A0A077Z8I5_TRITR Loading...

ATP binding cassette sub family A

AlphaFold DB , UniProt , Accession A0A077Z8I5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,666 aa.

>A0A077Z8I5_TRITR|A0A077Z8I5
MPSIGLFPMLQSYFCTLANPCIWEAIEDESTVPGRLNLTGFNNLLAAIRRDLQNDDFGNSVAVILNGVVVLTKTLLTVKQQKSYFEPVKIRKYWKPSVLYNESEIPKNLLLDLESCYLTRRFFLDALLRSLKKENFRHDFCNVSLFSEYVKFVGVTKAKTSGLQRAMCLHFPLEKVLNYERYPFQALALFENITGYSISLTGAIKVLEIAKTLERALNTLSNSYVWHSLLDYVAAYNEMSSQYDSAMESFDSVSFLLCGQRLLGFDEVLEKRTRAERLRELLIRSGSFTENKRNRLLLREDDIVANKSTKVVSDSECWEWLQSFKFPDRLTTQLFTLLRGFILVSPSTPIVKKMIDKWNRRLDPLEDFRSLFMFSFENVKNYSMIFEQSKLKKGLKILAQIYLTADSTLNLTSFLPLGLFYRRLSEYIASEKWKQFSYDDFAGNISHGYNLLRCFRSYRFRMVDTEKAMEEQAVCLSKFRMFFSGIVFNQLNKSSEALPNAVEYKIRMADFLVDQTSQIKDSFWNPRPRDRPFIDLKYTYFGFSFLQDIIDEQILLLLANDSTPVGIYVQQFPSSCHKLDLFSKSIKRTLPMFMILSWIFSVAMILRCLVSEKELHLKAFMRTMGVGSFANGLAWFVHFFTLLMTSAAMIILVLKCLLPQVAFGWGCTIISSFEQTALSLHWYEMFVPTLTGNHFGLSTVLIMLGIDTAVYLMVPWAELRKGSTMFFALFTASETWKNLNEGTESSESVNEEKVNLPVGISLTNLTKVFDNGEKGKRALNNLSVEFYDGQIACLSIVCNLFPPSHGSVLIYGKQIMASSNSVTQFIGYCPQHNVLFNDLTVKEHLHFYAGLKGADGNFSDDADDVEAILRDTSLECKVNELASSLSGGMKRRLSIAIAFIGRANVIVLDEPTTNVDPQSRRKIWDLLLRKRGTGRTILFSTHSFDEAEILSDRVALISHGQLKCCGSPSYLKGIYHPGYNLILQKADANKASTEKLSGIVKNYISDALVARVSTNELQFTLPGKVLEQLQPLIIGIGSQLKELNCLGYGLSECSIEQIFHHETGTDASKMVAENTRKDQGETAALVTSALGLRSLKYSSIFYERNYQQLFIDPMLYGNTTESFFRYGGFSVASPPEPYVELNSTKLHSTLALLQAASSSFLTNMELDLKALHPNVVLPSFSTESVQNILTDMRPKQNYKIWFNNQGWAALPAYMMALSNARLHAVLPFDGVPSDYGISVINHPMPQILDEAVQRWNEIRILNNLYDFPSATDRNLLDWDILGRPIVIMLIEGVASILLLLVIEHRGDRYKARLLFKRSPGQQRSSRETNESSPTEKEKVLPKPEEEEVMLKVLNLSKHYSKCFRTGRIVAVDGICFEVQRGECLGLLGPNGAGKTTIFKMITGEIKKSKGSVLLRFETGQSSGLQSPIGYCPQFDALNVHLTAKETLSLYAGIRGIEKRDRQNVVSACIRRLGLTEVADKLVKTYSGGFKRRLSAAVSLIGDPSLILFDEPTAGMDVKGKRLLWNTILDIVASGAAVLFTSNNMEECEILCNRVGILMSGKFFCLDTIQALKNRFGQGHRMMIKLQNCQSSQVHEMISYVLGKLPGCYLTDRNLTMAKFQLSKRRTALSEAIDCAINVKRHFKVETCSLNQNSLDDIFVQVTRSNE
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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
1M84.1Confident79.2Confident21 Ų2115.6 Ų15.610%0.1038%0.081CC..  0157.60-63.1-54.2-17400108.9S3 I4 F545 D548 I567 V569 L1210 M1214M1-S3 PolarHBondContact O-N 3.06Å; M1-I4 VanDerWaalsContact O-CG2 3.27Å; M1-I4 WeakPolarHBondContact O-CG2 3.32Å; M1-I4 PolarHBondContact O-N 3.5Å; M1-F545 HydrophobicContact CE-CE1 4.45Å; M1-F545 HydrophobicContact SD-CD1 3.56Å; M1-F545 VanDerWaalsContact SD-CD1 3.56Å; M1-F545 HydrophobicContact SD-CE1 3.64Å; M1-D548 VanDerWaalsContact C-OD2 3.31Å; M1-D548 HydrophobicContact CB-CB 3.89Å; M1-D548 WeakPolarHBondContact CB-OD2 3.37Å; M1-I567 HydrophobicContact CB-CB 4.39Å; M1-I567 HydrophobicContact CG-CG2 4.45Å; M1-I567 PolarHBondContact N-O 3Å; M1-V569 HydrophobicContact CE-CB 3.97Å; M1-V569 HydrophobicContact CE-CG1 4.1Å; M1-V569 HydrophobicContact CE-CG2 3.64Å; M1-V569 HydrophobicContact CG-CG2 3.99Å; M1-L1210 HydrophobicContact CE-CD1 4.48Å; M1-L1210 HydrophobicContact CE-CD2 4.15Å; M1-M1214 HydrophobicContact CG-SD 4.22Å
2P83.5Confident78.9Confident8 Ų819.1 Ų19.15%0.05211%0.108CC..G310 helixtrans-48.5-25.6-174.1-31.135.7000116.9I4 G5 L6 M9 F545 D548 I549P2-I4 PolarHBondContact O-N 2.92Å; P2-G5 CarbonylContact O-C 3.53Å; P2-G5 WeakPolarHBondContact O-CA 3.39Å; P2-G5 PolarHBondContact O-N 3.08Å; P2-L6 HydrophobicContact CB-CD2 4.35Å; P2-M9 HydrophobicContact CG-CG 4.28Å; P2-F545 HydrophobicContact CG-CB 3.82Å; P2-F545 HydrophobicContact CG-CD1 4.31Å; P2-F545 HydrophobicContact CG-CG 4.23Å; P2-D548 WeakPolarHBondContact CD-OD2 3.45Å; P2-I549 HydrophobicContact CB-CD1 3.85Å; P2-I549 HydrophobicContact CB-CG1 3.74Å; P2-I549 HydrophobicContact CG-CD1 3.95Å; P2-I549 HydrophobicContact CG-CG1 4.13Å
3S79Confident78.9Confident2 Ų219.7 Ų19.71%0.01411%0.108CC..G310 helixtrans-53.6-29.4171.9530000113.4M1 G5 D548 V565 I567 K1195M1-S3 PolarHBondContact O-N 3.06Å; S3-G5 VanDerWaalsContact C-N 3.31Å; S3-G5 PolarHBondContact O-N 3.48Å; S3-D548 WeakPolarHBondContact CB-OD1 3.49Å; S3-D548 WeakPolarHBondContact CB-OD2 3.41Å; S3-D548 PolarHBondContact N-OD2 3.23Å; S3-D548 VanDerWaalsContact OG-CG 3.27Å; S3-D548 PolarHBondContact OG-OD1 3.39Å; S3-D548 PolarHBondContact OG-OD2 3.35Å; S3-D548 VanDerWaalsContact OG-OD2 3.13Å; S3-V565 WeakPolarHBondContact CB-O 3.38Å; S3-I567 PolarHBondContact OG-N 3.5Å; S3-K1195 VanDerWaalsContact O-CD 3.27Å; S3-K1195 WeakPolarHBondContact O-CD 3.13Å; S3-K1195 PolarHBondContact O-NZ 2.83Å
4I77.6Confident78.7Confident9 Ų920.1 Ų20.15%0.04611%0.108CC..G310 helixtrans-68.6-30.4172.2-156.2176.7000112.9M1 P2 P8 L38 Y568 K1195M1-I4 VanDerWaalsContact O-CG2 3.27Å; M1-I4 WeakPolarHBondContact O-CG2 3.32Å; M1-I4 PolarHBondContact O-N 3.5Å; P2-I4 PolarHBondContact O-N 2.92Å; I4-P8 HydrophobicContact CG2-CB 4.03Å; I4-L38 HydrophobicContact CD1-CD1 4.35Å; I4-Y568 HydrophobicContact CD1-CD2 4.14Å; I4-Y568 HydrophobicContact CD1-CE1 4.29Å; I4-Y568 HydrophobicContact CD1-CE2 3.28Å; I4-Y568 VanDerWaalsContact CD1-OH 3.29Å; I4-Y568 WeakPolarHBondContact CD1-OH 3.46Å; I4-K1195 WeakPolarHBondContact O-CD 3.32Å; I4-K1195 WeakPolarHBondContact O-CE 3.22Å; I4-K1195 PolarHBondContact O-NZ 3.43Å
5G77.3Confident78.4Confident0 Ų020.9 Ų20.90%012%0.115CC..  trans131.8146.3-16500000110.6P2 S3 M9 D1191P2-G5 CarbonylContact O-C 3.53Å; P2-G5 WeakPolarHBondContact O-CA 3.39Å; P2-G5 PolarHBondContact O-N 3.08Å; S3-G5 VanDerWaalsContact C-N 3.31Å; S3-G5 PolarHBondContact O-N 3.48Å; G5-M9 WeakPolarHBondContact O-CB 3.47Å; G5-M9 PolarHBondContact O-N 3.27Å; G5-D1191 WeakPolarHBondContact CA-OD1 3.31Å
6L79.4Confident78.2Confident16 Ų1623.2 Ų23.28%0.08413%0.13CC..Hα-helixtrans-67.4-43176.8-69.8-176.7000113.1P2 M9 L10 R361 L362 L365 D1191P2-L6 HydrophobicContact CB-CD2 4.35Å; L6-M9 PolarHBondContact O-N 3.35Å; L6-L10 WeakPolarHBondContact O-CB 3.25Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 3.45Å; L6-R361 WeakPolarHBondContact CD1-O 3.5Å; L6-L362 HydrophobicContact CD1-CD2 4.09Å; L6-L365 HydrophobicContact CD1-CB 3.97Å; L6-L365 HydrophobicContact CD1-CD2 4.47Å; L6-D1191 WeakPolarHBondContact CA-OD2 3.44Å; L6-D1191 PolarHBondContact N-OD1 3.05Å; L6-D1191 PolarHBondContact N-OD2 3.4Å
7F77.8Confident78.1Confident18 Ų1822.2 Ų22.28%0.07912%0.124CC..Hα-helixtrans-64.6-47.7-178.4-74.5-77.3000112.6M9 L10 Q11 L45 P364 F368 I1188 D1191 M1192F7-M9 VanDerWaalsContact C-N 3.28Å; F7-M9 PolarHBondContact O-N 3.34Å; F7-L10 PolarHBondContact O-N 2.94Å; F7-Q11 WeakPolarHBondContact O-CB 3.36Å; F7-Q11 PolarHBondContact O-N 2.95Å; F7-L45 HydrophobicContact CB-CD2 4.19Å; F7-P364 HydrophobicContact CE2-CB 4.22Å; F7-F368 HydrophobicContact CE1-CB 4.28Å; F7-F368 HydrophobicContact CE1-CD1 4.09Å; F7-F368 HydrophobicContact CE1-CD2 4.34Å; F7-F368 AromaticContact CE1-CG 3.98Å; F7-F368 HydrophobicContact CE1-CG 3.98Å; F7-F368 HydrophobicContact CZ-CB 3.68Å; F7-F368 HydrophobicContact CZ-CD1 4.33Å; F7-F368 HydrophobicContact CZ-CD2 4.36Å; F7-F368 AromaticContact CZ-CG 3.88Å; F7-F368 HydrophobicContact CZ-CG 3.88Å; F7-I1188 HydrophobicContact CE2-CB 4.27Å; F7-I1188 HydrophobicContact CE2-CG1 4.17Å; F7-I1188 HydrophobicContact CE2-CG2 3.97Å; F7-I1188 HydrophobicContact CZ-CG1 4.3Å; F7-I1188 HydrophobicContact CZ-CG2 4.2Å; F7-D1191 HydrophobicContact CD2-CB 4.26Å; F7-D1191 VanDerWaalsContact CD2-OD2 3.32Å; F7-D1191 WeakPolarHBondContact CD2-OD2 3.4Å; F7-D1191 PolarHBondContact N-OD2 2.91Å; F7-M1192 HydrophobicContact CB-CG 3.96Å; F7-M1192 HydrophobicContact CD2-CG 4.46Å; F7-M1192 HydrophobicContact CG-CG 4.44Å
8P74.9Confident77.7Confident15 Ų1521.6 Ų21.610%0.09712%0.123CC..Hα-helixtrans-65.8-29.5173.1-17.730.6000113I4 S12 L38I4-P8 HydrophobicContact CG2-CB 4.03Å; P8-S12 VanDerWaalsContact O-CB 3.26Å; P8-S12 WeakPolarHBondContact O-CB 3.28Å; P8-S12 PolarHBondContact O-N 2.72Å; P8-L38 HydrophobicContact CB-CD2 4.22Å
9M82.3Confident77.8Confident25 Ų2522.8 Ų22.812%0.12313%0.129CC..Hα-helixtrans-69.2-43.7174.8169.9-89170.900112.1P2 G5 L6 F7 S12 Y13 F545P2-M9 HydrophobicContact CG-CG 4.28Å; G5-M9 WeakPolarHBondContact O-CB 3.47Å; G5-M9 PolarHBondContact O-N 3.27Å; L6-M9 PolarHBondContact O-N 3.35Å; F7-M9 VanDerWaalsContact C-N 3.28Å; F7-M9 PolarHBondContact O-N 3.34Å; M9-S12 PolarHBondContact O-N 3.19Å; M9-Y13 WeakPolarHBondContact O-CB 3.05Å; M9-Y13 PolarHBondContact O-N 2.95Å; M9-F545 HydrophobicContact CE-CD1 3.99Å; M9-F545 HydrophobicContact CE-CD2 3.42Å; M9-F545 VanDerWaalsContact CE-CD2 3.42Å; M9-F545 HydrophobicContact CE-CE1 3.77Å; M9-F545 HydrophobicContact CE-CE2 3.19Å; M9-F545 HydrophobicContact CE-CG 3.85Å; M9-F545 HydrophobicContact CE-CZ 3.38Å
10L78.2Confident77.3Confident46 Ų4625.5 Ų25.524%0.24115%0.147CC..Hα-helixtrans-65.8-44.6174.6-74.4171.5000111.1L6 F7 S12 Y13 F14 L365L6-L10 WeakPolarHBondContact O-CB 3.25Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 3.45Å; F7-L10 PolarHBondContact O-N 2.94Å; L10-S12 PolarHBondContact O-N 3.05Å; L10-Y13 WeakPolarHBondContact O-CB 3.08Å; L10-Y13 PolarHBondContact O-N 3.04Å; L10-Y13 VanDerWaalsContact O-N 3.17Å; L10-F14 VanDerWaalsContact O-CD2 3.28Å; L10-F14 WeakPolarHBondContact O-CD2 3.39Å; L10-F14 PolarHBondContact O-N 3.25Å; L10-L365 HydrophobicContact CD1-CD1 3.88Å; L10-L365 HydrophobicContact CD1-CD2 4.2Å
11Q76.8Confident76.9Confident12 Ų1227.2 Ų27.26%0.05616%0.16CC..Hα-helixtrans-53.9-54.1172178177.2-13.700110.5F7 Y13 F14 C15 N43 L257F7-Q11 WeakPolarHBondContact O-CB 3.36Å; F7-Q11 PolarHBondContact O-N 2.95Å; Q11-Y13 VanDerWaalsContact C-N 3.27Å; Q11-Y13 PolarHBondContact O-N 3.12Å; Q11-F14 PolarHBondContact O-N 2.88Å; Q11-C15 PolarHBondContact O-N 2.68Å; Q11-C15 PolarHBondContact O-SG 3.19Å; Q11-N43 VanDerWaalsContact CD-ND2 3.3Å; Q11-N43 PolarHBondContact NE2-ND2 3.22Å; Q11-N43 VanDerWaalsContact NE2-ND2 3.11Å; Q11-N43 PolarHBondContact OE1-ND2 3.44Å; Q11-L257 WeakPolarHBondContact CG-O 3.26Å; Q11-L257 PolarHBondContact NE2-O 3.19Å
12S76Confident76Confident57 Ų5731 Ų3140%0.39918%0.18SC..Hα-helixtrans-59-35.8177.7-175.50000113.1P8 M9 L10 T16P8-S12 VanDerWaalsContact O-CB 3.26Å; P8-S12 WeakPolarHBondContact O-CB 3.28Å; P8-S12 PolarHBondContact O-N 2.72Å; M9-S12 PolarHBondContact O-N 3.19Å; L10-S12 PolarHBondContact O-N 3.05Å; S12-T16 WeakPolarHBondContact O-CB 3.46Å; S12-T16 VanDerWaalsContact O-CG2 3.3Å; S12-T16 WeakPolarHBondContact O-CG2 3.39Å; S12-T16 PolarHBondContact O-N 3.47Å; S12-T16 PolarHBondContact O-OG1 2.81Å
13Y78.7Confident74.8Confident27 Ų2742 Ų4211%0.10622%0.22CC..Hα-helixtrans-65.7-50.1176.9-178.8-89000111.3M9 L10 Q11 T16 L17 Y540 F545M9-Y13 WeakPolarHBondContact O-CB 3.05Å; M9-Y13 PolarHBondContact O-N 2.95Å; L10-Y13 WeakPolarHBondContact O-CB 3.08Å; L10-Y13 PolarHBondContact O-N 3.04Å; L10-Y13 VanDerWaalsContact O-N 3.17Å; Q11-Y13 VanDerWaalsContact C-N 3.27Å; Q11-Y13 PolarHBondContact O-N 3.12Å; Y13-T16 PolarHBondContact O-N 2.04Å; Y13-T16 PolarHBondContact O-OG1 2.95Å; Y13-L17 HydrophobicContact CD1-CD2 4.46Å; Y13-L17 HydrophobicContact CE1-CD2 3.97Å; Y13-L17 PolarHBondContact O-N 3.32Å; Y13-Y540 AromaticContact CE2-CD1 3.88Å; Y13-Y540 HydrophobicContact CE2-CD1 3.88Å; Y13-F545 HydrophobicContact CD2-CE2 4.38Å; Y13-F545 HydrophobicContact CD2-CZ 4.17Å
14F76Confident73.7Confident25 Ų2549.7 Ų49.711%0.1126%0.256CS..Hα-helixtrans-65.6-45.6178.7-79.5-75.4000112.4L10 Q11 T16 L17 F250 V253 L257 L451L10-F14 VanDerWaalsContact O-CD2 3.28Å; L10-F14 WeakPolarHBondContact O-CD2 3.39Å; L10-F14 PolarHBondContact O-N 3.25Å; Q11-F14 PolarHBondContact O-N 2.88Å; F14-T16 PolarHBondContact O-N 3.27Å; F14-T16 VanDerWaalsContact O-N 3.14Å; F14-L17 HydrophobicContact CD1-CD1 3.66Å; F14-L17 HydrophobicContact CE1-CD1 4.28Å; F14-L17 WeakPolarHBondContact O-CG 3.43Å; F14-L17 PolarHBondContact O-N 3.47Å; F14-F250 HydrophobicContact CE1-CE1 4.43Å; F14-V253 HydrophobicContact CD1-CG1 4.09Å; F14-V253 HydrophobicContact CE1-CG1 4.17Å; F14-V253 HydrophobicContact CG-CG1 4.44Å; F14-L257 HydrophobicContact CB-CD1 3.83Å; F14-L257 HydrophobicContact CD2-CD1 3.5Å; F14-L257 HydrophobicContact CE2-CD1 4.29Å; F14-L257 HydrophobicContact CG-CD1 3.75Å; F14-L451 HydrophobicContact CZ-CD2 3.95Å
15C74.3Confident72.4Confident32 Ų3251.8 Ų51.822%0.21628%0.275CS..Hα-helixtrans-67.3-14-179.9-49.70000114Q11 F41 C258Q11-C15 PolarHBondContact O-N 2.68Å; Q11-C15 PolarHBondContact O-SG 3.19Å; C15-F41 HydrophobicContact CB-CE1 4.12Å; C15-F41 HydrophobicContact CB-CZ 4.07Å; C15-C258 WeakPolarHBondContact CA-SG 3.32Å; C15-C258 HydrophobicContact CB-CB 4.01Å; C15-C258 WeakPolarHBondContact CB-SG 3.25Å; C15-C258 WeakPolarHBondContact SG-CB 3.4Å; C15-C258 CovalentContact SG-SG 2.03Å; C15-C258 PolarHBondContact SG-SG 3.15Å
16T76.2Confident71.3Confident58 Ų5856 Ų5636%0.35630%0.296SS..THydrogen-bonded Turntrans-108.15.3178.658.90000114.2S12 Y13 F14 A18 N19 Y540S12-T16 WeakPolarHBondContact O-CB 3.46Å; S12-T16 VanDerWaalsContact O-CG2 3.3Å; S12-T16 WeakPolarHBondContact O-CG2 3.39Å; S12-T16 PolarHBondContact O-N 3.47Å; S12-T16 PolarHBondContact O-OG1 2.81Å; Y13-T16 PolarHBondContact O-N 2.04Å; Y13-T16 PolarHBondContact O-OG1 2.95Å; F14-T16 PolarHBondContact O-N 3.27Å; F14-T16 VanDerWaalsContact O-N 3.14Å; T16-A18 PolarHBondContact O-N 2.82Å; T16-A18 VanDerWaalsContact O-N 3.1Å; T16-N19 PolarHBondContact O-N 2.82Å; T16-Y540 PolarHBondContact O-OH 3.45Å
17L76.5Confident69.7Low6 Ų662.5 Ų62.53%0.03133%0.326CS..THydrogen-bonded Turntrans-53.2-35.2-175.8-80.9170.3000114.9Y13 F14 F250 L262 F265 F533Y13-L17 HydrophobicContact CD1-CD2 4.46Å; Y13-L17 HydrophobicContact CE1-CD2 3.97Å; Y13-L17 PolarHBondContact O-N 3.32Å; F14-L17 HydrophobicContact CD1-CD1 3.66Å; F14-L17 HydrophobicContact CE1-CD1 4.28Å; F14-L17 WeakPolarHBondContact O-CG 3.43Å; F14-L17 PolarHBondContact O-N 3.47Å; L17-F250 HydrophobicContact CD1-CD1 4.41Å; L17-L262 HydrophobicContact CB-CD2 4.09Å; L17-L262 HydrophobicContact CD1-CD1 4.42Å; L17-F265 HydrophobicContact CB-CD2 4.25Å; L17-F265 HydrophobicContact CB-CE2 4.02Å; L17-F533 HydrophobicContact CD2-CE1 4.38Å; L17-F533 HydrophobicContact CD2-CZ 3.85Å
18A70.9Confident68.4Low12 Ų1264.4 Ų64.410%0.09934%0.337CS..THydrogen-bonded Turntrans-84-21178.400000114.1T16T16-A18 PolarHBondContact O-N 2.82Å; T16-A18 VanDerWaalsContact O-N 3.1Å
19N78.2Confident67.1Low45 Ų4565.4 Ų65.424%0.24134%0.341CS..  trans36.958.4-170.8-166.756000114.1T16 D530 Q571T16-N19 PolarHBondContact O-N 2.82Å; N19-D530 PolarHBondContact ND2-O 3.36Å; N19-Q571 PolarHBondContact ND2-NE2 3.27Å; N19-Q571 PolarHBondContact OD1-NE2 3.25Å
20P68.5Low65Low76 Ų7666.1 Ų66.149%0.49435%0.348SS..  trans-68146.7-173.729.4-35.6000112.5I22P20-I22 HydrophobicContact CG-CD1 4.43Å; P20-I22 HydrophobicContact CG-CG1 4.22Å; P20-I22 PolarHBondContact O-N 3.26Å; P20-I22 VanDerWaalsContact O-N 3.15Å
21C69.8Low63Low61 Ų6170.1 Ų70.141%0.41238%0.375SS..  trans-81.492.4174.3-152.70000109.4C576C21-C576 HydrophobicContact CB-CB 4.03Å; C21-C576 WeakPolarHBondContact CB-SG 3.37Å; C21-C576 WeakPolarHBondContact SG-CB 2.94Å; C21-C576 CovalentContact SG-SG 2.04Å; C21-C576 PolarHBondContact SG-SG 3.11Å
22I65.1Low60.9Low102 Ų10273.7 Ų73.752%0.52340%0.397SS..  trans-82.2136.8-178.7-52.3171.7000109.1P20 E24 I26P20-I22 HydrophobicContact CG-CD1 4.43Å; P20-I22 HydrophobicContact CG-CG1 4.22Å; P20-I22 PolarHBondContact O-N 3.26Å; P20-I22 VanDerWaalsContact O-N 3.15Å; I22-E24 VanDerWaalsContact CG2-O 3.29Å; I22-E24 WeakPolarHBondContact CG2-O 3.41Å; I22-I26 HydrophobicContact CD1-CD1 4Å; I22-I26 HydrophobicContact CD1-CG1 4.3Å
23W58.5Low59Low237 Ų23777.3 Ų77.390%0.89842%0.419SS*.SBendtrans-87.1-13.6-174.5-7156.5000113.9
24E54.5Low57.2Low165 Ų16577 Ų7777%0.77142%0.424SS*.SBendtrans-120.9139.7175.4-64.5-173.1146.200109.5I22 I26I22-E24 VanDerWaalsContact CG2-O 3.29Å; I22-E24 WeakPolarHBondContact CG2-O 3.41Å; E24-I26 PolarHBondContact O-N 3.46Å
25A51.7Low55.4Low52 Ų5284 Ų8443%0.4345%0.45SS..  trans-69.9129.3179.800000110.8E29A25-E29 HydrophobicContact CB-CB 4.08Å
26I52.7Low54.1Low90 Ų9084.1 Ų84.146%0.46245%0.448SS..  trans-60.4157.8179.8-56.9170.6000109.8I22 E24 D28 E29 S30I22-I26 HydrophobicContact CD1-CD1 4Å; I22-I26 HydrophobicContact CD1-CG1 4.3Å; E24-I26 PolarHBondContact O-N 3.46Å; I26-D28 PolarHBondContact O-N 2.93Å; I26-D28 VanDerWaalsContact O-N 3.16Å; I26-E29 WeakPolarHBondContact O-CA 3.36Å; I26-E29 WeakPolarHBondContact O-CB 3.31Å; I26-E29 PolarHBondContact O-N 3.29Å; I26-S30 PolarHBondContact O-N 2.81Å; I26-S30 PolarHBondContact O-OG 3.45Å
27E46.5Very low52.5Low152 Ų15283.3 Ų83.371%0.7144%0.441SS*.G310 helixtrans-53.1-35.7176-66.7-162.1153.700113.2E29 S30E27-E29 PolarHBondContact O-N 2.88Å; E27-S30 PolarHBondContact O-N 3.09Å; E27-S30 VanDerWaalsContact O-N 3.1Å
28D49.3Very low51.2Low58 Ų5885.1 Ų85.131%0.3145%0.451SS..G310 helixtrans-65.2-1.2173-83.4-36.4000114.7I26 N37 K1199I26-D28 PolarHBondContact O-N 2.93Å; I26-D28 VanDerWaalsContact O-N 3.16Å; D28-N37 PolarHBondContact OD1-N 3.49Å; D28-K1199 PolarHBondContact O-NZ 2.88Å
29E47.7Very low50Low36 Ų3687.9 Ų87.917%0.16847%0.466CS..G310 helixtrans-117.6-5.4175.1-59.5-165.8126.200113.4A25 I26 E27 Q570 S1099A25-E29 HydrophobicContact CB-CB 4.08Å; I26-E29 WeakPolarHBondContact O-CA 3.36Å; I26-E29 WeakPolarHBondContact O-CB 3.31Å; I26-E29 PolarHBondContact O-N 3.29Å; E27-E29 PolarHBondContact O-N 2.88Å; E29-Q570 PolarHBondContact OE1-NE2 3.13Å; E29-S1099 WeakPolarHBondContact O-CB 3.23Å; E29-S1099 PolarHBondContact O-OG 3.38Å
30S39.7Very low48.6Very low40 Ų4088.5 Ų88.528%0.2848%0.483SS..SBendtrans-125.1141.4-166.160.70000116I26 E27 V32I26-S30 PolarHBondContact O-N 2.81Å; I26-S30 PolarHBondContact O-OG 3.45Å; E27-S30 PolarHBondContact O-N 3.09Å; E27-S30 VanDerWaalsContact O-N 3.1Å; S30-V32 PolarHBondContact O-N 3.21Å
31T34.5Very low48Very low130 Ų13087.8 Ų87.880%0.79847%0.473SS*.SBendtrans67.1-44.316771.50000121.2
32V34.6Very low47.4Very low87 Ų8790.2 Ų90.253%0.52748%0.482SS..  trans-131.6119.4-170.3-172.70000114.5S30 G34S30-V32 PolarHBondContact O-N 3.21Å; V32-G34 PolarHBondContact O-N 3.49Å
33P35.5Very low47.4Very low132 Ų13285.6 Ų85.686%0.85746%0.458SS*.THydrogen-bonded Turntrans-69.6113.217229.4-32.9000110.7
34G40.1Very low47.9Very low20 Ų2076.3 Ų76.321%0.20643%0.426CS..THydrogen-bonded Turntrans133.7-22176.200000114.8V32 L36 P1135V32-G34 PolarHBondContact O-N 3.49Å; G34-L36 PolarHBondContact O-N 3.26Å; G34-P1135 WeakPolarHBondContact O-CD 3.36Å
35R39.4Very low48.4Very low173 Ų17370.2 Ų70.265%0.65340%0.398SS*.  trans-86.686.5170.8-76.6-173.9174.7-179.5-0.8110.5
36L46Very low49Very low35 Ų3568.6 Ų68.618%0.18339%0.385CS..  trans-96.990.8161.9-94.3164.2000107.9G34 L38 Y568 A1132 N1197G34-L36 PolarHBondContact O-N 3.26Å; L36-L38 PolarHBondContact O-N 3.09Å; L36-Y568 HydrophobicContact CD2-CD2 4.47Å; L36-Y568 HydrophobicContact CD2-CE2 4.49Å; L36-A1132 HydrophobicContact CD1-CB 4.19Å; L36-N1197 HydrophobicContact CD1-CB 3.84Å
37N43.7Very low49.8Very low40 Ų4064.3 Ų64.321%0.21436%0.363CS..  trans-96.786.5-165.3-94.1-0.2000111.6D28 T39 G40D28-N37 PolarHBondContact OD1-N 3.49Å; N37-T39 WeakPolarHBondContact CB-OG1 3.46Å; N37-T39 VanDerWaalsContact CG-OG1 3.22Å; N37-T39 PolarHBondContact ND2-OG1 2.66Å; N37-T39 PolarHBondContact O-N 2.89Å; N37-G40 PolarHBondContact O-N 3.23Å
38L48.3Very low50.8Low45 Ų4559.7 Ų59.724%0.23634%0.342CS..G310 helixtrans-51-16.2155.8-82.2166.8000113I4 P8 L36 G40 Y568I4-L38 HydrophobicContact CD1-CD1 4.35Å; P8-L38 HydrophobicContact CB-CD2 4.22Å; L36-L38 PolarHBondContact O-N 3.09Å; L38-G40 VanDerWaalsContact C-N 3.31Å; L38-Y568 WeakPolarHBondContact CD2-OH 3.25Å; L38-Y568 VanDerWaalsContact CG-OH 3.3Å; L38-Y568 WeakPolarHBondContact CG-OH 3.21Å
39T45.9Very low51.6Low69 Ų6959.5 Ų59.542%0.42334%0.337SS..G310 helixtrans-78.8-2.8174.265.10000114.7N37 F41N37-T39 WeakPolarHBondContact CB-OG1 3.46Å; N37-T39 VanDerWaalsContact CG-OG1 3.22Å; N37-T39 PolarHBondContact ND2-OG1 2.66Å; N37-T39 PolarHBondContact O-N 2.89Å; T39-F41 VanDerWaalsContact C-N 3.26Å; T39-F41 PolarHBondContact O-N 3.32Å
40G48.2Very low52.5Low58 Ų5861.2 Ų61.260%0.59834%0.342SS*.G310 helixtrans-65.4-29.5175.200000112.9N37 L38 N42N37-G40 PolarHBondContact O-N 3.23Å; L38-G40 VanDerWaalsContact C-N 3.31Å; G40-N42 PolarHBondContact O-N 3.46Å
41F55.4Low54Low61 Ų6159.5 Ų59.527%0.26833%0.33SS..SBendtrans-85.8107.6171.1-56.9-72.2000110.1C15 T39 N43 C258C15-F41 HydrophobicContact CB-CE1 4.12Å; C15-F41 HydrophobicContact CB-CZ 4.07Å; T39-F41 VanDerWaalsContact C-N 3.26Å; T39-F41 PolarHBondContact O-N 3.32Å; F41-N43 HydrophobicContact CB-CB 4.47Å; F41-N43 PolarHBondContact O-N 3.32Å; F41-C258 HydrophobicContact CD1-CB 4.22Å; F41-C258 WeakPolarHBondContact CD1-O 3.32Å; F41-C258 HydrophobicContact CE1-CB 4.36Å
42N57.2Low55.4Low112 Ų11255.4 Ų55.460%0.59930%0.303SS*.  trans-78.479.3164.5-81.2-38.3000109G40 R50G40-N42 PolarHBondContact O-N 3.46Å; N42-R50 PolarHBondContact OD1-NH1 2.94Å; N42-R50 PolarHBondContact OD1-NH2 3.14Å; N42-R50 VanDerWaalsContact OD1-NH2 3.08Å
43N66Low56.8Low5 Ų555.6 Ų55.63%0.02730%0.298CS..  trans-114.8168.8-178.870.1-5.8000111.9Q11 F41 L45 A46 A47 L257Q11-N43 VanDerWaalsContact CD-ND2 3.3Å; Q11-N43 PolarHBondContact NE2-ND2 3.22Å; Q11-N43 VanDerWaalsContact NE2-ND2 3.11Å; Q11-N43 PolarHBondContact OE1-ND2 3.44Å; F41-N43 HydrophobicContact CB-CB 4.47Å; F41-N43 PolarHBondContact O-N 3.32Å; N43-L45 PolarHBondContact O-N 3.38Å; N43-L45 PolarHBondContact OD1-N 3.13Å; N43-A46 PolarHBondContact O-N 2.81Å; N43-A46 WeakPolarHBondContact OD1-CB 3.48Å; N43-A46 PolarHBondContact OD1-N 2.8Å; N43-A47 PolarHBondContact O-N 3.06Å; N43-A47 VanDerWaalsContact O-N 3.12Å; N43-L257 PolarHBondContact ND2-O 2.99Å
44L68.2Low58.3Low43 Ų4352.6 Ų52.623%0.22528%0.275CS..Hα-helixtrans-59-32.4177.5-175.165.5000112.5A47 I48 V225 L229 L256L44-A47 WeakPolarHBondContact O-CB 3.43Å; L44-A47 PolarHBondContact O-N 3.25Å; L44-I48 HydrophobicContact CG-CD1 4.12Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.41Å; L44-I48 PolarHBondContact O-N 3.48Å; L44-V225 HydrophobicContact CD1-CG1 4.2Å; L44-L229 HydrophobicContact CD1-CB 4.44Å; L44-L256 HydrophobicContact CB-CD1 4.36Å; L44-L256 HydrophobicContact CD2-CD1 3.7Å
45L66.7Low59.4Low36 Ų3655.6 Ų55.619%0.18829%0.286CS..Hα-helixtrans-70.8-42.1-177.2-150.675.5000112.5F7 N43 A47 I48 R49 M1192F7-L45 HydrophobicContact CB-CD2 4.19Å; N43-L45 PolarHBondContact O-N 3.38Å; N43-L45 PolarHBondContact OD1-N 3.13Å; L45-A47 VanDerWaalsContact C-N 3.31Å; L45-I48 PolarHBondContact O-N 2.92Å; L45-R49 PolarHBondContact O-N 2.86Å; L45-R49 VanDerWaalsContact O-N 3.08Å; L45-M1192 HydrophobicContact CD1-SD 4.08Å; L45-M1192 HydrophobicContact CD2-SD 3.91Å; L45-M1192 HydrophobicContact CG-SD 3.71Å
46A64.3Low60.9Low18 Ų1852 Ų5215%0.14928%0.28CS..Hα-helixtrans-65.7-35.9171.600000111.3N43 R49 R50N43-A46 PolarHBondContact O-N 2.81Å; N43-A46 WeakPolarHBondContact OD1-CB 3.48Å; N43-A46 PolarHBondContact OD1-N 2.8Å; A46-R49 PolarHBondContact O-N 2.92Å; A46-R50 VanDerWaalsContact O-CG 3.26Å; A46-R50 WeakPolarHBondContact O-CG 3.36Å; A46-R50 PolarHBondContact O-N 3.47Å
47A68.5Low62.1Low0 Ų052 Ų520%028%0.279CS..Hα-helixtrans-63.3-47.817500000112.4N43 L44 L45 R49 R50 D51 V225 S228N43-A47 PolarHBondContact O-N 3.06Å; N43-A47 VanDerWaalsContact O-N 3.12Å; L44-A47 WeakPolarHBondContact O-CB 3.43Å; L44-A47 PolarHBondContact O-N 3.25Å; L45-A47 VanDerWaalsContact C-N 3.31Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 3.36Å; A47-R50 PolarHBondContact O-N 2.9Å; A47-D51 PolarHBondContact O-N 3.22Å; A47-V225 HydrophobicContact CB-CG2 4.28Å; A47-S228 WeakPolarHBondContact CB-OG 3.42Å
48I68.8Low63.3Low55 Ų5550.1 Ų50.128%0.28227%0.269SS..Hα-helixtrans-55.7-44.7173.6-70.6165.9000110.7L44 L45 D51 L52 V225L44-I48 HydrophobicContact CG-CD1 4.12Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.41Å; L44-I48 PolarHBondContact O-N 3.48Å; L45-I48 PolarHBondContact O-N 2.92Å; I48-D51 PolarHBondContact O-N 2.85Å; I48-L52 HydrophobicContact CG2-CD1 3.75Å; I48-L52 WeakPolarHBondContact O-CB 3.49Å; I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 2.98Å; I48-V225 VanDerWaalsContact CA-CG2 3.44Å; I48-V225 HydrophobicContact CB-CG2 4.19Å; I48-V225 HydrophobicContact CG1-CG2 3.68Å
49R65.8Low64.5Low54 Ų5452 Ų5220%0.20428%0.279CS..Hα-helixtrans-65.9-38.8178.4178.4168.6153.6-173.1-17.7112.9L45 A46 A47 Q53 M1192L45-R49 PolarHBondContact O-N 2.86Å; L45-R49 VanDerWaalsContact O-N 3.08Å; A46-R49 PolarHBondContact O-N 2.92Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 3.36Å; R49-Q53 WeakPolarHBondContact O-CG 3.29Å; R49-Q53 PolarHBondContact O-N 2.79Å; R49-Q53 PolarHBondContact O-OE1 2.72Å; R49-M1192 PolarHBondContact NH1-O 3.46Å
50R66.6Low65.8Low73 Ų7349.3 Ų49.328%0.27526%0.263SS..Hα-helixtrans-66.5-42.8176.5-70.7169.6-167.2167.26.5111.8N42 A46 A47 Q53 Y224N42-R50 PolarHBondContact OD1-NH1 2.94Å; N42-R50 PolarHBondContact OD1-NH2 3.14Å; N42-R50 VanDerWaalsContact OD1-NH2 3.08Å; A46-R50 VanDerWaalsContact O-CG 3.26Å; A46-R50 WeakPolarHBondContact O-CG 3.36Å; A46-R50 PolarHBondContact O-N 3.47Å; A47-R50 PolarHBondContact O-N 2.9Å; R50-Q53 PolarHBondContact O-N 3.37Å; R50-Y224 HydrophobicContact CB-CD2 3.44Å; R50-Y224 VanDerWaalsContact CB-CD2 3.44Å; R50-Y224 HydrophobicContact CB-CE2 3.9Å; R50-Y224 HydrophobicContact CB-CG 3.94Å; R50-Y224 HydrophobicContact CG-CD2 4.37Å
51D69.7Low67Low4 Ų447.9 Ų47.92%0.02124%0.242CC..Hα-helixtrans-70.5-38.8179.6-79.3-12.9000112.9A47 I48 Q53 N54 S223 Y224 V225A47-D51 PolarHBondContact O-N 3.22Å; I48-D51 PolarHBondContact O-N 2.85Å; D51-Q53 PolarHBondContact O-N 2.84Å; D51-N54 WeakPolarHBondContact O-CB 3.43Å; D51-N54 PolarHBondContact O-N 2.98Å; D51-S223 WeakPolarHBondContact OD2-CA 3.37Å; D51-S223 WeakPolarHBondContact OD2-CB 3.41Å; D51-S223 PolarHBondContact OD2-OG 3.34Å; D51-Y224 VanDerWaalsContact CG-N 3.33Å; D51-Y224 WeakPolarHBondContact OD1-CD2 3.31Å; D51-Y224 PolarHBondContact OD1-N 3.14Å; D51-Y224 PolarHBondContact OD2-N 3.16Å; D51-V225 HydrophobicContact CB-CG2 4.2Å; D51-V225 WeakPolarHBondContact OD2-CB 3.43Å; D51-V225 VanDerWaalsContact OD2-CG2 3.28Å; D51-V225 WeakPolarHBondContact OD2-CG2 3.46Å; D51-V225 PolarHBondContact OD2-N 3.26Å
52L64.7Low67.9Low44 Ų4445.4 Ų45.423%0.2323%0.233CC..Hα-helixtrans-72.8-11.5175.6-70.1170.9000113.8I48 L1189I48-L52 HydrophobicContact CG2-CD1 3.75Å; I48-L52 WeakPolarHBondContact O-CB 3.49Å; I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 2.98Å; L52-L1189 HydrophobicContact CD1-CD1 3.91Å; L52-L1189 HydrophobicContact CD1-CD2 3.52Å; L52-L1189 HydrophobicContact CD1-CG 4.36Å
53Q63.2Low69Low90 Ų9042.9 Ų42.942%0.42122%0.222SC..THydrogen-bonded Turntrans-84.7-8.6168.4-76.5176.1-46.400113.1R49 R50 D51 L1141R49-Q53 WeakPolarHBondContact O-CG 3.29Å; R49-Q53 PolarHBondContact O-N 2.79Å; R49-Q53 PolarHBondContact O-OE1 2.72Å; R50-Q53 PolarHBondContact O-N 3.37Å; D51-Q53 PolarHBondContact O-N 2.84Å; Q53-L1141 HydrophobicContact CG-CD1 4.06Å; Q53-L1141 HydrophobicContact CG-CD2 4.43Å; Q53-L1141 HydrophobicContact CG-CG 4.44Å
54N67.5Low69.5Low69 Ų6943.9 Ų43.937%0.36923%0.227SC..  trans-88109.4179.7-174.5-5.4000111.1D51 D56 F57D51-N54 WeakPolarHBondContact O-CB 3.43Å; D51-N54 PolarHBondContact O-N 2.98Å; N54-D56 PolarHBondContact O-N 3.19Å; N54-D56 VanDerWaalsContact O-N 3.15Å; N54-D56 PolarHBondContact OD1-N 3.03Å; N54-F57 HydrophobicContact CB-CB 4.09Å; N54-F57 WeakPolarHBondContact O-CB 3.47Å; N54-F57 PolarHBondContact O-N 3.26Å
55D64.3Low69.9Low84 Ų8443.3 Ų43.345%0.44922%0.224SC..Hα-helixtrans-52.5-35.2-179.9-80.4-11.1000113.9N59 K1145D55-N59 PolarHBondContact O-ND2 3.17Å; D55-K1145 WeakPolarHBondContact OD1-CE 3.49Å; D55-K1145 IonicContact OD1-NZ 3.9Å; D55-K1145 PolarHBondContact OD1-NZ 2.92Å; D55-K1145 IonicContact OD2-NZ 3.26Å; D55-K1145 PolarHBondContact OD2-NZ 3.04Å
56D69.5Low70.5Confident96 Ų9644.8 Ų44.851%0.51323%0.232SC..Hα-helixtrans-76.6-23.3-178.3-74.6-33.8000112.5N54 S60 T219N54-D56 PolarHBondContact O-N 3.19Å; N54-D56 VanDerWaalsContact O-N 3.15Å; N54-D56 PolarHBondContact OD1-N 3.03Å; D56-S60 WeakPolarHBondContact O-CB 3.43Å; D56-S60 PolarHBondContact O-N 2.99Å; D56-S60 PolarHBondContact O-OG 2.72Å; D56-T219 HydrophobicContact CB-CG2 4.03Å
57F72.1Confident71.1Confident37 Ų3744.2 Ų44.216%0.16223%0.228CC..Hα-helixtrans-63.1-55.1-172.6179.5-98.5000112.1N54 N59 S60 V61 L220N54-F57 HydrophobicContact CB-CB 4.09Å; N54-F57 WeakPolarHBondContact O-CB 3.47Å; N54-F57 PolarHBondContact O-N 3.26Å; F57-N59 PolarHBondContact O-N 3.36Å; F57-S60 PolarHBondContact O-N 2.84Å; F57-V61 HydrophobicContact CE1-CG2 4.24Å; F57-V61 HydrophobicContact CE2-CG2 4.32Å; F57-V61 HydrophobicContact CZ-CG2 4.13Å; F57-V61 WeakPolarHBondContact O-CG2 3.22Å; F57-V61 PolarHBondContact O-N 3.23Å; F57-L220 HydrophobicContact CD2-CD1 4.49Å; F57-L220 HydrophobicContact CE2-CD1 3.91Å
58G68.2Low71.5Confident0 Ų045.7 Ų45.70%024%0.237CC..Hα-helixtrans-62.9-44.2-177.800000112.9S60 V61 A62 L1152G58-S60 VanDerWaalsContact C-N 3.35Å; G58-S60 PolarHBondContact O-N 3.21Å; G58-V61 PolarHBondContact O-N 2.91Å; G58-A62 PolarHBondContact O-N 2.95Å; G58-L1152 WeakPolarHBondContact O-CD2 3.06Å
59N73.3Confident72.1Confident84 Ų8443.4 Ų43.445%0.44923%0.225SC..Hα-helixtrans-59.1-45.2174.8-72-58.4000111.6D55 F57 A62 V63D55-N59 PolarHBondContact O-ND2 3.17Å; F57-N59 PolarHBondContact O-N 3.36Å; N59-A62 PolarHBondContact O-N 3.38Å; N59-V63 WeakPolarHBondContact O-CG2 3.29Å; N59-V63 PolarHBondContact O-N 3.07Å
60S74.8Confident72.7Confident13 Ų1343.4 Ų43.49%0.09123%0.231CC..Hα-helixtrans-64.1-44.9178.8-620000112.1D56 F57 G58 A62 V63 I64 A216 T219D56-S60 WeakPolarHBondContact O-CB 3.43Å; D56-S60 PolarHBondContact O-N 2.99Å; D56-S60 PolarHBondContact O-OG 2.72Å; F57-S60 PolarHBondContact O-N 2.84Å; G58-S60 VanDerWaalsContact C-N 3.35Å; G58-S60 PolarHBondContact O-N 3.21Å; S60-A62 VanDerWaalsContact C-N 3.33Å; S60-A62 PolarHBondContact O-N 2.88Å; S60-V63 PolarHBondContact O-N 2.9Å; S60-I64 WeakPolarHBondContact O-CG1 3.43Å; S60-I64 PolarHBondContact O-N 3.28Å; S60-A216 WeakPolarHBondContact O-CB 3.15Å; S60-T219 WeakPolarHBondContact CB-OG1 3.41Å; S60-T219 PolarHBondContact OG-OG1 3.07Å
61V73.3Confident73.2Confident27 Ų2741 Ų4116%0.16422%0.224CC..Hα-helixtrans-61.1-41.6176.3172.20000111.2F57 G58 I64 L65 L220 L1153F57-V61 HydrophobicContact CE1-CG2 4.24Å; F57-V61 HydrophobicContact CE2-CG2 4.32Å; F57-V61 HydrophobicContact CZ-CG2 4.13Å; F57-V61 WeakPolarHBondContact O-CG2 3.22Å; F57-V61 PolarHBondContact O-N 3.23Å; G58-V61 PolarHBondContact O-N 2.91Å; V61-I64 PolarHBondContact O-N 3.45Å; V61-L65 HydrophobicContact CG1-CD1 3.78Å; V61-L65 HydrophobicContact CG1-CG 4.33Å; V61-L65 WeakPolarHBondContact O-CB 3.38Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.29Å; V61-L65 PolarHBondContact O-N 3.33Å; V61-L220 HydrophobicContact CG2-CD1 3.82Å; V61-L1153 HydrophobicContact CB-CD2 3.64Å; V61-L1153 HydrophobicContact CG1-CD2 3.45Å; V61-L1153 VanDerWaalsContact CG1-CD2 3.45Å; V61-L1153 HydrophobicContact CG2-CD2 4.46Å
62A74.3Confident73.5Confident10 Ų1041 Ų418%0.08322%0.224CC..Hα-helixtrans-67.2-35.717600000113.5G58 N59 S60 N66 L1152 A1156G58-A62 PolarHBondContact O-N 2.95Å; N59-A62 PolarHBondContact O-N 3.38Å; S60-A62 VanDerWaalsContact C-N 3.33Å; S60-A62 PolarHBondContact O-N 2.88Å; A62-N66 WeakPolarHBondContact O-CB 3.24Å; A62-N66 PolarHBondContact O-N 2.7Å; A62-N66 VanDerWaalsContact O-N 3.13Å; A62-N66 PolarHBondContact O-ND2 2.7Å; A62-L1152 HydrophobicContact CB-CD2 3.47Å; A62-L1152 VanDerWaalsContact CB-CD2 3.47Å; A62-L1152 HydrophobicContact CB-CG 3.92Å; A62-A1156 HydrophobicContact CB-CB 3.67Å
63V79.8Confident74.2Confident58 Ų5843.8 Ų43.835%0.35223%0.234SC..Hα-helixtrans-65.7-41.5172.4168.10000111N59 S60 G67 T212 A216N59-V63 WeakPolarHBondContact O-CG2 3.29Å; N59-V63 PolarHBondContact O-N 3.07Å; S60-V63 PolarHBondContact O-N 2.9Å; V63-G67 WeakPolarHBondContact O-CA 3.09Å; V63-G67 PolarHBondContact O-N 2.65Å; V63-T212 WeakPolarHBondContact CG1-O 3.15Å; V63-A216 HydrophobicContact CB-CB 4.14Å; V63-A216 HydrophobicContact CG1-CB 3.91Å
64I75.3Confident74.7Confident27 Ų2740 Ų4014%0.13822%0.218CC..Hα-helixtrans-60.6-54.6174.2-71.2163.3000110.7S60 V61 N66 G67 V68 L213 A216 L217 L220S60-I64 WeakPolarHBondContact O-CG1 3.43Å; S60-I64 PolarHBondContact O-N 3.28Å; V61-I64 PolarHBondContact O-N 3.45Å; I64-N66 PolarHBondContact O-N 3.34Å; I64-G67 PolarHBondContact O-N 3.01Å; I64-V68 HydrophobicContact CG2-CG2 4.16Å; I64-V68 WeakPolarHBondContact O-CB 3.43Å; I64-V68 VanDerWaalsContact O-CG2 3.29Å; I64-V68 WeakPolarHBondContact O-CG2 3.23Å; I64-V68 PolarHBondContact O-N 3.26Å; I64-L213 HydrophobicContact CB-CD2 4.47Å; I64-L213 HydrophobicContact CG1-CD2 4.35Å; I64-A216 HydrophobicContact CD1-CB 4.15Å; I64-A216 WeakPolarHBondContact CD1-O 3.31Å; I64-A216 HydrophobicContact CG1-CB 3.76Å; I64-L217 HydrophobicContact CD1-CD2 4.44Å; I64-L220 HydrophobicContact CD1-CB 4.33Å; I64-L220 HydrophobicContact CD1-CD2 4.06Å
65L77Confident75.1Confident30 Ų3037.2 Ų37.216%0.15720%0.202CC..Hα-helixtrans-59.7-48.3-174.5-71.3168.3000111.6V61 V69 A1156 F1160V61-L65 HydrophobicContact CG1-CD1 3.78Å; V61-L65 HydrophobicContact CG1-CG 4.33Å; V61-L65 WeakPolarHBondContact O-CB 3.38Å; V61-L65 VanDerWaalsContact O-CG 3.27Å; V61-L65 WeakPolarHBondContact O-CG 3.29Å; V61-L65 PolarHBondContact O-N 3.33Å; L65-V69 WeakPolarHBondContact O-CG2 3.21Å; L65-V69 PolarHBondContact O-N 3.33Å; L65-V69 VanDerWaalsContact O-N 3.09Å; L65-A1156 HydrophobicContact CB-CB 4.16Å; L65-A1156 HydrophobicContact CD1-CB 3.82Å; L65-F1160 HydrophobicContact CB-CB 4.19Å; L65-F1160 HydrophobicContact CB-CD2 4.25Å; L65-F1160 HydrophobicContact CD2-CB 3.87Å; L65-F1160 HydrophobicContact CD2-CD1 3.99Å; L65-F1160 HydrophobicContact CD2-CD2 3.6Å; L65-F1160 HydrophobicContact CD2-CE1 4.39Å; L65-F1160 HydrophobicContact CD2-CE2 4.03Å; L65-F1160 HydrophobicContact CD2-CG 3.57Å; L65-F1160 HydrophobicContact CD2-CZ 4.41Å
66N79.3Confident75.7Confident68 Ų6836.7 Ų36.736%0.36420%0.199SC..Hα-helixtrans-69.1-38177-70.3-63.7000112.4A62 I64 V69 V70 S1159A62-N66 WeakPolarHBondContact O-CB 3.24Å; A62-N66 PolarHBondContact O-N 2.7Å; A62-N66 VanDerWaalsContact O-N 3.13Å; A62-N66 PolarHBondContact O-ND2 2.7Å; I64-N66 PolarHBondContact O-N 3.34Å; N66-V69 PolarHBondContact O-N 2.77Å; N66-V70 PolarHBondContact O-N 3.35Å; N66-V70 VanDerWaalsContact O-N 3.08Å; N66-S1159 PolarHBondContact OD1-OG 3.47Å
67G77.2Confident76Confident6 Ų636.3 Ų36.36%0.06220%0.201CC..Hα-helixtrans-59.2-48.917500000112V63 I64 V69 V70 L71 I209V63-G67 WeakPolarHBondContact O-CA 3.09Å; V63-G67 PolarHBondContact O-N 2.65Å; I64-G67 PolarHBondContact O-N 3.01Å; G67-V69 VanDerWaalsContact C-N 3.34Å; G67-V69 PolarHBondContact O-N 3.22Å; G67-V70 PolarHBondContact O-N 3.28Å; G67-L71 WeakPolarHBondContact O-CB 3.2Å; G67-L71 PolarHBondContact O-N 2.87Å; G67-I209 WeakPolarHBondContact O-CG2 3.49Å
68V77.9Confident75.9Confident30 Ų3035.9 Ų35.918%0.18220%0.201CC..Hα-helixtrans-65.7-34.6178.4-179.60000111.5I64 T72 L213 L391 F1160 M1164I64-V68 HydrophobicContact CG2-CG2 4.16Å; I64-V68 WeakPolarHBondContact O-CB 3.43Å; I64-V68 VanDerWaalsContact O-CG2 3.29Å; I64-V68 WeakPolarHBondContact O-CG2 3.23Å; I64-V68 PolarHBondContact O-N 3.26Å; V68-T72 WeakPolarHBondContact O-CB 2.98Å; V68-T72 PolarHBondContact O-N 3.48Å; V68-T72 PolarHBondContact O-OG1 2.9Å; V68-L213 HydrophobicContact CG2-CD2 4.22Å; V68-L391 HydrophobicContact CG1-CD1 3.74Å; V68-F1160 HydrophobicContact CB-CE2 4.21Å; V68-F1160 HydrophobicContact CG1-CE2 4.03Å; V68-M1164 HydrophobicContact CB-CE 4.38Å; V68-M1164 HydrophobicContact CG1-CE 3.73Å; V68-M1164 WeakPolarHBondContact O-CE 3.48Å
69V80.2Confident76Confident7 Ų742.9 Ų42.94%0.04223%0.231CC..Hα-helixtrans-58.3-54.3171.41640000111.7L65 N66 G67 T72 K73 F1160 N1163 M1164L65-V69 WeakPolarHBondContact O-CG2 3.21Å; L65-V69 PolarHBondContact O-N 3.33Å; L65-V69 VanDerWaalsContact O-N 3.09Å; N66-V69 PolarHBondContact O-N 2.77Å; G67-V69 VanDerWaalsContact C-N 3.34Å; G67-V69 PolarHBondContact O-N 3.22Å; V69-T72 PolarHBondContact O-N 3.2Å; V69-K73 HydrophobicContact CG1-CD 4.31Å; V69-K73 WeakPolarHBondContact O-CG 3.24Å; V69-K73 PolarHBondContact O-N 3.43Å; V69-F1160 HydrophobicContact CG2-CB 4.31Å; V69-F1160 HydrophobicContact CG2-CD2 3.96Å; V69-F1160 HydrophobicContact CG2-CG 4.48Å; V69-N1163 HydrophobicContact CB-CB 4.43Å; V69-N1163 HydrophobicContact CG1-CB 3.64Å; V69-N1163 HydrophobicContact CG2-CB 3.85Å; V69-M1164 HydrophobicContact CB-CE 4.35Å; V69-M1164 HydrophobicContact CG2-CE 3.89Å
70V78.4Confident75.7Confident54 Ų5446.2 Ų46.233%0.32724%0.244SC..Hα-helixtrans-73.1-35.4-175.2-170.50000110.5N66 G67 K73 T74 I209N66-V70 PolarHBondContact O-N 3.35Å; N66-V70 VanDerWaalsContact O-N 3.08Å; G67-V70 PolarHBondContact O-N 3.28Å; V70-K73 PolarHBondContact O-N 2.83Å; V70-T74 HydrophobicContact CG1-CG2 4.45Å; V70-T74 WeakPolarHBondContact O-CG2 2.99Å; V70-T74 PolarHBondContact O-N 3.01Å; V70-T74 PolarHBondContact O-OG1 3.09Å; V70-T74 VanDerWaalsContact O-OG1 3.05Å; V70-I209 HydrophobicContact CB-CD1 3.57Å; V70-I209 HydrophobicContact CB-CG1 4.43Å; V70-I209 HydrophobicContact CG1-CD1 3.48Å; V70-I209 VanDerWaalsContact CG1-CD1 3.48Å
71L77.8Confident75.1Confident23 Ų2351.6 Ų51.612%0.1227%0.268CS..Hα-helixtrans-57.9-52.8171.3-176.163.4000111G67 K73 T74 L75 V206 I209 L213 L398G67-L71 WeakPolarHBondContact O-CB 3.2Å; G67-L71 PolarHBondContact O-N 2.87Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 2.93Å; L71-T74 WeakPolarHBondContact CA-OG1 3.27Å; L71-T74 PolarHBondContact O-N 3.47Å; L71-T74 VanDerWaalsContact O-N 3.13Å; L71-T74 PolarHBondContact O-OG1 3.13Å; L71-L75 HydrophobicContact CD1-CD1 4.14Å; L71-L75 HydrophobicContact CD1-CG 4.26Å; L71-L75 HydrophobicContact CG-CD1 3.78Å; L71-L75 HydrophobicContact CG-CG 4.36Å; L71-L75 WeakPolarHBondContact O-CB 3.26Å; L71-L75 VanDerWaalsContact O-CG 3.27Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 3.03Å; L71-V206 HydrophobicContact CD1-CG1 4.34Å; L71-I209 HydrophobicContact CB-CG2 4.21Å; L71-L213 HydrophobicContact CD2-CD1 4.06Å; L71-L398 HydrophobicContact CD2-CD2 4.15Å
72T76.2Confident74.6Confident5 Ų554.5 Ų54.53%0.03128%0.278CS..Hα-helixtrans-58.8-43.8178.5-60.20000111.7V68 V69 L75 L76 K390 M1164V68-T72 WeakPolarHBondContact O-CB 2.98Å; V68-T72 PolarHBondContact O-N 3.48Å; V68-T72 PolarHBondContact O-OG1 2.9Å; V69-T72 PolarHBondContact O-N 3.2Å; T72-L75 PolarHBondContact O-N 3.37Å; T72-L76 HydrophobicContact CG2-CD1 4.08Å; T72-L76 VanDerWaalsContact O-CG 3.27Å; T72-L76 WeakPolarHBondContact O-CG 3.3Å; T72-L76 PolarHBondContact O-N 3.1Å; T72-L76 VanDerWaalsContact O-N 3.11Å; T72-K390 HydrophobicContact CG2-CB 4.48Å; T72-M1164 HydrophobicContact CG2-CE 4.42Å; T72-M1164 HydrophobicContact CG2-SD 3.84Å
73K78.6Confident74Confident101 Ų10159.1 Ų59.144%0.43931%0.31SS..Hα-helixtrans-63.2-40.6175.3-74.1-179.6178.5-176.60112.8V69 V70 L71 N1163V69-K73 HydrophobicContact CG1-CD 4.31Å; V69-K73 WeakPolarHBondContact O-CG 3.24Å; V69-K73 PolarHBondContact O-N 3.43Å; V70-K73 PolarHBondContact O-N 2.83Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 2.93Å; K73-N1163 WeakPolarHBondContact CE-OD1 3.17Å; K73-N1163 PolarHBondContact NZ-OD1 3.04Å
74T74.8Confident73.2Confident12 Ų1264.3 Ų64.37%0.07432%0.324CS..Hα-helixtrans-70.1-42.5177.152.90000112.4V70 L71 L76 T77 K205 V206V70-T74 HydrophobicContact CG1-CG2 4.45Å; V70-T74 WeakPolarHBondContact O-CG2 2.99Å; V70-T74 PolarHBondContact O-N 3.01Å; V70-T74 PolarHBondContact O-OG1 3.09Å; V70-T74 VanDerWaalsContact O-OG1 3.05Å; L71-T74 WeakPolarHBondContact CA-OG1 3.27Å; L71-T74 PolarHBondContact O-N 3.47Å; L71-T74 VanDerWaalsContact O-N 3.13Å; L71-T74 PolarHBondContact O-OG1 3.13Å; T74-L76 VanDerWaalsContact C-N 3.28Å; T74-L76 PolarHBondContact O-N 3.42Å; T74-T77 PolarHBondContact O-N 2.97Å; T74-T77 PolarHBondContact O-OG1 3.24Å; T74-K205 HydrophobicContact CG2-CB 4.28Å; T74-V206 HydrophobicContact CG2-CG2 4.38Å; T74-V206 VanDerWaalsContact OG1-CG2 3.31Å; T74-V206 WeakPolarHBondContact OG1-CG2 3.19Å
75L74.6Confident72.7Confident10 Ų1065.5 Ų65.55%0.05233%0.329CS..Hα-helixtrans-57.1-40.2175.6-72.1165.8000112.2L71 T72 T77 V78 I397 L398 I401L71-L75 HydrophobicContact CD1-CD1 4.14Å; L71-L75 HydrophobicContact CD1-CG 4.26Å; L71-L75 HydrophobicContact CG-CD1 3.78Å; L71-L75 HydrophobicContact CG-CG 4.36Å; L71-L75 WeakPolarHBondContact O-CB 3.26Å; L71-L75 VanDerWaalsContact O-CG 3.27Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 3.03Å; T72-L75 PolarHBondContact O-N 3.37Å; L75-T77 PolarHBondContact O-N 3.39Å; L75-V78 WeakPolarHBondContact O-CB 3.43Å; L75-V78 WeakPolarHBondContact O-CG2 3.47Å; L75-V78 PolarHBondContact O-N 3.3Å; L75-I397 HydrophobicContact CB-CG2 4.38Å; L75-I397 HydrophobicContact CD2-CG2 4.13Å; L75-L398 HydrophobicContact CD1-CB 3.83Å; L75-L398 HydrophobicContact CD1-CD1 4.24Å; L75-L398 HydrophobicContact CD1-CG 4.46Å; L75-L398 HydrophobicContact CD2-CB 4.49Å; L75-L398 HydrophobicContact CD2-CD1 4.3Å; L75-I401 HydrophobicContact CD2-CD1 3.87Å
76L77.3Confident72.2Confident73 Ų7368.4 Ų68.438%0.38234%0.342SS..THydrogen-bonded Turntrans-68.6-7.7175.7-69.6168.7000114.3T72 T74 K390 K393 I397T72-L76 HydrophobicContact CG2-CD1 4.08Å; T72-L76 VanDerWaalsContact O-CG 3.27Å; T72-L76 WeakPolarHBondContact O-CG 3.3Å; T72-L76 PolarHBondContact O-N 3.1Å; T72-L76 VanDerWaalsContact O-N 3.11Å; T74-L76 VanDerWaalsContact C-N 3.28Å; T74-L76 PolarHBondContact O-N 3.42Å; L76-K390 HydrophobicContact CD1-CB 4.13Å; L76-K390 HydrophobicContact CD1-CG 4.06Å; L76-K393 HydrophobicContact CD2-CB 3.98Å; L76-I397 HydrophobicContact CD2-CD1 4.26Å
77T74.7Confident71.5Confident88 Ų8869.7 Ų69.754%0.5435%0.353SS..THydrogen-bonded Turntrans-101-6.4172.964.20000114.1T74 L75 K79T74-T77 PolarHBondContact O-N 2.97Å; T74-T77 PolarHBondContact O-OG1 3.24Å; L75-T77 PolarHBondContact O-N 3.39Å; T77-K79 PolarHBondContact O-N 3.31Å
78V71.3Confident71.2Confident27 Ų2770.9 Ų70.916%0.16436%0.36CS..  trans-70.2126.6-177.8-178.40000110L75 Y196 I198L75-V78 WeakPolarHBondContact O-CB 3.43Å; L75-V78 WeakPolarHBondContact O-CG2 3.47Å; L75-V78 PolarHBondContact O-N 3.3Å; V78-Y196 HydrophobicContact CG1-CD1 3.62Å; V78-Y196 HydrophobicContact CG1-CG 3.91Å; V78-I198 HydrophobicContact CG1-CD1 4.36Å; V78-I198 HydrophobicContact CG1-CG1 4.02Å; V78-I198 HydrophobicContact CG2-CD1 3.89Å; V78-I198 HydrophobicContact CG2-CG1 3.97Å
79K69.1Low70.9Confident148 Ų14874.8 Ų74.864%0.64337%0.374SS*.EExtended strand (participates in β ladder)trans-107.8136.1173.9-67.4-176.9180-1770110.3T77 Y196 S197T77-K79 PolarHBondContact O-N 3.31Å; K79-Y196 CarbonylContact O-C 3.55Å; K79-Y196 WeakPolarHBondContact O-CA 3.21Å; K79-S197 PolarHBondContact N-O 3.43Å; K79-S197 PolarHBondContact O-N 3.31Å; K79-S197 PolarHBondContact O-OG 3.32Å; K79-S197 VanDerWaalsContact O-OG 3.05Å
80Q68.7Low70.4Confident154 Ų15474.7 Ų74.772%0.7237%0.373SS*.EExtended strand (participates in β ladder)trans-77.1131.3170.2-162.5172.28.400108.8Y196Q80-Y196 HydrophobicContact CB-CD1 3.97Å; Q80-Y196 HydrophobicContact CB-CE1 3.85Å; Q80-Y196 HydrophobicContact CG-CD1 4.2Å; Q80-Y196 HydrophobicContact CG-CE1 3.9Å
81Q61.8Low69.8Low126 Ų12679.6 Ų79.659%0.58939%0.386SS*.  trans-141.7-31.7-165-132.7-16832.900116.7G195Q81-G195 PolarHBondContact N-O 3.21Å
82K62Low69.3Low87 Ų8786.6 Ų86.638%0.37842%0.415SS..  trans-145.6169.2-177.2-81.1-163.3179.4-175.90113.2E86 G195K82-E86 IonicContact NZ-OE1 3.48Å; K82-E86 PolarHBondContact NZ-OE1 2.92Å; K82-E86 IonicContact NZ-OE2 2.73Å; K82-G195 PolarHBondContact N-O 2.85Å; K82-G195 VanDerWaalsContact N-O 3.09Å; K82-G195 WeakPolarHBondContact O-CA 3.43Å
83S61.1Low69Low108 Ų10888.2 Ų88.276%0.75542%0.421SS*.SBendtrans-1361.7178.555.70000115.4
84Y64Low68.4Low166 Ų16686 Ų8665%0.65141%0.41SS*.SBendtrans-152.9167.4-178.354.6-98.8000113.5
85F64.1Low67.7Low52 Ų5292.1 Ų92.123%0.22844%0.436CS..  trans-106.1146.9-167.5-179.5-78.8000113.7R120 F123 L189 N192F85-R120 HydrophobicContact CD1-CB 3.97Å; F85-R120 HydrophobicContact CD1-CG 4.14Å; F85-R120 HydrophobicContact CD2-CG 4.13Å; F85-R120 HydrophobicContact CE1-CB 3.55Å; F85-R120 HydrophobicContact CE1-CG 3.96Å; F85-R120 HydrophobicContact CE2-CB 4.38Å; F85-R120 HydrophobicContact CE2-CG 3.94Å; F85-R120 HydrophobicContact CG-CG 4.26Å; F85-R120 HydrophobicContact CZ-CB 3.8Å; F85-R120 HydrophobicContact CZ-CG 3.87Å; F85-F123 HydrophobicContact CZ-CD2 4.28Å; F85-L189 HydrophobicContact CE2-CD1 4.17Å; F85-N192 HydrophobicContact CD2-CB 3.77Å; F85-N192 HydrophobicContact CE2-CB 4.19Å
86E67Low66.9Low92 Ų9296.4 Ų96.443%0.4346%0.464SS..  trans-123.7141.8-178.1-71.2168.9-143.700114.1K82 N192K82-E86 IonicContact NZ-OE1 3.48Å; K82-E86 PolarHBondContact NZ-OE1 2.92Å; K82-E86 IonicContact NZ-OE2 2.73Å; E86-N192 PolarHBondContact N-ND2 3.46Å
87P65Low66Low94 Ų9497 Ų9761%0.6147%0.474SS*.  trans-84.2157.4-179.934.4-36000114.7
88V70.3Confident65Low32 Ų3296.4 Ų96.419%0.19447%0.47CS..EExtended strand (participates in β ladder)trans-119.5135.1-165.2-1730000113.3K92 Y93 Y117 L118 F123V88-K92 HydrophobicContact CG1-CD 4.26Å; V88-Y93 HydrophobicContact CG1-CE2 3.97Å; V88-Y117 CarbonylContact O-C 3.6Å; V88-Y117 VanDerWaalsContact O-CA 3.29Å; V88-Y117 WeakPolarHBondContact O-CA 3.26Å; V88-L118 PolarHBondContact N-O 3.28Å; V88-L118 PolarHBondContact O-N 2.99Å; V88-F123 HydrophobicContact CB-CE2 4.16Å; V88-F123 HydrophobicContact CB-CZ 4.13Å; V88-F123 HydrophobicContact CG2-CE2 3.77Å; V88-F123 HydrophobicContact CG2-CZ 3.89Å
89K71.5Confident64.2Low112 Ų11297.4 Ų97.449%0.48747%0.474SS..EExtended strand (participates in β ladder)trans-75.1136.5175.7-72.5-172.9177.3-170.50113.3R91 K92 Y117K89-R91 PolarHBondContact O-N 3.26Å; K89-K92 PolarHBondContact O-N 3.47Å; K89-Y117 HydrophobicContact CD-CE1 4.21Å; K89-Y117 WeakPolarHBondContact CE-OH 3.49Å; K89-Y117 HydrophobicContact CG-CD1 3.75Å; K89-Y117 HydrophobicContact CG-CE1 3.41Å; K89-Y117 VanDerWaalsContact CG-CE1 3.41Å
90I70.7Confident63.7Low4 Ų499 Ų992%0.02148%0.478CS..G310 helixtrans-65.5-32.1-178.3-79.9163.3000113.5K92 Y93 C116 L118 V150 M167 F171I90-K92 PolarHBondContact O-N 3.05Å; I90-Y93 WeakPolarHBondContact O-CD2 3.4Å; I90-Y93 PolarHBondContact O-N 3.2Å; I90-C116 HydrophobicContact CB-CB 4.27Å; I90-C116 WeakPolarHBondContact CB-O 3.43Å; I90-C116 HydrophobicContact CD1-CB 3.51Å; I90-C116 HydrophobicContact CG1-CB 4.38Å; I90-C116 PolarHBondContact N-O 2.83Å; I90-L118 HydrophobicContact CD1-CD2 4.05Å; I90-L118 HydrophobicContact CD1-CG 4.26Å; I90-L118 HydrophobicContact CG1-CD1 4.35Å; I90-L118 HydrophobicContact CG1-CD2 4Å; I90-L118 HydrophobicContact CG1-CG 3.76Å; I90-V150 HydrophobicContact CD1-CG1 3.65Å; I90-V150 HydrophobicContact CD1-CG2 4.22Å; I90-M167 HydrophobicContact CD1-CE 3.61Å; I90-M167 HydrophobicContact CG1-CE 4.42Å; I90-M167 HydrophobicContact CG2-CE 4.27Å; I90-F171 HydrophobicContact CG2-CE2 4.09Å
91R64.7Low62.9Low158 Ų15898.6 Ų98.660%0.59648%0.48SS*.G310 helixtrans-52.8-22.9176.8-172.1177.7-175.1150.417.9114.2K89 Y93 E114K89-R91 PolarHBondContact O-N 3.26Å; R91-Y93 PolarHBondContact O-N 2.92Å; R91-E114 IonicContact CZ-OE1 3.3Å; R91-E114 IonicContact CZ-OE2 2.74Å; R91-E114 IonicContact NE-OE1 2.7Å; R91-E114 IonicContact NH1-OE1 2.67Å; R91-E114 PolarHBondContact NH1-OE1 3.07Å; R91-E114 IonicContact NH1-OE2 3.98Å; R91-E114 PolarHBondContact NH1-OE2 3.49Å; R91-E114 IonicContact NH2-OE1 3.77Å; R91-E114 PolarHBondContact NH2-OE1 3.29Å
92K68Low62.3Low170 Ų17098 Ų9874%0.73948%0.478SS*.G310 helixtrans-65.4-16.3175.7-73.1-170.8172.7-175.10114.5V88 K89 I90V88-K92 HydrophobicContact CG1-CD 4.26Å; K89-K92 PolarHBondContact O-N 3.47Å; I90-K92 PolarHBondContact O-N 3.05Å
93Y69.4Low61.8Low38 Ų38100 Ų10015%0.14950%0.503CS..G310 helixtrans-105.8-0.4-170.7-61.8-80.3000115V88 I90 R91 L118 F171 V176V88-Y93 HydrophobicContact CG1-CE2 3.97Å; I90-Y93 WeakPolarHBondContact O-CD2 3.4Å; I90-Y93 PolarHBondContact O-N 3.2Å; R91-Y93 PolarHBondContact O-N 2.92Å; Y93-L118 HydrophobicContact CD2-CD1 4.11Å; Y93-L118 HydrophobicContact CE2-CD1 3.58Å; Y93-F171 HydrophobicContact CD2-CZ 4.5Å; Y93-F171 HydrophobicContact CG-CZ 4.39Å; Y93-V176 HydrophobicContact CD1-CB 4.44Å; Y93-V176 HydrophobicContact CD1-CG1 4.18Å; Y93-V176 HydrophobicContact CD1-CG2 3.64Å; Y93-V176 HydrophobicContact CE1-CB 4.49Å; Y93-V176 HydrophobicContact CE1-CG1 3.8Å; Y93-V176 HydrophobicContact CE1-CG2 4.14Å; Y93-V176 HydrophobicContact CG-CG2 4.12Å
94W66.5Low61.5Low54 Ų54103 Ų10321%0.20551%0.505CS..  trans-114137.6-178.8-86.53.9000111.8L99 L113 H170 F171W94-L99 HydrophobicContact CB-CD1 4.04Å; W94-L99 HydrophobicContact CD2-CD1 4.07Å; W94-L99 HydrophobicContact CE3-CD1 3.71Å; W94-L99 HydrophobicContact CE3-CD2 3.99Å; W94-L99 HydrophobicContact CE3-CG 4.16Å; W94-L99 HydrophobicContact CG-CD1 4.28Å; W94-L99 HydrophobicContact CZ3-CD1 4.32Å; W94-L99 HydrophobicContact CZ3-CD2 4.34Å; W94-L99 HydrophobicContact CZ3-CG 4.4Å; W94-L113 HydrophobicContact CH2-CD1 3.76Å; W94-L113 HydrophobicContact CH2-CD2 4.16Å; W94-L113 HydrophobicContact CZ3-CB 4.44Å; W94-L113 HydrophobicContact CZ3-CD1 3.78Å; W94-L113 HydrophobicContact CZ3-CD2 4.37Å; W94-L113 HydrophobicContact CZ3-CG 4.42Å; W94-H170 HydrophobicContact CZ2-CB 4.41Å; W94-H170 PolarHBondContact NE1-O 2.77Å; W94-F171 AromaticContact NE1-CD2 3.97Å
95K59.5Low61.2Low142 Ų14297.6 Ų97.662%0.61749%0.487SS*.  trans-87.9132.8178.6-82.5-166.9172.9-169.60110.7S97 V98K95-S97 VanDerWaalsContact C-N 3.3Å; K95-S97 PolarHBondContact O-N 3.09Å; K95-V98 HydrophobicContact CB-CB 4.49Å; K95-V98 HydrophobicContact CB-CG2 3.93Å; K95-V98 PolarHBondContact O-N 3.21Å
96P59Low61Low99 Ų9998.7 Ų98.764%0.64350%0.499SS*.Hα-helixtrans-54-42.8177.5-27.535000113.6V98 L99 Y100P96-V98 PolarHBondContact O-N 3.21Å; P96-V98 VanDerWaalsContact O-N 3.09Å; P96-L99 PolarHBondContact O-N 2.96Å; P96-L99 VanDerWaalsContact O-N 3.13Å; P96-Y100 WeakPolarHBondContact O-CD2 3.35Å
97S57.6Low60.5Low85 Ų85103 Ų10359%0.59452%0.516SS*.Hα-helixtrans-68-6.5-178.960.70000115.3K95K95-S97 VanDerWaalsContact C-N 3.3Å; K95-S97 PolarHBondContact O-N 3.09Å
98V54Low60.4Low77 Ų77104.4 Ų104.447%0.46752%0.519SS..Hα-helixtrans-97.8-24.7175.1-177.40000111.1K95 P96 Y100K95-V98 HydrophobicContact CB-CB 4.49Å; K95-V98 HydrophobicContact CB-CG2 3.93Å; K95-V98 PolarHBondContact O-N 3.21Å; P96-V98 PolarHBondContact O-N 3.21Å; P96-V98 VanDerWaalsContact O-N 3.09Å; V98-Y100 VanDerWaalsContact C-N 3.33Å; V98-Y100 PolarHBondContact O-N 3.23Å
99L54.8Low59.9Low47 Ų47105.2 Ų105.225%0.24652%0.521CS..Hα-helixtrans-77.7-14.1-178.9-91.967.7000114.4W94 P96 L110W94-L99 HydrophobicContact CB-CD1 4.04Å; W94-L99 HydrophobicContact CD2-CD1 4.07Å; W94-L99 HydrophobicContact CE3-CD1 3.71Å; W94-L99 HydrophobicContact CE3-CD2 3.99Å; W94-L99 HydrophobicContact CE3-CG 4.16Å; W94-L99 HydrophobicContact CG-CD1 4.28Å; W94-L99 HydrophobicContact CZ3-CD1 4.32Å; W94-L99 HydrophobicContact CZ3-CD2 4.34Å; W94-L99 HydrophobicContact CZ3-CG 4.4Å; P96-L99 PolarHBondContact O-N 2.96Å; P96-L99 VanDerWaalsContact O-N 3.13Å; L99-L110 HydrophobicContact CD2-CD1 4.03Å; L99-L110 HydrophobicContact CD2-CD2 4.48Å; L99-L110 HydrophobicContact CD2-CG 4.28Å; L99-L110 HydrophobicContact CG-CD1 4.22Å
100Y57.9Low59.4Low183 Ų183102 Ų10272%0.71851%0.509SS*.SBendtrans-111.3-5.4-173.4-72.4-71.1000114.8P96 V98P96-Y100 WeakPolarHBondContact O-CD2 3.35Å; V98-Y100 VanDerWaalsContact C-N 3.33Å; V98-Y100 PolarHBondContact O-N 3.23Å
101N52.8Low59.1Low144 Ų144107.9 Ų107.977%0.7754%0.54SS*.SBendtrans-108.3-1.4-170-96.935.1000115.3
102E49.5Very low59.2Low115 Ų115101.5 Ų101.554%0.53752%0.518SS..  trans-117.3123177.1-70.817617900109.7E104E102-E104 PolarHBondContact O-N 3.11Å
103S49.9Very low59.2Low129 Ų12994 Ų9490%0.90249%0.486SS*.THydrogen-bonded Turntrans-76.912.7-168.9480000115.4
104E54.9Low59Low170 Ų17096.8 Ų96.879%0.79450%0.5SS*.THydrogen-bonded Turntrans-114.6-12.3-165.8-59.8-167.415400115E102 P106E102-E104 PolarHBondContact O-N 3.11Å; E104-P106 WeakPolarHBondContact O-CD 3.43Å
105I57.9Low59.1Low53 Ų5395.6 Ų95.627%0.27250%0.5SS..SBendtrans-87.2118.7179.5-56.9-180000110.3K107 L110I105-K107 PolarHBondContact O-N 3.23Å; I105-L110 HydrophobicContact CG2-CD1 4.07Å
106P59.5Low59.8Low75 Ų7588.9 Ų88.949%0.48747%0.471SS..  trans-64.5129.4176.5-2133.5000111.3E104 N108 L109E104-P106 WeakPolarHBondContact O-CD 3.43Å; P106-N108 PolarHBondContact O-N 3.29Å; P106-L109 HydrophobicContact CB-CD1 4.41Å; P106-L109 HydrophobicContact CG-CD1 4.27Å; P106-L109 PolarHBondContact O-N 3.25Å
107K57.9Low60.8Low181 Ų18187.6 Ų87.679%0.78745%0.454SS*.Hα-helixtrans-48.4-32.2178.4-72.4-177.9175.8177.60113.4I105 L109 L110I105-K107 PolarHBondContact O-N 3.23Å; K107-L109 PolarHBondContact O-N 3.1Å; K107-L110 WeakPolarHBondContact O-CB 3.27Å; K107-L110 PolarHBondContact O-N 2.63Å
108N61.8Low61.7Low125 Ų12583.6 Ų83.667%0.66843%0.426SS*.Hα-helixtrans-66.8-32.5-179.5-57.62.2000113.2P106P106-N108 PolarHBondContact O-N 3.29Å
109L60.7Low63Low48 Ų4881.5 Ų81.525%0.25141%0.413SS..Hα-helixtrans-74.3-29.9175.2-102.9105.1000112.2P106 K107 L111 D112 L113 L163 A166P106-L109 HydrophobicContact CB-CD1 4.41Å; P106-L109 HydrophobicContact CG-CD1 4.27Å; P106-L109 PolarHBondContact O-N 3.25Å; K107-L109 PolarHBondContact O-N 3.1Å; L109-L111 PolarHBondContact O-N 3.49Å; L109-D112 PolarHBondContact O-N 3.2Å; L109-L113 WeakPolarHBondContact O-CD1 3.36Å; L109-L113 PolarHBondContact O-N 3.2Å; L109-L163 HydrophobicContact CD2-CD1 3.83Å; L109-L163 HydrophobicContact CG-CD1 4.26Å; L109-A166 HydrophobicContact CD2-CB 4.23Å
110L60.2Low63.8Low44 Ų4486.3 Ų86.323%0.2343%0.428CS..Hα-helixtrans-59.6-34.7-176.2-145.385.9000112.1L99 I105 K107L99-L110 HydrophobicContact CD2-CD1 4.03Å; L99-L110 HydrophobicContact CD2-CD2 4.48Å; L99-L110 HydrophobicContact CD2-CG 4.28Å; L99-L110 HydrophobicContact CG-CD1 4.22Å; I105-L110 HydrophobicContact CG2-CD1 4.07Å; K107-L110 WeakPolarHBondContact O-CB 3.27Å; K107-L110 PolarHBondContact O-N 2.63Å
111L64.8Low64.8Low128 Ų12883.3 Ų83.367%0.6742%0.415SS*.Hα-helixtrans-71.3-44.7176.2-79.4155.7000112.7L109 L113 E114L109-L111 PolarHBondContact O-N 3.49Å; L111-L113 PolarHBondContact O-N 3.06Å; L111-E114 PolarHBondContact O-N 2.93Å; L111-E114 VanDerWaalsContact O-N 3.13Å
112D67.5Low66Low25 Ų2576.5 Ų76.513%0.13438%0.379CS..Hα-helixtrans-60.3-34.2180-66.4-51.8000111.6L109 E114 S115 V155 K159 L163L109-D112 PolarHBondContact O-N 3.2Å; D112-E114 VanDerWaalsContact C-N 3.27Å; D112-E114 PolarHBondContact O-N 3.34Å; D112-S115 WeakPolarHBondContact O-CB 3.45Å; D112-S115 PolarHBondContact O-N 2.66Å; D112-S115 PolarHBondContact O-OG 3.49Å; D112-V155 HydrophobicContact CB-CG2 4.33Å; D112-K159 IonicContact OD1-NZ 2.72Å; D112-K159 PolarHBondContact OD1-NZ 3.35Å; D112-K159 WeakPolarHBondContact OD2-CD 3.41Å; D112-K159 WeakPolarHBondContact OD2-CE 3.48Å; D112-K159 IonicContact OD2-NZ 2.68Å; D112-K159 PolarHBondContact OD2-NZ 3.5Å; D112-L163 HydrophobicContact CB-CD1 3.75Å; D112-L163 HydrophobicContact CB-CD2 4.48Å
113L66.3Low67.2Low12 Ų1272.3 Ų72.36%0.06336%0.359CS..G310 helixtrans-67.8-17.8179.2-78.6153.5000114.2W94 L109 L111 S115 L163 M167W94-L113 HydrophobicContact CH2-CD1 3.76Å; W94-L113 HydrophobicContact CH2-CD2 4.16Å; W94-L113 HydrophobicContact CZ3-CB 4.44Å; W94-L113 HydrophobicContact CZ3-CD1 3.78Å; W94-L113 HydrophobicContact CZ3-CD2 4.37Å; W94-L113 HydrophobicContact CZ3-CG 4.42Å; L109-L113 WeakPolarHBondContact O-CD1 3.36Å; L109-L113 PolarHBondContact O-N 3.2Å; L111-L113 PolarHBondContact O-N 3.06Å; L113-S115 PolarHBondContact O-N 2.8Å; L113-L163 HydrophobicContact CD2-CD2 3.89Å; L113-L163 HydrophobicContact CD2-CG 4.06Å; L113-L163 HydrophobicContact CG-CD1 4.45Å; L113-L163 HydrophobicContact CG-CD2 4.03Å; L113-L163 HydrophobicContact CG-CG 4.11Å; L113-M167 HydrophobicContact CD2-CG 4.14Å; L113-M167 HydrophobicContact CD2-SD 4.41Å
114E65.6Low68.2Low97 Ų9769.5 Ų69.545%0.45333%0.334SS..G310 helixtrans-70.4-16174-57.7-152.8151.100113.2R91 L111 D112R91-E114 IonicContact CZ-OE1 3.3Å; R91-E114 IonicContact CZ-OE2 2.74Å; R91-E114 IonicContact NE-OE1 2.7Å; R91-E114 IonicContact NH1-OE1 2.67Å; R91-E114 PolarHBondContact NH1-OE1 3.07Å; R91-E114 IonicContact NH1-OE2 3.98Å; R91-E114 PolarHBondContact NH1-OE2 3.49Å; R91-E114 IonicContact NH2-OE1 3.77Å; R91-E114 PolarHBondContact NH2-OE1 3.29Å; L111-E114 PolarHBondContact O-N 2.93Å; L111-E114 VanDerWaalsContact O-N 3.13Å; D112-E114 VanDerWaalsContact C-N 3.27Å; D112-E114 PolarHBondContact O-N 3.34Å
115S70.1Confident69.2Low28 Ų2863.1 Ų63.120%0.19631%0.305CS..G310 helixtrans-91.7-1.9-170.574.60000116.3D112 L113 Y117 V153 V155D112-S115 WeakPolarHBondContact O-CB 3.45Å; D112-S115 PolarHBondContact O-N 2.66Å; D112-S115 PolarHBondContact O-OG 3.49Å; L113-S115 PolarHBondContact O-N 2.8Å; S115-Y117 WeakPolarHBondContact O-CD2 3.45Å; S115-Y117 WeakPolarHBondContact O-CE2 3.46Å; S115-V153 VanDerWaalsContact CB-O 3.31Å; S115-V153 WeakPolarHBondContact CB-O 3.31Å; S115-V155 WeakPolarHBondContact OG-CG2 3.44Å
116C74.2Confident69.9Low2 Ų260.9 Ų60.91%0.01429%0.294CS..  trans-102.2146.8-163.4-57.40000114.2I90 V150 F152I90-C116 HydrophobicContact CB-CB 4.27Å; I90-C116 WeakPolarHBondContact CB-O 3.43Å; I90-C116 HydrophobicContact CD1-CB 3.51Å; I90-C116 HydrophobicContact CG1-CB 4.38Å; I90-C116 PolarHBondContact N-O 2.83Å; C116-V150 HydrophobicContact CB-CG1 4.24Å; C116-F152 WeakPolarHBondContact SG-CD1 3.46Å
117Y78.2Confident70.4Confident72 Ų7260.1 Ų60.128%0.28229%0.286SS..EExtended strand (participates in β ladder)trans-129.6154.2-176.8-62.5-107.1000113V88 K89 S115 V150 K151 V153V88-Y117 CarbonylContact O-C 3.6Å; V88-Y117 VanDerWaalsContact O-CA 3.29Å; V88-Y117 WeakPolarHBondContact O-CA 3.26Å; K89-Y117 HydrophobicContact CD-CE1 4.21Å; K89-Y117 WeakPolarHBondContact CE-OH 3.49Å; K89-Y117 HydrophobicContact CG-CD1 3.75Å; K89-Y117 HydrophobicContact CG-CE1 3.41Å; K89-Y117 VanDerWaalsContact CG-CE1 3.41Å; S115-Y117 WeakPolarHBondContact O-CD2 3.45Å; S115-Y117 WeakPolarHBondContact O-CE2 3.46Å; Y117-V150 CarbonylContact O-C 3.6Å; Y117-V150 WeakPolarHBondContact O-CA 3.33Å; Y117-K151 PolarHBondContact N-O 3.01Å; Y117-K151 PolarHBondContact O-N 3.47Å; Y117-V153 HydrophobicContact CD2-CG2 3.86Å; Y117-V153 HydrophobicContact CE2-CB 4.42Å; Y117-V153 HydrophobicContact CE2-CG2 3.7Å
118L77.6Confident71Confident0 Ų056.1 Ų56.10%027%0.273CS..EExtended strand (participates in β ladder)trans-102.5146.3172.2-61.6170.2000111.6V88 I90 Y93 F122 F123 Y149 V150 F171V88-L118 PolarHBondContact N-O 3.28Å; V88-L118 PolarHBondContact O-N 2.99Å; I90-L118 HydrophobicContact CD1-CD2 4.05Å; I90-L118 HydrophobicContact CD1-CG 4.26Å; I90-L118 HydrophobicContact CG1-CD1 4.35Å; I90-L118 HydrophobicContact CG1-CD2 4Å; I90-L118 HydrophobicContact CG1-CG 3.76Å; Y93-L118 HydrophobicContact CD2-CD1 4.11Å; Y93-L118 HydrophobicContact CE2-CD1 3.58Å; L118-F122 HydrophobicContact CB-CD1 4.1Å; L118-F122 HydrophobicContact CB-CG 4.45Å; L118-F122 HydrophobicContact CD1-CD1 4.03Å; L118-F122 HydrophobicContact CD1-CE1 3.71Å; L118-F122 HydrophobicContact CD1-CZ 4.17Å; L118-F122 HydrophobicContact CD2-CD1 4.13Å; L118-F122 HydrophobicContact CD2-CD2 4.09Å; L118-F122 HydrophobicContact CD2-CE1 4.25Å; L118-F122 HydrophobicContact CD2-CE2 4.17Å; L118-F122 HydrophobicContact CD2-CG 4.06Å; L118-F122 HydrophobicContact CD2-CZ 4.26Å; L118-F122 HydrophobicContact CG-CD1 4.3Å; L118-F122 HydrophobicContact CG-CE1 4.41Å; L118-F123 HydrophobicContact CB-CE2 4.04Å; L118-F123 HydrophobicContact CB-CZ 4.27Å; L118-F123 HydrophobicContact CD1-CZ 4.19Å; L118-Y149 WeakPolarHBondContact CA-O 3.23Å; L118-V150 HydrophobicContact CD2-CG2 4.23Å; L118-F171 HydrophobicContact CD1-CZ 4.49Å
119T80Confident71.5Confident33 Ų3354.3 Ų54.320%0.20226%0.256CS..  trans-102167.9-173.369.40000114.1R121 F122 F123 E148 Y149T119-R121 PolarHBondContact O-N 3.43Å; T119-R121 PolarHBondContact OG1-N 2.91Å; T119-F122 WeakPolarHBondContact O-CB 3.43Å; T119-F122 PolarHBondContact O-N 2.98Å; T119-F122 PolarHBondContact OG1-N 3.26Å; T119-F123 VanDerWaalsContact O-CD2 3.23Å; T119-F123 WeakPolarHBondContact O-CD2 3.44Å; T119-F123 PolarHBondContact O-N 3.33Å; T119-E148 WeakPolarHBondContact CB-O 3.39Å; T119-E148 WeakPolarHBondContact CG2-O 3.08Å; T119-E148 PolarHBondContact OG1-O 3.18Å; T119-Y149 PolarHBondContact N-O 2.69Å
120R73Confident71.9Confident148 Ų14854.1 Ų54.156%0.55826%0.259SS*.Hα-helixtrans-56.7-36171.5-172-179.4175.1-162-1.6112.2F85 F123 L124F85-R120 HydrophobicContact CD1-CB 3.97Å; F85-R120 HydrophobicContact CD1-CG 4.14Å; F85-R120 HydrophobicContact CD2-CG 4.13Å; F85-R120 HydrophobicContact CE1-CB 3.55Å; F85-R120 HydrophobicContact CE1-CG 3.96Å; F85-R120 HydrophobicContact CE2-CB 4.38Å; F85-R120 HydrophobicContact CE2-CG 3.94Å; F85-R120 HydrophobicContact CG-CG 4.26Å; F85-R120 HydrophobicContact CZ-CB 3.8Å; F85-R120 HydrophobicContact CZ-CG 3.87Å; R120-F123 PolarHBondContact O-N 3.46Å; R120-L124 HydrophobicContact CG-CD1 4.06Å; R120-L124 PolarHBondContact O-N 2.85Å
121R78.4Confident72.1Confident120 Ų12058.5 Ų58.545%0.45328%0.282SS..Hα-helixtrans-67-41.5-179.9-164.4179.1-171.5152.58.2111.8T119 F123 L124 D125 E148 Y149T119-R121 PolarHBondContact O-N 3.43Å; T119-R121 PolarHBondContact OG1-N 2.91Å; R121-F123 VanDerWaalsContact C-N 3.3Å; R121-F123 PolarHBondContact O-N 2.91Å; R121-L124 PolarHBondContact O-N 2.9Å; R121-D125 IonicContact NE-OD2 2.76Å; R121-D125 WeakPolarHBondContact O-CB 3.45Å; R121-D125 PolarHBondContact O-N 3.3Å; R121-E148 WeakPolarHBondContact CD-OE2 3.21Å; R121-E148 IonicContact CZ-OE1 2.9Å; R121-E148 IonicContact CZ-OE2 2.91Å; R121-E148 IonicContact NE-OE2 3.28Å; R121-E148 PolarHBondContact NE-OE2 2.78Å; R121-E148 IonicContact NH1-OE1 3.81Å; R121-E148 PolarHBondContact NH1-OE1 3.23Å; R121-E148 IonicContact NH1-OE2 2.69Å; R121-E148 PolarHBondContact NH1-OE2 3.45Å; R121-Y149 HydrophobicContact CG-CE1 4.31Å
122F77.4Confident72.2Confident1 Ų159 Ų590%0.00428%0.279CS..Hα-helixtrans-53-47.7172.7170.7-93.1000111.7L118 T119 A126 F136 F140 Y149 V176L118-F122 HydrophobicContact CB-CD1 4.1Å; L118-F122 HydrophobicContact CB-CG 4.45Å; L118-F122 HydrophobicContact CD1-CD1 4.03Å; L118-F122 HydrophobicContact CD1-CE1 3.71Å; L118-F122 HydrophobicContact CD1-CZ 4.17Å; L118-F122 HydrophobicContact CD2-CD1 4.13Å; L118-F122 HydrophobicContact CD2-CD2 4.09Å; L118-F122 HydrophobicContact CD2-CE1 4.25Å; L118-F122 HydrophobicContact CD2-CE2 4.17Å; L118-F122 HydrophobicContact CD2-CG 4.06Å; L118-F122 HydrophobicContact CD2-CZ 4.26Å; L118-F122 HydrophobicContact CG-CD1 4.3Å; L118-F122 HydrophobicContact CG-CE1 4.41Å; T119-F122 WeakPolarHBondContact O-CB 3.43Å; T119-F122 PolarHBondContact O-N 2.98Å; T119-F122 PolarHBondContact OG1-N 3.26Å; F122-A126 WeakPolarHBondContact O-CB 3.39Å; F122-A126 PolarHBondContact O-N 3.04Å; F122-F136 AromaticContact CD2-CE1 3.92Å; F122-F136 HydrophobicContact CD2-CE1 3.92Å; F122-F136 HydrophobicContact CD2-CZ 4.13Å; F122-F136 AromaticContact CE2-CE1 3.72Å; F122-F136 HydrophobicContact CE2-CE1 3.72Å; F122-F136 HydrophobicContact CE2-CZ 4.39Å; F122-F136 HydrophobicContact CZ-CE1 4.5Å; F122-F140 HydrophobicContact CD2-CD2 4.12Å; F122-F140 HydrophobicContact CD2-CE2 4.13Å; F122-F140 AromaticContact CE2-CD2 3.78Å; F122-F140 HydrophobicContact CE2-CD2 3.78Å; F122-F140 AromaticContact CE2-CE2 3.71Å; F122-F140 HydrophobicContact CE2-CE2 3.71Å; F122-Y149 VanDerWaalsContact CA-CD1 3.49Å; F122-Y149 HydrophobicContact CB-CD1 3.81Å; F122-Y149 HydrophobicContact CB-CG 4.22Å; F122-Y149 HydrophobicContact CD2-CD1 4.4Å; F122-Y149 HydrophobicContact CD2-CG 4.11Å; F122-V176 HydrophobicContact CE1-CG1 3.86Å; F122-V176 HydrophobicContact CZ-CG1 3.82Å
123F75.2Confident72.2Confident28 Ų2867.3 Ų67.312%0.12331%0.313CS..Hα-helixtrans-72.1-34.8-179.3-66.9-72.3000113.8F85 V88 L118 T119 R120 R121 L127 L189F85-F123 HydrophobicContact CZ-CD2 4.28Å; V88-F123 HydrophobicContact CB-CE2 4.16Å; V88-F123 HydrophobicContact CB-CZ 4.13Å; V88-F123 HydrophobicContact CG2-CE2 3.77Å; V88-F123 HydrophobicContact CG2-CZ 3.89Å; L118-F123 HydrophobicContact CB-CE2 4.04Å; L118-F123 HydrophobicContact CB-CZ 4.27Å; L118-F123 HydrophobicContact CD1-CZ 4.19Å; T119-F123 VanDerWaalsContact O-CD2 3.23Å; T119-F123 WeakPolarHBondContact O-CD2 3.44Å; T119-F123 PolarHBondContact O-N 3.33Å; R120-F123 PolarHBondContact O-N 3.46Å; R121-F123 VanDerWaalsContact C-N 3.3Å; R121-F123 PolarHBondContact O-N 2.91Å; F123-L127 VanDerWaalsContact O-CB 3.27Å; F123-L127 WeakPolarHBondContact O-CB 3.37Å; F123-L127 PolarHBondContact O-N 3.16Å; F123-L127 VanDerWaalsContact O-N 3.09Å; F123-L189 HydrophobicContact CB-CD1 3.77Å; F123-L189 HydrophobicContact CB-CD2 4.43Å; F123-L189 HydrophobicContact CD1-CD1 4.39Å; F123-L189 HydrophobicContact CG-CD1 4.05Å
124L71.4Confident72.4Confident69 Ų6970.4 Ų70.436%0.36133%0.328SS..Hα-helixtrans-67.3-52.5175.6-84.6166.5000112R120 R121 A126 L127 L128R120-L124 HydrophobicContact CG-CD1 4.06Å; R120-L124 PolarHBondContact O-N 2.85Å; R121-L124 PolarHBondContact O-N 2.9Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.15Å; L124-L127 PolarHBondContact O-N 3.37Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 PolarHBondContact O-N 3.19Å
125D76.4Confident72.6Confident36 Ų3672.6 Ų72.619%0.19334%0.342CS..Hα-helixtrans-63.3-43.2-179.5-680.1000110.1R121 L127 L128 R129 F136 Y149R121-D125 IonicContact NE-OD2 2.76Å; R121-D125 WeakPolarHBondContact O-CB 3.45Å; R121-D125 PolarHBondContact O-N 3.3Å; D125-L127 PolarHBondContact O-N 3.4Å; D125-L128 PolarHBondContact O-N 3.39Å; D125-R129 VanDerWaalsContact O-CB 3.3Å; D125-R129 WeakPolarHBondContact O-CB 3.16Å; D125-R129 WeakPolarHBondContact O-CG 3.1Å; D125-R129 PolarHBondContact O-N 2.88Å; D125-F136 HydrophobicContact CB-CE2 3.94Å; D125-F136 HydrophobicContact CB-CZ 4.37Å; D125-Y149 HydrophobicContact CB-CE1 4.12Å; D125-Y149 VanDerWaalsContact OD2-CE1 3.24Å; D125-Y149 WeakPolarHBondContact OD2-CE1 3.3Å; D125-Y149 PolarHBondContact OD2-OH 3.4Å
126A71.9Confident73.1Confident6 Ų671.3 Ų71.35%0.0533%0.334CS..Hα-helixtrans-55.6-47.5174.100000112.7F122 L124 S130 F136 L177 Y179F122-A126 WeakPolarHBondContact O-CB 3.39Å; F122-A126 PolarHBondContact O-N 3.04Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.15Å; A126-S130 WeakPolarHBondContact O-CB 3.33Å; A126-S130 PolarHBondContact O-N 2.96Å; A126-F136 HydrophobicContact CB-CD1 4.25Å; A126-F136 HydrophobicContact CB-CE1 3.97Å; A126-F136 HydrophobicContact CB-CZ 4.36Å; A126-L177 HydrophobicContact CB-CD2 3.61Å; A126-Y179 PolarHBondContact O-OH 3.47Å
127L70.2Confident73.2Confident60 Ų6075.3 Ų75.331%0.31435%0.348SS..Hα-helixtrans-73-37.7-177.1-165.9148.6000112F123 L124 D125 S130 L131 Y179 L189F123-L127 VanDerWaalsContact O-CB 3.27Å; F123-L127 WeakPolarHBondContact O-CB 3.37Å; F123-L127 PolarHBondContact O-N 3.16Å; F123-L127 VanDerWaalsContact O-N 3.09Å; L124-L127 PolarHBondContact O-N 3.37Å; D125-L127 PolarHBondContact O-N 3.4Å; L127-S130 PolarHBondContact O-N 3.23Å; L127-L131 HydrophobicContact CD2-CD1 3.59Å; L127-L131 HydrophobicContact CD2-CG 4.08Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 3.44Å; L127-Y179 WeakPolarHBondContact CA-OH 3.21Å; L127-L189 HydrophobicContact CD1-CD2 3.56Å
128L70.4Confident73.3Confident96 Ų9679.7 Ų79.750%0.50337%0.371SS..Hα-helixtrans-64.8-47.6173-80.5164.2000112.3L124 D125 S130 K132L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 PolarHBondContact O-N 3.19Å; D125-L128 PolarHBondContact O-N 3.39Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 3.49Å; L128-K132 WeakPolarHBondContact O-CG 3.26Å; L128-K132 PolarHBondContact O-N 2.94Å
129R72.8Confident73.3Confident88 Ų8880.8 Ų80.833%0.33238%0.377SS..Hα-helixtrans-60.6-42.9175.1-69.8-68.4-155.4-169.85.4110.9D125 K132 K133 E134 F136 D139D125-R129 VanDerWaalsContact O-CB 3.3Å; D125-R129 WeakPolarHBondContact O-CB 3.16Å; D125-R129 WeakPolarHBondContact O-CG 3.1Å; D125-R129 PolarHBondContact O-N 2.88Å; R129-K132 CarbonylContact O-C 3.57Å; R129-K132 PolarHBondContact O-N 3.25Å; R129-K133 PolarHBondContact O-N 2.99Å; R129-E134 HydrophobicContact CB-CB 4.23Å; R129-E134 WeakPolarHBondContact CD-OE2 3.47Å; R129-E134 IonicContact CZ-OE2 2.86Å; R129-E134 IonicContact NE-OE2 2.81Å; R129-E134 IonicContact NH1-OE2 2.96Å; R129-E134 PolarHBondContact NH1-OE2 3.33Å; R129-E134 PolarHBondContact O-N 3.36Å; R129-F136 HydrophobicContact CB-CB 4.35Å; R129-F136 HydrophobicContact CG-CD2 4Å; R129-D139 IonicContact CZ-OD2 3.28Å; R129-D139 IonicContact NE-OD2 2.72Å; R129-D139 PolarHBondContact NE-OD2 3.19Å; R129-D139 VanDerWaalsContact NH2-CG 3.27Å; R129-D139 IonicContact NH2-OD1 2.97Å; R129-D139 PolarHBondContact NH2-OD1 2.75Å; R129-D139 IonicContact NH2-OD2 3.16Å; R129-D139 PolarHBondContact NH2-OD2 3.28Å
130S67.6Low73.3Confident43 Ų4379.2 Ų79.230%0.30137%0.367SS..Hα-helixtrans-68.5-41.9-179.3-170.10000113.1A126 L127 L128 K132 K133 Y179A126-S130 WeakPolarHBondContact O-CB 3.33Å; A126-S130 PolarHBondContact O-N 2.96Å; L127-S130 PolarHBondContact O-N 3.23Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 3.49Å; S130-K132 PolarHBondContact O-N 3.14Å; S130-K133 PolarHBondContact O-N 3.3Å; S130-Y179 VanDerWaalsContact CB-OH 3.26Å; S130-Y179 WeakPolarHBondContact CB-OH 3.36Å; S130-Y179 VanDerWaalsContact OG-CE2 3.27Å; S130-Y179 WeakPolarHBondContact OG-CE2 3.5Å
131L64.1Low73.6Confident136 Ų13673.8 Ų73.871%0.71235%0.351SS*.Hα-helixtrans-59.4-30.6171.9-76.4177.1000112.6L127L127-L131 HydrophobicContact CD2-CD1 3.59Å; L127-L131 HydrophobicContact CD2-CG 4.08Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 3.44Å
132K68.5Low73.7Confident140 Ų14071.3 Ų71.361%0.60935%0.347SS*.THydrogen-bonded Turntrans-87.4-4.1174.2-66.3-176.2179.5-173.50114.9L128 R129 S130 E134L128-K132 WeakPolarHBondContact O-CG 3.26Å; L128-K132 PolarHBondContact O-N 2.94Å; R129-K132 CarbonylContact O-C 3.57Å; R129-K132 PolarHBondContact O-N 3.25Å; S130-K132 PolarHBondContact O-N 3.14Å; K132-E134 VanDerWaalsContact C-N 3.34Å; K132-E134 HydrophobicContact CB-CG 3.84Å; K132-E134 VanDerWaalsContact CD-OE1 3.24Å; K132-E134 WeakPolarHBondContact CD-OE1 3.27Å
133K66Low73.4Confident198 Ų19876.3 Ų76.386%0.86138%0.377SS*.THydrogen-bonded Turntrans6034.5-172.3-54.6179.5177.4178.60114.5R129 S130R129-K133 PolarHBondContact O-N 2.99Å; S130-K133 PolarHBondContact O-N 3.3Å
134E72Confident73.5Confident77 Ų7778.4 Ų78.436%0.3640%0.396SS..  trans-95.8153.1-178.7-67.4173.9-168.900113.2R129 K132 F136R129-E134 HydrophobicContact CB-CB 4.23Å; R129-E134 WeakPolarHBondContact CD-OE2 3.47Å; R129-E134 IonicContact CZ-OE2 2.86Å; R129-E134 IonicContact NE-OE2 2.81Å; R129-E134 IonicContact NH1-OE2 2.96Å; R129-E134 PolarHBondContact NH1-OE2 3.33Å; R129-E134 PolarHBondContact O-N 3.36Å; K132-E134 VanDerWaalsContact C-N 3.34Å; K132-E134 HydrophobicContact CB-CG 3.84Å; K132-E134 VanDerWaalsContact CD-OE1 3.24Å; K132-E134 WeakPolarHBondContact CD-OE1 3.27Å; E134-F136 PolarHBondContact O-N 2.73Å
135N69.9Low73.8Confident143 Ų14376.8 Ų76.877%0.76539%0.387SS*.  trans-92.180.4-162.5-152.5-2000113.9R137 H138N135-R137 PolarHBondContact O-N 3.34Å; N135-H138 PolarHBondContact O-N 2.78Å
136F79.7Confident73.8Confident2 Ų275.5 Ų75.51%0.00938%0.38CS..THydrogen-bonded Turntrans-61.1-15.2-169.2-172.7-124.8000116.8F122 D125 A126 R129 E134 H138 D139 F140 Y149 L173 L177F122-F136 AromaticContact CD2-CE1 3.92Å; F122-F136 HydrophobicContact CD2-CE1 3.92Å; F122-F136 HydrophobicContact CD2-CZ 4.13Å; F122-F136 AromaticContact CE2-CE1 3.72Å; F122-F136 HydrophobicContact CE2-CE1 3.72Å; F122-F136 HydrophobicContact CE2-CZ 4.39Å; F122-F136 HydrophobicContact CZ-CE1 4.5Å; D125-F136 HydrophobicContact CB-CE2 3.94Å; D125-F136 HydrophobicContact CB-CZ 4.37Å; A126-F136 HydrophobicContact CB-CD1 4.25Å; A126-F136 HydrophobicContact CB-CE1 3.97Å; A126-F136 HydrophobicContact CB-CZ 4.36Å; R129-F136 HydrophobicContact CB-CB 4.35Å; R129-F136 HydrophobicContact CG-CD2 4Å; E134-F136 PolarHBondContact O-N 2.73Å; F136-H138 PolarHBondContact O-N 3.09Å; F136-D139 HydrophobicContact CD2-CB 3.78Å; F136-D139 HydrophobicContact CE2-CB 3.89Å; F136-D139 PolarHBondContact O-N 3.25Å; F136-F140 PolarHBondContact O-N 3.38Å; F136-Y149 HydrophobicContact CE2-CE1 4.42Å; F136-Y149 AromaticContact CE2-CE2 3.75Å; F136-Y149 HydrophobicContact CE2-CE2 3.75Å; F136-Y149 AromaticContact CE2-CZ 3.65Å; F136-Y149 HydrophobicContact CZ-CD2 4.12Å; F136-Y149 HydrophobicContact CZ-CE1 4.15Å; F136-Y149 AromaticContact CZ-CE2 3.66Å; F136-Y149 HydrophobicContact CZ-CE2 3.66Å; F136-Y149 AromaticContact CZ-CZ 3.7Å; F136-L173 HydrophobicContact CD1-CD2 3.78Å; F136-L173 HydrophobicContact CE1-CD2 4.24Å; F136-L177 HydrophobicContact CB-CD1 4.04Å; F136-L177 HydrophobicContact CB-CD2 4.4Å; F136-L177 HydrophobicContact CD1-CD1 4.15Å; F136-L177 HydrophobicContact CD1-CD2 3.99Å; F136-L177 HydrophobicContact CD1-CG 4.45Å; F136-L177 HydrophobicContact CG-CD2 4.5Å
137R77.2Confident73.9Confident86 Ų8679.1 Ų79.133%0.32541%0.405SS..Hα-helixtrans-61.5-29.8179.7-169.2166.4-1701660.6112.8N135 C141 C168 L169 L173 E174N135-R137 PolarHBondContact O-N 3.34Å; R137-C141 PolarHBondContact O-N 2.72Å; R137-C141 VanDerWaalsContact O-N 3.14Å; R137-C141 PolarHBondContact O-SG 3.22Å; R137-C168 PolarHBondContact NE-O 3.24Å; R137-C168 PolarHBondContact NH2-O 2.67Å; R137-L169 PolarHBondContact NH2-O 3.1Å; R137-L173 HydrophobicContact CG-CD1 4.33Å; R137-E174 IonicContact NH1-OE1 3.38Å; R137-E174 PolarHBondContact NH1-OE1 3.07Å
138H79.1Confident74.2Confident163 Ų16380 Ų8076%0.75541%0.408SS*.Hα-helixtrans-73.1-33.4178.4-153.3-46.4000112.8N135 F136N135-H138 PolarHBondContact O-N 2.78Å; F136-H138 PolarHBondContact O-N 3.09Å
139D77.8Confident74.7Confident24 Ų2475.6 Ų75.613%0.12838%0.384CS..Hα-helixtrans-70.5-44.9171.5-67.4-30.7000110.5R129 F136 C141 N142 L145 Y149R129-D139 IonicContact CZ-OD2 3.28Å; R129-D139 IonicContact NE-OD2 2.72Å; R129-D139 PolarHBondContact NE-OD2 3.19Å; R129-D139 VanDerWaalsContact NH2-CG 3.27Å; R129-D139 IonicContact NH2-OD1 2.97Å; R129-D139 PolarHBondContact NH2-OD1 2.75Å; R129-D139 IonicContact NH2-OD2 3.16Å; R129-D139 PolarHBondContact NH2-OD2 3.28Å; F136-D139 HydrophobicContact CD2-CB 3.78Å; F136-D139 HydrophobicContact CE2-CB 3.89Å; F136-D139 PolarHBondContact O-N 3.25Å; D139-C141 VanDerWaalsContact C-N 3.35Å; D139-C141 PolarHBondContact O-N 3.28Å; D139-N142 WeakPolarHBondContact O-CB 3.16Å; D139-N142 PolarHBondContact O-N 2.86Å; D139-N142 VanDerWaalsContact O-N 3.09Å; D139-L145 HydrophobicContact CB-CD1 3.83Å; D139-Y149 HydrophobicContact CB-CE2 4.23Å
140F81.2Confident74.9Confident0 Ų071.5 Ų71.50%037%0.369CS..Hα-helixtrans-64-36.4-176.8-175.2-91.9000113.6F122 F136 N142 F146 Y149 V150 M167 F171 L173F122-F140 HydrophobicContact CD2-CD2 4.12Å; F122-F140 HydrophobicContact CD2-CE2 4.13Å; F122-F140 AromaticContact CE2-CD2 3.78Å; F122-F140 HydrophobicContact CE2-CD2 3.78Å; F122-F140 AromaticContact CE2-CE2 3.71Å; F122-F140 HydrophobicContact CE2-CE2 3.71Å; F136-F140 PolarHBondContact O-N 3.38Å; F140-N142 VanDerWaalsContact C-N 3.3Å; F140-F146 HydrophobicContact CD1-CD2 4.37Å; F140-F146 HydrophobicContact CD1-CE2 4.45Å; F140-F146 HydrophobicContact CE1-CD2 4.13Å; F140-F146 AromaticContact CE1-CE2 3.79Å; F140-F146 HydrophobicContact CE1-CE2 3.79Å; F140-F146 HydrophobicContact CE2-CE2 4.5Å; F140-F146 HydrophobicContact CZ-CD2 4.22Å; F140-F146 AromaticContact CZ-CE2 3.83Å; F140-F146 HydrophobicContact CZ-CE2 3.83Å; F140-F146 VanDerWaalsContact O-CD2 3.25Å; F140-F146 WeakPolarHBondContact O-CD2 3.45Å; F140-Y149 HydrophobicContact CD2-CD2 4.15Å; F140-V150 HydrophobicContact CE2-CG2 4.12Å; F140-V150 HydrophobicContact CZ-CG2 4.14Å; F140-M167 HydrophobicContact CE1-CB 4.41Å; F140-M167 HydrophobicContact CZ-CE 4.07Å; F140-F171 HydrophobicContact CE1-CB 4.41Å; F140-F171 HydrophobicContact CE1-CD1 4.03Å; F140-F171 HydrophobicContact CE2-CD1 4.29Å; F140-F171 HydrophobicContact CE2-CE1 4.35Å; F140-F171 AromaticContact CZ-CD1 3.63Å; F140-F171 HydrophobicContact CZ-CD1 3.63Å; F140-F171 HydrophobicContact CZ-CE1 4.07Å; F140-F171 HydrophobicContact CZ-CG 4.28Å; F140-L173 HydrophobicContact CB-CD1 4.42Å; F140-L173 HydrophobicContact CB-CD2 3.59Å; F140-L173 HydrophobicContact CD1-CD1 3.62Å; F140-L173 HydrophobicContact CD1-CD2 4.2Å; F140-L173 HydrophobicContact CD1-CG 4.37Å; F140-L173 HydrophobicContact CD2-CD2 4.04Å; F140-L173 HydrophobicContact CE1-CD1 3.94Å; F140-L173 HydrophobicContact CG-CD1 4.02Å; F140-L173 HydrophobicContact CG-CD2 3.69Å; F140-L173 HydrophobicContact CG-CG 4.3Å
141C77.9Confident75.3Confident33 Ų3376.2 Ų76.222%0.22338%0.384CS..THydrogen-bonded Turntrans-78.1-12.6176.1-66.90000113.7R137 D139 V143 Q164 C168R137-C141 PolarHBondContact O-N 2.72Å; R137-C141 VanDerWaalsContact O-N 3.14Å; R137-C141 PolarHBondContact O-SG 3.22Å; D139-C141 VanDerWaalsContact C-N 3.35Å; D139-C141 PolarHBondContact O-N 3.28Å; C141-V143 PolarHBondContact O-N 3.24Å; C141-Q164 PolarHBondContact O-NE2 2.89Å; C141-C168 HydrophobicContact CB-CB 4.03Å; C141-C168 WeakPolarHBondContact CB-SG 3.18Å; C141-C168 VanDerWaalsContact SG-CA 3.59Å; C141-C168 WeakPolarHBondContact SG-CB 3.44Å; C141-C168 CovalentContact SG-SG 2.04Å; C141-C168 PolarHBondContact SG-SG 2.98Å
142N80.2Confident75.5Confident69 Ų6972.2 Ų72.237%0.36936%0.361SS..SBendtrans-66.7130.2-178.7-174.5-3.3000111.3D139 F140 S144 L145 F146D139-N142 WeakPolarHBondContact O-CB 3.16Å; D139-N142 PolarHBondContact O-N 2.86Å; D139-N142 VanDerWaalsContact O-N 3.09Å; F140-N142 VanDerWaalsContact C-N 3.3Å; N142-S144 VanDerWaalsContact C-N 3.27Å; N142-S144 PolarHBondContact ND2-OG 3.17Å; N142-S144 PolarHBondContact O-N 2.78Å; N142-S144 PolarHBondContact OD1-N 3.33Å; N142-S144 PolarHBondContact OD1-OG 3.43Å; N142-L145 HydrophobicContact CB-CB 4.36Å; N142-L145 HydrophobicContact CB-CD1 4.28Å; N142-L145 HydrophobicContact CB-CG 4.5Å; N142-L145 PolarHBondContact O-N 3.15Å; N142-F146 VanDerWaalsContact O-CB 3.23Å; N142-F146 WeakPolarHBondContact O-CB 3.36Å; N142-F146 PolarHBondContact O-N 3.21Å
143V72.5Confident75.4Confident105 Ų10569.5 Ų69.564%0.63636%0.356SS*.Hα-helixtrans-57.1-36-174.7-176.90000112.8C141C141-V143 PolarHBondContact O-N 3.24Å
144S77Confident75.4Confident73 Ų7364 Ų6451%0.5136%0.356SS..Hα-helixtrans-76.3-42.4179.855.40000113.4N142 S147N142-S144 VanDerWaalsContact C-N 3.27Å; N142-S144 PolarHBondContact ND2-OG 3.17Å; N142-S144 PolarHBondContact O-N 2.78Å; N142-S144 PolarHBondContact OD1-N 3.33Å; N142-S144 PolarHBondContact OD1-OG 3.43Å; S144-S147 PolarHBondContact O-OG 2.88Å
145L77.2Confident74.9Confident34 Ų3461.4 Ų61.418%0.17835%0.345CS..Hα-helixtrans-79.9-32.7-176.2-64.1172.1000112.2D139 N142 S147 E148 Y149D139-L145 HydrophobicContact CB-CD1 3.83Å; N142-L145 HydrophobicContact CB-CB 4.36Å; N142-L145 HydrophobicContact CB-CD1 4.28Å; N142-L145 HydrophobicContact CB-CG 4.5Å; N142-L145 PolarHBondContact O-N 3.15Å; L145-S147 PolarHBondContact O-N 3.09Å; L145-E148 WeakPolarHBondContact O-CA 3.36Å; L145-E148 WeakPolarHBondContact O-CB 3.48Å; L145-E148 PolarHBondContact O-N 2.84Å; L145-Y149 HydrophobicContact CB-CD2 4.13Å; L145-Y149 HydrophobicContact CB-CE2 3.61Å; L145-Y149 HydrophobicContact CD1-CE2 4.5Å; L145-Y149 WeakPolarHBondContact O-CD2 3.45Å; L145-Y149 PolarHBondContact O-N 2.94Å
146F77.2Confident74.7Confident9 Ų958.7 Ų58.74%0.03933%0.334CS..Hα-helixtrans-57.8-35.5179.3-174.6-114.1000112.7F140 N142 E148 Y149 V150 F152 Q164 M167F140-F146 HydrophobicContact CD1-CD2 4.37Å; F140-F146 HydrophobicContact CD1-CE2 4.45Å; F140-F146 HydrophobicContact CE1-CD2 4.13Å; F140-F146 AromaticContact CE1-CE2 3.79Å; F140-F146 HydrophobicContact CE1-CE2 3.79Å; F140-F146 HydrophobicContact CE2-CE2 4.5Å; F140-F146 HydrophobicContact CZ-CD2 4.22Å; F140-F146 AromaticContact CZ-CE2 3.83Å; F140-F146 HydrophobicContact CZ-CE2 3.83Å; F140-F146 VanDerWaalsContact O-CD2 3.25Å; F140-F146 WeakPolarHBondContact O-CD2 3.45Å; N142-F146 VanDerWaalsContact O-CB 3.23Å; N142-F146 WeakPolarHBondContact O-CB 3.36Å; N142-F146 PolarHBondContact O-N 3.21Å; F146-E148 VanDerWaalsContact C-N 3.32Å; F146-E148 PolarHBondContact O-N 3.05Å; F146-Y149 PolarHBondContact O-N 3.33Å; F146-V150 HydrophobicContact CD2-CG2 3.98Å; F146-V150 HydrophobicContact CE2-CB 4.23Å; F146-V150 HydrophobicContact CE2-CG2 3.6Å; F146-V150 HydrophobicContact CZ-CB 4.33Å; F146-V150 HydrophobicContact CZ-CG2 4.12Å; F146-V150 PolarHBondContact O-N 3.19Å; F146-F152 HydrophobicContact CD1-CZ 4.44Å; F146-F152 HydrophobicContact CE1-CE2 4.06Å; F146-F152 AromaticContact CE1-CZ 3.56Å; F146-F152 HydrophobicContact CE1-CZ 3.56Å; F146-F152 AromaticContact CZ-CZ 3.91Å; F146-F152 HydrophobicContact CZ-CZ 3.91Å; F146-Q164 HydrophobicContact CD1-CB 3.98Å; F146-Q164 HydrophobicContact CD1-CG 3.62Å; F146-Q164 HydrophobicContact CE1-CB 3.5Å; F146-Q164 HydrophobicContact CE1-CG 3.6Å; F146-Q164 HydrophobicContact CG-CG 4.21Å; F146-Q164 HydrophobicContact CZ-CB 4.15Å; F146-Q164 HydrophobicContact CZ-CG 4.2Å; F146-M167 HydrophobicContact CE2-CB 4.12Å; F146-M167 HydrophobicContact CE2-CE 4.48Å; F146-M167 HydrophobicContact CE2-SD 4.26Å; F146-M167 HydrophobicContact CZ-CB 4Å; F146-M167 HydrophobicContact CZ-CG 4.43Å; F146-M167 HydrophobicContact CZ-SD 3.83Å
147S73.5Confident73.8Confident83 Ų8368 Ų6858%0.5837%0.374SS*.Hα-helixtrans-71.2-19.7173.439.70000115.1S144 L145S144-S147 PolarHBondContact O-OG 2.88Å; L145-S147 PolarHBondContact O-N 3.09Å
148E77.4Confident73.1Confident79 Ų7968 Ų6837%0.36939%0.392SS..Hα-helixtrans-88.7-28.6171.6-60.7-165.5133.900112T119 R121 L145 F146T119-E148 WeakPolarHBondContact CB-O 3.39Å; T119-E148 WeakPolarHBondContact CG2-O 3.08Å; T119-E148 PolarHBondContact OG1-O 3.18Å; R121-E148 WeakPolarHBondContact CD-OE2 3.21Å; R121-E148 IonicContact CZ-OE1 2.9Å; R121-E148 IonicContact CZ-OE2 2.91Å; R121-E148 IonicContact NE-OE2 3.28Å; R121-E148 PolarHBondContact NE-OE2 2.78Å; R121-E148 IonicContact NH1-OE1 3.81Å; R121-E148 PolarHBondContact NH1-OE1 3.23Å; R121-E148 IonicContact NH1-OE2 2.69Å; R121-E148 PolarHBondContact NH1-OE2 3.45Å; L145-E148 WeakPolarHBondContact O-CA 3.36Å; L145-E148 WeakPolarHBondContact O-CB 3.48Å; L145-E148 PolarHBondContact O-N 2.84Å; F146-E148 VanDerWaalsContact C-N 3.32Å; F146-E148 PolarHBondContact O-N 3.05Å
149Y80.9Confident72.2Confident3 Ų364.5 Ų64.51%0.01238%0.375CS..Hα-helixtrans-81.7-39.7178.2-64-28.2000113.3L118 T119 R121 F122 D125 F136 D139 F140 L145 F146L118-Y149 WeakPolarHBondContact CA-O 3.23Å; T119-Y149 PolarHBondContact N-O 2.69Å; R121-Y149 HydrophobicContact CG-CE1 4.31Å; F122-Y149 VanDerWaalsContact CA-CD1 3.49Å; F122-Y149 HydrophobicContact CB-CD1 3.81Å; F122-Y149 HydrophobicContact CB-CG 4.22Å; F122-Y149 HydrophobicContact CD2-CD1 4.4Å; F122-Y149 HydrophobicContact CD2-CG 4.11Å; D125-Y149 HydrophobicContact CB-CE1 4.12Å; D125-Y149 VanDerWaalsContact OD2-CE1 3.24Å; D125-Y149 WeakPolarHBondContact OD2-CE1 3.3Å; D125-Y149 PolarHBondContact OD2-OH 3.4Å; F136-Y149 HydrophobicContact CE2-CE1 4.42Å; F136-Y149 AromaticContact CE2-CE2 3.75Å; F136-Y149 HydrophobicContact CE2-CE2 3.75Å; F136-Y149 AromaticContact CE2-CZ 3.65Å; F136-Y149 HydrophobicContact CZ-CD2 4.12Å; F136-Y149 HydrophobicContact CZ-CE1 4.15Å; F136-Y149 AromaticContact CZ-CE2 3.66Å; F136-Y149 HydrophobicContact CZ-CE2 3.66Å; F136-Y149 AromaticContact CZ-CZ 3.7Å; D139-Y149 HydrophobicContact CB-CE2 4.23Å; F140-Y149 HydrophobicContact CD2-CD2 4.15Å; L145-Y149 HydrophobicContact CB-CD2 4.13Å; L145-Y149 HydrophobicContact CB-CE2 3.61Å; L145-Y149 HydrophobicContact CD1-CE2 4.5Å; L145-Y149 WeakPolarHBondContact O-CD2 3.45Å; L145-Y149 PolarHBondContact O-N 2.94Å; F146-Y149 PolarHBondContact O-N 3.33Å
150V76.1Confident71.5Confident2 Ų265 Ų651%0.01238%0.379CS..EExtended strand (participates in β ladder)trans-117.2115.6-176.1-177.60000110.9I90 C116 Y117 L118 F140 F146 F152 M167I90-V150 HydrophobicContact CD1-CG1 3.65Å; I90-V150 HydrophobicContact CD1-CG2 4.22Å; C116-V150 HydrophobicContact CB-CG1 4.24Å; Y117-V150 CarbonylContact O-C 3.6Å; Y117-V150 WeakPolarHBondContact O-CA 3.33Å; L118-V150 HydrophobicContact CD2-CG2 4.23Å; F140-V150 HydrophobicContact CE2-CG2 4.12Å; F140-V150 HydrophobicContact CZ-CG2 4.14Å; F146-V150 HydrophobicContact CD2-CG2 3.98Å; F146-V150 HydrophobicContact CE2-CB 4.23Å; F146-V150 HydrophobicContact CE2-CG2 3.6Å; F146-V150 HydrophobicContact CZ-CB 4.33Å; F146-V150 HydrophobicContact CZ-CG2 4.12Å; F146-V150 PolarHBondContact O-N 3.19Å; V150-F152 HydrophobicContact CB-CE2 4.11Å; V150-F152 HydrophobicContact CB-CZ 4.09Å; V150-F152 HydrophobicContact CG1-CD1 4.44Å; V150-F152 HydrophobicContact CG1-CD2 4.38Å; V150-F152 HydrophobicContact CG1-CE1 3.85Å; V150-F152 HydrophobicContact CG1-CE2 3.78Å; V150-F152 HydrophobicContact CG1-CZ 3.47Å; V150-F152 VanDerWaalsContact CG1-CZ 3.47Å; V150-M167 HydrophobicContact CG1-CE 4.38Å; V150-M167 HydrophobicContact CG1-SD 4.29Å; V150-M167 HydrophobicContact CG2-CE 3.94Å
151K75.9Confident70.9Confident142 Ų14268.4 Ų68.462%0.61740%0.403SS*.EExtended strand (participates in β ladder)trans-96.4113.1173.7-169.2171.7-176.1175.60110.3Y117Y117-K151 PolarHBondContact N-O 3.01Å; Y117-K151 PolarHBondContact O-N 3.47Å
152F68.6Low70.3Confident51 Ų5168.3 Ų68.322%0.22441%0.407CS..  trans-82.5142.6175.6-58.7-84.4000111.1C116 F146 V150 V155 T160 L163C116-F152 WeakPolarHBondContact SG-CD1 3.46Å; F146-F152 HydrophobicContact CD1-CZ 4.44Å; F146-F152 HydrophobicContact CE1-CE2 4.06Å; F146-F152 AromaticContact CE1-CZ 3.56Å; F146-F152 HydrophobicContact CE1-CZ 3.56Å; F146-F152 AromaticContact CZ-CZ 3.91Å; F146-F152 HydrophobicContact CZ-CZ 3.91Å; V150-F152 HydrophobicContact CB-CE2 4.11Å; V150-F152 HydrophobicContact CB-CZ 4.09Å; V150-F152 HydrophobicContact CG1-CD1 4.44Å; V150-F152 HydrophobicContact CG1-CD2 4.38Å; V150-F152 HydrophobicContact CG1-CE1 3.85Å; V150-F152 HydrophobicContact CG1-CE2 3.78Å; V150-F152 HydrophobicContact CG1-CZ 3.47Å; V150-F152 VanDerWaalsContact CG1-CZ 3.47Å; F152-V155 HydrophobicContact CB-CB 4.39Å; F152-V155 HydrophobicContact CD1-CB 4.48Å; F152-V155 HydrophobicContact CD1-CG2 4.36Å; F152-T160 HydrophobicContact CD1-CG2 4.44Å; F152-T160 HydrophobicContact CD2-CG2 4.46Å; F152-T160 HydrophobicContact CG-CG2 4.32Å; F152-L163 HydrophobicContact CD1-CD2 4.19Å; F152-L163 HydrophobicContact CE1-CB 4.32Å; F152-L163 HydrophobicContact CE1-CD2 3.79Å
153V67.2Low69.6Low84 Ų8465 Ų6551%0.50939%0.39SS..SBendtrans-128.995177.2-175.60000109.5S115 Y117S115-V153 VanDerWaalsContact CB-O 3.31Å; S115-V153 WeakPolarHBondContact CB-O 3.31Å; Y117-V153 HydrophobicContact CD2-CG2 3.86Å; Y117-V153 HydrophobicContact CE2-CB 4.42Å; Y117-V153 HydrophobicContact CE2-CG2 3.7Å
154G65.2Low69.7Low82 Ų8262 Ų6285%0.84537%0.369SS*.SBendtrans100.23.6176.700000116.5
155V61Low69.4Low23 Ų2367.8 Ų67.814%0.13938%0.379CS..  trans-91.3134.9179.6-1730000111.2D112 S115 F152 K159 T160D112-V155 HydrophobicContact CB-CG2 4.33Å; S115-V155 WeakPolarHBondContact OG-CG2 3.44Å; F152-V155 HydrophobicContact CB-CB 4.39Å; F152-V155 HydrophobicContact CD1-CB 4.48Å; F152-V155 HydrophobicContact CD1-CG2 4.36Å; V155-K159 HydrophobicContact CG1-CB 3.62Å; V155-K159 HydrophobicContact CG1-CD 4.29Å; V155-T160 HydrophobicContact CB-CG2 4.25Å; V155-T160 HydrophobicContact CG1-CG2 3.82Å
156T66.1Low69Low86 Ų8667.1 Ų67.153%0.52838%0.379SS..  trans-80.3149.5179.157.70000112.7A158 K159 T160T156-A158 PolarHBondContact O-N 3.45Å; T156-K159 WeakPolarHBondContact O-CA 3.43Å; T156-K159 WeakPolarHBondContact O-CB 3.45Å; T156-K159 PolarHBondContact O-N 2.98Å; T156-T160 PolarHBondContact O-N 3.22Å; T156-T160 VanDerWaalsContact O-N 3.12Å
157K61.7Low68.8Low196 Ų19666.7 Ų66.785%0.85238%0.377SS*.Hα-helixtrans-55.2-26.4-177.7-84.8-171.3174.8-177.40115.1T160K157-T160 WeakPolarHBondContact CA-OG1 3.43Å; K157-T160 PolarHBondContact O-OG1 2.94Å
158A61.3Low69Low86 Ų8664.4 Ų64.471%0.71136%0.361SS*.Hα-helixtrans-71.4-36.1174.600000112.3T156 S161T156-A158 PolarHBondContact O-N 3.45Å; A158-S161 PolarHBondContact O-OG 3.05Å
159K61.2Low68.7Low91 Ų9166.2 Ų66.240%0.39637%0.372SS..Hα-helixtrans-76.4-30.8175.7-72.9-176.2166.8-153.20112.9D112 V155 T156 S161 G162 L163D112-K159 IonicContact OD1-NZ 2.72Å; D112-K159 PolarHBondContact OD1-NZ 3.35Å; D112-K159 WeakPolarHBondContact OD2-CD 3.41Å; D112-K159 WeakPolarHBondContact OD2-CE 3.48Å; D112-K159 IonicContact OD2-NZ 2.68Å; D112-K159 PolarHBondContact OD2-NZ 3.5Å; V155-K159 HydrophobicContact CG1-CB 3.62Å; V155-K159 HydrophobicContact CG1-CD 4.29Å; T156-K159 WeakPolarHBondContact O-CA 3.43Å; T156-K159 WeakPolarHBondContact O-CB 3.45Å; T156-K159 PolarHBondContact O-N 2.98Å; K159-S161 VanDerWaalsContact C-N 3.27Å; K159-S161 PolarHBondContact O-N 3.01Å; K159-G162 PolarHBondContact O-N 2.84Å; K159-G162 VanDerWaalsContact O-N 3.08Å; K159-L163 PolarHBondContact O-N 2.72Å
160T62.5Low68.1Low35 Ų3570.2 Ų70.222%0.21539%0.391CS..Hα-helixtrans-64.1-26.9-173.951.30000114F152 V155 T156 K157 Q164F152-T160 HydrophobicContact CD1-CG2 4.44Å; F152-T160 HydrophobicContact CD2-CG2 4.46Å; F152-T160 HydrophobicContact CG-CG2 4.32Å; V155-T160 HydrophobicContact CB-CG2 4.25Å; V155-T160 HydrophobicContact CG1-CG2 3.82Å; T156-T160 PolarHBondContact O-N 3.22Å; T156-T160 VanDerWaalsContact O-N 3.12Å; K157-T160 WeakPolarHBondContact CA-OG1 3.43Å; K157-T160 PolarHBondContact O-OG1 2.94Å; T160-Q164 VanDerWaalsContact O-CB 3.28Å; T160-Q164 WeakPolarHBondContact O-CB 3.11Å; T160-Q164 PolarHBondContact O-N 2.64Å
161S67.4Low68Low70 Ų7070.2 Ų70.249%0.4939%0.391SS..Hα-helixtrans-70.1-38173.158.90000112.3A158 K159 Q164 R165A158-S161 PolarHBondContact O-OG 3.05Å; K159-S161 VanDerWaalsContact C-N 3.27Å; K159-S161 PolarHBondContact O-N 3.01Å; S161-Q164 PolarHBondContact O-N 2.87Å; S161-R165 PolarHBondContact O-N 3.15Å
162G65.4Low67.7Low31 Ų3164.8 Ų64.832%0.3237%0.37SS..Hα-helixtrans-63.9-46.7170.600000111.9K159 Q164 R165 A166K159-G162 PolarHBondContact O-N 2.84Å; K159-G162 VanDerWaalsContact O-N 3.08Å; G162-Q164 PolarHBondContact O-N 2.88Å; G162-R165 PolarHBondContact O-N 3.38Å; G162-A166 WeakPolarHBondContact O-CB 3.42Å; G162-A166 PolarHBondContact O-N 2.93Å
163L67.5Low67.9Low1 Ų162.4 Ų62.41%0.00536%0.359CS..Hα-helixtrans-63.6-38.8174.5-111.584.8000112.5L109 D112 L113 F152 K159 A166 M167L109-L163 HydrophobicContact CD2-CD1 3.83Å; L109-L163 HydrophobicContact CG-CD1 4.26Å; D112-L163 HydrophobicContact CB-CD1 3.75Å; D112-L163 HydrophobicContact CB-CD2 4.48Å; L113-L163 HydrophobicContact CD2-CD2 3.89Å; L113-L163 HydrophobicContact CD2-CG 4.06Å; L113-L163 HydrophobicContact CG-CD1 4.45Å; L113-L163 HydrophobicContact CG-CD2 4.03Å; L113-L163 HydrophobicContact CG-CG 4.11Å; F152-L163 HydrophobicContact CD1-CD2 4.19Å; F152-L163 HydrophobicContact CE1-CB 4.32Å; F152-L163 HydrophobicContact CE1-CD2 3.79Å; K159-L163 PolarHBondContact O-N 2.72Å; L163-A166 PolarHBondContact O-N 3.34Å; L163-M167 WeakPolarHBondContact O-CB 3.47Å; L163-M167 WeakPolarHBondContact O-CG 3.42Å; L163-M167 PolarHBondContact O-N 2.95Å
164Q73.2Confident67.9Low40 Ų4064.9 Ų64.919%0.18737%0.365CS..Hα-helixtrans-61.5-44.7175.7-178.5179.33.700111.4C141 F146 T160 S161 G162 M167 C168C141-Q164 PolarHBondContact O-NE2 2.89Å; F146-Q164 HydrophobicContact CD1-CB 3.98Å; F146-Q164 HydrophobicContact CD1-CG 3.62Å; F146-Q164 HydrophobicContact CE1-CB 3.5Å; F146-Q164 HydrophobicContact CE1-CG 3.6Å; F146-Q164 HydrophobicContact CG-CG 4.21Å; F146-Q164 HydrophobicContact CZ-CB 4.15Å; F146-Q164 HydrophobicContact CZ-CG 4.2Å; T160-Q164 VanDerWaalsContact O-CB 3.28Å; T160-Q164 WeakPolarHBondContact O-CB 3.11Å; T160-Q164 PolarHBondContact O-N 2.64Å; S161-Q164 PolarHBondContact O-N 2.87Å; G162-Q164 PolarHBondContact O-N 2.88Å; Q164-M167 PolarHBondContact O-N 3.23Å; Q164-C168 VanDerWaalsContact O-CB 3.25Å; Q164-C168 WeakPolarHBondContact O-CB 3.33Å; Q164-C168 PolarHBondContact O-N 3.45Å
165R70.9Confident67.8Low195 Ų19566.6 Ų66.674%0.73635%0.35SS*.Hα-helixtrans-63.4-48.4174.5-77.9-176.9173.3169.1-1.5111.4S161 G162 M167 C168 L169S161-R165 PolarHBondContact O-N 3.15Å; G162-R165 PolarHBondContact O-N 3.38Å; R165-M167 VanDerWaalsContact C-N 3.28Å; R165-M167 PolarHBondContact O-N 3.47Å; R165-C168 PolarHBondContact O-N 2.62Å; R165-L169 WeakPolarHBondContact O-CB 3.46Å; R165-L169 PolarHBondContact O-N 3.23Å
166A68.2Low67.9Low20 Ų2066 Ų6617%0.16535%0.346CS..Hα-helixtrans-58.3-39.5178.100000112.2L109 G162 L163 H170L109-A166 HydrophobicContact CD2-CB 4.23Å; G162-A166 WeakPolarHBondContact O-CB 3.42Å; G162-A166 PolarHBondContact O-N 2.93Å; L163-A166 PolarHBondContact O-N 3.34Å; A166-H170 WeakPolarHBondContact O-CB 3.31Å; A166-H170 PolarHBondContact O-CD2 2.68Å; A166-H170 PolarHBondContact O-N 3.15Å
167M72.9Confident67.8Low1 Ų163.5 Ų63.51%0.00533%0.329CS..Hα-helixtrans-74.4-44175.5-70.3-172.673.300112.6I90 L113 F140 F146 V150 L163 Q164 R165 L169 F171I90-M167 HydrophobicContact CD1-CE 3.61Å; I90-M167 HydrophobicContact CG1-CE 4.42Å; I90-M167 HydrophobicContact CG2-CE 4.27Å; L113-M167 HydrophobicContact CD2-CG 4.14Å; L113-M167 HydrophobicContact CD2-SD 4.41Å; F140-M167 HydrophobicContact CE1-CB 4.41Å; F140-M167 HydrophobicContact CZ-CE 4.07Å; F146-M167 HydrophobicContact CE2-CB 4.12Å; F146-M167 HydrophobicContact CE2-CE 4.48Å; F146-M167 HydrophobicContact CE2-SD 4.26Å; F146-M167 HydrophobicContact CZ-CB 4Å; F146-M167 HydrophobicContact CZ-CG 4.43Å; F146-M167 HydrophobicContact CZ-SD 3.83Å; V150-M167 HydrophobicContact CG1-CE 4.38Å; V150-M167 HydrophobicContact CG1-SD 4.29Å; V150-M167 HydrophobicContact CG2-CE 3.94Å; L163-M167 WeakPolarHBondContact O-CB 3.47Å; L163-M167 WeakPolarHBondContact O-CG 3.42Å; L163-M167 PolarHBondContact O-N 2.95Å; Q164-M167 PolarHBondContact O-N 3.23Å; R165-M167 VanDerWaalsContact C-N 3.28Å; R165-M167 PolarHBondContact O-N 3.47Å; M167-L169 VanDerWaalsContact C-N 3.25Å; M167-L169 PolarHBondContact O-N 3.45Å; M167-F171 HydrophobicContact CB-CB 4.22Å; M167-F171 HydrophobicContact CE-CD2 4.12Å; M167-F171 HydrophobicContact CE-CE2 4.49Å; M167-F171 HydrophobicContact CE-CG 4.29Å; M167-F171 WeakPolarHBondContact O-CA 3.14Å; M167-F171 WeakPolarHBondContact O-CB 3.41Å; M167-F171 PolarHBondContact O-N 2.73Å
168C78.6Confident67.8Low35 Ų3556.5 Ų56.524%0.23630%0.301CS..Hα-helixtrans-60.9-34.7177.7178.30000112.6R137 C141 Q164 R165R137-C168 PolarHBondContact NE-O 3.24Å; R137-C168 PolarHBondContact NH2-O 2.67Å; C141-C168 HydrophobicContact CB-CB 4.03Å; C141-C168 WeakPolarHBondContact CB-SG 3.18Å; C141-C168 VanDerWaalsContact SG-CA 3.59Å; C141-C168 WeakPolarHBondContact SG-CB 3.44Å; C141-C168 CovalentContact SG-SG 2.04Å; C141-C168 PolarHBondContact SG-SG 2.98Å; Q164-C168 VanDerWaalsContact O-CB 3.25Å; Q164-C168 WeakPolarHBondContact O-CB 3.33Å; Q164-C168 PolarHBondContact O-N 3.45Å; R165-C168 PolarHBondContact O-N 2.62Å
169L70.3Confident67.9Low116 Ų11655.5 Ų55.561%0.60728%0.279SS*.Hα-helixtrans-80.2-56.3176.2-75.5159.6000112.8R137 R165 M167R137-L169 PolarHBondContact NH2-O 3.1Å; R165-L169 WeakPolarHBondContact O-CB 3.46Å; R165-L169 PolarHBondContact O-N 3.23Å; M167-L169 VanDerWaalsContact C-N 3.25Å; M167-L169 PolarHBondContact O-N 3.45Å
170H69.6Low67.8Low88 Ų8860.1 Ų60.141%0.40730%0.302SS..Hα-helixtrans-105.7-4.5-166.9-50-100.2000114.8W94 A166 P172W94-H170 HydrophobicContact CZ2-CB 4.41Å; W94-H170 PolarHBondContact NE1-O 2.77Å; A166-H170 WeakPolarHBondContact O-CB 3.31Å; A166-H170 PolarHBondContact O-CD2 2.68Å; A166-H170 PolarHBondContact O-N 3.15Å; H170-P172 WeakPolarHBondContact O-CD 3.48Å
171F73.4Confident67.5Low2 Ų267.5 Ų67.51%0.00933%0.326CS..SBendtrans-75122.6172.6-168.5-110.8000109.9I90 Y93 W94 L118 F140 M167 L173 V176I90-F171 HydrophobicContact CG2-CE2 4.09Å; Y93-F171 HydrophobicContact CD2-CZ 4.5Å; Y93-F171 HydrophobicContact CG-CZ 4.39Å; W94-F171 AromaticContact NE1-CD2 3.97Å; L118-F171 HydrophobicContact CD1-CZ 4.49Å; F140-F171 HydrophobicContact CE1-CB 4.41Å; F140-F171 HydrophobicContact CE1-CD1 4.03Å; F140-F171 HydrophobicContact CE2-CD1 4.29Å; F140-F171 HydrophobicContact CE2-CE1 4.35Å; F140-F171 AromaticContact CZ-CD1 3.63Å; F140-F171 HydrophobicContact CZ-CD1 3.63Å; F140-F171 HydrophobicContact CZ-CE1 4.07Å; F140-F171 HydrophobicContact CZ-CG 4.28Å; M167-F171 HydrophobicContact CB-CB 4.22Å; M167-F171 HydrophobicContact CE-CD2 4.12Å; M167-F171 HydrophobicContact CE-CE2 4.49Å; M167-F171 HydrophobicContact CE-CG 4.29Å; M167-F171 WeakPolarHBondContact O-CA 3.14Å; M167-F171 WeakPolarHBondContact O-CB 3.41Å; M167-F171 PolarHBondContact O-N 2.73Å; F171-L173 VanDerWaalsContact C-N 3.33Å; F171-L173 HydrophobicContact CD1-CD1 4Å; F171-L173 HydrophobicContact CD1-CG 4.09Å; F171-L173 PolarHBondContact O-N 3.42Å; F171-V176 HydrophobicContact CE1-CG2 3.87Å; F171-V176 HydrophobicContact CZ-CG2 3.83Å
172P70.4Confident67.1Low27 Ų2768.3 Ų68.318%0.17532%0.319CS..  trans-84.672.9-17135.1-37.3000111.3H170 E174 K175 V176H170-P172 WeakPolarHBondContact O-CD 3.48Å; P172-E174 PolarHBondContact O-N 2.88Å; P172-K175 HydrophobicContact CB-CB 4.06Å; P172-K175 HydrophobicContact CB-CD 3.81Å; P172-K175 HydrophobicContact CB-CG 4Å; P172-K175 HydrophobicContact CG-CB 4.37Å; P172-K175 HydrophobicContact CG-CD 4.33Å; P172-K175 WeakPolarHBondContact O-CA 3.29Å; P172-K175 WeakPolarHBondContact O-CB 3.47Å; P172-K175 PolarHBondContact O-N 3.33Å; P172-V176 PolarHBondContact O-N 3.05Å
173L71.9Confident66.7Low2 Ų268.9 Ų68.91%0.0132%0.317CS..Hα-helixtrans-51.9-41.3178-83.1105.2000113F136 R137 F140 F171 K175 V176 L177F136-L173 HydrophobicContact CD1-CD2 3.78Å; F136-L173 HydrophobicContact CE1-CD2 4.24Å; R137-L173 HydrophobicContact CG-CD1 4.33Å; F140-L173 HydrophobicContact CB-CD1 4.42Å; F140-L173 HydrophobicContact CB-CD2 3.59Å; F140-L173 HydrophobicContact CD1-CD1 3.62Å; F140-L173 HydrophobicContact CD1-CD2 4.2Å; F140-L173 HydrophobicContact CD1-CG 4.37Å; F140-L173 HydrophobicContact CD2-CD2 4.04Å; F140-L173 HydrophobicContact CE1-CD1 3.94Å; F140-L173 HydrophobicContact CG-CD1 4.02Å; F140-L173 HydrophobicContact CG-CD2 3.69Å; F140-L173 HydrophobicContact CG-CG 4.3Å; F171-L173 VanDerWaalsContact C-N 3.33Å; F171-L173 HydrophobicContact CD1-CD1 4Å; F171-L173 HydrophobicContact CD1-CG 4.09Å; F171-L173 PolarHBondContact O-N 3.42Å; L173-K175 PolarHBondContact O-N 3.42Å; L173-V176 PolarHBondContact O-N 2.89Å; L173-L177 HydrophobicContact CB-CD1 4.21Å; L173-L177 HydrophobicContact CD2-CD1 4.44Å; L173-L177 WeakPolarHBondContact O-CB 3.5Å; L173-L177 PolarHBondContact O-N 3.16Å
174E67.1Low66.5Low135 Ų13576 Ų7663%0.63135%0.348SS*.Hα-helixtrans-64.7-7.4176.3-65.5152-131.100113.9R137 P172 N178R137-E174 IonicContact NH1-OE1 3.38Å; R137-E174 PolarHBondContact NH1-OE1 3.07Å; P172-E174 PolarHBondContact O-N 2.88Å; E174-N178 VanDerWaalsContact O-CB 3.29Å; E174-N178 WeakPolarHBondContact O-CB 3.43Å
175K63.2Low66Low119 Ų11977.1 Ų77.152%0.51735%0.354SS..Hα-helixtrans-103.7-17.2168.6-60.6179.2-170.3155.10113P172 L173 Y182P172-K175 HydrophobicContact CB-CB 4.06Å; P172-K175 HydrophobicContact CB-CD 3.81Å; P172-K175 HydrophobicContact CB-CG 4Å; P172-K175 HydrophobicContact CG-CB 4.37Å; P172-K175 HydrophobicContact CG-CD 4.33Å; P172-K175 WeakPolarHBondContact O-CA 3.29Å; P172-K175 WeakPolarHBondContact O-CB 3.47Å; P172-K175 PolarHBondContact O-N 3.33Å; L173-K175 PolarHBondContact O-N 3.42Å; K175-Y182 HydrophobicContact CB-CE2 3.93Å; K175-Y182 HydrophobicContact CG-CE2 4.48Å; K175-Y182 WeakPolarHBondContact O-CD2 3.26Å; K175-Y182 VanDerWaalsContact O-CE2 3.29Å; K175-Y182 WeakPolarHBondContact O-CE2 3.42Å
176V63.9Low65.6Low9 Ų969.8 Ų69.86%0.05533%0.334CS..Hα-helixtrans-91.1-35.8176.4-171.90000111.8Y93 F122 F171 P172 L173 N178Y93-V176 HydrophobicContact CD1-CB 4.44Å; Y93-V176 HydrophobicContact CD1-CG1 4.18Å; Y93-V176 HydrophobicContact CD1-CG2 3.64Å; Y93-V176 HydrophobicContact CE1-CB 4.49Å; Y93-V176 HydrophobicContact CE1-CG1 3.8Å; Y93-V176 HydrophobicContact CE1-CG2 4.14Å; Y93-V176 HydrophobicContact CG-CG2 4.12Å; F122-V176 HydrophobicContact CE1-CG1 3.86Å; F122-V176 HydrophobicContact CZ-CG1 3.82Å; F171-V176 HydrophobicContact CE1-CG2 3.87Å; F171-V176 HydrophobicContact CZ-CG2 3.83Å; P172-V176 PolarHBondContact O-N 3.05Å; L173-V176 PolarHBondContact O-N 2.89Å; V176-N178 VanDerWaalsContact C-N 3.31Å
177L63.5Low65.5Low35 Ų3569.9 Ų69.918%0.18333%0.332CS..SBendtrans-77.5-14.9177-71.1160.2000113.6A126 F136 L173 Y179A126-L177 HydrophobicContact CB-CD2 3.61Å; F136-L177 HydrophobicContact CB-CD1 4.04Å; F136-L177 HydrophobicContact CB-CD2 4.4Å; F136-L177 HydrophobicContact CD1-CD1 4.15Å; F136-L177 HydrophobicContact CD1-CD2 3.99Å; F136-L177 HydrophobicContact CD1-CG 4.45Å; F136-L177 HydrophobicContact CG-CD2 4.5Å; L173-L177 HydrophobicContact CB-CD1 4.21Å; L173-L177 HydrophobicContact CD2-CD1 4.44Å; L173-L177 WeakPolarHBondContact O-CB 3.5Å; L173-L177 PolarHBondContact O-N 3.16Å; L177-Y179 WeakPolarHBondContact O-CD1 3.4Å; L177-Y179 VanDerWaalsContact O-CE1 3.27Å; L177-Y179 WeakPolarHBondContact O-CE1 3.48Å; L177-Y179 VanDerWaalsContact O-CZ 3.3Å; L177-Y179 PolarHBondContact O-N 2.94Å; L177-Y179 VanDerWaalsContact O-N 3.09Å
178N62.5Low65.1Low49 Ų4972.3 Ų72.326%0.26235%0.352SS..  trans-90.777-168.7-163.2-32.3000111.2E174 V176 E180 R181 Y182E174-N178 VanDerWaalsContact O-CB 3.29Å; E174-N178 WeakPolarHBondContact O-CB 3.43Å; V176-N178 VanDerWaalsContact C-N 3.31Å; N178-E180 PolarHBondContact O-N 2.8Å; N178-R181 HydrophobicContact CB-CB 4.28Å; N178-R181 PolarHBondContact O-N 2.85Å; N178-R181 WeakPolarHBondContact OD1-CB 3.32Å; N178-R181 PolarHBondContact OD1-N 2.92Å; N178-R181 VanDerWaalsContact OD1-N 3.13Å; N178-Y182 PolarHBondContact O-N 3.43Å; N178-Y182 VanDerWaalsContact O-N 3.1Å
179Y62.8Low64.7Low65 Ų6571.8 Ų71.826%0.25535%0.347SS..THydrogen-bonded Turntrans-59.6-32.5-179.6-37.5-50.6000112.3A126 L127 S130 L177 R181 Y182 P183A126-Y179 PolarHBondContact O-OH 3.47Å; L127-Y179 WeakPolarHBondContact CA-OH 3.21Å; S130-Y179 VanDerWaalsContact CB-OH 3.26Å; S130-Y179 WeakPolarHBondContact CB-OH 3.36Å; S130-Y179 VanDerWaalsContact OG-CE2 3.27Å; S130-Y179 WeakPolarHBondContact OG-CE2 3.5Å; L177-Y179 WeakPolarHBondContact O-CD1 3.4Å; L177-Y179 VanDerWaalsContact O-CE1 3.27Å; L177-Y179 WeakPolarHBondContact O-CE1 3.48Å; L177-Y179 VanDerWaalsContact O-CZ 3.3Å; L177-Y179 PolarHBondContact O-N 2.94Å; L177-Y179 VanDerWaalsContact O-N 3.09Å; Y179-R181 PolarHBondContact O-N 2.83Å; Y179-Y182 CarbonylContact O-C 3.49Å; Y179-Y182 PolarHBondContact O-N 3.45Å; Y179-P183 WeakPolarHBondContact O-CA 3.22Å
180E58.6Low64.6Low187 Ų18769.7 Ų69.787%0.87433%0.333SS*.THydrogen-bonded Turntrans-62.6-30.8175.8-56.1-176.7151.500111.9N178N178-E180 PolarHBondContact O-N 2.8Å
181R56.4Low64.7Low190 Ų19068.2 Ų68.272%0.71733%0.326SS*.THydrogen-bonded Turntrans-94.6-19.2178.7-127.6172.3-172.1167.23.4114.6N178 Y179N178-R181 HydrophobicContact CB-CB 4.28Å; N178-R181 PolarHBondContact O-N 2.85Å; N178-R181 WeakPolarHBondContact OD1-CB 3.32Å; N178-R181 PolarHBondContact OD1-N 2.92Å; N178-R181 VanDerWaalsContact OD1-N 3.13Å; Y179-R181 PolarHBondContact O-N 2.83Å
182Y59.7Low64.4Low88 Ų8869.7 Ų69.735%0.34533%0.334SS..  trans-136.860.6-177.4-62.7-72.9000113.1K175 N178 Y179 F184 Q185K175-Y182 HydrophobicContact CB-CE2 3.93Å; K175-Y182 HydrophobicContact CG-CE2 4.48Å; K175-Y182 WeakPolarHBondContact O-CD2 3.26Å; K175-Y182 VanDerWaalsContact O-CE2 3.29Å; K175-Y182 WeakPolarHBondContact O-CE2 3.42Å; N178-Y182 PolarHBondContact O-N 3.43Å; N178-Y182 VanDerWaalsContact O-N 3.1Å; Y179-Y182 CarbonylContact O-C 3.49Å; Y179-Y182 PolarHBondContact O-N 3.45Å; Y182-F184 PolarHBondContact O-N 3.33Å; Y182-F184 VanDerWaalsContact O-N 3.11Å; Y182-Q185 WeakPolarHBondContact O-CB 3.41Å; Y182-Q185 PolarHBondContact O-N 2.86Å
183P56.3Low64.3Low43 Ų4371.9 Ų71.928%0.27934%0.344SS..Hα-helixtrans-65.5-22.7-167.628.2-38000114.2Y179 Q185 A186 L187 L200 I204Y179-P183 WeakPolarHBondContact O-CA 3.22Å; P183-Q185 PolarHBondContact O-N 3.4Å; P183-A186 PolarHBondContact O-N 3.19Å; P183-L187 PolarHBondContact O-N 3.44Å; P183-L187 VanDerWaalsContact O-N 3.07Å; P183-L200 HydrophobicContact CB-CD1 3.94Å; P183-L200 HydrophobicContact CG-CD1 4.34Å; P183-I204 HydrophobicContact CB-CD1 4.44Å
184F63.3Low64.1Low150 Ų15073.9 Ų73.966%0.65836%0.356SS*.Hα-helixtrans-56.2-29.9170.4-73.6-82.5000113.5Y182 A188 L200Y182-F184 PolarHBondContact O-N 3.33Å; Y182-F184 VanDerWaalsContact O-N 3.11Å; F184-A188 PolarHBondContact O-N 2.93Å; F184-L200 HydrophobicContact CD1-CD2 4.09Å; F184-L200 HydrophobicContact CD2-CD2 4.1Å; F184-L200 HydrophobicContact CE1-CD2 3.81Å; F184-L200 HydrophobicContact CE2-CD2 3.8Å; F184-L200 HydrophobicContact CG-CD2 4.23Å; F184-L200 HydrophobicContact CZ-CD2 3.66Å
185Q63.5Low64.2Low64 Ų6468 Ų6830%0.29933%0.332SS..Hα-helixtrans-76.3-37.8179.8-58.8-177.618.100111.6Y182 P183 L187 L189Y182-Q185 WeakPolarHBondContact O-CB 3.41Å; Y182-Q185 PolarHBondContact O-N 2.86Å; P183-Q185 PolarHBondContact O-N 3.4Å; Q185-L187 VanDerWaalsContact C-N 3.32Å; Q185-L189 WeakPolarHBondContact O-CB 3.27Å; Q185-L189 PolarHBondContact O-N 3.19Å
186A62.1Low64.6Low40 Ų4063.8 Ų63.833%0.33131%0.313SS..Hα-helixtrans-66.4-35.3173.300000111.7P183 L189 F190P183-A186 PolarHBondContact O-N 3.19Å; A186-L189 PolarHBondContact O-N 3.11Å; A186-F190 PolarHBondContact O-N 3.2Å
187L64.6Low64.9Low23 Ų2364.1 Ų64.112%0.1232%0.316CS..Hα-helixtrans-64.6-51.4177.2-155.777.2000112.3P183 Q185 L189 F190 E191 I198 L200 A203P183-L187 PolarHBondContact O-N 3.44Å; P183-L187 VanDerWaalsContact O-N 3.07Å; Q185-L187 VanDerWaalsContact C-N 3.32Å; L187-L189 PolarHBondContact O-N 3.18Å; L187-F190 WeakPolarHBondContact O-CB 3.33Å; L187-F190 PolarHBondContact O-N 3.04Å; L187-E191 WeakPolarHBondContact O-CG 3.43Å; L187-E191 PolarHBondContact O-N 3.32Å; L187-I198 WeakPolarHBondContact CD1-O 3.38Å; L187-I198 WeakPolarHBondContact CD2-O 3.44Å; L187-L200 HydrophobicContact CB-CD1 4.09Å; L187-L200 HydrophobicContact CD1-CD1 4.3Å; L187-L200 HydrophobicContact CD2-CB 3.93Å; L187-L200 HydrophobicContact CD2-CD1 4.06Å; L187-L200 HydrophobicContact CG-CD1 4.4Å; L187-A203 HydrophobicContact CD1-CB 3.41Å; L187-A203 VanDerWaalsContact CD1-CB 3.41Å
188A65.8Low65.3Low51 Ų5163.1 Ų63.142%0.42131%0.31SS..Hα-helixtrans-61.3-27.2176.800000112.6F184 N192F184-A188 PolarHBondContact O-N 2.93Å; A188-N192 WeakPolarHBondContact O-CB 3.29Å; A188-N192 PolarHBondContact O-N 3.24Å
189L68.8Low65.8Low24 Ų2463.8 Ų63.813%0.12632%0.319CS..Hα-helixtrans-74.7-41.7173.1-168.570.1000112.1F85 F123 L127 Q185 A186 L187 E191 N192 I193F85-L189 HydrophobicContact CE2-CD1 4.17Å; F123-L189 HydrophobicContact CB-CD1 3.77Å; F123-L189 HydrophobicContact CB-CD2 4.43Å; F123-L189 HydrophobicContact CD1-CD1 4.39Å; F123-L189 HydrophobicContact CG-CD1 4.05Å; L127-L189 HydrophobicContact CD1-CD2 3.56Å; Q185-L189 WeakPolarHBondContact O-CB 3.27Å; Q185-L189 PolarHBondContact O-N 3.19Å; A186-L189 PolarHBondContact O-N 3.11Å; L187-L189 PolarHBondContact O-N 3.18Å; L189-E191 VanDerWaalsContact C-N 3.34Å; L189-E191 PolarHBondContact O-N 3.49Å; L189-N192 PolarHBondContact O-N 2.85Å; L189-I193 HydrophobicContact CD1-CD1 4.28Å; L189-I193 HydrophobicContact CD2-CD1 4.44Å; L189-I193 HydrophobicContact CG-CD1 3.86Å; L189-I193 WeakPolarHBondContact O-CB 3.45Å; L189-I193 VanDerWaalsContact O-CG1 3.26Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 2.85Å; L189-I193 VanDerWaalsContact O-N 3.1Å
190F69.7Low66.1Low73 Ų7362.4 Ų62.432%0.3232%0.316SS..Hα-helixtrans-60.7-41.8174.8-178.7-84000111.9A186 L187 I193 T194 I198A186-F190 PolarHBondContact O-N 3.2Å; L187-F190 WeakPolarHBondContact O-CB 3.33Å; L187-F190 PolarHBondContact O-N 3.04Å; F190-I193 PolarHBondContact O-N 3.13Å; F190-T194 HydrophobicContact CD1-CG2 4.33Å; F190-T194 HydrophobicContact CD2-CG2 4.04Å; F190-T194 HydrophobicContact CE1-CG2 4.01Å; F190-T194 WeakPolarHBondContact CE1-OG1 3.15Å; F190-T194 HydrophobicContact CE2-CG2 3.72Å; F190-T194 HydrophobicContact CG-CG2 4.34Å; F190-T194 HydrophobicContact CZ-CG2 3.7Å; F190-T194 PolarHBondContact O-N 2.84Å; F190-T194 PolarHBondContact O-OG1 2.76Å; F190-I198 HydrophobicContact CD1-CD1 4.49Å; F190-I198 HydrophobicContact CD1-CG1 4.47Å; F190-I198 HydrophobicContact CE1-CB 4.48Å; F190-I198 HydrophobicContact CE1-CD1 3.49Å; F190-I198 VanDerWaalsContact CE1-CD1 3.49Å; F190-I198 HydrophobicContact CE1-CG1 3.75Å; F190-I198 HydrophobicContact CZ-CD1 3.66Å; F190-I198 HydrophobicContact CZ-CG1 4.43Å
191E71Confident66.7Low57 Ų5758.1 Ų58.127%0.26630%0.302SS..Hα-helixtrans-60.9-45.4174.5-70.5178.7152.400111.8L187 L189 I193 G195L187-E191 WeakPolarHBondContact O-CG 3.43Å; L187-E191 PolarHBondContact O-N 3.32Å; L189-E191 VanDerWaalsContact C-N 3.34Å; L189-E191 PolarHBondContact O-N 3.49Å; E191-I193 PolarHBondContact O-N 3.37Å; E191-G195 PolarHBondContact O-N 3.41Å
192N67.6Low67.5Low33 Ų3349.3 Ų49.318%0.17627%0.27CS..Hα-helixtrans-71.9-7.9176.9-103.66.6000114.6F85 E86 A188 L189F85-N192 HydrophobicContact CD2-CB 3.77Å; F85-N192 HydrophobicContact CE2-CB 4.19Å; E86-N192 PolarHBondContact N-ND2 3.46Å; A188-N192 WeakPolarHBondContact O-CB 3.29Å; A188-N192 PolarHBondContact O-N 3.24Å; L189-N192 PolarHBondContact O-N 2.85Å
193I67.9Low67.8Low72 Ų7246.3 Ų46.337%0.36926%0.263SS..Hα-helixtrans-108.2-47.8-179.5-72.2172.5000111.7L189 F190 E191L189-I193 HydrophobicContact CD1-CD1 4.28Å; L189-I193 HydrophobicContact CD2-CD1 4.44Å; L189-I193 HydrophobicContact CG-CD1 3.86Å; L189-I193 WeakPolarHBondContact O-CB 3.45Å; L189-I193 VanDerWaalsContact O-CG1 3.26Å; L189-I193 WeakPolarHBondContact O-CG1 3.49Å; L189-I193 PolarHBondContact O-N 2.85Å; L189-I193 VanDerWaalsContact O-N 3.1Å; F190-I193 PolarHBondContact O-N 3.13Å; E191-I193 PolarHBondContact O-N 3.37Å
194T67.9Low68.6Low45 Ų4548.4 Ų48.428%0.27627%0.271SS..Hα-helixtrans-93.4-15.7-172.165.80000113.9F190 Y196F190-T194 HydrophobicContact CD1-CG2 4.33Å; F190-T194 HydrophobicContact CD2-CG2 4.04Å; F190-T194 HydrophobicContact CE1-CG2 4.01Å; F190-T194 WeakPolarHBondContact CE1-OG1 3.15Å; F190-T194 HydrophobicContact CE2-CG2 3.72Å; F190-T194 HydrophobicContact CG-CG2 4.34Å; F190-T194 HydrophobicContact CZ-CG2 3.7Å; F190-T194 PolarHBondContact O-N 2.84Å; F190-T194 PolarHBondContact O-OG1 2.76Å; T194-Y196 WeakPolarHBondContact O-CD2 3.42Å; T194-Y196 PolarHBondContact O-N 2.92Å; T194-Y196 PolarHBondContact OG1-N 3.01Å; T194-Y196 PolarHBondContact OG1-O 3.41Å
195G69.3Low69Low11 Ų1146.1 Ų46.111%0.11326%0.261CS..SBendtrans72.4-4.1-171.900000114.6Q81 K82 E191Q81-G195 PolarHBondContact N-O 3.21Å; K82-G195 PolarHBondContact N-O 2.85Å; K82-G195 VanDerWaalsContact N-O 3.09Å; K82-G195 WeakPolarHBondContact O-CA 3.43Å; E191-G195 PolarHBondContact O-N 3.41Å
196Y72.1Confident69.5Low31 Ų3145.1 Ų45.112%0.12226%0.259CS..EExtended strand (participates in β ladder)trans-101.3126.3177.3-70.3-76.1000111V78 K79 Q80 T194 I401V78-Y196 HydrophobicContact CG1-CD1 3.62Å; V78-Y196 HydrophobicContact CG1-CG 3.91Å; K79-Y196 CarbonylContact O-C 3.55Å; K79-Y196 WeakPolarHBondContact O-CA 3.21Å; Q80-Y196 HydrophobicContact CB-CD1 3.97Å; Q80-Y196 HydrophobicContact CB-CE1 3.85Å; Q80-Y196 HydrophobicContact CG-CD1 4.2Å; Q80-Y196 HydrophobicContact CG-CE1 3.9Å; T194-Y196 WeakPolarHBondContact O-CD2 3.42Å; T194-Y196 PolarHBondContact O-N 2.92Å; T194-Y196 PolarHBondContact OG1-N 3.01Å; T194-Y196 PolarHBondContact OG1-O 3.41Å; Y196-I401 HydrophobicContact CD2-CG1 4.34Å; Y196-I401 HydrophobicContact CE2-CG1 4.09Å
197S70.1Confident69.9Low16 Ų1648.6 Ų48.611%0.11227%0.272CS..EExtended strand (participates in β ladder)trans-83.4124.7169.161.30000110.8K79K79-S197 PolarHBondContact N-O 3.43Å; K79-S197 PolarHBondContact O-N 3.31Å; K79-S197 PolarHBondContact O-OG 3.32Å; K79-S197 VanDerWaalsContact O-OG 3.05Å
198I72.3Confident70.3Confident14 Ų1453.5 Ų53.57%0.07229%0.294CS..  trans-125134.4173.8-54.5-170.6000106.5V78 L187 F190 A203V78-I198 HydrophobicContact CG1-CD1 4.36Å; V78-I198 HydrophobicContact CG1-CG1 4.02Å; V78-I198 HydrophobicContact CG2-CD1 3.89Å; V78-I198 HydrophobicContact CG2-CG1 3.97Å; L187-I198 WeakPolarHBondContact CD1-O 3.38Å; L187-I198 WeakPolarHBondContact CD2-O 3.44Å; F190-I198 HydrophobicContact CD1-CD1 4.49Å; F190-I198 HydrophobicContact CD1-CG1 4.47Å; F190-I198 HydrophobicContact CE1-CB 4.48Å; F190-I198 HydrophobicContact CE1-CD1 3.49Å; F190-I198 VanDerWaalsContact CE1-CD1 3.49Å; F190-I198 HydrophobicContact CE1-CG1 3.75Å; F190-I198 HydrophobicContact CZ-CD1 3.66Å; F190-I198 HydrophobicContact CZ-CG1 4.43Å; I198-A203 HydrophobicContact CB-CB 4.45Å; I198-A203 HydrophobicContact CG2-CB 4.01Å
199S71.9Confident70.7Confident63 Ų6351.8 Ų51.844%0.44128%0.278SS..  trans-62.2153.8176.260.90000111.4T201 G202 A203S199-T201 PolarHBondContact O-N 3.09Å; S199-T201 VanDerWaalsContact O-N 3.15Å; S199-T201 PolarHBondContact OG-OG1 3.08Å; S199-G202 WeakPolarHBondContact O-CA 3.27Å; S199-G202 PolarHBondContact O-N 2.82Å; S199-G202 PolarHBondContact OG-N 3.42Å; S199-G202 VanDerWaalsContact OG-N 3.14Å; S199-A203 PolarHBondContact O-N 3.13Å
200L68.9Low70.8Confident36 Ų3653.2 Ų53.219%0.18829%0.293CS..Hα-helixtrans-52.4-41.2176.9-167.370.5000111.9P183 F184 L187 G202 I204P183-L200 HydrophobicContact CB-CD1 3.94Å; P183-L200 HydrophobicContact CG-CD1 4.34Å; F184-L200 HydrophobicContact CD1-CD2 4.09Å; F184-L200 HydrophobicContact CD2-CD2 4.1Å; F184-L200 HydrophobicContact CE1-CD2 3.81Å; F184-L200 HydrophobicContact CE2-CD2 3.8Å; F184-L200 HydrophobicContact CG-CD2 4.23Å; F184-L200 HydrophobicContact CZ-CD2 3.66Å; L187-L200 HydrophobicContact CB-CD1 4.09Å; L187-L200 HydrophobicContact CD1-CD1 4.3Å; L187-L200 HydrophobicContact CD2-CB 3.93Å; L187-L200 HydrophobicContact CD2-CD1 4.06Å; L187-L200 HydrophobicContact CG-CD1 4.4Å; L200-G202 VanDerWaalsContact C-N 3.32Å; L200-G202 PolarHBondContact O-N 3.32Å; L200-I204 HydrophobicContact CG-CD1 4.15Å; L200-I204 WeakPolarHBondContact O-CD1 3.41Å; L200-I204 VanDerWaalsContact O-CG1 3.3Å; L200-I204 WeakPolarHBondContact O-CG1 3.4Å; L200-I204 PolarHBondContact O-N 3.22Å
201T72.6Confident70.9Confident97 Ų9755.7 Ų55.760%0.59530%0.304SS*.Hα-helixtrans-73.4-17.9177.3500000114.2S199 K205S199-T201 PolarHBondContact O-N 3.09Å; S199-T201 VanDerWaalsContact O-N 3.15Å; S199-T201 PolarHBondContact OG-OG1 3.08Å; T201-K205 VanDerWaalsContact O-CD 3.26Å; T201-K205 WeakPolarHBondContact O-CD 3.38Å; T201-K205 VanDerWaalsContact O-CG 3.27Å; T201-K205 WeakPolarHBondContact O-CG 3.41Å
202G71.3Confident71Confident4 Ų455.9 Ų55.94%0.04131%0.308CS..Hα-helixtrans-85.8-47.2171.800000112.2S199 L200 I204 K205 V206S199-G202 WeakPolarHBondContact O-CA 3.27Å; S199-G202 PolarHBondContact O-N 2.82Å; S199-G202 PolarHBondContact OG-N 3.42Å; S199-G202 VanDerWaalsContact OG-N 3.14Å; L200-G202 VanDerWaalsContact C-N 3.32Å; L200-G202 PolarHBondContact O-N 3.32Å; G202-I204 PolarHBondContact O-N 3.01Å; G202-K205 WeakPolarHBondContact O-CB 3.34Å; G202-K205 PolarHBondContact O-N 3.39Å; G202-V206 WeakPolarHBondContact O-CG2 3.32Å; G202-V206 PolarHBondContact O-N 2.92Å
203A67.8Low71.2Confident25 Ų2555.3 Ų55.321%0.20731%0.306CS..Hα-helixtrans-65.7-41.3-175.800000112.6L187 I198 S199 K205 V206 L207L187-A203 HydrophobicContact CD1-CB 3.41Å; L187-A203 VanDerWaalsContact CD1-CB 3.41Å; I198-A203 HydrophobicContact CB-CB 4.45Å; I198-A203 HydrophobicContact CG2-CB 4.01Å; S199-A203 PolarHBondContact O-N 3.13Å; A203-K205 VanDerWaalsContact C-N 3.33Å; A203-K205 PolarHBondContact O-N 3.06Å; A203-V206 PolarHBondContact O-N 3.31Å; A203-L207 PolarHBondContact O-N 3.34Å
204I72.3Confident71.4Confident87 Ų8757.9 Ų57.945%0.44632%0.316SS..Hα-helixtrans-59.1-45.8174.6-68169.5000110.3P183 L200 G202 L207 E208P183-I204 HydrophobicContact CB-CD1 4.44Å; L200-I204 HydrophobicContact CG-CD1 4.15Å; L200-I204 WeakPolarHBondContact O-CD1 3.41Å; L200-I204 VanDerWaalsContact O-CG1 3.3Å; L200-I204 WeakPolarHBondContact O-CG1 3.4Å; L200-I204 PolarHBondContact O-N 3.22Å; G202-I204 PolarHBondContact O-N 3.01Å; I204-L207 PolarHBondContact O-N 3.03Å; I204-E208 WeakPolarHBondContact O-CB 3.48Å; I204-E208 PolarHBondContact O-N 3.42Å
205K71.9Confident71.5Confident103 Ų10364.6 Ų64.645%0.44834%0.336SS..Hα-helixtrans-61.2-47.5177-71.6179.3-175.7-175.90112T74 T201 G202 A203 L207 E208 I209T74-K205 HydrophobicContact CG2-CB 4.28Å; T201-K205 VanDerWaalsContact O-CD 3.26Å; T201-K205 WeakPolarHBondContact O-CD 3.38Å; T201-K205 VanDerWaalsContact O-CG 3.27Å; T201-K205 WeakPolarHBondContact O-CG 3.41Å; G202-K205 WeakPolarHBondContact O-CB 3.34Å; G202-K205 PolarHBondContact O-N 3.39Å; A203-K205 VanDerWaalsContact C-N 3.33Å; A203-K205 PolarHBondContact O-N 3.06Å; K205-L207 VanDerWaalsContact C-N 3.3Å; K205-L207 PolarHBondContact O-N 2.88Å; K205-E208 PolarHBondContact O-N 3.46Å; K205-I209 HydrophobicContact CB-CD1 4.23Å; K205-I209 WeakPolarHBondContact O-CB 3.34Å; K205-I209 WeakPolarHBondContact O-CD1 3.39Å; K205-I209 WeakPolarHBondContact O-CG1 3.33Å; K205-I209 PolarHBondContact O-N 2.74Å
206V72.7Confident71.5Confident42 Ų4264.2 Ų64.226%0.25533%0.332SS..Hα-helixtrans-58.2-42.7178.5172.20000111.3L71 T74 G202 A203 A210L71-V206 HydrophobicContact CD1-CG1 4.34Å; T74-V206 HydrophobicContact CG2-CG2 4.38Å; T74-V206 VanDerWaalsContact OG1-CG2 3.31Å; T74-V206 WeakPolarHBondContact OG1-CG2 3.19Å; G202-V206 WeakPolarHBondContact O-CG2 3.32Å; G202-V206 PolarHBondContact O-N 2.92Å; A203-V206 PolarHBondContact O-N 3.31Å; V206-A210 WeakPolarHBondContact O-CB 3.27Å; V206-A210 PolarHBondContact O-N 3.25Å
207L71.6Confident71.4Confident113 Ų11365.7 Ų65.759%0.59234%0.341SS*.Hα-helixtrans-68.3-37.6179.3-159.992.8000112.9A203 I204 K205 K211A203-L207 PolarHBondContact O-N 3.34Å; I204-L207 PolarHBondContact O-N 3.03Å; K205-L207 VanDerWaalsContact C-N 3.3Å; K205-L207 PolarHBondContact O-N 2.88Å; L207-K211 PolarHBondContact O-N 2.96Å
208E72.5Confident71.5Confident127 Ų12769 Ų6959%0.59336%0.358SS*.Hα-helixtrans-66.4-46.5175.8-175.5171.7-143.300111.3I204 K205 K211 T212I204-E208 WeakPolarHBondContact O-CB 3.48Å; I204-E208 PolarHBondContact O-N 3.42Å; K205-E208 PolarHBondContact O-N 3.46Å; E208-K211 PolarHBondContact O-N 3.32Å; E208-T212 PolarHBondContact O-N 3.41Å
209I73.9Confident71.4Confident15 Ų1570 Ų708%0.07737%0.365CS..Hα-helixtrans-64.8-39.7177.4-65.7157.1000112G67 V70 L71 K205 K211 T212 L213G67-I209 WeakPolarHBondContact O-CG2 3.49Å; V70-I209 HydrophobicContact CB-CD1 3.57Å; V70-I209 HydrophobicContact CB-CG1 4.43Å; V70-I209 HydrophobicContact CG1-CD1 3.48Å; V70-I209 VanDerWaalsContact CG1-CD1 3.48Å; L71-I209 HydrophobicContact CB-CG2 4.21Å; K205-I209 HydrophobicContact CB-CD1 4.23Å; K205-I209 WeakPolarHBondContact O-CB 3.34Å; K205-I209 WeakPolarHBondContact O-CD1 3.39Å; K205-I209 WeakPolarHBondContact O-CG1 3.33Å; K205-I209 PolarHBondContact O-N 2.74Å; I209-K211 VanDerWaalsContact C-N 3.31Å; I209-K211 PolarHBondContact O-N 3.03Å; I209-T212 PolarHBondContact O-N 3.07Å; I209-T212 PolarHBondContact O-OG1 2.65Å; I209-L213 HydrophobicContact CG2-CD1 3.65Å; I209-L213 HydrophobicContact CG2-CG 4.06Å; I209-L213 WeakPolarHBondContact O-CB 3.2Å; I209-L213 WeakPolarHBondContact O-CG 3.44Å; I209-L213 PolarHBondContact O-N 3.18Å
210A71.1Confident71.2Confident53 Ų5370.2 Ų70.244%0.43836%0.361SS..Hα-helixtrans-59.3-43.4178.500000111.7V206 T212 L213 E214V206-A210 WeakPolarHBondContact O-CB 3.27Å; V206-A210 PolarHBondContact O-N 3.25Å; A210-T212 VanDerWaalsContact C-N 3.29Å; A210-T212 PolarHBondContact O-N 3.23Å; A210-L213 PolarHBondContact O-N 3.05Å; A210-E214 PolarHBondContact O-N 3.48Å; A210-E214 VanDerWaalsContact O-N 3.16Å
211K72.2Confident71.2Confident126 Ų12671.6 Ų71.655%0.54837%0.373SS..Hα-helixtrans-68.2-22.2178.3-72.3179.5177.5178.70114.2L207 E208 I209L207-K211 PolarHBondContact O-N 2.96Å; E208-K211 PolarHBondContact O-N 3.32Å; I209-K211 VanDerWaalsContact C-N 3.31Å; I209-K211 PolarHBondContact O-N 3.03Å
212T72.3Confident71Confident60 Ų6072.6 Ų72.637%0.36838%0.375SS..Hα-helixtrans-89.4-37.217559.40000112.1V63 E208 I209 A210V63-T212 WeakPolarHBondContact CG1-O 3.15Å; E208-T212 PolarHBondContact O-N 3.41Å; I209-T212 PolarHBondContact O-N 3.07Å; I209-T212 PolarHBondContact O-OG1 2.65Å; A210-T212 VanDerWaalsContact C-N 3.29Å; A210-T212 PolarHBondContact O-N 3.23Å
213L73.1Confident71Confident22 Ų2272.9 Ų72.912%0.11538%0.376CS..Hα-helixtrans-61.6-42.2175.2-77.2172.5000113.3I64 V68 L71 I209 A210 R215 A216 L217I64-L213 HydrophobicContact CB-CD2 4.47Å; I64-L213 HydrophobicContact CG1-CD2 4.35Å; V68-L213 HydrophobicContact CG2-CD2 4.22Å; L71-L213 HydrophobicContact CD2-CD1 4.06Å; I209-L213 HydrophobicContact CG2-CD1 3.65Å; I209-L213 HydrophobicContact CG2-CG 4.06Å; I209-L213 WeakPolarHBondContact O-CB 3.2Å; I209-L213 WeakPolarHBondContact O-CG 3.44Å; I209-L213 PolarHBondContact O-N 3.18Å; A210-L213 PolarHBondContact O-N 3.05Å; L213-R215 PolarHBondContact O-N 2.94Å; L213-A216 PolarHBondContact O-N 3.44Å; L213-L217 WeakPolarHBondContact O-CG 3.28Å; L213-L217 PolarHBondContact O-N 3.27Å
214E70.6Confident71.2Confident125 Ų12577.5 Ų77.558%0.58439%0.389SS*.Hα-helixtrans-54.4-48-176.8-176.6-177.6-174.800112.7A210 A216A210-E214 PolarHBondContact O-N 3.48Å; A210-E214 VanDerWaalsContact O-N 3.16Å; E214-A216 PolarHBondContact O-N 2.91Å
215R71.7Confident71.2Confident186 Ų18675 Ų7570%0.70238%0.378SS*.Hα-helixtrans-65.5-41.9-179.5-57.2-178.5-165.3160.64.4111.9L213 L217 N218L213-R215 PolarHBondContact O-N 2.94Å; R215-L217 VanDerWaalsContact C-N 3.35Å; R215-N218 PolarHBondContact O-N 3.4Å
216A68.1Low71Confident3 Ų377.6 Ų77.63%0.02539%0.385CS..Hα-helixtrans-74.8-23.2-175.500000113.4S60 V63 I64 L213 E214 T219 L220S60-A216 WeakPolarHBondContact O-CB 3.15Å; V63-A216 HydrophobicContact CB-CB 4.14Å; V63-A216 HydrophobicContact CG1-CB 3.91Å; I64-A216 HydrophobicContact CD1-CB 4.15Å; I64-A216 WeakPolarHBondContact CD1-O 3.31Å; I64-A216 HydrophobicContact CG1-CB 3.76Å; L213-A216 PolarHBondContact O-N 3.44Å; E214-A216 PolarHBondContact O-N 2.91Å; A216-T219 PolarHBondContact O-OG1 2.9Å; A216-L220 PolarHBondContact O-N 3.39Å
217L71.3Confident70.9Confident62 Ų6280.6 Ų80.633%0.32540%0.396SS..Hα-helixtrans-73.3-37.4173.1-78.8162.9000112.3I64 L213 R215 T219 L220 S221I64-L217 HydrophobicContact CD1-CD2 4.44Å; L213-L217 WeakPolarHBondContact O-CG 3.28Å; L213-L217 PolarHBondContact O-N 3.27Å; R215-L217 VanDerWaalsContact C-N 3.35Å; L217-T219 VanDerWaalsContact C-N 3.34Å; L217-T219 PolarHBondContact O-N 3.02Å; L217-L220 PolarHBondContact O-N 3.39Å; L217-S221 PolarHBondContact O-N 3Å
218N71.4Confident70.8Confident86 Ų8676.2 Ų76.246%0.4638%0.375SS..Hα-helixtrans-68.5-30.1179.5-68.4-20000113.2R215 S221R215-N218 PolarHBondContact O-N 3.4Å; N218-S221 PolarHBondContact O-OG 3.22Å
219T70.1Confident70.7Confident34 Ų3473.7 Ų73.721%0.20937%0.365CS..Hα-helixtrans-75.3-33.4172.845.10000111.7D56 S60 A216 L217D56-T219 HydrophobicContact CB-CG2 4.03Å; S60-T219 WeakPolarHBondContact CB-OG1 3.41Å; S60-T219 PolarHBondContact OG-OG1 3.07Å; A216-T219 PolarHBondContact O-OG1 2.9Å; L217-T219 VanDerWaalsContact C-N 3.34Å; L217-T219 PolarHBondContact O-N 3.02Å
220L68.2Low70.5Confident69 Ų6977.4 Ų77.436%0.36139%0.385SS..Hα-helixtrans-70.9-33.9176.1-159.978.6000112.9F57 V61 I64 A216 L217 N222 S223F57-L220 HydrophobicContact CD2-CD1 4.49Å; F57-L220 HydrophobicContact CE2-CD1 3.91Å; V61-L220 HydrophobicContact CG2-CD1 3.82Å; I64-L220 HydrophobicContact CD1-CB 4.33Å; I64-L220 HydrophobicContact CD1-CD2 4.06Å; A216-L220 PolarHBondContact O-N 3.39Å; L217-L220 PolarHBondContact O-N 3.39Å; L220-N222 PolarHBondContact O-N 3.07Å; L220-S223 WeakPolarHBondContact O-CB 3.24Å; L220-S223 PolarHBondContact O-N 3.48Å
221S68Low70.4Confident64 Ų6479.4 Ų79.445%0.44839%0.388SS..THydrogen-bonded Turntrans-67.3-15.3-179.161.70000114.5L217 N218L217-S221 PolarHBondContact O-N 3Å; N218-S221 PolarHBondContact O-OG 3.22Å
222N68.9Low70.2Confident119 Ų11975.8 Ų75.864%0.63637%0.371SS*.THydrogen-bonded Turntrans-104.120.2-178.9-60.8-14.7000112.5L220L220-N222 PolarHBondContact O-N 3.07Å
223S71.3Confident70Confident10 Ų1076.1 Ų76.17%0.0737%0.373CS..  trans-69125.7-179.9161.50000112.5D51 L220 V225 W226 H227D51-S223 WeakPolarHBondContact OD2-CA 3.37Å; D51-S223 WeakPolarHBondContact OD2-CB 3.41Å; D51-S223 PolarHBondContact OD2-OG 3.34Å; L220-S223 WeakPolarHBondContact O-CB 3.24Å; L220-S223 PolarHBondContact O-N 3.48Å; S223-V225 VanDerWaalsContact C-N 3.32Å; S223-V225 PolarHBondContact O-N 2.99Å; S223-V225 PolarHBondContact OG-N 3.35Å; S223-W226 PolarHBondContact O-N 3.49Å; S223-W226 PolarHBondContact OG-N 2.82Å; S223-H227 PolarHBondContact O-CD2 3.27Å; S223-H227 VanDerWaalsContact O-CD2 3.3Å; S223-H227 PolarHBondContact O-N 2.87Å
224Y71.5Confident69.8Low121 Ų12177.9 Ų77.948%0.47539%0.391SS..Hα-helixtrans-62.5-38.2173.1-68.9-76000112R50 D51 W226 H227 S228R50-Y224 HydrophobicContact CB-CD2 3.44Å; R50-Y224 VanDerWaalsContact CB-CD2 3.44Å; R50-Y224 HydrophobicContact CB-CE2 3.9Å; R50-Y224 HydrophobicContact CB-CG 3.94Å; R50-Y224 HydrophobicContact CG-CD2 4.37Å; D51-Y224 VanDerWaalsContact CG-N 3.33Å; D51-Y224 WeakPolarHBondContact OD1-CD2 3.31Å; D51-Y224 PolarHBondContact OD1-N 3.14Å; D51-Y224 PolarHBondContact OD2-N 3.16Å; Y224-W226 VanDerWaalsContact C-N 3.25Å; Y224-W226 PolarHBondContact O-N 3.09Å; Y224-H227 PolarHBondContact O-N 3.43Å; Y224-S228 PolarHBondContact O-N 2.87Å; Y224-S228 VanDerWaalsContact O-N 3.08Å
225V72.2Confident69.4Low35 Ų3572.6 Ų72.621%0.21237%0.368CS..Hα-helixtrans-58.7-40.5177.7173.10000110.9L44 A47 I48 D51 S223 H227 S228 L229L44-V225 HydrophobicContact CD1-CG1 4.2Å; A47-V225 HydrophobicContact CB-CG2 4.28Å; I48-V225 VanDerWaalsContact CA-CG2 3.44Å; I48-V225 HydrophobicContact CB-CG2 4.19Å; I48-V225 HydrophobicContact CG1-CG2 3.68Å; D51-V225 HydrophobicContact CB-CG2 4.2Å; D51-V225 WeakPolarHBondContact OD2-CB 3.43Å; D51-V225 VanDerWaalsContact OD2-CG2 3.28Å; D51-V225 WeakPolarHBondContact OD2-CG2 3.46Å; D51-V225 PolarHBondContact OD2-N 3.26Å; S223-V225 VanDerWaalsContact C-N 3.32Å; S223-V225 PolarHBondContact O-N 2.99Å; S223-V225 PolarHBondContact OG-N 3.35Å; V225-H227 VanDerWaalsContact C-N 3.35Å; V225-H227 PolarHBondContact O-N 3.5Å; V225-S228 PolarHBondContact O-N 2.81Å; V225-L229 VanDerWaalsContact O-CB 3.31Å; V225-L229 WeakPolarHBondContact O-CB 3.5Å; V225-L229 PolarHBondContact O-N 2.79Å
226W69.2Low69.1Low158 Ų15866.4 Ų66.460%0.59835%0.345SS*.Hα-helixtrans-64.5-39.5-179.5-156.6-114.6000112.2S223 Y224 L230S223-W226 PolarHBondContact O-N 3.49Å; S223-W226 PolarHBondContact OG-N 2.82Å; Y224-W226 VanDerWaalsContact C-N 3.25Å; Y224-W226 PolarHBondContact O-N 3.09Å; W226-L230 WeakPolarHBondContact O-CD1 3.08Å; W226-L230 VanDerWaalsContact O-CG 3.28Å; W226-L230 WeakPolarHBondContact O-CG 3.39Å; W226-L230 PolarHBondContact O-N 3.21Å
227H69.9Low69Low105 Ų10571.6 Ų71.649%0.48637%0.373SS..Hα-helixtrans-64.8-54.2173.6-72.9-71.9000112.3S223 Y224 V225 L229 L230 D231S223-H227 PolarHBondContact O-CD2 3.27Å; S223-H227 VanDerWaalsContact O-CD2 3.3Å; S223-H227 PolarHBondContact O-N 2.87Å; Y224-H227 PolarHBondContact O-N 3.43Å; V225-H227 VanDerWaalsContact C-N 3.35Å; V225-H227 PolarHBondContact O-N 3.5Å; H227-L229 PolarHBondContact O-N 2.73Å; H227-L230 WeakPolarHBondContact O-CB 3.48Å; H227-L230 PolarHBondContact O-N 3.25Å; H227-D231 PolarHBondContact O-N 3.12Å
228S69.4Low68.7Low21 Ų2174.8 Ų74.815%0.14739%0.386CS..Hα-helixtrans-64.7-25-177.2-61.20000114A47 Y224 V225 Y232A47-S228 WeakPolarHBondContact CB-OG 3.42Å; Y224-S228 PolarHBondContact O-N 2.87Å; Y224-S228 VanDerWaalsContact O-N 3.08Å; V225-S228 PolarHBondContact O-N 2.81Å; S228-Y232 PolarHBondContact O-N 2.9Å; S228-Y232 VanDerWaalsContact O-N 3.15Å
229L70.1Confident68.2Low74 Ų7471.4 Ų71.439%0.38737%0.368SS..Hα-helixtrans-76.3-34.9173.4-167.2148.1000112L44 V225 H227 V233L44-L229 HydrophobicContact CD1-CB 4.44Å; V225-L229 VanDerWaalsContact O-CB 3.31Å; V225-L229 WeakPolarHBondContact O-CB 3.5Å; V225-L229 PolarHBondContact O-N 2.79Å; H227-L229 PolarHBondContact O-N 2.73Å; L229-V233 HydrophobicContact CD2-CG2 4.36Å; L229-V233 WeakPolarHBondContact O-CG2 3.39Å; L229-V233 PolarHBondContact O-N 2.85Å; L229-V233 VanDerWaalsContact O-N 3.12Å
230L69.8Low67.7Low92 Ų9272.9 Ų72.948%0.48238%0.38SS..Hα-helixtrans-65.1-42.7170.9-71.7165.8000111.4W226 H227 Y232 V233 A234W226-L230 WeakPolarHBondContact O-CD1 3.08Å; W226-L230 VanDerWaalsContact O-CG 3.28Å; W226-L230 WeakPolarHBondContact O-CG 3.39Å; W226-L230 PolarHBondContact O-N 3.21Å; H227-L230 WeakPolarHBondContact O-CB 3.48Å; H227-L230 PolarHBondContact O-N 3.25Å; L230-Y232 PolarHBondContact O-N 3.23Å; L230-V233 PolarHBondContact O-N 2.92Å; L230-A234 WeakPolarHBondContact O-CB 3.27Å; L230-A234 PolarHBondContact O-N 3.16Å
231D68.3Low67.2Low96 Ų9674.1 Ų74.151%0.51339%0.394SS..Hα-helixtrans-62-41.5177.2-61.3-31.6000111.7H227 A234 A235H227-D231 PolarHBondContact O-N 3.12Å; D231-A234 PolarHBondContact O-N 3.37Å; D231-A235 WeakPolarHBondContact O-CB 3.4Å; D231-A235 PolarHBondContact O-N 3.27Å
232Y69.5Low66.6Low49 Ų4977.5 Ų77.519%0.19240%0.402CS..Hα-helixtrans-60.4-46.7173.5175.8-89.1000112.4S228 L230 A234 A235 Y236 F255 L256S228-Y232 PolarHBondContact O-N 2.9Å; S228-Y232 VanDerWaalsContact O-N 3.15Å; L230-Y232 PolarHBondContact O-N 3.23Å; Y232-A234 VanDerWaalsContact C-N 3.33Å; Y232-A234 PolarHBondContact O-N 3.34Å; Y232-A235 PolarHBondContact O-N 2.96Å; Y232-Y236 WeakPolarHBondContact O-CB 3.29Å; Y232-Y236 PolarHBondContact O-N 3.31Å; Y232-F255 HydrophobicContact CD2-CD1 4.09Å; Y232-L256 HydrophobicContact CD2-CD1 4.05Å; Y232-L256 HydrophobicContact CE2-CB 4.18Å; Y232-L256 HydrophobicContact CE2-CD1 4.08Å
233V67.3Low66Low68 Ų6878.2 Ų78.241%0.41240%0.397SS..Hα-helixtrans-66.5-35.8179.4171.50000111.4L229 L230 N237L229-V233 HydrophobicContact CD2-CG2 4.36Å; L229-V233 WeakPolarHBondContact O-CG2 3.39Å; L229-V233 PolarHBondContact O-N 2.85Å; L229-V233 VanDerWaalsContact O-N 3.12Å; L230-V233 PolarHBondContact O-N 2.92Å; V233-N237 VanDerWaalsContact O-CG 3.24Å; V233-N237 PolarHBondContact O-N 3.2Å; V233-N237 PolarHBondContact O-ND2 3.49Å; V233-N237 VanDerWaalsContact O-ND2 3.09Å
234A68.1Low65.3Low59 Ų5983.7 Ų83.749%0.48843%0.426SS..Hα-helixtrans-63.5-51.9173.900000111.7L230 D231 Y232 Y236 N237L230-A234 WeakPolarHBondContact O-CB 3.27Å; L230-A234 PolarHBondContact O-N 3.16Å; D231-A234 PolarHBondContact O-N 3.37Å; Y232-A234 VanDerWaalsContact C-N 3.33Å; Y232-A234 PolarHBondContact O-N 3.34Å; A234-Y236 PolarHBondContact O-N 3.13Å; A234-N237 PolarHBondContact O-N 2.87Å
235A63.9Low64.7Low13 Ų1381.7 Ų81.711%0.10743%0.429CS..Hα-helixtrans-65.1-35.7-178.800000113.3D231 Y232 E238 M239 F255D231-A235 WeakPolarHBondContact O-CB 3.4Å; D231-A235 PolarHBondContact O-N 3.27Å; Y232-A235 PolarHBondContact O-N 2.96Å; A235-E238 PolarHBondContact O-N 3.43Å; A235-M239 WeakPolarHBondContact O-CG 3.37Å; A235-M239 PolarHBondContact O-N 3.05Å; A235-M239 VanDerWaalsContact O-N 3.17Å; A235-F255 HydrophobicContact CB-CD1 4.16Å; A235-F255 HydrophobicContact CB-CD2 4.49Å; A235-F255 HydrophobicContact CB-CE1 3.53Å; A235-F255 HydrophobicContact CB-CE2 3.9Å; A235-F255 HydrophobicContact CB-CZ 3.38Å
236Y63.9Low63.9Low56 Ų5681.5 Ų81.522%0.2243%0.431CS..Hα-helixtrans-64.7-39.7176.8-175.9-91.7000112.3Y232 A234 E238 M239 S240 N444Y232-Y236 WeakPolarHBondContact O-CB 3.29Å; Y232-Y236 PolarHBondContact O-N 3.31Å; A234-Y236 PolarHBondContact O-N 3.13Å; Y236-E238 PolarHBondContact O-N 3.47Å; Y236-M239 PolarHBondContact O-N 2.85Å; Y236-M239 VanDerWaalsContact O-N 3.07Å; Y236-S240 PolarHBondContact O-N 3.3Å; Y236-N444 VanDerWaalsContact CE1-ND2 3.27Å; Y236-N444 WeakPolarHBondContact CE1-ND2 3.27Å; Y236-N444 WeakPolarHBondContact CE1-OD1 3.37Å; Y236-N444 PolarHBondContact OH-OD1 2.83Å
237N65.7Low63.6Low113 Ų11375 Ų7560%0.60441%0.408SS*.Hα-helixtrans-66.1-15.8178.1-71.3-25.5000113.7V233 A234V233-N237 VanDerWaalsContact O-CG 3.24Å; V233-N237 PolarHBondContact O-N 3.2Å; V233-N237 PolarHBondContact O-ND2 3.49Å; V233-N237 VanDerWaalsContact O-ND2 3.09Å; A234-N237 PolarHBondContact O-N 2.87Å
238E65.1Low63.3Low128 Ų12872.3 Ų72.360%0.59840%0.396SS*.Hα-helixtrans-86.6-40.9167.6-61.2-175.2159.400112A235 Y236 S240 S241 R261A235-E238 PolarHBondContact O-N 3.43Å; Y236-E238 PolarHBondContact O-N 3.47Å; E238-S240 PolarHBondContact O-N 2.87Å; E238-S241 PolarHBondContact O-OG 3.37Å; E238-R261 IonicContact OE2-NH2 2.97Å
239M60.8Low62.9Low16 Ų1671.8 Ų71.88%0.07939%0.392CS..Hα-helixtrans-65.7-35.2-172.1-78.8174.554.100114.2A235 Y236 S241 D251A235-M239 WeakPolarHBondContact O-CG 3.37Å; A235-M239 PolarHBondContact O-N 3.05Å; A235-M239 VanDerWaalsContact O-N 3.17Å; Y236-M239 PolarHBondContact O-N 2.85Å; Y236-M239 VanDerWaalsContact O-N 3.07Å; M239-S241 PolarHBondContact O-N 3.31Å; M239-D251 HydrophobicContact CE-CB 3.68Å
240S59.4Low62.9Low65 Ų6570 Ų7046%0.45538%0.381SS..THydrogen-bonded Turntrans-67.315.3-17559.80000115.7Y236 E238Y236-S240 PolarHBondContact O-N 3.3Å; E238-S240 PolarHBondContact O-N 2.87Å
241S58.6Low62.8Low95 Ų9566.4 Ų66.466%0.66436%0.362SS*.THydrogen-bonded Turntrans-117.9-5-172.3680000114.9E238 M239E238-S241 PolarHBondContact O-OG 3.37Å; M239-S241 PolarHBondContact O-N 3.31Å
242Q56.2Low62.7Low134 Ų13462.5 Ų62.563%0.62634%0.342SS*.SBendtrans-144.1-10.4-155.9-148170.729.200119.1
243Y54.7Low62.7Low135 Ų13561.4 Ų61.453%0.52934%0.341SS..SBendtrans-134.8169.3-171.6-79.6-86.3000115.5
244D56.7Low62.9Low124 Ų12458.4 Ų58.466%0.66332%0.323SS*.  trans-71.9146.5168.4-112.8-15.2000109.5A246 M247 E248D244-A246 PolarHBondContact O-N 2.55Å; D244-M247 WeakPolarHBondContact O-CA 3.44Å; D244-E248 PolarHBondContact O-N 3.44Å
245S58.9Low63.1Low79 Ų7957.8 Ų57.855%0.55231%0.309SS*.Hα-helixtrans-64-3.7-172.661.30000116.3
246A56.3Low63.4Low31 Ų3160.3 Ų60.326%0.25632%0.321SS..Hα-helixtrans-81-75.8-169.500000115.3D244 S249 F250 F324D244-A246 PolarHBondContact O-N 2.55Å; A246-S249 PolarHBondContact O-N 3.08Å; A246-S249 PolarHBondContact O-OG 3.39Å; A246-F250 WeakPolarHBondContact O-CD2 3.34Å; A246-F250 PolarHBondContact O-N 3.46Å; A246-F324 HydrophobicContact CB-CD1 4.31Å
247M62.2Low63.7Low21 Ų2159.3 Ų59.310%0.10332%0.319CS..Hα-helix69.7-124.269.4-60.7160.5-58.400107.1D244 S249 F250 D251 F265 D266 L269D244-M247 WeakPolarHBondContact O-CA 3.44Å; M247-S249 PolarHBondContact O-N 3.43Å; M247-F250 PolarHBondContact O-N 3.23Å; M247-D251 PolarHBondContact O-N 2.9Å; M247-D251 VanDerWaalsContact O-N 3.12Å; M247-F265 HydrophobicContact CE-CD1 3.8Å; M247-F265 HydrophobicContact SD-CB 4.25Å; M247-F265 HydrophobicContact SD-CD1 4.09Å; M247-D266 WeakPolarHBondContact CE-OD1 3.21Å; M247-L269 HydrophobicContact CE-CD1 4.05Å
248E63.3Low63.9Low50 Ų5054.2 Ų54.223%0.23429%0.292CS..Hα-helixtrans-47.3-33.8176.9-65.4175.5145.600114.3D244 S252D244-E248 PolarHBondContact O-N 3.44Å; E248-S252 WeakPolarHBondContact O-CB 3.37Å; E248-S252 PolarHBondContact O-N 3.04Å; E248-S252 PolarHBondContact O-OG 3.5Å
249S62.6Low64Low9 Ų949.3 Ų49.36%0.06328%0.276CS..Hα-helixtrans-74.7-31.3-179.987.10000115.1A246 M247 S252 V253 F324 H447A246-S249 PolarHBondContact O-N 3.08Å; A246-S249 PolarHBondContact O-OG 3.39Å; M247-S249 PolarHBondContact O-N 3.43Å; S249-S252 WeakPolarHBondContact CA-OG 3.36Å; S249-S252 PolarHBondContact O-OG 3.01Å; S249-V253 WeakPolarHBondContact O-CG2 3.19Å; S249-V253 PolarHBondContact O-N 3.36Å; S249-F324 WeakPolarHBondContact OG-CE1 3.39Å; S249-H447 WeakPolarHBondContact CB-ND1 3.33Å; S249-H447 PolarHBondContact OG-ND1 2.64Å; S249-H447 VanDerWaalsContact OG-ND1 3.08Å
250F68.9Low64.4Low37 Ų3754.8 Ų54.816%0.16230%0.301CS..Hα-helixtrans-77.4-37.1171.9-86.1-80.1000110.9F14 L17 A246 M247 S254 L262 F324 F326F14-F250 HydrophobicContact CE1-CE1 4.43Å; L17-F250 HydrophobicContact CD1-CD1 4.41Å; A246-F250 WeakPolarHBondContact O-CD2 3.34Å; A246-F250 PolarHBondContact O-N 3.46Å; M247-F250 PolarHBondContact O-N 3.23Å; F250-S254 WeakPolarHBondContact O-CB 3.05Å; F250-S254 PolarHBondContact O-N 2.89Å; F250-L262 HydrophobicContact CB-CD1 3.82Å; F250-L262 WeakPolarHBondContact O-CD1 3.29Å; F250-F324 HydrophobicContact CD2-CD1 4.33Å; F250-F324 HydrophobicContact CD2-CE1 4.25Å; F250-F324 AromaticContact CE2-CD1 3.78Å; F250-F324 HydrophobicContact CE2-CD1 3.78Å; F250-F324 AromaticContact CE2-CE1 3.76Å; F250-F324 HydrophobicContact CE2-CE1 3.76Å; F250-F324 HydrophobicContact CE2-CG 4.22Å; F250-F324 HydrophobicContact CE2-CZ 4.17Å; F250-F326 HydrophobicContact CE2-CE2 4.15Å; F250-F326 AromaticContact CE2-CZ 3.63Å; F250-F326 HydrophobicContact CE2-CZ 3.63Å; F250-F326 HydrophobicContact CZ-CE2 4.21Å; F250-F326 AromaticContact CZ-CZ 3.87Å; F250-F326 HydrophobicContact CZ-CZ 3.87Å
251D67.8Low64.8Low16 Ų1656.3 Ų56.39%0.08630%0.297CS..Hα-helixtrans-65.2-41.1175.3-96.1-40.8000112.8M239 M247 S254 F255 R261 L262M239-D251 HydrophobicContact CE-CB 3.68Å; M247-D251 PolarHBondContact O-N 2.9Å; M247-D251 VanDerWaalsContact O-N 3.12Å; D251-S254 CarbonylContact O-C 3.57Å; D251-S254 WeakPolarHBondContact O-CB 3.48Å; D251-S254 PolarHBondContact O-N 3.17Å; D251-F255 WeakPolarHBondContact O-CB 3.29Å; D251-F255 PolarHBondContact O-N 2.91Å; D251-R261 WeakPolarHBondContact OD1-CA 3.41Å; D251-R261 WeakPolarHBondContact OD1-CB 3.43Å; D251-L262 PolarHBondContact OD1-N 3.02Å
252S66.5Low65.4Low14 Ų1452.5 Ų52.510%0.09827%0.269CS..Hα-helixtrans-67.9-38.2177.646.90000112.6E248 S249 F255 L256E248-S252 WeakPolarHBondContact O-CB 3.37Å; E248-S252 PolarHBondContact O-N 3.04Å; E248-S252 PolarHBondContact O-OG 3.5Å; S249-S252 WeakPolarHBondContact CA-OG 3.36Å; S249-S252 PolarHBondContact O-OG 3.01Å; S252-F255 PolarHBondContact O-N 2.91Å; S252-L256 WeakPolarHBondContact O-CB 3.28Å; S252-L256 PolarHBondContact O-N 3.17Å
253V69.5Low65.9Low27 Ų2753 Ų5316%0.16428%0.275CS..Hα-helixtrans-65-40.7171170.30000111.2F14 S249 L256 L257F14-V253 HydrophobicContact CD1-CG1 4.09Å; F14-V253 HydrophobicContact CE1-CG1 4.17Å; F14-V253 HydrophobicContact CG-CG1 4.44Å; S249-V253 WeakPolarHBondContact O-CG2 3.19Å; S249-V253 PolarHBondContact O-N 3.36Å; V253-L256 PolarHBondContact O-N 3.17Å; V253-L257 HydrophobicContact CG1-CD1 3.85Å; V253-L257 WeakPolarHBondContact O-CB 3.46Å; V253-L257 WeakPolarHBondContact O-CG 3.43Å; V253-L257 PolarHBondContact O-N 3.39Å
254S72.4Confident66.4Low5 Ų548.7 Ų48.74%0.03527%0.272CS..Hα-helixtrans-63.6-41.6173.2-1770000111.9F250 D251 L256 L257 C258 Q260F250-S254 WeakPolarHBondContact O-CB 3.05Å; F250-S254 PolarHBondContact O-N 2.89Å; D251-S254 CarbonylContact O-C 3.57Å; D251-S254 WeakPolarHBondContact O-CB 3.48Å; D251-S254 PolarHBondContact O-N 3.17Å; S254-L256 VanDerWaalsContact C-N 3.35Å; S254-L256 PolarHBondContact O-N 2.79Å; S254-L257 PolarHBondContact O-N 3.2Å; S254-C258 WeakPolarHBondContact O-CA 3.41Å; S254-C258 WeakPolarHBondContact O-CB 3.49Å; S254-C258 PolarHBondContact O-N 3.32Å; S254-C258 PolarHBondContact O-SG 3.2Å; S254-C258 VanDerWaalsContact O-SG 3.39Å; S254-Q260 CarbonylContact C-O 3.58Å; S254-Q260 VanDerWaalsContact C-O 3.32Å; S254-Q260 WeakPolarHBondContact CB-O 3.43Å; S254-Q260 PolarHBondContact OG-O 2.9Å
255F71.3Confident67.1Low45 Ų4543.1 Ų43.120%0.19724%0.242CC..Hα-helixtrans-65.3-40.6178.3-161.4-88.9000111.3Y232 A235 D251 S252 L257 G259 Q260Y232-F255 HydrophobicContact CD2-CD1 4.09Å; A235-F255 HydrophobicContact CB-CD1 4.16Å; A235-F255 HydrophobicContact CB-CD2 4.49Å; A235-F255 HydrophobicContact CB-CE1 3.53Å; A235-F255 HydrophobicContact CB-CE2 3.9Å; A235-F255 HydrophobicContact CB-CZ 3.38Å; D251-F255 WeakPolarHBondContact O-CB 3.29Å; D251-F255 PolarHBondContact O-N 2.91Å; S252-F255 PolarHBondContact O-N 2.91Å; F255-L257 PolarHBondContact O-N 3.26Å; F255-G259 WeakPolarHBondContact CE2-O 3.17Å; F255-G259 VanDerWaalsContact O-CA 3.23Å; F255-G259 WeakPolarHBondContact O-CA 3.35Å; F255-G259 PolarHBondContact O-N 2.89Å; F255-Q260 PolarHBondContact N-O 2.71Å
256L69.5Low67.6Low66 Ų6643.9 Ų43.935%0.34624%0.24SC..Hα-helixtrans-62.5-40175.3-172.767.1000113L44 Y232 S252 V253 S254L44-L256 HydrophobicContact CB-CD1 4.36Å; L44-L256 HydrophobicContact CD2-CD1 3.7Å; Y232-L256 HydrophobicContact CD2-CD1 4.05Å; Y232-L256 HydrophobicContact CE2-CB 4.18Å; Y232-L256 HydrophobicContact CE2-CD1 4.08Å; S252-L256 WeakPolarHBondContact O-CB 3.28Å; S252-L256 PolarHBondContact O-N 3.17Å; V253-L256 PolarHBondContact O-N 3.17Å; S254-L256 VanDerWaalsContact C-N 3.35Å; S254-L256 PolarHBondContact O-N 2.79Å
257L71.6Confident68.2Low36 Ų3647.7 Ų47.719%0.18825%0.253CS..Hα-helixtrans-91-26.3-175.9-67176.8000114.3Q11 F14 N43 V253 S254 F255Q11-L257 WeakPolarHBondContact CG-O 3.26Å; Q11-L257 PolarHBondContact NE2-O 3.19Å; F14-L257 HydrophobicContact CB-CD1 3.83Å; F14-L257 HydrophobicContact CD2-CD1 3.5Å; F14-L257 HydrophobicContact CE2-CD1 4.29Å; F14-L257 HydrophobicContact CG-CD1 3.75Å; N43-L257 PolarHBondContact ND2-O 2.99Å; V253-L257 HydrophobicContact CG1-CD1 3.85Å; V253-L257 WeakPolarHBondContact O-CB 3.46Å; V253-L257 WeakPolarHBondContact O-CG 3.43Å; V253-L257 PolarHBondContact O-N 3.39Å; S254-L257 PolarHBondContact O-N 3.2Å; F255-L257 PolarHBondContact O-N 3.26Å
258C70.3Confident68.5Low5 Ų547.9 Ų47.93%0.03426%0.255CS..Hα-helixtrans-124.5-18.3-170-45.40000113.3C15 F41 S254 Q260C15-C258 WeakPolarHBondContact CA-SG 3.32Å; C15-C258 HydrophobicContact CB-CB 4.01Å; C15-C258 WeakPolarHBondContact CB-SG 3.25Å; C15-C258 WeakPolarHBondContact SG-CB 3.4Å; C15-C258 CovalentContact SG-SG 2.03Å; C15-C258 PolarHBondContact SG-SG 3.15Å; F41-C258 HydrophobicContact CD1-CB 4.22Å; F41-C258 WeakPolarHBondContact CD1-O 3.32Å; F41-C258 HydrophobicContact CE1-CB 4.36Å; S254-C258 WeakPolarHBondContact O-CA 3.41Å; S254-C258 WeakPolarHBondContact O-CB 3.49Å; S254-C258 PolarHBondContact O-N 3.32Å; S254-C258 PolarHBondContact O-SG 3.2Å; S254-C258 VanDerWaalsContact O-SG 3.39Å; C258-Q260 PolarHBondContact O-N 3.38Å
259G66.5Low68.9Low25 Ų2546.9 Ų46.926%0.25825%0.251SS..SBendtrans70.815.6-169.300000114F255F255-G259 WeakPolarHBondContact CE2-O 3.17Å; F255-G259 VanDerWaalsContact O-CA 3.23Å; F255-G259 WeakPolarHBondContact O-CA 3.35Å; F255-G259 PolarHBondContact O-N 2.89Å
260Q68.1Low69.2Low131 Ų13151.6 Ų51.661%0.61227%0.272SS*.SBendtrans-146.9157.8-172.7-64.1-173.1-12.600112.2S254 F255 C258S254-Q260 CarbonylContact C-O 3.58Å; S254-Q260 VanDerWaalsContact C-O 3.32Å; S254-Q260 WeakPolarHBondContact CB-O 3.43Å; S254-Q260 PolarHBondContact OG-O 2.9Å; F255-Q260 PolarHBondContact N-O 2.71Å; C258-Q260 PolarHBondContact O-N 3.38Å
261R68.7Low69.1Low98 Ų9855 Ų5537%0.3729%0.287SS..  trans-88.3154.1178.5-59.4-174.7-171.4172.65.5112.5E238 D251 L263E238-R261 IonicContact OE2-NH2 2.97Å; D251-R261 WeakPolarHBondContact OD1-CA 3.41Å; D251-R261 WeakPolarHBondContact OD1-CB 3.43Å; R261-L263 VanDerWaalsContact C-N 3.29Å; R261-L263 PolarHBondContact O-N 3.45Å
262L70.6Confident69Low14 Ų1454.7 Ų54.77%0.07328%0.284CS..  trans-81.358.5-176.1-73.1169.4000113.7L17 F250 D251 G264 F265L17-L262 HydrophobicContact CB-CD2 4.09Å; L17-L262 HydrophobicContact CD1-CD1 4.42Å; F250-L262 HydrophobicContact CB-CD1 3.82Å; F250-L262 WeakPolarHBondContact O-CD1 3.29Å; D251-L262 PolarHBondContact OD1-N 3.02Å; L262-G264 PolarHBondContact O-N 3.38Å; L262-G264 VanDerWaalsContact O-N 3.13Å; L262-F265 HydrophobicContact CB-CB 4.33Å; L262-F265 PolarHBondContact O-N 3.24Å
263L66.3Low69Low145 Ų14556.1 Ų56.176%0.75929%0.293SS*.THydrogen-bonded Turntrans-53.5118.9179-65.6172.2000112.2R261R261-L263 VanDerWaalsContact C-N 3.29Å; R261-L263 PolarHBondContact O-N 3.45Å
264G66Low68.8Low45 Ų4562.5 Ų62.546%0.46431%0.314SS..THydrogen-bonded Turntrans96.5-1.4173.600000116.6L262 D266 E267L262-G264 PolarHBondContact O-N 3.38Å; L262-G264 VanDerWaalsContact O-N 3.13Å; G264-D266 VanDerWaalsContact C-N 3.33Å; G264-D266 PolarHBondContact O-N 2.99Å; G264-E267 PolarHBondContact O-N 3.37Å
265F72.4Confident68.3Low7 Ų764.8 Ų64.83%0.03133%0.333CS..Hα-helixtrans-64-32.9-178-167.1-116000113.6L17 M247 L262 E267 V268 L269 F533L17-F265 HydrophobicContact CB-CD2 4.25Å; L17-F265 HydrophobicContact CB-CE2 4.02Å; M247-F265 HydrophobicContact CE-CD1 3.8Å; M247-F265 HydrophobicContact SD-CB 4.25Å; M247-F265 HydrophobicContact SD-CD1 4.09Å; L262-F265 HydrophobicContact CB-CB 4.33Å; L262-F265 PolarHBondContact O-N 3.24Å; F265-E267 PolarHBondContact O-N 2.82Å; F265-V268 WeakPolarHBondContact O-CB 3.33Å; F265-V268 PolarHBondContact O-N 3.48Å; F265-L269 HydrophobicContact CD1-CD1 3.93Å; F265-L269 HydrophobicContact CD1-CG 4.48Å; F265-L269 HydrophobicContact CE1-CD1 3.8Å; F265-L269 HydrophobicContact CE1-CG 4.31Å; F265-L269 PolarHBondContact O-N 3Å; F265-F533 AromaticContact CE2-CE2 3.9Å; F265-F533 HydrophobicContact CE2-CE2 3.9Å; F265-F533 HydrophobicContact CE2-CZ 4.16Å; F265-F533 HydrophobicContact CZ-CE2 4.38Å; F265-F533 HydrophobicContact CZ-CZ 4.49Å
266D69.2Low67.9Low95 Ų9565 Ų6551%0.50833%0.334SS..Hα-helixtrans-55.9-46.4172.4-72.2-60.4000113.2M247 G264 V268 L269 E270M247-D266 WeakPolarHBondContact CE-OD1 3.21Å; G264-D266 VanDerWaalsContact C-N 3.33Å; G264-D266 PolarHBondContact O-N 2.99Å; D266-V268 PolarHBondContact O-N 3.26Å; D266-L269 PolarHBondContact O-N 2.91Å; D266-E270 PolarHBondContact O-N 3.37Å
267E69.2Low67.6Low111 Ų11170 Ų7052%0.51935%0.349SS..Hα-helixtrans-66.9-29.2-175.1-148.7-152.3171.600111G264 F265 K271G264-E267 PolarHBondContact O-N 3.37Å; F265-E267 PolarHBondContact O-N 2.82Å; E267-K271 HydrophobicContact CG-CD 4.49Å; E267-K271 VanDerWaalsContact O-CB 3.28Å; E267-K271 WeakPolarHBondContact O-CB 3.31Å; E267-K271 VanDerWaalsContact O-CD 3.25Å; E267-K271 WeakPolarHBondContact O-CD 3.02Å; E267-K271 WeakPolarHBondContact O-CG 3.42Å; E267-K271 PolarHBondContact O-N 3.41Å; E267-K271 VanDerWaalsContact O-N 3.09Å; E267-K271 WeakPolarHBondContact OE1-CE 3.37Å; E267-K271 IonicContact OE1-NZ 3.41Å; E267-K271 PolarHBondContact OE1-NZ 2.6Å; E267-K271 IonicContact OE2-NZ 2.62Å; E267-K271 PolarHBondContact OE2-NZ 3.49Å
268V68.5Low66.8Low25 Ų2573.3 Ų73.315%0.15237%0.366CS..Hα-helixtrans-66.2-46.6171.2173.50000110.7F265 D266 R272 P532 F533F265-V268 WeakPolarHBondContact O-CB 3.33Å; F265-V268 PolarHBondContact O-N 3.48Å; D266-V268 PolarHBondContact O-N 3.26Å; V268-R272 WeakPolarHBondContact O-CB 3.25Å; V268-R272 PolarHBondContact O-N 3.24Å; V268-P532 HydrophobicContact CG1-CG 3.75Å; V268-P532 HydrophobicContact CG2-CG 4.1Å; V268-F533 HydrophobicContact CG1-CD2 4.44Å
269L70Confident66.1Low29 Ų2978.9 Ų78.915%0.15239%0.386CS..Hα-helixtrans-67.1-41179.3-68.3173.3000112.3M247 F265 D266 R272 T273 F326 L330M247-L269 HydrophobicContact CE-CD1 4.05Å; F265-L269 HydrophobicContact CD1-CD1 3.93Å; F265-L269 HydrophobicContact CD1-CG 4.48Å; F265-L269 HydrophobicContact CE1-CD1 3.8Å; F265-L269 HydrophobicContact CE1-CG 4.31Å; F265-L269 PolarHBondContact O-N 3Å; D266-L269 PolarHBondContact O-N 2.91Å; L269-R272 PolarHBondContact O-N 3.07Å; L269-T273 WeakPolarHBondContact O-CG2 3.29Å; L269-T273 PolarHBondContact O-N 3.36Å; L269-T273 PolarHBondContact O-OG1 2.97Å; L269-T273 VanDerWaalsContact O-OG1 3.06Å; L269-F326 HydrophobicContact CD1-CE1 4.23Å; L269-F326 HydrophobicContact CD2-CD1 3.92Å; L269-F326 HydrophobicContact CD2-CE1 4.06Å; L269-L330 HydrophobicContact CD2-CD2 3.98Å
270E70.1Confident65.8Low108 Ų10883.6 Ų83.651%0.50540%0.401SS..Hα-helixtrans-65.1-48.6176.6-160.6-138.9133.300111.2D266 R272 T273 R274D266-E270 PolarHBondContact O-N 3.37Å; E270-R272 PolarHBondContact O-N 3.19Å; E270-T273 PolarHBondContact O-N 2.86Å; E270-T273 PolarHBondContact O-OG1 3.36Å; E270-R274 VanDerWaalsContact O-CB 3.26Å; E270-R274 WeakPolarHBondContact O-CB 3.32Å; E270-R274 PolarHBondContact O-N 2.94Å; E270-R274 IonicContact OE1-NH1 2.79Å
271K65.7Low65Low108 Ų10883.2 Ų83.247%0.4740%0.403SS..Hα-helixtrans-56.5-37.3175.4-74.9167.1-174.4165.70111.8E267 A275E267-K271 HydrophobicContact CG-CD 4.49Å; E267-K271 VanDerWaalsContact O-CB 3.28Å; E267-K271 WeakPolarHBondContact O-CB 3.31Å; E267-K271 VanDerWaalsContact O-CD 3.25Å; E267-K271 WeakPolarHBondContact O-CD 3.02Å; E267-K271 WeakPolarHBondContact O-CG 3.42Å; E267-K271 PolarHBondContact O-N 3.41Å; E267-K271 VanDerWaalsContact O-N 3.09Å; E267-K271 WeakPolarHBondContact OE1-CE 3.37Å; E267-K271 IonicContact OE1-NZ 3.41Å; E267-K271 PolarHBondContact OE1-NZ 2.6Å; E267-K271 IonicContact OE2-NZ 2.62Å; E267-K271 PolarHBondContact OE2-NZ 3.49Å; K271-A275 WeakPolarHBondContact O-CB 3.33Å; K271-A275 PolarHBondContact O-N 2.63Å; K271-A275 VanDerWaalsContact O-N 3.17Å
272R66.3Low64Low10 Ų1085 Ų854%0.03842%0.42CS..Hα-helixtrans-74.2-49.2178.9-173.4169177.3170.7-2.7112.9V268 L269 E270 R274 A275 E276 P327 I534V268-R272 WeakPolarHBondContact O-CB 3.25Å; V268-R272 PolarHBondContact O-N 3.24Å; L269-R272 PolarHBondContact O-N 3.07Å; E270-R272 PolarHBondContact O-N 3.19Å; R272-R274 VanDerWaalsContact C-N 3.26Å; R272-R274 PolarHBondContact O-N 3.19Å; R272-A275 PolarHBondContact O-N 3.08Å; R272-A275 VanDerWaalsContact O-N 3.12Å; R272-E276 IonicContact CZ-OE1 3.8Å; R272-E276 VanDerWaalsContact CZ-OE1 3.28Å; R272-E276 IonicContact NE-OE1 3.44Å; R272-E276 PolarHBondContact NE-OE1 3.47Å; R272-E276 IonicContact NH2-OE1 2.82Å; R272-E276 PolarHBondContact NH2-OE1 3.25Å; R272-E276 PolarHBondContact O-N 3.02Å; R272-P327 HydrophobicContact CG-CG 4.27Å; R272-I534 HydrophobicContact CB-CD1 4.3Å; R272-I534 HydrophobicContact CG-CD1 4.23Å
273T67.3Low63Low44 Ų4487.5 Ų87.527%0.2743%0.432SS..Hα-helixtrans-59-38.6176.750.80000111.7L269 E270 E276 R277 P327L269-T273 WeakPolarHBondContact O-CG2 3.29Å; L269-T273 PolarHBondContact O-N 3.36Å; L269-T273 PolarHBondContact O-OG1 2.97Å; L269-T273 VanDerWaalsContact O-OG1 3.06Å; E270-T273 PolarHBondContact O-N 2.86Å; E270-T273 PolarHBondContact O-OG1 3.36Å; T273-E276 PolarHBondContact O-N 3.18Å; T273-R277 WeakPolarHBondContact O-CB 3.27Å; T273-R277 WeakPolarHBondContact O-CG 3.45Å; T273-R277 PolarHBondContact O-N 2.64Å; T273-P327 HydrophobicContact CG2-CG 3.81Å
274R65.6Low62Low161 Ų16188.5 Ų88.561%0.60843%0.426SS*.Hα-helixtrans-64.8-39.1174.7-170.2171.5-177.1159.2-1.2113E270 R272 L278E270-R274 VanDerWaalsContact O-CB 3.26Å; E270-R274 WeakPolarHBondContact O-CB 3.32Å; E270-R274 PolarHBondContact O-N 2.94Å; E270-R274 IonicContact OE1-NH1 2.79Å; R272-R274 VanDerWaalsContact C-N 3.26Å; R272-R274 PolarHBondContact O-N 3.19Å; R274-L278 WeakPolarHBondContact O-CB 3.46Å; R274-L278 PolarHBondContact O-N 3.47Å; R274-L278 VanDerWaalsContact O-N 3.12Å
275A61.6Low61.1Low53 Ų5391.5 Ų91.544%0.43844%0.439SS..Hα-helixtrans-69.7-40.2176.100000112.7K271 R272 L278 R279K271-A275 WeakPolarHBondContact O-CB 3.33Å; K271-A275 PolarHBondContact O-N 2.63Å; K271-A275 VanDerWaalsContact O-N 3.17Å; R272-A275 PolarHBondContact O-N 3.08Å; R272-A275 VanDerWaalsContact O-N 3.12Å; A275-L278 PolarHBondContact O-N 3.47Å; A275-R279 PolarHBondContact O-N 2.98Å; A275-R279 VanDerWaalsContact O-N 3.15Å
276E62.9Low59.6Low49 Ų4993.7 Ų93.723%0.22946%0.464CS..Hα-helixtrans-68.9-41.9177.8-67.8-173.6-165.800111.1R272 T273 L278 R279 E280 P327R272-E276 IonicContact CZ-OE1 3.8Å; R272-E276 VanDerWaalsContact CZ-OE1 3.28Å; R272-E276 IonicContact NE-OE1 3.44Å; R272-E276 PolarHBondContact NE-OE1 3.47Å; R272-E276 IonicContact NH2-OE1 2.82Å; R272-E276 PolarHBondContact NH2-OE1 3.25Å; R272-E276 PolarHBondContact O-N 3.02Å; T273-E276 PolarHBondContact O-N 3.18Å; E276-L278 PolarHBondContact O-N 3.42Å; E276-R279 WeakPolarHBondContact O-CB 3.46Å; E276-R279 PolarHBondContact O-N 3Å; E276-R279 VanDerWaalsContact O-N 3.08Å; E276-E280 PolarHBondContact O-N 3.02Å; E276-P327 WeakPolarHBondContact OE2-CB 3.41Å
277R62.6Low58Low171 Ų17194.4 Ų94.465%0.64548%0.477SS*.Hα-helixtrans-58.9-41171.1-75.2177.1-179.6169.42.6113.5T273 R279 E280 L281T273-R277 WeakPolarHBondContact O-CB 3.27Å; T273-R277 WeakPolarHBondContact O-CG 3.45Å; T273-R277 PolarHBondContact O-N 2.64Å; R277-R279 VanDerWaalsContact C-N 3.26Å; R277-R279 PolarHBondContact O-N 3.49Å; R277-E280 PolarHBondContact O-N 3.22Å; R277-L281 WeakPolarHBondContact O-CG 3.28Å; R277-L281 PolarHBondContact O-N 3.08Å
278L55.7Low56.8Low105 Ų10598.7 Ų98.755%0.5549%0.494SS..Hα-helixtrans-62.3-35.2175.4-100.6163.2000112R274 A275 E276 L282R274-L278 WeakPolarHBondContact O-CB 3.46Å; R274-L278 PolarHBondContact O-N 3.47Å; R274-L278 VanDerWaalsContact O-N 3.12Å; A275-L278 PolarHBondContact O-N 3.47Å; E276-L278 PolarHBondContact O-N 3.42Å; L278-L282 WeakPolarHBondContact O-CG 3.42Å; L278-L282 PolarHBondContact O-N 2.75Å
279R55.6Low55.8Low122 Ų122102.3 Ų102.346%0.4652%0.516SS..Hα-helixtrans-68.7-42.5174.5-168.8179.2-178.2139.69.1112A275 E276 R277 L281 L282 I283 E1257A275-R279 PolarHBondContact O-N 2.98Å; A275-R279 VanDerWaalsContact O-N 3.15Å; E276-R279 WeakPolarHBondContact O-CB 3.46Å; E276-R279 PolarHBondContact O-N 3Å; E276-R279 VanDerWaalsContact O-N 3.08Å; R277-R279 VanDerWaalsContact C-N 3.26Å; R277-R279 PolarHBondContact O-N 3.49Å; R279-L281 VanDerWaalsContact C-N 3.32Å; R279-L281 PolarHBondContact O-N 3.08Å; R279-L282 PolarHBondContact O-N 3.48Å; R279-I283 HydrophobicContact CG-CD1 3.96Å; R279-I283 WeakPolarHBondContact O-CG1 3.47Å; R279-I283 PolarHBondContact O-N 3.37Å; R279-I283 VanDerWaalsContact O-N 3.08Å; R279-E1257 IonicContact NH2-OE1 2.72Å; R279-E1257 IonicContact NH2-OE2 3.39Å
280E58.6Low54.6Low124 Ų124106.6 Ų106.658%0.57954%0.535SS*.Hα-helixtrans-60.4-40.5175.7-67.9-179.7141.200112.5E276 R277 L282 I283 R284E276-E280 PolarHBondContact O-N 3.02Å; R277-E280 PolarHBondContact O-N 3.22Å; E280-L282 VanDerWaalsContact C-N 3.33Å; E280-L282 PolarHBondContact O-N 3.02Å; E280-I283 PolarHBondContact O-N 3.36Å; E280-R284 WeakPolarHBondContact O-CB 3.31Å; E280-R284 PolarHBondContact O-N 2.9Å
281L52Low53.3Low123 Ų123108 Ų10864%0.64455%0.546SS*.Hα-helixtrans-63-36.1176.7-72.3171.5000112.8R277 R279R277-L281 WeakPolarHBondContact O-CG 3.28Å; R277-L281 PolarHBondContact O-N 3.08Å; R279-L281 VanDerWaalsContact C-N 3.32Å; R279-L281 PolarHBondContact O-N 3.08Å
282L47.2Very low52.3Low137 Ų137110.4 Ų110.472%0.71756%0.557SS**Hα-helixtrans-70.1-37.8174.3-69.1168000112.1L278 R279 E280 R284 S285L278-L282 WeakPolarHBondContact O-CG 3.42Å; L278-L282 PolarHBondContact O-N 2.75Å; R279-L282 PolarHBondContact O-N 3.48Å; E280-L282 VanDerWaalsContact C-N 3.33Å; E280-L282 PolarHBondContact O-N 3.02Å; L282-R284 VanDerWaalsContact C-N 3.34Å; L282-S285 PolarHBondContact O-OG 3.46Å
283I49.9Very low51Low66 Ų66118 Ų11834%0.33859%0.586SS.*Hα-helixtrans-70.3-28.7178.1-68.2166.4000112R279 E280 S285 G286R279-I283 HydrophobicContact CG-CD1 3.96Å; R279-I283 WeakPolarHBondContact O-CG1 3.47Å; R279-I283 PolarHBondContact O-N 3.37Å; R279-I283 VanDerWaalsContact O-N 3.08Å; E280-I283 PolarHBondContact O-N 3.36Å; I283-S285 PolarHBondContact O-N 3.33Å; I283-G286 PolarHBondContact O-N 3.37Å
284R46.1Very low49.6Very low166 Ų166121.5 Ų121.563%0.62660%0.602SS**THydrogen-bonded Turntrans-68.64.7-174.4-106.5-177.9171.5175.2-2.2116.5E280 L282 G286 E290E280-R284 WeakPolarHBondContact O-CB 3.31Å; E280-R284 PolarHBondContact O-N 2.9Å; L282-R284 VanDerWaalsContact C-N 3.34Å; R284-G286 PolarHBondContact O-N 3.03Å; R284-E290 IonicContact CZ-OE1 3.62Å; R284-E290 IonicContact NE-OE1 2.69Å; R284-E290 PolarHBondContact NE-OE1 3.47Å; R284-E290 IonicContact NH2-OE1 2.77Å; R284-E290 PolarHBondContact NH2-OE1 3.12Å; R284-E290 IonicContact NH2-OE2 3.62Å
285S46.2Very low48.4Very low107 Ų107123.3 Ų123.375%0.74861%0.609SS**THydrogen-bonded Turntrans-69.6-16.1168.155.10000114L282 I283L282-S285 PolarHBondContact O-OG 3.46Å; I283-S285 PolarHBondContact O-N 3.33Å
286G42.4Very low47.3Very low53 Ų53126.9 Ų126.955%0.54662%0.62SS.*  trans-100.171.1179.700000115.2I283 R284 F288I283-G286 PolarHBondContact O-N 3.37Å; R284-G286 PolarHBondContact O-N 3.03Å; G286-F288 PolarHBondContact O-N 3.37Å
287S35.4Very low46.3Very low111 Ų111131.2 Ų131.278%0.77664%0.644SS**THydrogen-bonded Turntrans-7878.8-173640000115
288F44.1Very low45.2Very low201 Ų201130.1 Ų130.188%0.88265%0.651SS**THydrogen-bonded Turntrans-149.4-2170.4-142.1-101.5000117.6G286G286-F288 PolarHBondContact O-N 3.37Å
289T47.3Very low44.2Very low100 Ų100135.8 Ų135.861%0.61367%0.665SS**SBendtrans-116.2-22.3-162.848.50000117.3N291 K292T289-N291 PolarHBondContact O-N 2.79Å; T289-K292 PolarHBondContact O-N 3.23Å
290E43.7Very low43.4Very low119 Ų119137.8 Ų137.856%0.55668%0.679SS**Hα-helixtrans-55.8-46.6-175.5-71.8178.5157.500112.7R284 K292 R293R284-E290 IonicContact CZ-OE1 3.62Å; R284-E290 IonicContact NE-OE1 2.69Å; R284-E290 PolarHBondContact NE-OE1 3.47Å; R284-E290 IonicContact NH2-OE1 2.77Å; R284-E290 PolarHBondContact NH2-OE1 3.12Å; R284-E290 IonicContact NH2-OE2 3.62Å; E290-K292 PolarHBondContact O-N 2.93Å; E290-R293 PolarHBondContact O-N 3.48Å
291N43.4Very low42.3Very low137 Ų137139.6 Ų139.673%0.73369%0.693SS**Hα-helixtrans-63.3-11.5179-83-29.3000115.1T289T289-N291 PolarHBondContact O-N 2.79Å
292K43.7Very low41.4Very low159 Ų159140.9 Ų140.969%0.69170%0.7SS**Hα-helixtrans-94.2-30.7177.5-148.1175.6-175.2-1760112.4T289 E290 R295T289-K292 PolarHBondContact O-N 3.23Å; E290-K292 PolarHBondContact O-N 2.93Å; K292-R295 PolarHBondContact O-N 2.63Å
293R39Very low40.8Very low171 Ų171142 Ų14265%0.64571%0.706SS**Hα-helixtrans-62.1-48.9174.2-90.2-177170.9156.81.6111.5E290 R295 L296E290-R293 PolarHBondContact O-N 3.48Å; R293-R295 PolarHBondContact O-N 3.26Å; R293-R295 VanDerWaalsContact O-N 3.1Å; R293-L296 PolarHBondContact O-N 3.1Å
294N39.8Very low40Very low116 Ų116145.6 Ų145.662%0.6273%0.73SS**THydrogen-bonded Turntrans-68.7-10.9-176.2-65.65.7000114.4
295R38.5Very low39.1Very low199 Ų199142.3 Ų142.375%0.75174%0.739SS**THydrogen-bonded Turntrans-96.7-10.9176.6-67.5-173.9-175.8-170.51.9114.3K292 R293K292-R295 PolarHBondContact O-N 2.63Å; R293-R295 PolarHBondContact O-N 3.26Å; R293-R295 VanDerWaalsContact O-N 3.1Å
296L39.5Very low38.5Very low128 Ų128144.8 Ų144.867%0.6774%0.743SS**THydrogen-bonded Turntrans-93.1-22.3179.3-77163000112.8R293 L298R293-L296 PolarHBondContact O-N 3.1Å; L296-L298 PolarHBondContact O-N 3.03Å
297L41.8Very low37.8Very low141 Ų141151.4 Ų151.474%0.73876%0.757SS**SBendtrans-78.58.8177.2-73.3163.2000114.8
298L39.3Very low37.5Very low148 Ų148151.6 Ų151.678%0.77576%0.758SS**SBendtrans-126.837.3-172.2-78.2167.4000112L296L296-L298 PolarHBondContact O-N 3.03Å
299R35.6Very low36.9Very low224 Ų224148 Ų14885%0.84575%0.753SS**  trans-153.225.6-172.5-136.6178-171.6-168.80.3116.8
300E38.2Very low36.3Very low163 Ų163153.7 Ų153.776%0.76277%0.769SS**  trans-117.440.5-176.7-63-170.2136.800113.2
301D34.7Very low36.4Very low163 Ų163153.2 Ų153.287%0.87277%0.774SS**  trans-83.1-18.2172.3-76.1-50.8000113.5
302D33.1Very low36.8Very low149 Ų149148.5 Ų148.580%0.79775%0.75SS**  trans-103.5104.6-179.4-74-54.4000111.5
303I35.4Very low37.5Very low162 Ų162143 Ų14383%0.83173%0.732SS**SBendtrans159.5119.9141.9-83.4158.5000111.5
304V32.8Very low38.8Very low140 Ų140137.6 Ų137.685%0.84872%0.716SS**  trans59.181.7173.9-168.10000116.8
305A27.9Very low40.3Very low98 Ų98134.8 Ų134.881%0.8171%0.705SS**  trans-97.3124.7150.100000110.2
306N31.9Very low42.1Very low159 Ų159129.1 Ų129.185%0.8569%0.687SS**  trans-153.9156.8153.8-126-33000112.1
307K28.8Very low44.1Very low192 Ų192123.3 Ų123.384%0.83566%0.657SS**  trans-94.2167.8-150.5-67.7172.9178.3172.30115.6
308S28.2Very low45.9Very low114 Ų114118.2 Ų118.280%0.79763%0.628SS**  trans82.576.6160.766.80000119.5
309T33Very low47.8Very low127 Ų127116.6 Ų116.678%0.77962%0.617SS**  trans-165.9153.6131.812.70000109V311T309-V311 PolarHBondContact O-N 2.89Å
310K35Very low50Low219 Ų219107.6 Ų107.695%0.95258%0.583SS**  trans-77.166.7173.2-82.7-171.6171.5-174.70110.7
311V44.6Very low51.8Low109 Ų109100 Ų10066%0.66155%0.548SS*.PPolyproline II helixtrans-83.3116.8171.5-177.20000108.3T309 S313T309-V311 PolarHBondContact O-N 2.89Å; V311-S313 PolarHBondContact O-N 2.81Å
312V51.3Low53.7Low37 Ų3796.2 Ų96.222%0.22453%0.525CS..PPolyproline II helixtrans-51.5118.1172.7172.60000108.8E316 R339 R453V312-E316 HydrophobicContact CG1-CB 4.22Å; V312-E316 WeakPolarHBondContact CG1-OE2 3.12Å; V312-R339 PolarHBondContact O-NH2 3.04Å; V312-R453 HydrophobicContact CG1-CG 4.21Å; V312-R453 HydrophobicContact CG2-CG 3.84Å
313S58.3Low55.6Low44 Ų4492.7 Ų92.731%0.30851%0.511SS..PPolyproline II helixtrans-62.6147.8-176.568.50000109.7V311 S315 E316V311-S313 PolarHBondContact O-N 2.81Å; S313-S315 PolarHBondContact O-N 3.08Å; S313-S315 PolarHBondContact OG-OG 3.33Å; S313-E316 PolarHBondContact N-OE2 2.77Å; S313-E316 PolarHBondContact O-N 3.38Å; S313-E316 WeakPolarHBondContact OG-CG 3.39Å; S313-E316 PolarHBondContact OG-N 3.12Å; S313-E316 VanDerWaalsContact OG-N 3.1Å
314D67.9Low57.3Low57 Ų5785.9 Ų85.931%0.30548%0.476SS..Hα-helixtrans-63.7-19.7174.1-64.1-78.3000111.2W318 F335 R339 R456D314-W318 WeakPolarHBondContact O-CB 3.34Å; D314-W318 PolarHBondContact O-N 3.44Å; D314-F335 HydrophobicContact CB-CZ 4.28Å; D314-F335 WeakPolarHBondContact O-CE2 3.43Å; D314-R339 VanDerWaalsContact CG-NH2 3.29Å; D314-R339 IonicContact OD1-CZ 3.7Å; D314-R339 IonicContact OD1-NE 2.65Å; D314-R339 PolarHBondContact OD1-NE 3.22Å; D314-R339 IonicContact OD1-NH2 2.64Å; D314-R339 PolarHBondContact OD1-NH2 2.96Å; D314-R339 IonicContact OD2-NH2 3.68Å; D314-R456 IonicContact OD1-CZ 3.03Å; D314-R456 IonicContact OD1-NH1 3.05Å; D314-R456 IonicContact OD1-NH2 3.56Å; D314-R456 PolarHBondContact OD1-NH2 2.93Å
315S70.6Confident59Low57 Ų5787.3 Ų87.340%0.39947%0.471SS..Hα-helixtrans-69.4-42.9170.978.50000113.5S313 C317 W318 E319S313-S315 PolarHBondContact O-N 3.08Å; S313-S315 PolarHBondContact OG-OG 3.33Å; S315-C317 VanDerWaalsContact C-N 3.31Å; S315-C317 PolarHBondContact O-N 3.45Å; S315-W318 CarbonylContact O-C 3.59Å; S315-W318 WeakPolarHBondContact O-CA 3.3Å; S315-W318 WeakPolarHBondContact O-CB 3.32Å; S315-W318 PolarHBondContact O-N 3.43Å; S315-E319 WeakPolarHBondContact CB-OE1 3.36Å; S315-E319 WeakPolarHBondContact O-CB 3.24Å; S315-E319 WeakPolarHBondContact O-CG 3.28Å; S315-E319 PolarHBondContact O-N 3.4Å; S315-E319 PolarHBondContact OG-OE1 3.23Å
316E76Confident61Low81 Ų8183.7 Ų83.738%0.37944%0.436SS..Hα-helixtrans-58.3-40.3-177.8-81.9-179.5131.900112.3V312 S313 W320 R453V312-E316 HydrophobicContact CG1-CB 4.22Å; V312-E316 WeakPolarHBondContact CG1-OE2 3.12Å; S313-E316 PolarHBondContact N-OE2 2.77Å; S313-E316 PolarHBondContact O-N 3.38Å; S313-E316 WeakPolarHBondContact OG-CG 3.39Å; S313-E316 PolarHBondContact OG-N 3.12Å; S313-E316 VanDerWaalsContact OG-N 3.1Å; E316-W320 VanDerWaalsContact O-CB 3.3Å; E316-W320 WeakPolarHBondContact O-CB 3.4Å; E316-W320 PolarHBondContact O-N 3.06Å; E316-R453 IonicContact OE1-CZ 2.67Å; E316-R453 IonicContact OE1-NH2 2.82Å; E316-R453 PolarHBondContact OE1-NH2 3.27Å; E316-R453 IonicContact OE2-CZ 3.98Å; E316-R453 IonicContact OE2-NH2 3.52Å; E316-R453 PolarHBondContact OE2-NH2 3.45Å
317C81.6Confident62.9Low5 Ų576.8 Ų76.83%0.03440%0.401CS..Hα-helixtrans-74.6-35.4173.4178.60000112.6S315 W320 L321 C454S315-C317 VanDerWaalsContact C-N 3.31Å; S315-C317 PolarHBondContact O-N 3.45Å; C317-W320 PolarHBondContact O-N 3.21Å; C317-L321 WeakPolarHBondContact O-CB 3.16Å; C317-L321 WeakPolarHBondContact O-CG 3.3Å; C317-L321 PolarHBondContact O-N 2.9Å; C317-C454 HydrophobicContact CB-CB 3.74Å; C317-C454 WeakPolarHBondContact CB-SG 3.21Å; C317-C454 WeakPolarHBondContact SG-CB 3.33Å; C317-C454 CovalentContact SG-SG 2.02Å; C317-C454 PolarHBondContact SG-SG 3.24Å
318W80.4Confident64.8Low34 Ų3472.2 Ų72.213%0.12939%0.385CS..Hα-helixtrans-62.9-45.6177-179.3-95.6000111.5D314 S315 L321 Q322 T331 F335D314-W318 WeakPolarHBondContact O-CB 3.34Å; D314-W318 PolarHBondContact O-N 3.44Å; S315-W318 CarbonylContact O-C 3.59Å; S315-W318 WeakPolarHBondContact O-CA 3.3Å; S315-W318 WeakPolarHBondContact O-CB 3.32Å; S315-W318 PolarHBondContact O-N 3.43Å; W318-L321 PolarHBondContact O-N 3.28Å; W318-Q322 HydrophobicContact CZ2-CG 4.07Å; W318-Q322 WeakPolarHBondContact O-CB 3.45Å; W318-Q322 WeakPolarHBondContact O-CG 3.25Å; W318-Q322 PolarHBondContact O-N 3.44Å; W318-T331 HydrophobicContact CE3-CG2 4.45Å; W318-T331 HydrophobicContact CH2-CG2 3.53Å; W318-T331 HydrophobicContact CZ2-CG2 3.89Å; W318-T331 HydrophobicContact CZ3-CG2 3.86Å; W318-F335 HydrophobicContact CB-CD2 4.4Å; W318-F335 HydrophobicContact CB-CE2 4.09Å; W318-F335 HydrophobicContact CE3-CB 3.85Å; W318-F335 HydrophobicContact CE3-CD1 4.1Å; W318-F335 AromaticContact CE3-CD2 3.84Å; W318-F335 HydrophobicContact CE3-CD2 3.84Å; W318-F335 HydrophobicContact CE3-CE2 4.36Å; W318-F335 AromaticContact CE3-CG 3.68Å; W318-F335 HydrophobicContact CE3-CG 3.68Å; W318-F335 HydrophobicContact CZ3-CB 3.79Å; W318-F335 HydrophobicContact CZ3-CD1 4.43Å; W318-F335 HydrophobicContact CZ3-CG 4.07Å
319E79.1Confident66.8Low114 Ų11471.1 Ų71.153%0.53336%0.364SS..Hα-helixtrans-62.3-43.7174.3-69.6163-13900111.5S315 Q322 S323S315-E319 WeakPolarHBondContact CB-OE1 3.36Å; S315-E319 WeakPolarHBondContact O-CB 3.24Å; S315-E319 WeakPolarHBondContact O-CG 3.28Å; S315-E319 PolarHBondContact O-N 3.4Å; S315-E319 PolarHBondContact OG-OE1 3.23Å; E319-Q322 PolarHBondContact O-N 3.45Å; E319-S323 PolarHBondContact O-N 2.7Å
320W80.8Confident68.9Low35 Ų3565.1 Ų65.113%0.13333%0.327CS..Hα-helixtrans-61.5-43.4173.9174.971.8000112.4E316 C317 Q322 S323 F324 L338 N450 L451 C454E316-W320 VanDerWaalsContact O-CB 3.3Å; E316-W320 WeakPolarHBondContact O-CB 3.4Å; E316-W320 PolarHBondContact O-N 3.06Å; C317-W320 PolarHBondContact O-N 3.21Å; W320-Q322 VanDerWaalsContact C-N 3.33Å; W320-Q322 PolarHBondContact O-N 3.33Å; W320-S323 WeakPolarHBondContact O-CB 3.39Å; W320-S323 PolarHBondContact O-N 2.97Å; W320-S323 PolarHBondContact O-OG 2.94Å; W320-F324 AromaticContact CD2-CE2 3.96Å; W320-F324 HydrophobicContact CD2-CE2 3.96Å; W320-F324 AromaticContact CE2-CE2 3.53Å; W320-F324 AromaticContact CE2-CZ 3.71Å; W320-F324 HydrophobicContact CE3-CE2 4.36Å; W320-F324 AromaticContact CH2-CE2 4Å; W320-F324 HydrophobicContact CH2-CE2 4Å; W320-F324 HydrophobicContact CH2-CZ 4.31Å; W320-F324 AromaticContact CZ2-CE2 3.58Å; W320-F324 HydrophobicContact CZ2-CE2 3.58Å; W320-F324 AromaticContact CZ2-CZ 3.58Å; W320-F324 HydrophobicContact CZ2-CZ 3.58Å; W320-F324 HydrophobicContact CZ3-CE2 4.38Å; W320-F324 AromaticContact NE1-CE2 3.85Å; W320-F324 AromaticContact NE1-CZ 3.79Å; W320-F324 WeakPolarHBondContact O-CD2 3.27Å; W320-F324 WeakPolarHBondContact O-CE2 3.48Å; W320-L338 HydrophobicContact CZ3-CD1 4.38Å; W320-N450 HydrophobicContact CD2-CB 4.02Å; W320-N450 HydrophobicContact CG-CB 4.14Å; W320-N450 HydrophobicContact CZ2-CB 4.09Å; W320-L451 VanDerWaalsContact CH2-CA 3.47Å; W320-L451 HydrophobicContact CH2-CB 3.68Å; W320-L451 HydrophobicContact CH2-CD1 3.9Å; W320-L451 HydrophobicContact CH2-CG 4.4Å; W320-L451 HydrophobicContact CZ2-CB 4.11Å; W320-L451 HydrophobicContact CZ3-CD1 4.41Å; W320-C454 HydrophobicContact CZ3-CB 4.42Å
321L76.8Confident70.9Confident5 Ų554.7 Ų54.73%0.02628%0.281CS..Hα-helixtrans-66-34.3174.5-75.5175000112.6C317 W318 S323 T331 L334 F335 L338C317-L321 WeakPolarHBondContact O-CB 3.16Å; C317-L321 WeakPolarHBondContact O-CG 3.3Å; C317-L321 PolarHBondContact O-N 2.9Å; W318-L321 PolarHBondContact O-N 3.28Å; L321-S323 VanDerWaalsContact C-N 3.32Å; L321-T331 HydrophobicContact CB-CG2 3.88Å; L321-L334 HydrophobicContact CD1-CB 4.49Å; L321-L334 HydrophobicContact CD2-CB 4.41Å; L321-F335 HydrophobicContact CD1-CB 3.74Å; L321-F335 HydrophobicContact CD1-CD2 4.02Å; L321-F335 HydrophobicContact CD1-CG 4.39Å; L321-L338 HydrophobicContact CD1-CD1 4.37Å; L321-L338 HydrophobicContact CD2-CD1 4.21Å
322Q74.7Confident72.5Confident83 Ų8350.3 Ų50.339%0.38826%0.255SS..Hα-helixtrans-70.4-25.7173.4-76.9-170.7-50.800113W318 E319 W320 F324 K325 T331W318-Q322 HydrophobicContact CZ2-CG 4.07Å; W318-Q322 WeakPolarHBondContact O-CB 3.45Å; W318-Q322 WeakPolarHBondContact O-CG 3.25Å; W318-Q322 PolarHBondContact O-N 3.44Å; E319-Q322 PolarHBondContact O-N 3.45Å; W320-Q322 VanDerWaalsContact C-N 3.33Å; W320-Q322 PolarHBondContact O-N 3.33Å; Q322-F324 PolarHBondContact O-N 2.83Å; Q322-K325 PolarHBondContact O-N 3.06Å; Q322-T331 HydrophobicContact CG-CG2 4.01Å
323S73.4Confident73.8Confident74 Ų7448.6 Ų48.652%0.51725%0.245SC..Hα-helixtrans-60-29.2178.278.90000113.3E319 W320 L321 K325E319-S323 PolarHBondContact O-N 2.7Å; W320-S323 WeakPolarHBondContact O-CB 3.39Å; W320-S323 PolarHBondContact O-N 2.97Å; W320-S323 PolarHBondContact O-OG 2.94Å; L321-S323 VanDerWaalsContact C-N 3.32Å; S323-K325 PolarHBondContact O-N 3.17Å
324F69.6Low74.8Confident19 Ų1947.7 Ų47.78%0.08324%0.236CC..THydrogen-bonded Turntrans-73.7-3.1173.3-59.3-73000114.6A246 S249 F250 W320 Q322 F326A246-F324 HydrophobicContact CB-CD1 4.31Å; S249-F324 WeakPolarHBondContact OG-CE1 3.39Å; F250-F324 HydrophobicContact CD2-CD1 4.33Å; F250-F324 HydrophobicContact CD2-CE1 4.25Å; F250-F324 AromaticContact CE2-CD1 3.78Å; F250-F324 HydrophobicContact CE2-CD1 3.78Å; F250-F324 AromaticContact CE2-CE1 3.76Å; F250-F324 HydrophobicContact CE2-CE1 3.76Å; F250-F324 HydrophobicContact CE2-CG 4.22Å; F250-F324 HydrophobicContact CE2-CZ 4.17Å; W320-F324 AromaticContact CD2-CE2 3.96Å; W320-F324 HydrophobicContact CD2-CE2 3.96Å; W320-F324 AromaticContact CE2-CE2 3.53Å; W320-F324 AromaticContact CE2-CZ 3.71Å; W320-F324 HydrophobicContact CE3-CE2 4.36Å; W320-F324 AromaticContact CH2-CE2 4Å; W320-F324 HydrophobicContact CH2-CE2 4Å; W320-F324 HydrophobicContact CH2-CZ 4.31Å; W320-F324 AromaticContact CZ2-CE2 3.58Å; W320-F324 HydrophobicContact CZ2-CE2 3.58Å; W320-F324 AromaticContact CZ2-CZ 3.58Å; W320-F324 HydrophobicContact CZ2-CZ 3.58Å; W320-F324 HydrophobicContact CZ3-CE2 4.38Å; W320-F324 AromaticContact NE1-CE2 3.85Å; W320-F324 AromaticContact NE1-CZ 3.79Å; W320-F324 WeakPolarHBondContact O-CD2 3.27Å; W320-F324 WeakPolarHBondContact O-CE2 3.48Å; Q322-F324 PolarHBondContact O-N 2.83Å; F324-F326 HydrophobicContact CB-CD1 4.47Å; F324-F326 HydrophobicContact CB-CD2 3.65Å; F324-F326 HydrophobicContact CB-CE1 4.32Å; F324-F326 HydrophobicContact CB-CE2 3.47Å; F324-F326 VanDerWaalsContact CB-CE2 3.47Å; F324-F326 HydrophobicContact CB-CG 4.16Å; F324-F326 HydrophobicContact CB-CZ 3.84Å; F324-F326 HydrophobicContact CD2-CD2 4.44Å; F324-F326 AromaticContact CD2-CE2 3.94Å; F324-F326 HydrophobicContact CD2-CE2 3.94Å; F324-F326 HydrophobicContact CG-CD2 4.37Å; F324-F326 AromaticContact CG-CE2 3.82Å; F324-F326 HydrophobicContact CG-CE2 3.82Å; F324-F326 HydrophobicContact CG-CZ 4.24Å; F324-F326 PolarHBondContact O-N 2.91Å
325K68.6Low75.7Confident171 Ų17145.4 Ų45.474%0.74322%0.224SC*.THydrogen-bonded Turntrans56.828-180-53.8167.9-171.4160.70114.2Q322 S323Q322-K325 PolarHBondContact O-N 3.06Å; S323-K325 PolarHBondContact O-N 3.17Å
326F70.9Confident76.3Confident21 Ų2142.7 Ų42.79%0.09221%0.205CC..  trans-61.7151175-68.4-46.3000112F250 L269 F324 D328 L330 T331 L334F250-F326 HydrophobicContact CE2-CE2 4.15Å; F250-F326 AromaticContact CE2-CZ 3.63Å; F250-F326 HydrophobicContact CE2-CZ 3.63Å; F250-F326 HydrophobicContact CZ-CE2 4.21Å; F250-F326 AromaticContact CZ-CZ 3.87Å; F250-F326 HydrophobicContact CZ-CZ 3.87Å; L269-F326 HydrophobicContact CD1-CE1 4.23Å; L269-F326 HydrophobicContact CD2-CD1 3.92Å; L269-F326 HydrophobicContact CD2-CE1 4.06Å; F324-F326 HydrophobicContact CB-CD1 4.47Å; F324-F326 HydrophobicContact CB-CD2 3.65Å; F324-F326 HydrophobicContact CB-CE1 4.32Å; F324-F326 HydrophobicContact CB-CE2 3.47Å; F324-F326 VanDerWaalsContact CB-CE2 3.47Å; F324-F326 HydrophobicContact CB-CG 4.16Å; F324-F326 HydrophobicContact CB-CZ 3.84Å; F324-F326 HydrophobicContact CD2-CD2 4.44Å; F324-F326 AromaticContact CD2-CE2 3.94Å; F324-F326 HydrophobicContact CD2-CE2 3.94Å; F324-F326 HydrophobicContact CG-CD2 4.37Å; F324-F326 AromaticContact CG-CE2 3.82Å; F324-F326 HydrophobicContact CG-CE2 3.82Å; F324-F326 HydrophobicContact CG-CZ 4.24Å; F324-F326 PolarHBondContact O-N 2.91Å; F326-D328 PolarHBondContact O-N 2.72Å; F326-L330 HydrophobicContact CB-CD2 4.24Å; F326-L330 HydrophobicContact CB-CG 4.41Å; F326-L330 HydrophobicContact CD1-CD2 3.89Å; F326-L330 HydrophobicContact CE1-CD2 4.49Å; F326-L330 HydrophobicContact CG-CD2 4.12Å; F326-T331 WeakPolarHBondContact CB-OG1 3.5Å; F326-T331 PolarHBondContact O-OG1 2.88Å; F326-L334 HydrophobicContact CD2-CD1 3.84Å; F326-L334 HydrophobicContact CE2-CD1 3.84Å
327P70.6Confident76.6Confident15 Ų1540.2 Ų40.210%0.09719%0.194CC..  trans-56.4136.2171.9-13.620.7000110.9R272 T273 E276 R329 L330 T331R272-P327 HydrophobicContact CG-CG 4.27Å; T273-P327 HydrophobicContact CG2-CG 3.81Å; E276-P327 WeakPolarHBondContact OE2-CB 3.41Å; P327-R329 PolarHBondContact O-N 3.09Å; P327-L330 HydrophobicContact CB-CB 4.45Å; P327-L330 HydrophobicContact CG-CB 4.35Å; P327-L330 CarbonylContact O-C 3.38Å; P327-L330 WeakPolarHBondContact O-CA 3.32Å; P327-L330 WeakPolarHBondContact O-CB 3.48Å; P327-L330 PolarHBondContact O-N 2.78Å; P327-T331 PolarHBondContact O-N 3.16Å; P327-T331 PolarHBondContact O-OG1 3.43Å; P327-T331 VanDerWaalsContact O-OG1 3.06Å
328D69.2Low76.6Confident96 Ų9641.1 Ų41.151%0.51320%0.198SC..Hα-helixtrans-49.5-34.7-174.2-94.3-9.8000114.2F326 T332F326-D328 PolarHBondContact O-N 2.72Å; D328-T332 VanDerWaalsContact O-CB 3.32Å; D328-T332 WeakPolarHBondContact O-CB 3.08Å; D328-T332 PolarHBondContact O-N 3.47Å; D328-T332 PolarHBondContact O-OG1 2.77Å
329R71.4Confident76.9Confident90 Ų9040.1 Ų40.134%0.3419%0.194SC..Hα-helixtrans-70.4-38.9175.9-169.1177.1-176127.13.5112.4P327 Q333P327-R329 PolarHBondContact O-N 3.09Å; R329-Q333 WeakPolarHBondContact O-CB 3.36Å; R329-Q333 WeakPolarHBondContact O-CG 3.46Å; R329-Q333 PolarHBondContact O-N 3.45Å; R329-Q333 PolarHBondContact O-OE1 2.85Å
330L75.5Confident77.1Confident1 Ų134.7 Ų34.71%0.00517%0.169CC..Hα-helixtrans-67.8-44.1172-179.958.3000110.8L269 F326 P327 T332 Q333 L334 F533L269-L330 HydrophobicContact CD2-CD2 3.98Å; F326-L330 HydrophobicContact CB-CD2 4.24Å; F326-L330 HydrophobicContact CB-CG 4.41Å; F326-L330 HydrophobicContact CD1-CD2 3.89Å; F326-L330 HydrophobicContact CE1-CD2 4.49Å; F326-L330 HydrophobicContact CG-CD2 4.12Å; P327-L330 HydrophobicContact CB-CB 4.45Å; P327-L330 HydrophobicContact CG-CB 4.35Å; P327-L330 CarbonylContact O-C 3.38Å; P327-L330 WeakPolarHBondContact O-CA 3.32Å; P327-L330 WeakPolarHBondContact O-CB 3.48Å; P327-L330 PolarHBondContact O-N 2.78Å; L330-T332 VanDerWaalsContact C-N 3.28Å; L330-T332 PolarHBondContact O-N 3.42Å; L330-Q333 WeakPolarHBondContact O-CB 3.27Å; L330-Q333 PolarHBondContact O-N 2.79Å; L330-Q333 VanDerWaalsContact O-N 3.11Å; L330-L334 HydrophobicContact CD1-CD1 4.02Å; L330-L334 HydrophobicContact CD1-CD2 4.44Å; L330-L334 HydrophobicContact CD1-CG 3.93Å; L330-L334 HydrophobicContact CG-CD1 3.9Å; L330-L334 HydrophobicContact CG-CG 4.26Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.38Å; L330-F533 HydrophobicContact CD1-CB 4.47Å; L330-F533 HydrophobicContact CD1-CD1 4.02Å; L330-F533 HydrophobicContact CD1-CE1 4.38Å; L330-F533 HydrophobicContact CD1-CG 4.09Å
331T78Confident77.5Confident0 Ų033.8 Ų33.80%017%0.166CC..Hα-helixtrans-57.4-42.9176.2-42.40000110.9W318 L321 Q322 F326 P327 L334 F335W318-T331 HydrophobicContact CE3-CG2 4.45Å; W318-T331 HydrophobicContact CH2-CG2 3.53Å; W318-T331 HydrophobicContact CZ2-CG2 3.89Å; W318-T331 HydrophobicContact CZ3-CG2 3.86Å; L321-T331 HydrophobicContact CB-CG2 3.88Å; Q322-T331 HydrophobicContact CG-CG2 4.01Å; F326-T331 WeakPolarHBondContact CB-OG1 3.5Å; F326-T331 PolarHBondContact O-OG1 2.88Å; P327-T331 PolarHBondContact O-N 3.16Å; P327-T331 PolarHBondContact O-OG1 3.43Å; P327-T331 VanDerWaalsContact O-OG1 3.06Å; T331-L334 PolarHBondContact O-N 2.83Å; T331-F335 VanDerWaalsContact O-CB 3.26Å; T331-F335 WeakPolarHBondContact O-CB 3.41Å; T331-F335 PolarHBondContact O-N 3.1Å
332T76.9Confident78.1Confident17 Ų1733.8 Ų33.810%0.10417%0.166CC..Hα-helixtrans-64.5-43.2173.8-58.30000112.7D328 L330 T336 R480 F511D328-T332 VanDerWaalsContact O-CB 3.32Å; D328-T332 WeakPolarHBondContact O-CB 3.08Å; D328-T332 PolarHBondContact O-N 3.47Å; D328-T332 PolarHBondContact O-OG1 2.77Å; L330-T332 VanDerWaalsContact C-N 3.28Å; L330-T332 PolarHBondContact O-N 3.42Å; T332-T336 PolarHBondContact O-N 3.27Å; T332-T336 PolarHBondContact O-OG1 3.33Å; T332-R480 HydrophobicContact CG2-CB 4.26Å; T332-R480 HydrophobicContact CG2-CG 3.93Å; T332-F511 HydrophobicContact CG2-CE2 4Å; T332-F511 HydrophobicContact CG2-CZ 4.04Å
333Q79.3Confident78.9Confident2 Ų229.9 Ų29.91%0.00915%0.148CC..Hα-helixtrans-63.1-43.6176.1-74.3164.1-33.300112.1R329 L330 T336 L337 F511 L512 F541R329-Q333 WeakPolarHBondContact O-CB 3.36Å; R329-Q333 WeakPolarHBondContact O-CG 3.46Å; R329-Q333 PolarHBondContact O-N 3.45Å; R329-Q333 PolarHBondContact O-OE1 2.85Å; L330-Q333 WeakPolarHBondContact O-CB 3.27Å; L330-Q333 PolarHBondContact O-N 2.79Å; L330-Q333 VanDerWaalsContact O-N 3.11Å; Q333-T336 WeakPolarHBondContact CA-OG1 3.28Å; Q333-T336 PolarHBondContact O-OG1 3.45Å; Q333-L337 WeakPolarHBondContact O-CB 3.42Å; Q333-L337 PolarHBondContact O-N 2.97Å; Q333-F511 HydrophobicContact CG-CD2 3.9Å; Q333-F511 HydrophobicContact CG-CE2 4.47Å; Q333-F511 PolarHBondContact NE2-O 3.46Å; Q333-L512 HydrophobicContact CB-CD2 4.33Å; Q333-L512 HydrophobicContact CG-CD2 4.11Å; Q333-F541 HydrophobicContact CB-CD1 4.03Å; Q333-F541 HydrophobicContact CB-CE1 3.56Å; Q333-F541 HydrophobicContact CB-CZ 4.01Å; Q333-F541 HydrophobicContact CG-CD1 4.43Å; Q333-F541 HydrophobicContact CG-CE1 3.96Å; Q333-F541 HydrophobicContact CG-CE2 4.36Å; Q333-F541 HydrophobicContact CG-CZ 3.91Å; Q333-F541 VanDerWaalsContact NE2-CE2 3.31Å; Q333-F541 VanDerWaalsContact NE2-CZ 3.35Å; Q333-F541 VanDerWaalsContact OE1-CZ 3.3Å
334L80.4Confident79.8Confident24 Ų2426.3 Ų26.313%0.12612%0.123CC..Hα-helixtrans-69.4-40.3177.8-67.6173.3000111.9L321 F326 L330 T331 L337 L338L321-L334 HydrophobicContact CD1-CB 4.49Å; L321-L334 HydrophobicContact CD2-CB 4.41Å; F326-L334 HydrophobicContact CD2-CD1 3.84Å; F326-L334 HydrophobicContact CE2-CD1 3.84Å; L330-L334 HydrophobicContact CD1-CD1 4.02Å; L330-L334 HydrophobicContact CD1-CD2 4.44Å; L330-L334 HydrophobicContact CD1-CG 3.93Å; L330-L334 HydrophobicContact CG-CD1 3.9Å; L330-L334 HydrophobicContact CG-CG 4.26Å; L330-L334 WeakPolarHBondContact O-CG 3.47Å; L330-L334 PolarHBondContact O-N 3.38Å; T331-L334 PolarHBondContact O-N 2.83Å; L334-L337 CarbonylContact O-C 3.59Å; L334-L337 PolarHBondContact O-N 3.33Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 3.26Å
335F85.4Confident80.8Confident10 Ų1025.6 Ų25.64%0.04412%0.12CC..Hα-helixtrans-63.5-44.5176.5-177.1-101.9000112.2D314 W318 L321 T331 L337 L338 R339 R480 M481D314-F335 HydrophobicContact CB-CZ 4.28Å; D314-F335 WeakPolarHBondContact O-CE2 3.43Å; W318-F335 HydrophobicContact CB-CD2 4.4Å; W318-F335 HydrophobicContact CB-CE2 4.09Å; W318-F335 HydrophobicContact CE3-CB 3.85Å; W318-F335 HydrophobicContact CE3-CD1 4.1Å; W318-F335 AromaticContact CE3-CD2 3.84Å; W318-F335 HydrophobicContact CE3-CD2 3.84Å; W318-F335 HydrophobicContact CE3-CE2 4.36Å; W318-F335 AromaticContact CE3-CG 3.68Å; W318-F335 HydrophobicContact CE3-CG 3.68Å; W318-F335 HydrophobicContact CZ3-CB 3.79Å; W318-F335 HydrophobicContact CZ3-CD1 4.43Å; W318-F335 HydrophobicContact CZ3-CG 4.07Å; L321-F335 HydrophobicContact CD1-CB 3.74Å; L321-F335 HydrophobicContact CD1-CD2 4.02Å; L321-F335 HydrophobicContact CD1-CG 4.39Å; T331-F335 VanDerWaalsContact O-CB 3.26Å; T331-F335 WeakPolarHBondContact O-CB 3.41Å; T331-F335 PolarHBondContact O-N 3.1Å; F335-L337 VanDerWaalsContact C-N 3.3Å; F335-L337 PolarHBondContact O-N 3.12Å; F335-L338 PolarHBondContact O-N 2.97Å; F335-R339 PolarHBondContact O-N 3.34Å; F335-R480 HydrophobicContact CD1-CB 4.04Å; F335-R480 WeakPolarHBondContact CD1-O 3.2Å; F335-R480 HydrophobicContact CE1-CB 4.26Å; F335-M481 HydrophobicContact CE1-CG 4.38Å
336T83.3Confident81.9Confident0 Ų018.1 Ų18.10%09%0.089CC..Hα-helixtrans-61.6-37.5172.844.40000112.1T332 Q333 L338 G340 R480 F482 F483 F511T332-T336 PolarHBondContact O-N 3.27Å; T332-T336 PolarHBondContact O-OG1 3.33Å; Q333-T336 WeakPolarHBondContact CA-OG1 3.28Å; Q333-T336 PolarHBondContact O-OG1 3.45Å; T336-L338 VanDerWaalsContact C-N 3.34Å; T336-L338 PolarHBondContact O-N 3.5Å; T336-G340 VanDerWaalsContact O-CA 3.3Å; T336-G340 WeakPolarHBondContact O-CA 3.37Å; T336-G340 PolarHBondContact O-N 2.89Å; T336-R480 WeakPolarHBondContact CG2-O 3.45Å; T336-F482 WeakPolarHBondContact CG2-O 3.14Å; T336-F483 WeakPolarHBondContact O-CD2 3.4Å; T336-F511 HydrophobicContact CG2-CE2 4.23Å; T336-F511 HydrophobicContact CG2-CZ 4.14Å
337L82.9Confident82.6Confident28 Ų2818.5 Ų18.515%0.1479%0.094CC..Hα-helixtrans-69.6-23.6175.5-172.764.4000113.8Q333 L334 F335 R459 F483Q333-L337 WeakPolarHBondContact O-CB 3.42Å; Q333-L337 PolarHBondContact O-N 2.97Å; L334-L337 CarbonylContact O-C 3.59Å; L334-L337 PolarHBondContact O-N 3.33Å; F335-L337 VanDerWaalsContact C-N 3.3Å; F335-L337 PolarHBondContact O-N 3.12Å; L337-R459 VanDerWaalsContact O-CZ 3.26Å; L337-R459 PolarHBondContact O-NH1 3.22Å; L337-R459 PolarHBondContact O-NH2 2.91Å; L337-F483 HydrophobicContact CB-CE2 4.48Å; L337-F483 HydrophobicContact CD1-CE2 3.79Å; L337-F483 HydrophobicContact CD1-CZ 3.85Å
338L82.5Confident83.5Confident25 Ų2518 Ų1813%0.1319%0.091CC..Hα-helixtrans-98-35.5179.6-69175000114.4W320 L321 L334 F335 T336 L451 C454 F455 R456 R459W320-L338 HydrophobicContact CZ3-CD1 4.38Å; L321-L338 HydrophobicContact CD1-CD1 4.37Å; L321-L338 HydrophobicContact CD2-CD1 4.21Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 3.26Å; F335-L338 PolarHBondContact O-N 2.97Å; T336-L338 VanDerWaalsContact C-N 3.34Å; T336-L338 PolarHBondContact O-N 3.5Å; L338-L451 HydrophobicContact CD1-CD1 4.25Å; L338-L451 HydrophobicContact CD2-CD1 4.16Å; L338-C454 HydrophobicContact CD1-CB 4.42Å; L338-F455 HydrophobicContact CD2-CD2 4.08Å; L338-R456 PolarHBondContact O-N 2.94Å; L338-R459 PolarHBondContact O-NH2 2.65Å; L338-R459 VanDerWaalsContact O-NH2 3.08Å
339R84.7Confident84.4Confident13 Ų1315.9 Ų15.95%0.0498%0.083CC..Hα-helixtrans-125.2-8-174.6-70.2-177.977.9105.8-17.9115.6V312 D314 F335 C454 R456V312-R339 PolarHBondContact O-NH2 3.04Å; D314-R339 VanDerWaalsContact CG-NH2 3.29Å; D314-R339 IonicContact OD1-CZ 3.7Å; D314-R339 IonicContact OD1-NE 2.65Å; D314-R339 PolarHBondContact OD1-NE 3.22Å; D314-R339 IonicContact OD1-NH2 2.64Å; D314-R339 PolarHBondContact OD1-NH2 2.96Å; D314-R339 IonicContact OD2-NH2 3.68Å; F335-R339 PolarHBondContact O-N 3.34Å; R339-C454 WeakPolarHBondContact CG-O 3.14Å; R339-C454 PolarHBondContact NH1-O 2.87Å; R339-R456 PolarHBondContact O-NH1 3.2Å
340G84.2Confident85.2Confident0 Ų012 Ų120%07%0.068CC..  trans-67.2149.7-174.900000114.6T336 R459 M481T336-G340 VanDerWaalsContact O-CA 3.3Å; T336-G340 WeakPolarHBondContact O-CA 3.37Å; T336-G340 PolarHBondContact O-N 2.89Å; G340-R459 WeakPolarHBondContact O-CD 3.17Å; G340-M481 CarbonylContact C-O 3.49Å; G340-M481 VanDerWaalsContact CA-O 3.29Å; G340-M481 WeakPolarHBondContact CA-O 3.37Å
341F88.2Confident85.8Confident15 Ų1512 Ų127%0.0667%0.068CC..EExtended strand (participates in β ladder)trans-88.7149.6178.7-65.7-73.1000112.6L476 M481 F483 S484F341-L476 HydrophobicContact CB-CD1 4.21Å; F341-L476 HydrophobicContact CD2-CD1 4.21Å; F341-L476 HydrophobicContact CD2-CD2 3.94Å; F341-L476 HydrophobicContact CE2-CD2 4.32Å; F341-M481 HydrophobicContact CD2-CB 4.27Å; F341-M481 HydrophobicContact CE2-SD 3.97Å; F341-M481 PolarHBondContact N-O 3.22Å; F341-F483 WeakPolarHBondContact O-CB 3.32Å; F341-F483 PolarHBondContact O-N 3.42Å; F341-F483 VanDerWaalsContact O-N 3.08Å; F341-S484 PolarHBondContact O-N 3.44Å
342I90.3Very high86.3Confident6 Ų617.1 Ų17.13%0.0319%0.091CC..EExtended strand (participates in β ladder)trans-109.2115.8171.7-60.5158.8000107.8V344 R459 F460 R461 F483 S484 I486 L546I342-V344 HydrophobicContact CG2-CG2 4.27Å; I342-R459 HydrophobicContact CD1-CB 4.13Å; I342-R459 HydrophobicContact CG1-CB 4.43Å; I342-R459 PolarHBondContact N-O 3.2Å; I342-F460 HydrophobicContact CB-CD1 3.9Å; I342-F460 HydrophobicContact CB-CE1 4.22Å; I342-F460 HydrophobicContact CB-CG 4.41Å; I342-F460 HydrophobicContact CD1-CD1 4.1Å; I342-F460 HydrophobicContact CD1-CD2 4.42Å; I342-F460 HydrophobicContact CD1-CE1 3.71Å; I342-F460 HydrophobicContact CD1-CE2 4.06Å; I342-F460 HydrophobicContact CD1-CG 4.44Å; I342-F460 HydrophobicContact CD1-CZ 3.69Å; I342-F460 HydrophobicContact CG2-CD1 3.6Å; I342-F460 HydrophobicContact CG2-CE1 3.74Å; I342-F460 CarbonylContact O-C 3.58Å; I342-F460 WeakPolarHBondContact O-CA 3.36Å; I342-R461 PolarHBondContact O-N 3.07Å; I342-F483 HydrophobicContact CD1-CD1 4.33Å; I342-F483 HydrophobicContact CG1-CD1 3.85Å; I342-S484 CarbonylContact C-O 3.32Å; I342-S484 VanDerWaalsContact CA-O 3.29Å; I342-S484 WeakPolarHBondContact CA-O 3.36Å; I342-I486 HydrophobicContact CG2-CD1 3.59Å; I342-I486 HydrophobicContact CG2-CG1 4.12Å; I342-L546 HydrophobicContact CD1-CD2 3.71Å; I342-L546 HydrophobicContact CG1-CD2 4.36Å
343L91.8Very high86.7Confident0 Ų021.5 Ų21.50%011%0.108CC..EExtended strand (participates in β ladder)trans-91142.5175-55.8-175.8000109.7R461 V463 M469 Q472 A473 L476 F482 S484 G485 I486L343-R461 CarbonylContact C-O 3.59Å; L343-R461 WeakPolarHBondContact CA-O 3.42Å; L343-R461 HydrophobicContact CD2-CB 4.11Å; L343-V463 HydrophobicContact CB-CG2 4.1Å; L343-V463 HydrophobicContact CD2-CG2 4.16Å; L343-V463 HydrophobicContact CG-CG2 4.49Å; L343-M469 HydrophobicContact CB-CE 4.21Å; L343-M469 HydrophobicContact CB-CG 3.8Å; L343-M469 HydrophobicContact CB-SD 4.46Å; L343-M469 HydrophobicContact CD1-CG 3.9Å; L343-Q472 HydrophobicContact CD1-CB 3.76Å; L343-A473 HydrophobicContact CD1-CB 4.26Å; L343-L476 HydrophobicContact CD1-CD1 4.38Å; L343-L476 HydrophobicContact CD2-CD1 4.12Å; L343-F482 HydrophobicContact CD1-CD2 4.36Å; L343-F482 HydrophobicContact CD1-CE2 4.07Å; L343-F482 HydrophobicContact CG-CE2 4.26Å; L343-S484 PolarHBondContact N-O 3.06Å; L343-G485 CarbonylContact O-C 3.48Å; L343-G485 VanDerWaalsContact O-CA 3.28Å; L343-G485 WeakPolarHBondContact O-CA 3.4Å; L343-I486 PolarHBondContact O-N 3Å
344V92Very high87.1Confident0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-135131.7-177.4-167.40000110.6I342 V351 I355 W358 F460 R461 M462 V463 I486 F488I342-V344 HydrophobicContact CG2-CG2 4.27Å; V344-V351 HydrophobicContact CB-CG1 4.38Å; V344-V351 HydrophobicContact CG1-CG1 3.56Å; V344-I355 HydrophobicContact CB-CD1 3.85Å; V344-I355 HydrophobicContact CG1-CD1 4.12Å; V344-I355 HydrophobicContact CG2-CD1 3.91Å; V344-I355 HydrophobicContact CG2-CG1 4.26Å; V344-W358 HydrophobicContact CG1-CZ3 4.18Å; V344-W358 HydrophobicContact CG2-CZ3 4.24Å; V344-F460 HydrophobicContact CG2-CD1 4.11Å; V344-R461 PolarHBondContact N-O 3.07Å; V344-M462 CarbonylContact O-C 3.51Å; V344-M462 WeakPolarHBondContact O-CA 3.33Å; V344-V463 PolarHBondContact O-N 2.92Å; V344-I486 CarbonylContact C-O 3.54Å; V344-I486 WeakPolarHBondContact CA-O 3.31Å; V344-I486 HydrophobicContact CG1-CB 4.21Å; V344-I486 HydrophobicContact CG1-CG2 4.35Å; V344-I486 HydrophobicContact CG2-CB 4.41Å; V344-I486 HydrophobicContact CG2-CD1 4.29Å; V344-F488 HydrophobicContact CG1-CE2 4.14Å
345S90.9Very high87.4Confident4 Ų420.6 Ų20.63%0.02810%0.103CC..EExtended strand (participates in β ladder)trans-137146.9-179.1170.10000111.3V463 T465 E466 I486 V487 F488S345-V463 WeakPolarHBondContact CA-O 3.33Å; S345-T465 WeakPolarHBondContact OG-CA 3.18Å; S345-E466 PolarHBondContact OG-N 3.36Å; S345-I486 PolarHBondContact N-O 2.73Å; S345-V487 WeakPolarHBondContact O-CA 3.35Å; S345-F488 PolarHBondContact O-N 2.91Å
346P90.8Very high87.5Confident13 Ų1323.7 Ų23.78%0.08412%0.12CC..SBendcis-86.4167.5-1.721.9-11.9000113.2T348 L491P346-T348 HydrophobicContact CB-CG2 4.12Å; P346-T348 HydrophobicContact CG-CG2 3.82Å; P346-T348 PolarHBondContact O-N 2.9Å; P346-L491 HydrophobicContact CG-CB 4.05Å; P346-L491 WeakPolarHBondContact CG-O 3.49Å
347S86.5Confident87.4Confident29 Ų2927.2 Ų27.220%0.20314%0.136CC..  trans-71.593.2172.852.30000110.9V463 D464S347-V463 PolarHBondContact N-O 3.14Å; S347-D464 WeakPolarHBondContact CB-OD1 3.43Å; S347-D464 WeakPolarHBondContact OG-CA 3.24Å; S347-D464 VanDerWaalsContact OG-CG 3.28Å; S347-D464 PolarHBondContact OG-OD1 3.06Å
348T88.4Confident87.6Confident5 Ų526 Ų263%0.03113%0.129CC..  trans-126.5156.7-177.770.90000111.7P346 I350 V351 K352 L491 N492P346-T348 HydrophobicContact CB-CG2 4.12Å; P346-T348 HydrophobicContact CG-CG2 3.82Å; P346-T348 PolarHBondContact O-N 2.9Å; T348-I350 VanDerWaalsContact C-N 3.26Å; T348-I350 PolarHBondContact O-N 3.06Å; T348-I350 WeakPolarHBondContact OG1-CG2 3.48Å; T348-V351 PolarHBondContact O-N 3.08Å; T348-V351 VanDerWaalsContact OG1-CB 3.27Å; T348-V351 WeakPolarHBondContact OG1-CB 3.49Å; T348-V351 VanDerWaalsContact OG1-CG2 3.25Å; T348-V351 WeakPolarHBondContact OG1-CG2 3.42Å; T348-V351 PolarHBondContact OG1-N 3.09Å; T348-K352 PolarHBondContact O-N 2.65Å; T348-L491 HydrophobicContact CG2-CB 4.22Å; T348-N492 WeakPolarHBondContact CG2-O 3.49Å
349P88.9Confident87.6Confident52 Ų5226 Ų2634%0.33813%0.129SC..Hα-helixtrans-56-37.5173.2-26.835000113.5K353 K493 E496P349-K353 WeakPolarHBondContact O-CG 3.44Å; P349-K353 PolarHBondContact O-N 3.15Å; P349-K353 VanDerWaalsContact O-N 3.11Å; P349-K493 WeakPolarHBondContact CD-O 3.18Å; P349-E496 HydrophobicContact CB-CG 4.45Å; P349-E496 HydrophobicContact CG-CG 4.5Å
350I88.3Confident87.4Confident8 Ų833.9 Ų33.94%0.04116%0.159CC..Hα-helixtrans-71.6-41.4177.6-169.557.6000112.4T348 K352 K353 M354 L491 S495 L498 L557T348-I350 VanDerWaalsContact C-N 3.26Å; T348-I350 PolarHBondContact O-N 3.06Å; T348-I350 WeakPolarHBondContact OG1-CG2 3.48Å; I350-K352 VanDerWaalsContact C-N 3.33Å; I350-K352 PolarHBondContact O-N 3.48Å; I350-K353 HydrophobicContact CD1-CD 4.37Å; I350-K353 WeakPolarHBondContact O-CB 3.42Å; I350-K353 PolarHBondContact O-N 3.27Å; I350-M354 WeakPolarHBondContact O-CG 3.39Å; I350-M354 PolarHBondContact O-N 3.31Å; I350-L491 HydrophobicContact CG2-CD1 3.86Å; I350-L491 HydrophobicContact CG2-CD2 4.3Å; I350-S495 WeakPolarHBondContact CG2-O 3.37Å; I350-S495 PolarHBondContact N-O 3.09Å; I350-L498 HydrophobicContact CG1-CD2 4.46Å; I350-L498 HydrophobicContact CG1-CG 4.22Å; I350-L557 HydrophobicContact CD1-CD1 4.12Å; I350-L557 HydrophobicContact CD1-CD2 4.42Å
351V88.2Confident87.2Confident0 Ų037.6 Ų37.60%017%0.173CC..Hα-helixtrans-65.7-35.6175.1167.40000111.4V344 T348 M354 I355 F488 L491V344-V351 HydrophobicContact CB-CG1 4.38Å; V344-V351 HydrophobicContact CG1-CG1 3.56Å; T348-V351 PolarHBondContact O-N 3.08Å; T348-V351 VanDerWaalsContact OG1-CB 3.27Å; T348-V351 WeakPolarHBondContact OG1-CB 3.49Å; T348-V351 VanDerWaalsContact OG1-CG2 3.25Å; T348-V351 WeakPolarHBondContact OG1-CG2 3.42Å; T348-V351 PolarHBondContact OG1-N 3.09Å; V351-M354 WeakPolarHBondContact O-CB 3.39Å; V351-M354 PolarHBondContact O-N 3.28Å; V351-I355 HydrophobicContact CG1-CD1 3.72Å; V351-I355 HydrophobicContact CG1-CG1 4.42Å; V351-I355 WeakPolarHBondContact O-CG1 3.35Å; V351-I355 PolarHBondContact O-N 3.48Å; V351-F488 HydrophobicContact CG2-CD2 3.8Å; V351-F488 HydrophobicContact CG2-CE2 4.01Å; V351-L491 HydrophobicContact CG2-CD1 3.83Å
352K88Confident86.8Confident109 Ų10938 Ų3847%0.47418%0.176SC..Hα-helixtrans-61.6-48.9171.7-172.6179.4176.4-175.30111.3T348 I350 M354 I355 D356 M462T348-K352 PolarHBondContact O-N 2.65Å; I350-K352 VanDerWaalsContact C-N 3.33Å; I350-K352 PolarHBondContact O-N 3.48Å; K352-M354 PolarHBondContact O-N 3.31Å; K352-I355 PolarHBondContact O-N 3.43Å; K352-I355 VanDerWaalsContact O-N 3.14Å; K352-D356 PolarHBondContact O-N 3.46Å; K352-M462 HydrophobicContact CB-CE 4.31Å; K352-M462 HydrophobicContact CB-SD 3.86Å; K352-M462 HydrophobicContact CD-CE 4.32Å; K352-M462 HydrophobicContact CG-CE 3.99Å; K352-M462 HydrophobicContact CG-SD 4.21Å
353K86.1Confident86.2Confident108 Ų10839.9 Ų39.947%0.4719%0.186SC..Hα-helixtrans-56.8-36.6174.3-70.4168.2-175.9172.40112.2P349 I350 K357P349-K353 WeakPolarHBondContact O-CG 3.44Å; P349-K353 PolarHBondContact O-N 3.15Å; P349-K353 VanDerWaalsContact O-N 3.11Å; I350-K353 HydrophobicContact CD1-CD 4.37Å; I350-K353 WeakPolarHBondContact O-CB 3.42Å; I350-K353 PolarHBondContact O-N 3.27Å; K353-K357 WeakPolarHBondContact O-CG 3.31Å; K353-K357 PolarHBondContact O-N 3.12Å
354M87.6Confident85.5Confident0 Ų040.5 Ų40.50%019%0.19CC..Hα-helixtrans-66.1-49.2173.5-71174.4168.200112.1I350 V351 K352 D356 K357 W358 F488 L498 I554 L557I350-M354 WeakPolarHBondContact O-CG 3.39Å; I350-M354 PolarHBondContact O-N 3.31Å; V351-M354 WeakPolarHBondContact O-CB 3.39Å; V351-M354 PolarHBondContact O-N 3.28Å; K352-M354 PolarHBondContact O-N 3.31Å; M354-D356 VanDerWaalsContact C-N 3.33Å; M354-D356 PolarHBondContact O-N 3.29Å; M354-K357 CarbonylContact O-C 3.53Å; M354-K357 WeakPolarHBondContact O-CA 3.27Å; M354-K357 WeakPolarHBondContact O-CB 3.35Å; M354-K357 PolarHBondContact O-N 2.98Å; M354-W358 HydrophobicContact CB-CD2 4.34Å; M354-W358 HydrophobicContact CB-CE3 4.38Å; M354-W358 HydrophobicContact CB-CH2 4.03Å; M354-W358 HydrophobicContact CB-CZ2 3.98Å; M354-W358 HydrophobicContact CB-CZ3 4.24Å; M354-W358 HydrophobicContact CG-CZ2 4.44Å; M354-W358 PolarHBondContact O-N 3.46Å; M354-W358 HydrophobicContact SD-CH2 4.14Å; M354-W358 HydrophobicContact SD-CZ2 4.16Å; M354-F488 HydrophobicContact CE-CE1 4.41Å; M354-F488 HydrophobicContact CE-CZ 4.35Å; M354-F488 HydrophobicContact SD-CE1 4.36Å; M354-F488 HydrophobicContact SD-CE2 4.2Å; M354-F488 HydrophobicContact SD-CZ 3.74Å; M354-L498 HydrophobicContact CE-CD1 3.71Å; M354-L498 HydrophobicContact CE-CD2 3.59Å; M354-L498 HydrophobicContact CE-CG 4.05Å; M354-I554 HydrophobicContact CE-CG1 4.25Å; M354-L557 HydrophobicContact CE-CD1 3.74Å; M354-L557 HydrophobicContact CG-CD1 4.07Å
355I87.2Confident84.8Confident7 Ų741 Ų414%0.03619%0.193CC..Hα-helixtrans-64.1-38.6-178.3-71.6164.9000111.6V344 V351 K352 K357 W358 N359 F460 M462V344-I355 HydrophobicContact CB-CD1 3.85Å; V344-I355 HydrophobicContact CG1-CD1 4.12Å; V344-I355 HydrophobicContact CG2-CD1 3.91Å; V344-I355 HydrophobicContact CG2-CG1 4.26Å; V351-I355 HydrophobicContact CG1-CD1 3.72Å; V351-I355 HydrophobicContact CG1-CG1 4.42Å; V351-I355 WeakPolarHBondContact O-CG1 3.35Å; V351-I355 PolarHBondContact O-N 3.48Å; K352-I355 PolarHBondContact O-N 3.43Å; K352-I355 VanDerWaalsContact O-N 3.14Å; I355-K357 VanDerWaalsContact C-N 3.27Å; I355-K357 PolarHBondContact O-N 3.42Å; I355-W358 HydrophobicContact CB-CE3 4.43Å; I355-W358 HydrophobicContact CG1-CE3 3.68Å; I355-W358 HydrophobicContact CG1-CZ3 3.8Å; I355-W358 PolarHBondContact O-N 2.84Å; I355-N359 WeakPolarHBondContact CG2-ND2 3.25Å; I355-N359 WeakPolarHBondContact O-CB 3.37Å; I355-N359 PolarHBondContact O-N 3.16Å; I355-N359 PolarHBondContact O-ND2 3.22Å; I355-F460 HydrophobicContact CG1-CB 4.41Å; I355-F460 HydrophobicContact CG2-CB 3.8Å; I355-M462 HydrophobicContact CD1-CG 3.3Å; I355-M462 HydrophobicContact CD1-SD 4.21Å
356D85.7Confident84.2Confident75 Ų7542.8 Ų42.840%0.40120%0.201SC..Hα-helixtrans-62.8-34.7174.1-66.5-23.9000111.3K352 M354 R360K352-D356 PolarHBondContact O-N 3.46Å; M354-D356 VanDerWaalsContact C-N 3.33Å; M354-D356 PolarHBondContact O-N 3.29Å; D356-R360 WeakPolarHBondContact O-CD 3.36Å; D356-R360 VanDerWaalsContact O-CG 3.24Å; D356-R360 WeakPolarHBondContact O-CG 3.28Å; D356-R360 PolarHBondContact O-N 3.49Å
357K83Confident83.5Confident75 Ų7543.3 Ų43.333%0.32620%0.203SC..Hα-helixtrans-74.6-37.8171.3-69.8-174.2-173.1-176.80113.5K353 M354 I355 R360 R361K353-K357 WeakPolarHBondContact O-CG 3.31Å; K353-K357 PolarHBondContact O-N 3.12Å; M354-K357 CarbonylContact O-C 3.53Å; M354-K357 WeakPolarHBondContact O-CA 3.27Å; M354-K357 WeakPolarHBondContact O-CB 3.35Å; M354-K357 PolarHBondContact O-N 2.98Å; I355-K357 VanDerWaalsContact C-N 3.27Å; I355-K357 PolarHBondContact O-N 3.42Å; K357-R360 PolarHBondContact O-N 3.45Å; K357-R361 PolarHBondContact O-N 3.47Å; K357-R361 VanDerWaalsContact O-N 3.16Å
358W85.9Confident83.1Confident2 Ų245.2 Ų45.21%0.00821%0.207CC..Hα-helixtrans-69.9-40.3179.8-68.1-31.6000112.4V344 M354 I355 R360 R361 F460 I486 F488 I549 I550 Q553V344-W358 HydrophobicContact CG1-CZ3 4.18Å; V344-W358 HydrophobicContact CG2-CZ3 4.24Å; M354-W358 HydrophobicContact CB-CD2 4.34Å; M354-W358 HydrophobicContact CB-CE3 4.38Å; M354-W358 HydrophobicContact CB-CH2 4.03Å; M354-W358 HydrophobicContact CB-CZ2 3.98Å; M354-W358 HydrophobicContact CB-CZ3 4.24Å; M354-W358 HydrophobicContact CG-CZ2 4.44Å; M354-W358 PolarHBondContact O-N 3.46Å; M354-W358 HydrophobicContact SD-CH2 4.14Å; M354-W358 HydrophobicContact SD-CZ2 4.16Å; I355-W358 HydrophobicContact CB-CE3 4.43Å; I355-W358 HydrophobicContact CG1-CE3 3.68Å; I355-W358 HydrophobicContact CG1-CZ3 3.8Å; I355-W358 PolarHBondContact O-N 2.84Å; W358-R360 VanDerWaalsContact C-N 3.33Å; W358-R361 PolarHBondContact O-N 3.3Å; W358-F460 HydrophobicContact CB-CD2 4.16Å; W358-F460 HydrophobicContact CB-CE1 4.28Å; W358-F460 HydrophobicContact CB-CE2 3.76Å; W358-F460 HydrophobicContact CB-CZ 3.83Å; W358-F460 HydrophobicContact CD2-CE1 4.12Å; W358-F460 HydrophobicContact CD2-CZ 4.41Å; W358-F460 AromaticContact CE3-CD1 3.72Å; W358-F460 HydrophobicContact CE3-CD1 3.72Å; W358-F460 AromaticContact CE3-CE1 3.63Å; W358-F460 HydrophobicContact CE3-CE1 3.63Å; W358-F460 HydrophobicContact CE3-CG 4.46Å; W358-F460 HydrophobicContact CE3-CZ 4.31Å; W358-F460 HydrophobicContact CG-CE1 4.43Å; W358-F460 HydrophobicContact CG-CZ 4.25Å; W358-F460 HydrophobicContact CZ3-CD1 4.31Å; W358-F460 HydrophobicContact CZ3-CE1 4.29Å; W358-I486 HydrophobicContact CZ3-CD1 4.41Å; W358-F488 HydrophobicContact CH2-CE2 4.17Å; W358-F488 HydrophobicContact CH2-CZ 4.02Å; W358-I549 HydrophobicContact CG-CG2 4.04Å; W358-I549 PolarHBondContact NE1-O 3.28Å; W358-I550 HydrophobicContact CH2-CG1 4.24Å; W358-I550 HydrophobicContact CZ2-CB 4.25Å; W358-I550 HydrophobicContact CZ2-CG1 3.75Å; W358-I550 HydrophobicContact CZ2-CG2 4.16Å; W358-Q553 VanDerWaalsContact NE1-CG 3.3Å
359N83.3Confident82.6Confident25 Ų2547.7 Ų47.713%0.13422%0.216CC..Hα-helixtrans-59.9-45.8170.9-74.3-40.3000110.3I355 R361 L362 D363 Y458I355-N359 WeakPolarHBondContact CG2-ND2 3.25Å; I355-N359 WeakPolarHBondContact O-CB 3.37Å; I355-N359 PolarHBondContact O-N 3.16Å; I355-N359 PolarHBondContact O-ND2 3.22Å; N359-R361 PolarHBondContact O-N 3.11Å; N359-R361 VanDerWaalsContact O-N 3.16Å; N359-L362 WeakPolarHBondContact O-CA 3.25Å; N359-L362 WeakPolarHBondContact O-CB 3.34Å; N359-L362 PolarHBondContact O-N 3.09Å; N359-D363 PolarHBondContact O-N 2.97Å; N359-Y458 HydrophobicContact CB-CD1 4.28Å; N359-Y458 HydrophobicContact CB-CE1 4.31Å
360R80.6Confident82Confident178 Ų17847 Ų4767%0.67221%0.212SC*.Hα-helixtrans-59.8-24.7176.6-76.1173.8-174.4-171.22115D356 K357 W358 L362 D363D356-R360 WeakPolarHBondContact O-CD 3.36Å; D356-R360 VanDerWaalsContact O-CG 3.24Å; D356-R360 WeakPolarHBondContact O-CG 3.28Å; D356-R360 PolarHBondContact O-N 3.49Å; K357-R360 PolarHBondContact O-N 3.45Å; W358-R360 VanDerWaalsContact C-N 3.33Å; R360-L362 PolarHBondContact O-N 2.75Å; R360-D363 WeakPolarHBondContact CA-OD2 3.29Å; R360-D363 PolarHBondContact O-N 3.43Å
361R78.8Confident81.2Confident79 Ų7948.6 Ų48.630%0.29822%0.221SC..THydrogen-bonded Turntrans-72.2-14172.5-80.3-66-174.993.74.1113.6L6 K357 W358 N359 E552L6-R361 WeakPolarHBondContact CD1-O 3.5Å; K357-R361 PolarHBondContact O-N 3.47Å; K357-R361 VanDerWaalsContact O-N 3.16Å; W358-R361 PolarHBondContact O-N 3.3Å; N359-R361 PolarHBondContact O-N 3.11Å; N359-R361 VanDerWaalsContact O-N 3.16Å; R361-E552 IonicContact CZ-OE1 2.72Å; R361-E552 IonicContact CZ-OE2 3.86Å; R361-E552 IonicContact NH1-OE1 3.23Å; R361-E552 PolarHBondContact NH1-OE1 3.48Å; R361-E552 IonicContact NH1-OE2 3.33Å; R361-E552 PolarHBondContact NH1-OE2 2.99Å; R361-E552 VanDerWaalsContact NH2-CD 3.34Å; R361-E552 IonicContact NH2-OE1 3.1Å; R361-E552 PolarHBondContact NH2-OE1 3.12Å; R361-E552 IonicContact NH2-OE2 2.74Å; R361-E552 PolarHBondContact NH2-OE2 2.68Å
362L80.2Confident80.6Confident24 Ų2451 Ų5113%0.12623%0.231CC..THydrogen-bonded Turntrans-96.4-12.7174.6-59.6173.7000113L6 N359 R360 P364 L365 E366 S457 F460L6-L362 HydrophobicContact CD1-CD2 4.09Å; N359-L362 WeakPolarHBondContact O-CA 3.25Å; N359-L362 WeakPolarHBondContact O-CB 3.34Å; N359-L362 PolarHBondContact O-N 3.09Å; R360-L362 PolarHBondContact O-N 2.75Å; L362-P364 VanDerWaalsContact C-CD 3.46Å; L362-L365 WeakPolarHBondContact O-CB 3.26Å; L362-L365 PolarHBondContact O-N 3.21Å; L362-E366 PolarHBondContact O-N 2.75Å; L362-S457 WeakPolarHBondContact CD1-O 3.4Å; L362-F460 HydrophobicContact CD1-CE2 4.3Å
363D79Confident80Confident45 Ų4547 Ų4724%0.24122%0.215CC..Hα-helixtrans-52.6-43.8179.5-65.3-11.6000113.4N359 R360 L365 E366 D367N359-D363 PolarHBondContact O-N 2.97Å; R360-D363 WeakPolarHBondContact CA-OD2 3.29Å; R360-D363 PolarHBondContact O-N 3.43Å; D363-L365 PolarHBondContact O-N 3.25Å; D363-L365 VanDerWaalsContact O-N 3.07Å; D363-E366 PolarHBondContact O-N 2.96Å; D363-D367 WeakPolarHBondContact O-CB 3.46Å; D363-D367 PolarHBondContact O-N 2.84Å
364P75.9Confident79.2Confident13 Ų1342.6 Ų42.68%0.08420%0.196CC..Hα-helixtrans-57.1-28.6177.2-24.433.1000114.6F7 L362 F368 N1187 I1188 D1191F7-P364 HydrophobicContact CE2-CB 4.22Å; L362-P364 VanDerWaalsContact C-CD 3.46Å; P364-F368 PolarHBondContact O-N 3.2Å; P364-N1187 HydrophobicContact CB-CB 4.27Å; P364-N1187 HydrophobicContact CG-CB 4.11Å; P364-I1188 WeakPolarHBondContact O-CG1 3.46Å; P364-D1191 HydrophobicContact CB-CB 4.08Å; P364-D1191 HydrophobicContact CG-CB 4.2Å
365L78.5Confident78.3Confident11 Ų1144.7 Ų44.76%0.05821%0.21CC..Hα-helixtrans-84.7-31.7178.4-174.958.6000111.6L6 L10 L362 D363 R369 F455L6-L365 HydrophobicContact CD1-CB 3.97Å; L6-L365 HydrophobicContact CD1-CD2 4.47Å; L10-L365 HydrophobicContact CD1-CD1 3.88Å; L10-L365 HydrophobicContact CD1-CD2 4.2Å; L362-L365 WeakPolarHBondContact O-CB 3.26Å; L362-L365 PolarHBondContact O-N 3.21Å; D363-L365 PolarHBondContact O-N 3.25Å; D363-L365 VanDerWaalsContact O-N 3.07Å; L365-R369 WeakPolarHBondContact O-CB 3.32Å; L365-R369 PolarHBondContact O-N 3.21Å; L365-F455 HydrophobicContact CD2-CD1 4.26Å; L365-F455 HydrophobicContact CD2-CE1 3.63Å; L365-F455 HydrophobicContact CD2-CE2 3.91Å; L365-F455 HydrophobicContact CD2-CZ 3.44Å; L365-F455 VanDerWaalsContact CD2-CZ 3.44Å; L365-F455 HydrophobicContact CG-CE1 4.3Å
366E78.2Confident77.6Confident41 Ų4146 Ų4619%0.19222%0.216CC..Hα-helixtrans-70.7-40.2172-177.160.8-15800111.9L362 D363 F368 R369 S370 S457L362-E366 PolarHBondContact O-N 2.75Å; D363-E366 PolarHBondContact O-N 2.96Å; E366-F368 VanDerWaalsContact C-N 3.35Å; E366-F368 PolarHBondContact O-N 3.27Å; E366-R369 PolarHBondContact O-N 3.4Å; E366-R369 IonicContact OE1-CZ 3.62Å; E366-R369 IonicContact OE1-NE 3.65Å; E366-R369 PolarHBondContact OE1-NE 3.38Å; E366-R369 IonicContact OE1-NH2 2.7Å; E366-R369 PolarHBondContact OE1-NH2 2.81Å; E366-R369 IonicContact OE2-CZ 3.56Å; E366-R369 IonicContact OE2-NE 3.96Å; E366-R369 PolarHBondContact OE2-NE 2.73Å; E366-R369 IonicContact OE2-NH2 3.98Å; E366-S370 WeakPolarHBondContact O-CB 3.37Å; E366-S370 PolarHBondContact O-N 3.26Å; E366-S370 PolarHBondContact O-OG 3.42Å; E366-S457 VanDerWaalsContact OE2-CB 3.3Å; E366-S457 WeakPolarHBondContact OE2-CB 3.49Å; E366-S457 PolarHBondContact OE2-OG 3.38Å
367D75.6Confident76.9Confident23 Ų2348.1 Ų48.112%0.12322%0.223CC..Hα-helixtrans-56.3-48.4171.3-78.8-47.3000110.8D363 S370 L371 S1184 N1187 I1188D363-D367 WeakPolarHBondContact O-CB 3.46Å; D363-D367 PolarHBondContact O-N 2.84Å; D367-S370 PolarHBondContact O-OG 3.31Å; D367-L371 VanDerWaalsContact O-CB 3.27Å; D367-L371 WeakPolarHBondContact O-CB 3.34Å; D367-L371 PolarHBondContact O-N 3.1Å; D367-L371 VanDerWaalsContact O-N 3.08Å; D367-S1184 VanDerWaalsContact CG-CA 3.44Å; D367-S1184 VanDerWaalsContact CG-CB 3.48Å; D367-S1184 WeakPolarHBondContact OD1-CA 3.46Å; D367-S1184 WeakPolarHBondContact OD1-CB 3.24Å; D367-S1184 PolarHBondContact OD1-OG 2.98Å; D367-N1187 WeakPolarHBondContact OD2-CB 3.31Å; D367-N1187 PolarHBondContact OD2-ND2 2.87Å; D367-I1188 HydrophobicContact CB-CD1 4.11Å; D367-I1188 HydrophobicContact CB-CG1 4.23Å
368F78.5Confident76.2Confident69 Ų6945 Ų4530%0.30321%0.21SC..Hα-helixtrans-68-42.3176.4179.3-102.4000112.7F7 P364 E366 S370 L371 F372 L452 I1188F7-F368 HydrophobicContact CE1-CB 4.28Å; F7-F368 HydrophobicContact CE1-CD1 4.09Å; F7-F368 HydrophobicContact CE1-CD2 4.34Å; F7-F368 AromaticContact CE1-CG 3.98Å; F7-F368 HydrophobicContact CE1-CG 3.98Å; F7-F368 HydrophobicContact CZ-CB 3.68Å; F7-F368 HydrophobicContact CZ-CD1 4.33Å; F7-F368 HydrophobicContact CZ-CD2 4.36Å; F7-F368 AromaticContact CZ-CG 3.88Å; F7-F368 HydrophobicContact CZ-CG 3.88Å; P364-F368 PolarHBondContact O-N 3.2Å; E366-F368 VanDerWaalsContact C-N 3.35Å; E366-F368 PolarHBondContact O-N 3.27Å; F368-S370 PolarHBondContact O-N 3.21Å; F368-L371 PolarHBondContact O-N 3.25Å; F368-F372 HydrophobicContact CE1-CD2 4.46Å; F368-F372 HydrophobicContact CZ-CD2 4.06Å; F368-F372 WeakPolarHBondContact O-CB 3.41Å; F368-F372 PolarHBondContact O-N 2.87Å; F368-L452 HydrophobicContact CD1-CD1 4.4Å; F368-L452 HydrophobicContact CD1-CD2 4.29Å; F368-L452 HydrophobicContact CE1-CD1 3.91Å; F368-L452 HydrophobicContact CE1-CD2 4.32Å; F368-I1188 HydrophobicContact CB-CD1 3.89Å; F368-I1188 HydrophobicContact CB-CG1 4.2Å; F368-I1188 HydrophobicContact CD2-CD1 4.49Å
369R77.7Confident75.4Confident58 Ų5846.3 Ų46.322%0.21922%0.218CC..Hα-helixtrans-56.8-49.2177.1-169.1-170.178.375.84.6110.9L365 E366 M373 L452L365-R369 WeakPolarHBondContact O-CB 3.32Å; L365-R369 PolarHBondContact O-N 3.21Å; E366-R369 PolarHBondContact O-N 3.4Å; E366-R369 IonicContact OE1-CZ 3.62Å; E366-R369 IonicContact OE1-NE 3.65Å; E366-R369 PolarHBondContact OE1-NE 3.38Å; E366-R369 IonicContact OE1-NH2 2.7Å; E366-R369 PolarHBondContact OE1-NH2 2.81Å; E366-R369 IonicContact OE2-CZ 3.56Å; E366-R369 IonicContact OE2-NE 3.96Å; E366-R369 PolarHBondContact OE2-NE 2.73Å; E366-R369 IonicContact OE2-NH2 3.98Å; R369-M373 WeakPolarHBondContact O-CB 3.27Å; R369-M373 WeakPolarHBondContact O-CG 3.48Å; R369-M373 PolarHBondContact O-N 2.97Å; R369-L452 VanDerWaalsContact CD-O 3.25Å; R369-L452 WeakPolarHBondContact CD-O 3.17Å; R369-L452 HydrophobicContact CG-CB 4.16Å; R369-L452 WeakPolarHBondContact CG-O 3.44Å
370S74.9Confident74.6Confident37 Ų3750.1 Ų50.126%0.25923%0.234SC..Hα-helixtrans-67.4-43.8-179.561.40000112.6E366 D367 F368 F372 F374E366-S370 WeakPolarHBondContact O-CB 3.37Å; E366-S370 PolarHBondContact O-N 3.26Å; E366-S370 PolarHBondContact O-OG 3.42Å; D367-S370 PolarHBondContact O-OG 3.31Å; F368-S370 PolarHBondContact O-N 3.21Å; S370-F372 PolarHBondContact O-N 2.86Å; S370-F374 WeakPolarHBondContact O-CB 3.14Å; S370-F374 PolarHBondContact O-N 3.18Å; S370-F374 VanDerWaalsContact O-N 3.11Å
371L72Confident73.9Confident41 Ų4143.4 Ų43.422%0.21521%0.211CC..Hα-helixtrans-60.9-43.9176-177.465.7000112.4D367 F368 S375 F1180D367-L371 VanDerWaalsContact O-CB 3.27Å; D367-L371 WeakPolarHBondContact O-CB 3.34Å; D367-L371 PolarHBondContact O-N 3.1Å; D367-L371 VanDerWaalsContact O-N 3.08Å; F368-L371 PolarHBondContact O-N 3.25Å; L371-S375 WeakPolarHBondContact O-CB 3.47Å; L371-S375 PolarHBondContact O-N 3.16Å; L371-S375 PolarHBondContact O-OG 2.85Å; L371-F1180 HydrophobicContact CD1-CD2 3.96Å; L371-F1180 HydrophobicContact CD1-CE2 3.63Å; L371-F1180 HydrophobicContact CD1-CZ 4.03Å
372F75.8Confident73.4Confident51 Ų5144.3 Ų44.322%0.22422%0.215CC..Hα-helixtrans-68.2-49.6-179.4-175.7-80.9000111.9F368 S370 F374 S375 F376 I445 L452F368-F372 HydrophobicContact CE1-CD2 4.46Å; F368-F372 HydrophobicContact CZ-CD2 4.06Å; F368-F372 WeakPolarHBondContact O-CB 3.41Å; F368-F372 PolarHBondContact O-N 2.87Å; S370-F372 PolarHBondContact O-N 2.86Å; F372-F374 VanDerWaalsContact C-N 3.33Å; F372-F374 PolarHBondContact O-N 2.81Å; F372-S375 PolarHBondContact O-N 2.73Å; F372-S375 VanDerWaalsContact O-N 3.16Å; F372-F376 PolarHBondContact O-N 3.48Å; F372-I445 HydrophobicContact CE1-CG2 4.02Å; F372-I445 HydrophobicContact CE2-CG2 4.25Å; F372-I445 HydrophobicContact CZ-CG2 3.45Å; F372-I445 VanDerWaalsContact CZ-CG2 3.45Å; F372-L452 HydrophobicContact CB-CD1 4.03Å; F372-L452 HydrophobicContact CD1-CD1 3.51Å; F372-L452 HydrophobicContact CD2-CD1 4.06Å; F372-L452 HydrophobicContact CE1-CD1 3.87Å; F372-L452 HydrophobicContact CE2-CD1 4.37Å; F372-L452 HydrophobicContact CG-CD1 3.6Å; F372-L452 HydrophobicContact CZ-CD1 4.26Å
373M75.1Confident72.8Confident26 Ų2646.2 Ų46.213%0.12823%0.23CC..Hα-helixtrans-56.8-47.7178.7-67.4-78.8-62.700110.8R369 S375 F376 E377 Y449 R453R369-M373 WeakPolarHBondContact O-CB 3.27Å; R369-M373 WeakPolarHBondContact O-CG 3.48Å; R369-M373 PolarHBondContact O-N 2.97Å; M373-S375 PolarHBondContact O-N 2.82Å; M373-F376 PolarHBondContact O-N 2.8Å; M373-E377 WeakPolarHBondContact O-CG 3.06Å; M373-E377 PolarHBondContact O-N 2.62Å; M373-Y449 HydrophobicContact CB-CE2 4.41Å; M373-Y449 HydrophobicContact CE-CD2 4.04Å; M373-Y449 HydrophobicContact CE-CE1 4.34Å; M373-Y449 HydrophobicContact CE-CE2 3.32Å; M373-Y449 VanDerWaalsContact CE-CZ 3.49Å; M373-Y449 HydrophobicContact CG-CE2 4.48Å; M373-Y449 HydrophobicContact SD-CD2 3.42Å; M373-Y449 WeakPolarHBondContact SD-CD2 3.19Å; M373-Y449 HydrophobicContact SD-CE2 3.36Å; M373-Y449 WeakPolarHBondContact SD-CE2 3.17Å; M373-Y449 HydrophobicContact SD-CG 4.12Å; M373-R453 HydrophobicContact CE-CB 3.94Å; M373-R453 HydrophobicContact CE-CG 4.09Å; M373-R453 HydrophobicContact SD-CB 3.97Å
374F70.5Confident72.2Confident15 Ų1549 Ų497%0.06624%0.243CC..Hα-helixtrans-62.6-40.4176.9172.6-97.3000113.2S370 F372 N378 L1168 V1175 L1177 P1178S370-F374 WeakPolarHBondContact O-CB 3.14Å; S370-F374 PolarHBondContact O-N 3.18Å; S370-F374 VanDerWaalsContact O-N 3.11Å; F372-F374 VanDerWaalsContact C-N 3.33Å; F372-F374 PolarHBondContact O-N 2.81Å; F374-N378 WeakPolarHBondContact CD2-ND2 3.45Å; F374-N378 WeakPolarHBondContact CE2-ND2 3.41Å; F374-N378 PolarHBondContact O-N 3.06Å; F374-N378 PolarHBondContact O-ND2 2.99Å; F374-L1168 HydrophobicContact CZ-CD1 4.14Å; F374-V1175 HydrophobicContact CE2-CG1 3.72Å; F374-L1177 HydrophobicContact CE1-CD2 4.04Å; F374-L1177 HydrophobicContact CE1-CG 4.42Å; F374-L1177 HydrophobicContact CE2-CB 4.33Å; F374-L1177 HydrophobicContact CE2-CG 4.04Å; F374-L1177 HydrophobicContact CZ-CB 4.13Å; F374-L1177 HydrophobicContact CZ-CD2 3.6Å; F374-L1177 HydrophobicContact CZ-CG 3.59Å; F374-P1178 HydrophobicContact CB-CG 3.54Å; F374-P1178 HydrophobicContact CD1-CG 4.13Å; F374-P1178 HydrophobicContact CD2-CG 4.02Å; F374-P1178 HydrophobicContact CG-CG 3.61Å
375S68.4Low71.9Confident43 Ų4348.9 Ų48.930%0.30124%0.242SC..Hα-helixtrans-64.1-42178.3-61.80000111.4L371 F372 M373 N378 V379L371-S375 WeakPolarHBondContact O-CB 3.47Å; L371-S375 PolarHBondContact O-N 3.16Å; L371-S375 PolarHBondContact O-OG 2.85Å; F372-S375 PolarHBondContact O-N 2.73Å; F372-S375 VanDerWaalsContact O-N 3.16Å; M373-S375 PolarHBondContact O-N 2.82Å; S375-N378 PolarHBondContact O-N 2.84Å; S375-V379 WeakPolarHBondContact O-CG2 3.22Å; S375-V379 PolarHBondContact O-N 3.39Å
376F72.9Confident71.6Confident35 Ų3551.8 Ų51.815%0.15425%0.254CS..Hα-helixtrans-66.3-48.9177.6-175.2-101.3000112.5F372 M373 N378 V379 A442 I445 Y449F372-F376 PolarHBondContact O-N 3.48Å; M373-F376 PolarHBondContact O-N 2.8Å; F376-N378 PolarHBondContact O-N 2.63Å; F376-N378 VanDerWaalsContact O-N 3.11Å; F376-V379 WeakPolarHBondContact O-CG2 3.36Å; F376-V379 PolarHBondContact O-N 2.68Å; F376-A442 WeakPolarHBondContact CE2-O 3.49Å; F376-A442 WeakPolarHBondContact CZ-O 3.09Å; F376-I445 HydrophobicContact CD2-CB 3.95Å; F376-I445 HydrophobicContact CD2-CG2 3.56Å; F376-I445 HydrophobicContact CE2-CB 3.81Å; F376-I445 HydrophobicContact CE2-CG2 3.91Å; F376-Y449 HydrophobicContact CB-CD2 3.99Å; F376-Y449 HydrophobicContact CD1-CD1 4.31Å; F376-Y449 AromaticContact CD1-CD2 3.25Å; F376-Y449 HydrophobicContact CD1-CD2 3.25Å; F376-Y449 AromaticContact CD1-CE2 3.62Å; F376-Y449 HydrophobicContact CD1-CE2 3.62Å; F376-Y449 AromaticContact CD1-CG 3.65Å; F376-Y449 HydrophobicContact CD1-CG 3.65Å; F376-Y449 HydrophobicContact CE1-CD1 4.13Å; F376-Y449 AromaticContact CE1-CD2 3.9Å; F376-Y449 HydrophobicContact CE1-CD2 3.9Å; F376-Y449 HydrophobicContact CE1-CE2 4.29Å; F376-Y449 AromaticContact CE1-CG 3.82Å; F376-Y449 HydrophobicContact CE1-CG 3.82Å; F376-Y449 AromaticContact CG-CD2 3.81Å; F376-Y449 HydrophobicContact CG-CD2 3.81Å; F376-Y449 HydrophobicContact CG-CE2 4.45Å; F376-Y449 HydrophobicContact CG-CG 4.28Å
377E69.9Low71.3Confident120 Ų12053.2 Ų53.256%0.56126%0.261SS*.Hα-helixtrans-59.5-24.8178.5-73.3-175.3162.400113.2M373 Y449M373-E377 WeakPolarHBondContact O-CG 3.06Å; M373-E377 PolarHBondContact O-N 2.62Å; E377-Y449 HydrophobicContact CG-CE2 4.32Å
378N68.8Low71.2Confident8 Ų858.4 Ų58.44%0.04328%0.284CS..THydrogen-bonded Turntrans-100.80.4-177.9-74-79.9000115.4F374 S375 F376 K380 N381 Y382 L1168F374-N378 WeakPolarHBondContact CD2-ND2 3.45Å; F374-N378 WeakPolarHBondContact CE2-ND2 3.41Å; F374-N378 PolarHBondContact O-N 3.06Å; F374-N378 PolarHBondContact O-ND2 2.99Å; S375-N378 PolarHBondContact O-N 2.84Å; F376-N378 PolarHBondContact O-N 2.63Å; F376-N378 VanDerWaalsContact O-N 3.11Å; N378-K380 PolarHBondContact O-N 3.13Å; N378-K380 VanDerWaalsContact O-N 3.16Å; N378-N381 WeakPolarHBondContact O-CB 3.34Å; N378-N381 PolarHBondContact O-N 3.24Å; N378-N381 PolarHBondContact OD1-ND2 2.73Å; N378-Y382 HydrophobicContact CB-CE1 4.42Å; N378-Y382 HydrophobicContact CB-CE2 4.06Å; N378-Y382 WeakPolarHBondContact O-CD2 3.46Å; N378-Y382 PolarHBondContact O-N 3.16Å; N378-L1168 HydrophobicContact CB-CD2 4.26Å
379V68.5Low71Confident30 Ų3055.1 Ų55.118%0.18227%0.27CS..Hα-helixtrans-51.6-44-179.2175.30000111.9S375 F376 N381 Y382 Y438 F441S375-V379 WeakPolarHBondContact O-CG2 3.22Å; S375-V379 PolarHBondContact O-N 3.39Å; F376-V379 WeakPolarHBondContact O-CG2 3.36Å; F376-V379 PolarHBondContact O-N 2.68Å; V379-N381 VanDerWaalsContact C-N 3.26Å; V379-N381 PolarHBondContact O-N 2.7Å; V379-Y382 PolarHBondContact O-N 3.32Å; V379-Y438 HydrophobicContact CB-CE2 4.03Å; V379-Y438 HydrophobicContact CG1-CD2 3.94Å; V379-Y438 HydrophobicContact CG1-CE2 3.83Å; V379-F441 HydrophobicContact CG1-CD1 3.82Å; V379-F441 HydrophobicContact CG1-CE1 4.01Å; V379-F441 HydrophobicContact CG2-CD1 4.36Å; V379-F441 HydrophobicContact CG2-CE1 3.92Å
380K66.3Low71Confident106 Ų10655.9 Ų55.946%0.46128%0.275SS..Hα-helixtrans-66.9-27.1-179.5-159.4164.2-175159.30113.4N378 S383 Y438N378-K380 PolarHBondContact O-N 3.13Å; N378-K380 VanDerWaalsContact O-N 3.16Å; K380-S383 PolarHBondContact O-OG 2.85Å; K380-Y438 HydrophobicContact CB-CD2 4.04Å; K380-Y438 HydrophobicContact CB-CE2 3.47Å; K380-Y438 VanDerWaalsContact CB-CE2 3.47Å; K380-Y438 HydrophobicContact CD-CD1 4.42Å; K380-Y438 HydrophobicContact CD-CE1 4.04Å; K380-Y438 HydrophobicContact CD-CE2 4.28Å; K380-Y438 HydrophobicContact CG-CD2 4.18Å; K380-Y438 HydrophobicContact CG-CE2 3.98Å
381N67.3Low71.2Confident36 Ų3655 Ų5519%0.19327%0.267CS..Hα-helixtrans-78.3-36.2-178.1-60-25.6000110.7N378 V379 S383 M384 I385 L1168N378-N381 WeakPolarHBondContact O-CB 3.34Å; N378-N381 PolarHBondContact O-N 3.24Å; N378-N381 PolarHBondContact OD1-ND2 2.73Å; V379-N381 VanDerWaalsContact C-N 3.26Å; V379-N381 PolarHBondContact O-N 2.7Å; N381-S383 VanDerWaalsContact C-N 3.34Å; N381-S383 PolarHBondContact O-N 3.42Å; N381-M384 PolarHBondContact O-N 3.37Å; N381-I385 HydrophobicContact CB-CD1 4.27Å; N381-I385 WeakPolarHBondContact O-CB 3.36Å; N381-I385 WeakPolarHBondContact O-CD1 3.46Å; N381-I385 WeakPolarHBondContact O-CG1 3.49Å; N381-I385 PolarHBondContact O-N 3.16Å; N381-L1168 HydrophobicContact CB-CD2 4.29Å
382Y68.3Low71.5Confident98 Ų9855.1 Ų55.138%0.38427%0.266SS..Hα-helixtrans-59.3-38.7-178.6-60.6-49.9000113.7N378 V379 I385 F386 L1168N378-Y382 HydrophobicContact CB-CE1 4.42Å; N378-Y382 HydrophobicContact CB-CE2 4.06Å; N378-Y382 WeakPolarHBondContact O-CD2 3.46Å; N378-Y382 PolarHBondContact O-N 3.16Å; V379-Y382 PolarHBondContact O-N 3.32Å; Y382-I385 PolarHBondContact O-N 3.41Å; Y382-F386 WeakPolarHBondContact O-CB 3.29Å; Y382-F386 PolarHBondContact O-N 3.28Å; Y382-L1168 HydrophobicContact CD1-CD2 4.24Å; Y382-L1168 HydrophobicContact CE1-CD1 4.06Å; Y382-L1168 HydrophobicContact CE1-CD2 3.85Å; Y382-L1168 HydrophobicContact CE1-CG 4.31Å
383S65.8Low71.5Confident64 Ų6458.6 Ų58.645%0.44828%0.281SS..Hα-helixtrans-69.3-41.1178.659.40000112.4K380 N381 F386 E387K380-S383 PolarHBondContact O-OG 2.85Å; N381-S383 VanDerWaalsContact C-N 3.34Å; N381-S383 PolarHBondContact O-N 3.42Å; S383-F386 PolarHBondContact O-N 3.46Å; S383-E387 PolarHBondContact O-N 2.84Å
384M67.8Low71.7Confident104 Ų10457.4 Ų57.451%0.51228%0.275SS..Hα-helixtrans-63.7-41.2172.7-72.5-170.9163.300112.3N381 E387 Q388N381-M384 PolarHBondContact O-N 3.37Å; M384-E387 PolarHBondContact O-N 3.1Å; M384-Q388 PolarHBondContact O-N 3.48Å
385I70.1Confident72Confident11 Ų1158.8 Ų58.86%0.05628%0.283CS..Hα-helixtrans-63.1-44.3177.7-71.7165.8000110.9N381 Y382 E387 Q388 S389 L1166 L1168 L1171N381-I385 HydrophobicContact CB-CD1 4.27Å; N381-I385 WeakPolarHBondContact O-CB 3.36Å; N381-I385 WeakPolarHBondContact O-CD1 3.46Å; N381-I385 WeakPolarHBondContact O-CG1 3.49Å; N381-I385 PolarHBondContact O-N 3.16Å; Y382-I385 PolarHBondContact O-N 3.41Å; I385-E387 PolarHBondContact O-N 3.04Å; I385-Q388 PolarHBondContact O-N 2.93Å; I385-S389 PolarHBondContact O-N 3.07Å; I385-L1166 VanDerWaalsContact CG2-CA 3.49Å; I385-L1166 HydrophobicContact CG2-CB 4.01Å; I385-L1166 HydrophobicContact CG2-CD2 3.72Å; I385-L1166 HydrophobicContact CG2-CG 4.47Å; I385-L1168 HydrophobicContact CD1-CD2 3.63Å; I385-L1168 HydrophobicContact CD1-CG 3.98Å; I385-L1171 HydrophobicContact CD1-CD1 3.89Å; I385-L1171 HydrophobicContact CG1-CD1 3.35Å
386F72.2Confident72.5Confident72 Ų7260.1 Ų60.132%0.31628%0.283SS..Hα-helixtrans-61.9-40.4178.2-176.3-102000112.8Y382 S383 Q388 S389 L391 W433Y382-F386 WeakPolarHBondContact O-CB 3.29Å; Y382-F386 PolarHBondContact O-N 3.28Å; S383-F386 PolarHBondContact O-N 3.46Å; F386-Q388 VanDerWaalsContact C-N 3.28Å; F386-Q388 PolarHBondContact O-N 2.66Å; F386-S389 WeakPolarHBondContact O-CB 3.44Å; F386-S389 PolarHBondContact O-N 3.12Å; F386-S389 PolarHBondContact O-OG 3.43Å; F386-L391 HydrophobicContact CE2-CD2 4.07Å; F386-L391 HydrophobicContact CE2-CG 4.49Å; F386-W433 HydrophobicContact CD1-CH2 4.24Å; F386-W433 HydrophobicContact CD1-CZ2 4.48Å; F386-W433 HydrophobicContact CD1-CZ3 4.32Å; F386-W433 HydrophobicContact CE1-CZ2 4.48Å
387E70.4Confident72.8Confident70 Ų7060.6 Ų60.633%0.32729%0.287SS..Hα-helixtrans-57.8-36.1177.5175.8100.9-99.500112.8S383 M384 I385 K392 W433 K434S383-E387 PolarHBondContact O-N 2.84Å; M384-E387 PolarHBondContact O-N 3.1Å; I385-E387 PolarHBondContact O-N 3.04Å; E387-K392 WeakPolarHBondContact O-CD 3.33Å; E387-K392 IonicContact OE1-NZ 2.98Å; E387-K392 PolarHBondContact OE1-NZ 2.9Å; E387-W433 HydrophobicContact CB-CH2 4.15Å; E387-K434 WeakPolarHBondContact OE1-CE 3.21Å; E387-K434 IonicContact OE1-NZ 3.99Å; E387-K434 PolarHBondContact OE1-NZ 2.97Å; E387-K434 WeakPolarHBondContact OE2-CE 3.43Å; E387-K434 IonicContact OE2-NZ 2.91Å; E387-K434 PolarHBondContact OE2-NZ 2.87Å
388Q73.4Confident73.2Confident132 Ų13257.8 Ų57.862%0.61728%0.276SS*.Hα-helixtrans-85.7-21.8-176.9-62.4-177.812.100113.7M384 I385 F386M384-Q388 PolarHBondContact O-N 3.48Å; I385-Q388 PolarHBondContact O-N 2.93Å; F386-Q388 VanDerWaalsContact C-N 3.28Å; F386-Q388 PolarHBondContact O-N 2.66Å
389S74Confident73.5Confident0 Ų057.7 Ų57.70%028%0.276CS..SBendtrans-57.8153.6-166.770.90000116.9I385 F386 L391 K392I385-S389 PolarHBondContact O-N 3.07Å; F386-S389 WeakPolarHBondContact O-CB 3.44Å; F386-S389 PolarHBondContact O-N 3.12Å; F386-S389 PolarHBondContact O-OG 3.43Å; S389-L391 PolarHBondContact O-N 2.74Å; S389-K392 PolarHBondContact O-N 2.94Å; S389-K392 PolarHBondContact OG-N 3.37Å; S389-K392 VanDerWaalsContact OG-N 3.08Å
390K78.5Confident74Confident75 Ų7560.7 Ų60.733%0.32629%0.288SS..Hα-helixtrans-62-31.6164.4-86.3160.7176.2158.90112.1T72 L76 K392 K393 G394 M1164 E1165T72-K390 HydrophobicContact CG2-CB 4.48Å; L76-K390 HydrophobicContact CD1-CB 4.13Å; L76-K390 HydrophobicContact CD1-CG 4.06Å; K390-K392 PolarHBondContact O-N 3.38Å; K390-K393 PolarHBondContact O-N 3.31Å; K390-G394 PolarHBondContact O-N 3.05Å; K390-M1164 PolarHBondContact N-O 3.06Å; K390-E1165 HydrophobicContact CD-CG 4.07Å; K390-E1165 WeakPolarHBondContact CD-OE2 3.45Å; K390-E1165 VanDerWaalsContact CE-OE1 3.29Å; K390-E1165 WeakPolarHBondContact CE-OE1 3.24Å; K390-E1165 WeakPolarHBondContact CE-OE2 3.47Å; K390-E1165 VanDerWaalsContact CG-OE2 3.29Å; K390-E1165 WeakPolarHBondContact CG-OE2 3.47Å; K390-E1165 IonicContact NZ-OE1 3.16Å; K390-E1165 PolarHBondContact NZ-OE1 3.37Å; K390-E1165 IonicContact NZ-OE2 2.79Å; K390-E1165 PolarHBondContact NZ-OE2 3.37Å
391L79.1Confident74.4Confident17 Ų1757.2 Ų57.29%0.08927%0.274CS..Hα-helixtrans-58.1-46.6178.1-17861.6000111.8V68 F386 S389 K393 G394 L395 F1160 M1164 L1166V68-L391 HydrophobicContact CG1-CD1 3.74Å; F386-L391 HydrophobicContact CE2-CD2 4.07Å; F386-L391 HydrophobicContact CE2-CG 4.49Å; S389-L391 PolarHBondContact O-N 2.74Å; L391-K393 VanDerWaalsContact C-N 3.29Å; L391-K393 PolarHBondContact O-N 2.95Å; L391-G394 PolarHBondContact O-N 3.24Å; L391-L395 HydrophobicContact CD1-CD1 3.91Å; L391-L395 HydrophobicContact CD1-CG 3.96Å; L391-L395 HydrophobicContact CG-CD1 3.82Å; L391-L395 HydrophobicContact CG-CG 4.3Å; L391-L395 WeakPolarHBondContact O-CB 3.37Å; L391-L395 WeakPolarHBondContact O-CG 3.22Å; L391-L395 PolarHBondContact O-N 3.34Å; L391-F1160 HydrophobicContact CD2-CZ 3.84Å; L391-M1164 HydrophobicContact CB-CB 4.48Å; L391-M1164 HydrophobicContact CB-CG 4.42Å; L391-M1164 HydrophobicContact CB-SD 3.94Å; L391-M1164 HydrophobicContact CD1-CE 3.94Å; L391-M1164 HydrophobicContact CD1-SD 4.18Å; L391-L1166 HydrophobicContact CD2-CD1 4.32Å
392K78.2Confident74.9Confident44 Ų4457.2 Ų57.219%0.19127%0.271CS..Hα-helixtrans-53.8-44.9174.7-179.1-176.8177.8-174.70112E387 S389 K390 K396 E431E387-K392 WeakPolarHBondContact O-CD 3.33Å; E387-K392 IonicContact OE1-NZ 2.98Å; E387-K392 PolarHBondContact OE1-NZ 2.9Å; S389-K392 PolarHBondContact O-N 2.94Å; S389-K392 PolarHBondContact OG-N 3.37Å; S389-K392 VanDerWaalsContact OG-N 3.08Å; K390-K392 PolarHBondContact O-N 3.38Å; K392-K396 WeakPolarHBondContact O-CB 3.45Å; K392-K396 PolarHBondContact O-N 3.38Å; K392-K396 VanDerWaalsContact O-N 3.13Å; K392-E431 IonicContact NZ-OE2 3.47Å
393K77Confident75.4Confident124 Ų12455.2 Ų55.254%0.53927%0.267SS..Hα-helixtrans-67.9-46.3180-65.9171-176.3162.50111.7L76 K390 L391 K396 I397L76-K393 HydrophobicContact CD2-CB 3.98Å; K390-K393 PolarHBondContact O-N 3.31Å; L391-K393 VanDerWaalsContact C-N 3.29Å; L391-K393 PolarHBondContact O-N 2.95Å; K393-K396 PolarHBondContact O-N 3.07Å; K393-I397 WeakPolarHBondContact O-CG1 3.41Å; K393-I397 PolarHBondContact O-N 3.43Å; K393-I397 VanDerWaalsContact O-N 3.16Å
394G77.6Confident75.7Confident1 Ų155.1 Ų55.11%0.0126%0.264CS..Hα-helixtrans-62.1-46.317700000113K390 L391 K396 I397 L398K390-G394 PolarHBondContact O-N 3.05Å; L391-G394 PolarHBondContact O-N 3.24Å; G394-K396 VanDerWaalsContact C-N 3.3Å; G394-K396 PolarHBondContact O-N 2.99Å; G394-I397 PolarHBondContact O-N 3.31Å; G394-L398 PolarHBondContact O-N 2.92Å
395L77.8Confident75.9Confident45 Ų4551.2 Ų51.224%0.23625%0.248CC..Hα-helixtrans-61.4-36.3176.8-71.7173.3000112.5L391 L398 A399 I428L391-L395 HydrophobicContact CD1-CD1 3.91Å; L391-L395 HydrophobicContact CD1-CG 3.96Å; L391-L395 HydrophobicContact CG-CD1 3.82Å; L391-L395 HydrophobicContact CG-CG 4.3Å; L391-L395 WeakPolarHBondContact O-CB 3.37Å; L391-L395 WeakPolarHBondContact O-CG 3.22Å; L391-L395 PolarHBondContact O-N 3.34Å; L395-L398 PolarHBondContact O-N 3.4Å; L395-A399 WeakPolarHBondContact O-CB 3.44Å; L395-A399 PolarHBondContact O-N 2.73Å; L395-I428 HydrophobicContact CB-CD1 4.43Å; L395-I428 HydrophobicContact CB-CG2 4.09Å; L395-I428 HydrophobicContact CD1-CD1 4.45Å
396K79.7Confident76Confident71 Ų7151.4 Ų51.431%0.30925%0.249SC..Hα-helixtrans-66.9-38.8175.6-163166.1-171.3172.50112.4K392 K393 G394 Q400 E431K392-K396 WeakPolarHBondContact O-CB 3.45Å; K392-K396 PolarHBondContact O-N 3.38Å; K392-K396 VanDerWaalsContact O-N 3.13Å; K393-K396 PolarHBondContact O-N 3.07Å; G394-K396 VanDerWaalsContact C-N 3.3Å; G394-K396 PolarHBondContact O-N 2.99Å; K396-Q400 WeakPolarHBondContact O-CG 3.47Å; K396-Q400 PolarHBondContact O-N 3.26Å; K396-E431 IonicContact NZ-OE1 2.72Å; K396-E431 PolarHBondContact NZ-OE1 3.43Å
397I78.1Confident76Confident44 Ų4452.5 Ų52.523%0.22627%0.266CS..Hα-helixtrans-67.3-44.4172.8-63.3167000110.6L75 L76 K393 G394 A399 Q400 I401L75-I397 HydrophobicContact CB-CG2 4.38Å; L75-I397 HydrophobicContact CD2-CG2 4.13Å; L76-I397 HydrophobicContact CD2-CD1 4.26Å; K393-I397 WeakPolarHBondContact O-CG1 3.41Å; K393-I397 PolarHBondContact O-N 3.43Å; K393-I397 VanDerWaalsContact O-N 3.16Å; G394-I397 PolarHBondContact O-N 3.31Å; I397-A399 VanDerWaalsContact C-N 3.35Å; I397-A399 PolarHBondContact O-N 3.09Å; I397-Q400 PolarHBondContact O-N 3.48Å; I397-I401 HydrophobicContact CG2-CD1 3.82Å; I397-I401 HydrophobicContact CG2-CG1 4.39Å; I397-I401 WeakPolarHBondContact O-CG1 3.34Å; I397-I401 PolarHBondContact O-N 3.18Å
398L78Confident75.8Confident62 Ų6253.6 Ų53.633%0.32528%0.278SS..Hα-helixtrans-60-43.7177.7-174.864.7000111.8L71 L75 G394 L395 Q400 I401 Y402L71-L398 HydrophobicContact CD2-CD2 4.15Å; L75-L398 HydrophobicContact CD1-CB 3.83Å; L75-L398 HydrophobicContact CD1-CD1 4.24Å; L75-L398 HydrophobicContact CD1-CG 4.46Å; L75-L398 HydrophobicContact CD2-CB 4.49Å; L75-L398 HydrophobicContact CD2-CD1 4.3Å; G394-L398 PolarHBondContact O-N 2.92Å; L395-L398 PolarHBondContact O-N 3.4Å; L398-Q400 VanDerWaalsContact C-N 3.33Å; L398-Q400 PolarHBondContact O-N 3.32Å; L398-I401 PolarHBondContact O-N 2.72Å; L398-Y402 WeakPolarHBondContact O-CB 3.09Å; L398-Y402 PolarHBondContact O-N 3.38Å
399A76.1Confident75.4Confident5 Ų552.5 Ų52.54%0.04128%0.275CS..Hα-helixtrans-59.3-42.6175.600000111.7L395 I397 Y402 L403L395-A399 WeakPolarHBondContact O-CB 3.44Å; L395-A399 PolarHBondContact O-N 2.73Å; I397-A399 VanDerWaalsContact C-N 3.35Å; I397-A399 PolarHBondContact O-N 3.09Å; A399-Y402 PolarHBondContact O-N 2.96Å; A399-L403 WeakPolarHBondContact O-CB 3.33Å; A399-L403 WeakPolarHBondContact O-CD1 3.33Å; A399-L403 WeakPolarHBondContact O-CG 3.48Å; A399-L403 PolarHBondContact O-N 3.48Å
400Q79.2Confident75.3Confident94 Ų9457.1 Ų57.144%0.43930%0.3SS..Hα-helixtrans-68.1-39177.1-72.2176.2-22.300113.2K396 I397 L398 T404K396-Q400 WeakPolarHBondContact O-CG 3.47Å; K396-Q400 PolarHBondContact O-N 3.26Å; I397-Q400 PolarHBondContact O-N 3.48Å; L398-Q400 VanDerWaalsContact C-N 3.33Å; L398-Q400 PolarHBondContact O-N 3.32Å; Q400-T404 WeakPolarHBondContact O-CG2 3.49Å; Q400-T404 PolarHBondContact O-N 2.87Å; Q400-T404 PolarHBondContact O-OG1 3.43Å
401I74.7Confident74.8Confident32 Ų3255.7 Ų55.716%0.16430%0.296CS..Hα-helixtrans-67.3-40.9174.2-67.4172.4000110.5L75 Y196 I397 L398 T404 A405L75-I401 HydrophobicContact CD2-CD1 3.87Å; Y196-I401 HydrophobicContact CD2-CG1 4.34Å; Y196-I401 HydrophobicContact CE2-CG1 4.09Å; I397-I401 HydrophobicContact CG2-CD1 3.82Å; I397-I401 HydrophobicContact CG2-CG1 4.39Å; I397-I401 WeakPolarHBondContact O-CG1 3.34Å; I397-I401 PolarHBondContact O-N 3.18Å; L398-I401 PolarHBondContact O-N 2.72Å; I401-T404 WeakPolarHBondContact CA-OG1 3.41Å; I401-T404 PolarHBondContact O-N 3.32Å; I401-T404 PolarHBondContact O-OG1 2.83Å; I401-A405 VanDerWaalsContact O-CB 3.23Å; I401-A405 WeakPolarHBondContact O-CB 3.49Å; I401-A405 PolarHBondContact O-N 3.46Å
402Y76.2Confident74.3Confident36 Ų3656.7 Ų56.714%0.14130%0.303CS..Hα-helixtrans-63.8-46176.6-174.5-97000111.6L398 A399 T404 A405 D406 L411 T412 L415L398-Y402 WeakPolarHBondContact O-CB 3.09Å; L398-Y402 PolarHBondContact O-N 3.38Å; A399-Y402 PolarHBondContact O-N 2.96Å; Y402-T404 VanDerWaalsContact C-N 3.34Å; Y402-T404 PolarHBondContact O-N 2.97Å; Y402-A405 PolarHBondContact O-N 3.47Å; Y402-D406 WeakPolarHBondContact O-CB 3.23Å; Y402-D406 PolarHBondContact O-N 3.35Å; Y402-L411 HydrophobicContact CE2-CD1 4.46Å; Y402-T412 HydrophobicContact CE1-CG2 4.43Å; Y402-L415 HydrophobicContact CE2-CD1 3.8Å; Y402-L415 WeakPolarHBondContact OH-CD1 3.47Å
403L78.6Confident74Confident56 Ų5658.9 Ų58.929%0.29332%0.324SS..Hα-helixtrans-66.6-31.2179.1-69.6165000113A399 S407A399-L403 WeakPolarHBondContact O-CB 3.33Å; A399-L403 WeakPolarHBondContact O-CD1 3.33Å; A399-L403 WeakPolarHBondContact O-CG 3.48Å; A399-L403 PolarHBondContact O-N 3.48Å; L403-S407 WeakPolarHBondContact O-CB 3.39Å; L403-S407 PolarHBondContact O-N 3.35Å; L403-S407 PolarHBondContact O-OG 3.26Å
404T74.1Confident73.3Confident62 Ų6261.2 Ų61.238%0.3833%0.334SS..Hα-helixtrans-80.3-31.7174.148.70000113.2Q400 I401 Y402 S407 T408Q400-T404 WeakPolarHBondContact O-CG2 3.49Å; Q400-T404 PolarHBondContact O-N 2.87Å; Q400-T404 PolarHBondContact O-OG1 3.43Å; I401-T404 WeakPolarHBondContact CA-OG1 3.41Å; I401-T404 PolarHBondContact O-N 3.32Å; I401-T404 PolarHBondContact O-OG1 2.83Å; Y402-T404 VanDerWaalsContact C-N 3.34Å; Y402-T404 PolarHBondContact O-N 2.97Å; T404-S407 WeakPolarHBondContact CA-OG 3.44Å; T404-S407 PolarHBondContact O-OG 2.91Å; T404-T408 WeakPolarHBondContact O-CG2 3.19Å; T404-T408 PolarHBondContact O-N 2.91Å; T404-T408 PolarHBondContact O-OG1 2.03Å
405A70.7Confident72.7Confident22 Ų2264 Ų6418%0.18235%0.349CS..Hα-helixtrans-73.9-37.817200000112.2I401 Y402 T408 L409 L411I401-A405 VanDerWaalsContact O-CB 3.23Å; I401-A405 WeakPolarHBondContact O-CB 3.49Å; I401-A405 PolarHBondContact O-N 3.46Å; Y402-A405 PolarHBondContact O-N 3.47Å; A405-T408 WeakPolarHBondContact CA-OG1 3.4Å; A405-T408 PolarHBondContact O-N 3.16Å; A405-T408 PolarHBondContact O-OG1 2.73Å; A405-L409 WeakPolarHBondContact O-CB 3.29Å; A405-L409 PolarHBondContact O-N 3.32Å; A405-L411 HydrophobicContact CB-CD1 3.6Å
406D72.7Confident71.8Confident15 Ų1568.5 Ų68.58%0.0838%0.38CS..Hα-helixtrans-62.8-46.8174.5-175.142.6000111.4Y402 T408 N410 L411 T412Y402-D406 WeakPolarHBondContact O-CB 3.23Å; Y402-D406 PolarHBondContact O-N 3.35Å; D406-T408 PolarHBondContact O-N 3.39Å; D406-N410 WeakPolarHBondContact O-CA 3.04Å; D406-N410 PolarHBondContact O-N 3.03Å; D406-L411 HydrophobicContact CB-CB 4.4Å; D406-L411 PolarHBondContact OD1-N 2.78Å; D406-L411 VanDerWaalsContact OD1-N 3.09Å; D406-T412 WeakPolarHBondContact OD1-CB 3.44Å; D406-T412 WeakPolarHBondContact OD1-CG2 3.34Å; D406-T412 PolarHBondContact OD1-N 3.42Å; D406-T412 PolarHBondContact OD1-OG1 3.37Å; D406-T412 VanDerWaalsContact OD2-CG2 3.29Å; D406-T412 WeakPolarHBondContact OD2-CG2 3.39Å; D406-T412 PolarHBondContact OD2-OG1 3.24Å
407S72.3Confident71Confident95 Ų9568.2 Ų68.266%0.66438%0.382SS*.Hα-helixtrans-69.6-9.3176.751.40000115.2L403 T404L403-S407 WeakPolarHBondContact O-CB 3.39Å; L403-S407 PolarHBondContact O-N 3.35Å; L403-S407 PolarHBondContact O-OG 3.26Å; T404-S407 WeakPolarHBondContact CA-OG 3.44Å; T404-S407 PolarHBondContact O-OG 2.91Å
408T65Low70.3Confident94 Ų9466.2 Ų66.258%0.57737%0.372SS*.Hα-helixtrans-113.3-21.9177.352.20000114.7T404 A405 D406T404-T408 WeakPolarHBondContact O-CG2 3.19Å; T404-T408 PolarHBondContact O-N 2.91Å; T404-T408 PolarHBondContact O-OG1 2.03Å; A405-T408 WeakPolarHBondContact CA-OG1 3.4Å; A405-T408 PolarHBondContact O-N 3.16Å; A405-T408 PolarHBondContact O-OG1 2.73Å; D406-T408 PolarHBondContact O-N 3.39Å
409L64.9Low70Confident109 Ų10969.4 Ų69.457%0.57139%0.388SS*.Hα-helixtrans-125.9-3-177-58.7171.6000113.7A405 L411A405-L409 WeakPolarHBondContact O-CB 3.29Å; A405-L409 PolarHBondContact O-N 3.32Å; L409-L411 HydrophobicContact CB-CD2 3.89Å; L409-L411 HydrophobicContact CB-CG 4.12Å; L409-L411 HydrophobicContact CD1-CD2 4.38Å; L409-L411 PolarHBondContact O-N 3.06Å
410N72.9Confident69.7Low97 Ų9774.5 Ų74.552%0.51941%0.41SS..  trans57.642.1-178.6-159.716.6000113.9D406 T412 S413D406-N410 WeakPolarHBondContact O-CA 3.04Å; D406-N410 PolarHBondContact O-N 3.03Å; N410-T412 VanDerWaalsContact C-N 3.27Å; N410-T412 PolarHBondContact O-N 2.94Å; N410-S413 WeakPolarHBondContact O-CB 3.32Å; N410-S413 PolarHBondContact O-N 3.34Å; N410-S413 PolarHBondContact O-OG 2.93Å
411L67Low69.3Low44 Ų4473.1 Ų73.123%0.2340%0.401CS..G310 helixtrans-59.9-31-172-63.1-179.7000114Y402 A405 D406 L409 S413 F414 L415Y402-L411 HydrophobicContact CE2-CD1 4.46Å; A405-L411 HydrophobicContact CB-CD1 3.6Å; D406-L411 HydrophobicContact CB-CB 4.4Å; D406-L411 PolarHBondContact OD1-N 2.78Å; D406-L411 VanDerWaalsContact OD1-N 3.09Å; L409-L411 HydrophobicContact CB-CD2 3.89Å; L409-L411 HydrophobicContact CB-CG 4.12Å; L409-L411 HydrophobicContact CD1-CD2 4.38Å; L409-L411 PolarHBondContact O-N 3.06Å; L411-S413 PolarHBondContact O-N 3.48Å; L411-F414 PolarHBondContact O-N 3.21Å; L411-L415 HydrophobicContact CB-CD1 4.26Å; L411-L415 PolarHBondContact O-N 3.16Å
412T70Confident69.3Low39 Ų3977 Ų7724%0.23941%0.413CS..G310 helixtrans-61.8-23.9176.641.30000113Y402 D406 N410 R422Y402-T412 HydrophobicContact CE1-CG2 4.43Å; D406-T412 WeakPolarHBondContact OD1-CB 3.44Å; D406-T412 WeakPolarHBondContact OD1-CG2 3.34Å; D406-T412 PolarHBondContact OD1-N 3.42Å; D406-T412 PolarHBondContact OD1-OG1 3.37Å; D406-T412 VanDerWaalsContact OD2-CG2 3.29Å; D406-T412 WeakPolarHBondContact OD2-CG2 3.39Å; D406-T412 PolarHBondContact OD2-OG1 3.24Å; N410-T412 VanDerWaalsContact C-N 3.27Å; N410-T412 PolarHBondContact O-N 2.94Å; T412-R422 HydrophobicContact CG2-CB 4.12Å
413S70.6Confident69.2Low90 Ų9083.9 Ų83.963%0.62944%0.439SS*.G310 helixtrans-80.5-13.7173.172.60000114.4N410 L411N410-S413 WeakPolarHBondContact O-CB 3.32Å; N410-S413 PolarHBondContact O-N 3.34Å; N410-S413 PolarHBondContact O-OG 2.93Å; L411-S413 PolarHBondContact O-N 3.48Å
414F63.6Low69.1Low172 Ų17284.5 Ų84.575%0.75444%0.443SS*.THydrogen-bonded Turntrans-107.5-19.6-172.7-172.2-99.5000113.9L411L411-F414 PolarHBondContact O-N 3.21Å
415L65Low69.2Low61 Ų6181.9 Ų81.932%0.31943%0.427SS..  trans-101.6127.6-174.4-72.7162.4000111.7Y402 L411 L417 G418 Y421Y402-L415 HydrophobicContact CE2-CD1 3.8Å; Y402-L415 WeakPolarHBondContact OH-CD1 3.47Å; L411-L415 HydrophobicContact CB-CD1 4.26Å; L411-L415 PolarHBondContact O-N 3.16Å; L415-L417 PolarHBondContact O-N 3.03Å; L415-L417 VanDerWaalsContact O-N 3.15Å; L415-G418 PolarHBondContact O-N 3.13Å; L415-Y421 HydrophobicContact CD1-CD2 4.47Å
416P59.3Low69.6Low139 Ų13984.6 Ų84.690%0.90344%0.436SS*.THydrogen-bonded Turntrans-56.7-32.4178.6-26.934.9000114.3
417L62.6Low69.6Low65 Ų6589.1 Ų89.134%0.3445%0.453SS..THydrogen-bonded Turntrans-101.415.7176-77.3162.8000112.7L415 L419 F420 Y421L415-L417 PolarHBondContact O-N 3.03Å; L415-L417 VanDerWaalsContact O-N 3.15Å; L417-L419 VanDerWaalsContact C-N 3.26Å; L417-L419 PolarHBondContact O-N 2.67Å; L417-L419 VanDerWaalsContact O-N 3.16Å; L417-F420 HydrophobicContact CB-CB 4.47Å; L417-F420 HydrophobicContact CD2-CB 4.07Å; L417-F420 HydrophobicContact CD2-CD1 4.47Å; L417-F420 HydrophobicContact CD2-CG 4.44Å; L417-F420 CarbonylContact O-C 3.46Å; L417-F420 WeakPolarHBondContact O-CA 3.12Å; L417-F420 WeakPolarHBondContact O-CB 3.04Å; L417-F420 PolarHBondContact O-N 3.29Å; L417-Y421 HydrophobicContact CB-CD2 3.87Å; L417-Y421 HydrophobicContact CB-CE2 3.48Å; L417-Y421 VanDerWaalsContact CB-CE2 3.48Å; L417-Y421 VanDerWaalsContact O-CD2 3.32Å; L417-Y421 WeakPolarHBondContact O-CD2 3.33Å; L417-Y421 PolarHBondContact O-N 2.92Å
418G62.7Low69.8Low1 Ų186.4 Ų86.41%0.0143%0.43CS..Hα-helixtrans-53.7-39.1-174.300000114L415 R422L415-G418 PolarHBondContact O-N 3.13Å; G418-R422 VanDerWaalsContact O-CB 3.26Å; G418-R422 WeakPolarHBondContact O-CB 3.36Å; G418-R422 PolarHBondContact O-N 3.42Å
419L71.2Confident70.3Confident129 Ų12983.8 Ų83.868%0.67542%0.418SS*.Hα-helixtrans-67.3-35.6175.9-123.3166.1000112.9L417 R423L417-L419 VanDerWaalsContact C-N 3.26Å; L417-L419 PolarHBondContact O-N 2.67Å; L417-L419 VanDerWaalsContact O-N 3.16Å; L419-R423 WeakPolarHBondContact O-CG 3.3Å; L419-R423 PolarHBondContact O-N 3.28Å; L419-R423 VanDerWaalsContact O-N 3.09Å
420F70.2Confident70.8Confident112 Ų11281.7 Ų81.749%0.49141%0.413SS..Hα-helixtrans-72-48.5173.7170.5-97.7000111.2L417 R422 R423 L424L417-F420 HydrophobicContact CB-CB 4.47Å; L417-F420 HydrophobicContact CD2-CB 4.07Å; L417-F420 HydrophobicContact CD2-CD1 4.47Å; L417-F420 HydrophobicContact CD2-CG 4.44Å; L417-F420 CarbonylContact O-C 3.46Å; L417-F420 WeakPolarHBondContact O-CA 3.12Å; L417-F420 WeakPolarHBondContact O-CB 3.04Å; L417-F420 PolarHBondContact O-N 3.29Å; F420-R422 VanDerWaalsContact C-N 3.26Å; F420-R422 PolarHBondContact O-N 3.47Å; F420-R423 PolarHBondContact O-N 2.92Å; F420-L424 HydrophobicContact CE1-CD2 3.91Å; F420-L424 HydrophobicContact CZ-CD2 4.06Å; F420-L424 VanDerWaalsContact O-CB 3.29Å; F420-L424 WeakPolarHBondContact O-CB 3.37Å; F420-L424 PolarHBondContact O-N 3.41Å
421Y70.5Confident70.8Confident65 Ų6579.9 Ų79.926%0.25540%0.401SS..Hα-helixtrans-58.9-39.3176.4-66.4-48.7000111.8L415 L417 S425L415-Y421 HydrophobicContact CD1-CD2 4.47Å; L417-Y421 HydrophobicContact CB-CD2 3.87Å; L417-Y421 HydrophobicContact CB-CE2 3.48Å; L417-Y421 VanDerWaalsContact CB-CE2 3.48Å; L417-Y421 VanDerWaalsContact O-CD2 3.32Å; L417-Y421 WeakPolarHBondContact O-CD2 3.33Å; L417-Y421 PolarHBondContact O-N 2.92Å; Y421-S425 VanDerWaalsContact O-CB 3.27Å; Y421-S425 WeakPolarHBondContact O-CB 3.42Å; Y421-S425 PolarHBondContact O-N 3.17Å; Y421-S425 PolarHBondContact O-OG 3.16Å
422R75.7Confident70.8Confident113 Ų11383.8 Ų83.843%0.42642%0.416SS..Hα-helixtrans-60.7-56.9171.9-179167.7172.3159.4-0.7111.8T412 G418 F420 L424 S425 E426T412-R422 HydrophobicContact CG2-CB 4.12Å; G418-R422 VanDerWaalsContact O-CB 3.26Å; G418-R422 WeakPolarHBondContact O-CB 3.36Å; G418-R422 PolarHBondContact O-N 3.42Å; F420-R422 VanDerWaalsContact C-N 3.26Å; F420-R422 PolarHBondContact O-N 3.47Å; R422-L424 VanDerWaalsContact C-N 3.28Å; R422-L424 PolarHBondContact O-N 2.92Å; R422-S425 PolarHBondContact O-N 3.27Å; R422-S425 VanDerWaalsContact O-N 3.12Å; R422-S425 PolarHBondContact O-OG 3.4Å; R422-E426 HydrophobicContact CG-CG 4.37Å; R422-E426 WeakPolarHBondContact CG-OE1 3.41Å; R422-E426 IonicContact CZ-OE1 3.67Å; R422-E426 IonicContact NE-OE1 3.93Å; R422-E426 PolarHBondContact NE-OE1 3.11Å; R422-E426 IonicContact NH2-OE1 3.33Å; R422-E426 PolarHBondContact NH2-OE1 3.28Å; R422-E426 WeakPolarHBondContact O-CG 3.19Å; R422-E426 PolarHBondContact O-N 3.5Å
423R74.9Confident70.6Confident181 Ų18184.8 Ų84.868%0.68342%0.415SS*.Hα-helixtrans-55.8-40.7177.7-78-174.5-178.1-179.12.8112.7L419 F420 E426 Y427L419-R423 WeakPolarHBondContact O-CG 3.3Å; L419-R423 PolarHBondContact O-N 3.28Å; L419-R423 VanDerWaalsContact O-N 3.09Å; F420-R423 PolarHBondContact O-N 2.92Å; R423-E426 PolarHBondContact O-N 2.88Å; R423-Y427 VanDerWaalsContact O-CB 3.25Å; R423-Y427 WeakPolarHBondContact O-CB 3.41Å; R423-Y427 PolarHBondContact O-N 3.12Å
424L75.3Confident70.2Confident70 Ų7085.7 Ų85.737%0.36641%0.408SS..Hα-helixtrans-66.1-44.5177.9-176.763000111.2F420 R422 E426 Y427 I428F420-L424 HydrophobicContact CE1-CD2 3.91Å; F420-L424 HydrophobicContact CZ-CD2 4.06Å; F420-L424 VanDerWaalsContact O-CB 3.29Å; F420-L424 WeakPolarHBondContact O-CB 3.37Å; F420-L424 PolarHBondContact O-N 3.41Å; R422-L424 VanDerWaalsContact C-N 3.28Å; R422-L424 PolarHBondContact O-N 2.92Å; L424-E426 PolarHBondContact O-N 3.02Å; L424-Y427 PolarHBondContact O-N 2.83Å; L424-I428 HydrophobicContact CD1-CD1 3.87Å; L424-I428 HydrophobicContact CD1-CG1 4.32Å; L424-I428 HydrophobicContact CG-CD1 3.88Å; L424-I428 WeakPolarHBondContact O-CB 3.41Å; L424-I428 VanDerWaalsContact O-CG1 3.27Å; L424-I428 WeakPolarHBondContact O-CG1 3.39Å; L424-I428 PolarHBondContact O-N 2.95Å
425S76.7Confident69.9Low7 Ų786 Ų865%0.04941%0.412CS..Hα-helixtrans-62.8-40174.974.40000112.1Y421 R422 A429Y421-S425 VanDerWaalsContact O-CB 3.27Å; Y421-S425 WeakPolarHBondContact O-CB 3.42Å; Y421-S425 PolarHBondContact O-N 3.17Å; Y421-S425 PolarHBondContact O-OG 3.16Å; R422-S425 PolarHBondContact O-N 3.27Å; R422-S425 VanDerWaalsContact O-N 3.12Å; R422-S425 PolarHBondContact O-OG 3.4Å; S425-A429 WeakPolarHBondContact O-CB 3.28Å; S425-A429 PolarHBondContact O-N 2.7Å
426E79Confident69.5Low79 Ų7991.5 Ų91.537%0.36943%0.434SS..Hα-helixtrans-66.6-42.3175.3-72.1173.6179.600111.8R422 R423 L424 A429 S430R422-E426 HydrophobicContact CG-CG 4.37Å; R422-E426 WeakPolarHBondContact CG-OE1 3.41Å; R422-E426 IonicContact CZ-OE1 3.67Å; R422-E426 IonicContact NE-OE1 3.93Å; R422-E426 PolarHBondContact NE-OE1 3.11Å; R422-E426 IonicContact NH2-OE1 3.33Å; R422-E426 PolarHBondContact NH2-OE1 3.28Å; R422-E426 WeakPolarHBondContact O-CG 3.19Å; R422-E426 PolarHBondContact O-N 3.5Å; R423-E426 PolarHBondContact O-N 2.88Å; L424-E426 PolarHBondContact O-N 3.02Å; E426-A429 PolarHBondContact O-N 3.47Å; E426-S430 VanDerWaalsContact O-CB 3.27Å; E426-S430 WeakPolarHBondContact O-CB 3.46Å; E426-S430 PolarHBondContact O-N 3.38Å; E426-S430 PolarHBondContact O-OG 2.89Å
427Y73.6Confident69.3Low110 Ų11087.1 Ų87.143%0.43141%0.406SS..Hα-helixtrans-68.3-39.9178.7-169.8-108.5000112.7R423 L424 E431 K432 W433R423-Y427 VanDerWaalsContact O-CB 3.25Å; R423-Y427 WeakPolarHBondContact O-CB 3.41Å; R423-Y427 PolarHBondContact O-N 3.12Å; L424-Y427 PolarHBondContact O-N 2.83Å; Y427-E431 PolarHBondContact O-N 3.34Å; Y427-K432 HydrophobicContact CD2-CB 3.71Å; Y427-K432 HydrophobicContact CD2-CD 4.44Å; Y427-K432 HydrophobicContact CE2-CB 3.63Å; Y427-W433 HydrophobicContact CE1-CB 3.69Å; Y427-W433 WeakPolarHBondContact OH-CA 3.35Å
428I75.8Confident69.2Low38 Ų3887.8 Ų87.820%0.19541%0.405CS..Hα-helixtrans-69.3-43.6173.6-69.1171000110.9L395 L424L395-I428 HydrophobicContact CB-CD1 4.43Å; L395-I428 HydrophobicContact CB-CG2 4.09Å; L395-I428 HydrophobicContact CD1-CD1 4.45Å; L424-I428 HydrophobicContact CD1-CD1 3.87Å; L424-I428 HydrophobicContact CD1-CG1 4.32Å; L424-I428 HydrophobicContact CG-CD1 3.88Å; L424-I428 WeakPolarHBondContact O-CB 3.41Å; L424-I428 VanDerWaalsContact O-CG1 3.27Å; L424-I428 WeakPolarHBondContact O-CG1 3.39Å; L424-I428 PolarHBondContact O-N 2.95Å
429A75.8Confident69.3Low39 Ų3992.8 Ų92.832%0.32243%0.431SS..Hα-helixtrans-70.7-30-178.600000113.5S425 E426S425-A429 WeakPolarHBondContact O-CB 3.28Å; S425-A429 PolarHBondContact O-N 2.7Å; E426-A429 PolarHBondContact O-N 3.47Å
430S74.6Confident68.8Low65 Ų6591.7 Ų91.746%0.45543%0.426SS..THydrogen-bonded Turntrans-95.12.2178.763.40000115.2E426 K432E426-S430 VanDerWaalsContact O-CB 3.27Å; E426-S430 WeakPolarHBondContact O-CB 3.46Å; E426-S430 PolarHBondContact O-N 3.38Å; E426-S430 PolarHBondContact O-OG 2.89Å; S430-K432 PolarHBondContact O-N 3Å; S430-K432 VanDerWaalsContact O-N 3.08Å
431E72.7Confident68.5Low59 Ų5990.8 Ų90.828%0.27642%0.422SS..THydrogen-bonded Turntrans55.323.6174.3-57-164.6-156.200116.2K392 K396 Y427 W433K392-E431 IonicContact NZ-OE2 3.47Å; K396-E431 IonicContact NZ-OE1 2.72Å; K396-E431 PolarHBondContact NZ-OE1 3.43Å; Y427-E431 PolarHBondContact O-N 3.34Å; E431-W433 PolarHBondContact O-N 2.75Å; E431-W433 VanDerWaalsContact O-N 3.09Å
432K66.7Low68.2Low126 Ų12688.4 Ų88.455%0.54842%0.416SS..G310 helixtrans-63.8-13.7-177.1-75.6-178.1175.3-177.20115.8Y427 S430 K434Y427-K432 HydrophobicContact CD2-CB 3.71Å; Y427-K432 HydrophobicContact CD2-CD 4.44Å; Y427-K432 HydrophobicContact CE2-CB 3.63Å; S430-K432 PolarHBondContact O-N 3Å; S430-K432 VanDerWaalsContact O-N 3.08Å; K432-K434 PolarHBondContact O-N 3.41Å; K432-K434 VanDerWaalsContact O-N 3.07Å
433W66Low67.6Low59 Ų5984.8 Ų84.822%0.22341%0.414CS..G310 helixtrans-64.3-10.3-17757.1-91.5000114.8F386 E387 Y427 E431 Q435F386-W433 HydrophobicContact CD1-CH2 4.24Å; F386-W433 HydrophobicContact CD1-CZ2 4.48Å; F386-W433 HydrophobicContact CD1-CZ3 4.32Å; F386-W433 HydrophobicContact CE1-CZ2 4.48Å; E387-W433 HydrophobicContact CB-CH2 4.15Å; Y427-W433 HydrophobicContact CE1-CB 3.69Å; Y427-W433 WeakPolarHBondContact OH-CA 3.35Å; E431-W433 PolarHBondContact O-N 2.75Å; E431-W433 VanDerWaalsContact O-N 3.09Å; W433-Q435 VanDerWaalsContact C-N 3.3Å; W433-Q435 PolarHBondContact O-N 2.79Å
434K62.4Low67Low109 Ų10978.3 Ų78.347%0.47439%0.393SS..G310 helixtrans-76.7-4.8-179.1-61.7-168.5177.9-153.80115.8E387 K432E387-K434 WeakPolarHBondContact OE1-CE 3.21Å; E387-K434 IonicContact OE1-NZ 3.99Å; E387-K434 PolarHBondContact OE1-NZ 2.97Å; E387-K434 WeakPolarHBondContact OE2-CE 3.43Å; E387-K434 IonicContact OE2-NZ 2.91Å; E387-K434 PolarHBondContact OE2-NZ 2.87Å; K432-K434 PolarHBondContact O-N 3.41Å; K432-K434 VanDerWaalsContact O-N 3.07Å
435Q56.6Low66.6Low178 Ų17877 Ų7783%0.83239%0.386SS*.G310 helixtrans-94.7-2.3-177.1-69.6-173.1-68.300114.9W433W433-Q435 VanDerWaalsContact C-N 3.3Å; W433-Q435 PolarHBondContact O-N 2.79Å
436F56.8Low66.3Low178 Ų17878.1 Ų78.178%0.78139%0.394SS*.SBendtrans-86.8120.4178.2-160.6-97000109.9
437S55Low65.8Low47 Ų4777.1 Ų77.133%0.32939%0.389SS..  trans-75.7145.6-169.3-164.10000113.2D439 D440S437-D439 PolarHBondContact OG-N 2.87Å; S437-D440 WeakPolarHBondContact CB-OD2 3.32Å
438Y61.1Low65.5Low78 Ų7872.7 Ų72.731%0.30638%0.377SS..Hα-helixtrans-76-36.9172.9161.4-93.3000111.9V379 K380 D440 F441 A442V379-Y438 HydrophobicContact CB-CE2 4.03Å; V379-Y438 HydrophobicContact CG1-CD2 3.94Å; V379-Y438 HydrophobicContact CG1-CE2 3.83Å; K380-Y438 HydrophobicContact CB-CD2 4.04Å; K380-Y438 HydrophobicContact CB-CE2 3.47Å; K380-Y438 VanDerWaalsContact CB-CE2 3.47Å; K380-Y438 HydrophobicContact CD-CD1 4.42Å; K380-Y438 HydrophobicContact CD-CE1 4.04Å; K380-Y438 HydrophobicContact CD-CE2 4.28Å; K380-Y438 HydrophobicContact CG-CD2 4.18Å; K380-Y438 HydrophobicContact CG-CE2 3.98Å; Y438-D440 PolarHBondContact O-N 3.32Å; Y438-F441 PolarHBondContact O-N 2.88Å; Y438-A442 HydrophobicContact CE1-CB 4.02Å; Y438-A442 HydrophobicContact CE2-CB 4.38Å; Y438-A442 WeakPolarHBondContact O-CB 3.21Å; Y438-A442 PolarHBondContact O-N 3.42Å
439D63.9Low65.5Low106 Ų10672.5 Ų72.557%0.56737%0.373SS*.Hα-helixtrans-70-34.2-167.3-59.3-61.7000112.2S437 A442 G443S437-D439 PolarHBondContact OG-N 2.87Å; D439-A442 PolarHBondContact O-N 3.46Å; D439-G443 PolarHBondContact O-N 3.5Å
440D61Low65.5Low106 Ų10672.8 Ų72.857%0.56737%0.37SS*.Hα-helixtrans-61.5-52.4176-51.6-33.1000110.7S437 Y438 A442 G443 N444S437-D440 WeakPolarHBondContact CB-OD2 3.32Å; Y438-D440 PolarHBondContact O-N 3.32Å; D440-A442 VanDerWaalsContact C-N 3.31Å; D440-A442 PolarHBondContact O-N 3.08Å; D440-G443 PolarHBondContact O-N 3.03Å; D440-N444 PolarHBondContact O-N 3.02Å; D440-N444 PolarHBondContact O-ND2 3Å; D440-N444 PolarHBondContact O-OD1 2.83Å
441F64.1Low65.6Low93 Ų9371.8 Ų71.841%0.40836%0.359SS..Hα-helixtrans-64.1-35.6179.3-174.4-90.5000112.3V379 Y438 I445V379-F441 HydrophobicContact CG1-CD1 3.82Å; V379-F441 HydrophobicContact CG1-CE1 4.01Å; V379-F441 HydrophobicContact CG2-CD1 4.36Å; V379-F441 HydrophobicContact CG2-CE1 3.92Å; Y438-F441 PolarHBondContact O-N 2.88Å; F441-I445 HydrophobicContact CD1-CD1 4.06Å; F441-I445 HydrophobicContact CD2-CD1 4.35Å; F441-I445 HydrophobicContact CE1-CD1 3.52Å; F441-I445 HydrophobicContact CE2-CD1 3.83Å; F441-I445 HydrophobicContact CG-CD1 4.46Å; F441-I445 HydrophobicContact CZ-CD1 3.39Å
442A64.5Low65.9Low15 Ų1570.1 Ų70.112%0.12435%0.352CS..Hα-helixtrans-67.8-41.2175.100000112.1F376 Y438 D439 D440 S446F376-A442 WeakPolarHBondContact CE2-O 3.49Å; F376-A442 WeakPolarHBondContact CZ-O 3.09Å; Y438-A442 HydrophobicContact CE1-CB 4.02Å; Y438-A442 HydrophobicContact CE2-CB 4.38Å; Y438-A442 WeakPolarHBondContact O-CB 3.21Å; Y438-A442 PolarHBondContact O-N 3.42Å; D439-A442 PolarHBondContact O-N 3.46Å; D440-A442 VanDerWaalsContact C-N 3.31Å; D440-A442 PolarHBondContact O-N 3.08Å; A442-S446 WeakPolarHBondContact O-CB 3.47Å; A442-S446 PolarHBondContact O-N 3.07Å
443G63.9Low66.4Low37 Ų3767 Ų6738%0.38134%0.337SS..Hα-helixtrans-59-52.4174.200000111.8D439 D440 I445 S446D439-G443 PolarHBondContact O-N 3.5Å; D440-G443 PolarHBondContact O-N 3.03Å; G443-I445 PolarHBondContact O-N 2.83Å; G443-I445 VanDerWaalsContact O-N 3.09Å; G443-S446 WeakPolarHBondContact O-CB 3.49Å; G443-S446 PolarHBondContact O-N 3.13Å; G443-S446 VanDerWaalsContact O-N 3.13Å; G443-S446 PolarHBondContact O-OG 3.23Å
444N61Low67.1Low45 Ų4564.3 Ų64.324%0.24133%0.327CS..Hα-helixtrans-56.9-29.8-175.2-64.2-1.5000114.3Y236 D440Y236-N444 VanDerWaalsContact CE1-ND2 3.27Å; Y236-N444 WeakPolarHBondContact CE1-ND2 3.27Å; Y236-N444 WeakPolarHBondContact CE1-OD1 3.37Å; Y236-N444 PolarHBondContact OH-OD1 2.83Å; D440-N444 PolarHBondContact O-N 3.02Å; D440-N444 PolarHBondContact O-ND2 3Å; D440-N444 PolarHBondContact O-OD1 2.83Å
445I68.4Low67.9Low43 Ų4361 Ų6122%0.22131%0.312CS..Hα-helixtrans-102.4-12.4-174.4-60.8-179.8000111.9F372 F376 F441 G443 H447 G448 Y449F372-I445 HydrophobicContact CE1-CG2 4.02Å; F372-I445 HydrophobicContact CE2-CG2 4.25Å; F372-I445 HydrophobicContact CZ-CG2 3.45Å; F372-I445 VanDerWaalsContact CZ-CG2 3.45Å; F376-I445 HydrophobicContact CD2-CB 3.95Å; F376-I445 HydrophobicContact CD2-CG2 3.56Å; F376-I445 HydrophobicContact CE2-CB 3.81Å; F376-I445 HydrophobicContact CE2-CG2 3.91Å; F441-I445 HydrophobicContact CD1-CD1 4.06Å; F441-I445 HydrophobicContact CD2-CD1 4.35Å; F441-I445 HydrophobicContact CE1-CD1 3.52Å; F441-I445 HydrophobicContact CE2-CD1 3.83Å; F441-I445 HydrophobicContact CG-CD1 4.46Å; F441-I445 HydrophobicContact CZ-CD1 3.39Å; G443-I445 PolarHBondContact O-N 2.83Å; G443-I445 VanDerWaalsContact O-N 3.09Å; I445-H447 VanDerWaalsContact C-N 3.32Å; I445-H447 PolarHBondContact O-N 3.01Å; I445-G448 PolarHBondContact O-N 3.2Å; I445-Y449 PolarHBondContact O-N 2.93Å
446S69Low69.1Low31 Ų3154.9 Ų54.922%0.21728%0.282CS..Hα-helixtrans-58.9-32.7-175.368.10000115.1A442 G443 Y449 N450A442-S446 WeakPolarHBondContact O-CB 3.47Å; A442-S446 PolarHBondContact O-N 3.07Å; G443-S446 WeakPolarHBondContact O-CB 3.49Å; G443-S446 PolarHBondContact O-N 3.13Å; G443-S446 VanDerWaalsContact O-N 3.13Å; G443-S446 PolarHBondContact O-OG 3.23Å; S446-Y449 WeakPolarHBondContact O-CB 3.37Å; S446-Y449 PolarHBondContact O-N 3.46Å; S446-N450 PolarHBondContact O-N 3.07Å; S446-N450 PolarHBondContact O-ND2 3.03Å; S446-N450 VanDerWaalsContact O-ND2 3.17Å
447H68.8Low69.9Low58 Ų5846.8 Ų46.827%0.26925%0.247SC..Hα-helixtrans-73.7-40.1179.2-70.9-109.7000112S249 I445 Y449 N450 L451S249-H447 WeakPolarHBondContact CB-ND1 3.33Å; S249-H447 PolarHBondContact OG-ND1 2.64Å; S249-H447 VanDerWaalsContact OG-ND1 3.08Å; I445-H447 VanDerWaalsContact C-N 3.32Å; I445-H447 PolarHBondContact O-N 3.01Å; H447-Y449 VanDerWaalsContact C-N 3.33Å; H447-N450 PolarHBondContact O-N 3.47Å; H447-L451 WeakPolarHBondContact O-CB 3.38Å; H447-L451 PolarHBondContact O-N 3.19Å
448G68.2Low71Confident17 Ų1751.5 Ų51.518%0.17526%0.259CS..Hα-helixtrans-63.7-39.5171.400000112I445 L451 L452I445-G448 PolarHBondContact O-N 3.2Å; G448-L451 PolarHBondContact O-N 2.87Å; G448-L452 WeakPolarHBondContact O-CB 3.44Å; G448-L452 WeakPolarHBondContact O-CG 3.12Å; G448-L452 PolarHBondContact O-N 3.49Å
449Y75.3Confident72.1Confident33 Ų3348.5 Ų48.513%0.12925%0.247CC..Hα-helixtrans-58.3-49.5171.9174.1-92.3000111.8M373 F376 E377 I445 S446 H447 L451 L452 R453M373-Y449 HydrophobicContact CB-CE2 4.41Å; M373-Y449 HydrophobicContact CE-CD2 4.04Å; M373-Y449 HydrophobicContact CE-CE1 4.34Å; M373-Y449 HydrophobicContact CE-CE2 3.32Å; M373-Y449 VanDerWaalsContact CE-CZ 3.49Å; M373-Y449 HydrophobicContact CG-CE2 4.48Å; M373-Y449 HydrophobicContact SD-CD2 3.42Å; M373-Y449 WeakPolarHBondContact SD-CD2 3.19Å; M373-Y449 HydrophobicContact SD-CE2 3.36Å; M373-Y449 WeakPolarHBondContact SD-CE2 3.17Å; M373-Y449 HydrophobicContact SD-CG 4.12Å; F376-Y449 HydrophobicContact CB-CD2 3.99Å; F376-Y449 HydrophobicContact CD1-CD1 4.31Å; F376-Y449 AromaticContact CD1-CD2 3.25Å; F376-Y449 HydrophobicContact CD1-CD2 3.25Å; F376-Y449 AromaticContact CD1-CE2 3.62Å; F376-Y449 HydrophobicContact CD1-CE2 3.62Å; F376-Y449 AromaticContact CD1-CG 3.65Å; F376-Y449 HydrophobicContact CD1-CG 3.65Å; F376-Y449 HydrophobicContact CE1-CD1 4.13Å; F376-Y449 AromaticContact CE1-CD2 3.9Å; F376-Y449 HydrophobicContact CE1-CD2 3.9Å; F376-Y449 HydrophobicContact CE1-CE2 4.29Å; F376-Y449 AromaticContact CE1-CG 3.82Å; F376-Y449 HydrophobicContact CE1-CG 3.82Å; F376-Y449 AromaticContact CG-CD2 3.81Å; F376-Y449 HydrophobicContact CG-CD2 3.81Å; F376-Y449 HydrophobicContact CG-CE2 4.45Å; F376-Y449 HydrophobicContact CG-CG 4.28Å; E377-Y449 HydrophobicContact CG-CE2 4.32Å; I445-Y449 PolarHBondContact O-N 2.93Å; S446-Y449 WeakPolarHBondContact O-CB 3.37Å; S446-Y449 PolarHBondContact O-N 3.46Å; H447-Y449 VanDerWaalsContact C-N 3.33Å; Y449-L451 PolarHBondContact O-N 3.1Å; Y449-L452 PolarHBondContact O-N 2.8Å; Y449-R453 WeakPolarHBondContact O-CB 3.43Å; Y449-R453 PolarHBondContact O-N 3.38Å
450N76Confident73.2Confident46 Ų4644.6 Ų44.625%0.24623%0.225CC..Hα-helixtrans-68.1-35.3180-73.5-40.1000113.5W320 S446 H447 R453 C454W320-N450 HydrophobicContact CD2-CB 4.02Å; W320-N450 HydrophobicContact CG-CB 4.14Å; W320-N450 HydrophobicContact CZ2-CB 4.09Å; S446-N450 PolarHBondContact O-N 3.07Å; S446-N450 PolarHBondContact O-ND2 3.03Å; S446-N450 VanDerWaalsContact O-ND2 3.17Å; H447-N450 PolarHBondContact O-N 3.47Å; N450-R453 PolarHBondContact O-N 2.93Å; N450-C454 PolarHBondContact O-N 3.44Å
451L76.4Confident74.5Confident44 Ų4445.3 Ų45.323%0.2322%0.22CC..Hα-helixtrans-60.9-51.6172.417564000111.6F14 W320 L338 H447 G448 Y449 R453 C454 F455F14-L451 HydrophobicContact CZ-CD2 3.95Å; W320-L451 VanDerWaalsContact CH2-CA 3.47Å; W320-L451 HydrophobicContact CH2-CB 3.68Å; W320-L451 HydrophobicContact CH2-CD1 3.9Å; W320-L451 HydrophobicContact CH2-CG 4.4Å; W320-L451 HydrophobicContact CZ2-CB 4.11Å; W320-L451 HydrophobicContact CZ3-CD1 4.41Å; L338-L451 HydrophobicContact CD1-CD1 4.25Å; L338-L451 HydrophobicContact CD2-CD1 4.16Å; H447-L451 WeakPolarHBondContact O-CB 3.38Å; H447-L451 PolarHBondContact O-N 3.19Å; G448-L451 PolarHBondContact O-N 2.87Å; Y449-L451 PolarHBondContact O-N 3.1Å; L451-R453 VanDerWaalsContact C-N 3.33Å; L451-R453 PolarHBondContact O-N 3.43Å; L451-C454 PolarHBondContact O-N 3.19Å; L451-F455 PolarHBondContact O-N 2.8Å
452L78.7Confident75.6Confident23 Ų2344.9 Ų44.912%0.1222%0.22CC..Hα-helixtrans-66.7-33.6178.5-72.3170.2000112.1F368 R369 F372 G448 Y449 C454 F455F368-L452 HydrophobicContact CD1-CD1 4.4Å; F368-L452 HydrophobicContact CD1-CD2 4.29Å; F368-L452 HydrophobicContact CE1-CD1 3.91Å; F368-L452 HydrophobicContact CE1-CD2 4.32Å; R369-L452 VanDerWaalsContact CD-O 3.25Å; R369-L452 WeakPolarHBondContact CD-O 3.17Å; R369-L452 HydrophobicContact CG-CB 4.16Å; R369-L452 WeakPolarHBondContact CG-O 3.44Å; F372-L452 HydrophobicContact CB-CD1 4.03Å; F372-L452 HydrophobicContact CD1-CD1 3.51Å; F372-L452 HydrophobicContact CD2-CD1 4.06Å; F372-L452 HydrophobicContact CE1-CD1 3.87Å; F372-L452 HydrophobicContact CE2-CD1 4.37Å; F372-L452 HydrophobicContact CG-CD1 3.6Å; F372-L452 HydrophobicContact CZ-CD1 4.26Å; G448-L452 WeakPolarHBondContact O-CB 3.44Å; G448-L452 WeakPolarHBondContact O-CG 3.12Å; G448-L452 PolarHBondContact O-N 3.49Å; Y449-L452 PolarHBondContact O-N 2.8Å; L452-C454 VanDerWaalsContact C-N 3.32Å; L452-C454 PolarHBondContact O-N 3.2Å; L452-F455 PolarHBondContact O-N 2.94Å
453R76.7Confident76.8Confident61 Ų6144.4 Ų44.423%0.2322%0.215CC..Hα-helixtrans-64.6-32.8172.2-179.8-177.2173.4-176.11.8112.7V312 E316 M373 Y449 N450 L451V312-R453 HydrophobicContact CG1-CG 4.21Å; V312-R453 HydrophobicContact CG2-CG 3.84Å; E316-R453 IonicContact OE1-CZ 2.67Å; E316-R453 IonicContact OE1-NH2 2.82Å; E316-R453 PolarHBondContact OE1-NH2 3.27Å; E316-R453 IonicContact OE2-CZ 3.98Å; E316-R453 IonicContact OE2-NH2 3.52Å; E316-R453 PolarHBondContact OE2-NH2 3.45Å; M373-R453 HydrophobicContact CE-CB 3.94Å; M373-R453 HydrophobicContact CE-CG 4.09Å; M373-R453 HydrophobicContact SD-CB 3.97Å; Y449-R453 WeakPolarHBondContact O-CB 3.43Å; Y449-R453 PolarHBondContact O-N 3.38Å; N450-R453 PolarHBondContact O-N 2.93Å; L451-R453 VanDerWaalsContact C-N 3.33Å; L451-R453 PolarHBondContact O-N 3.43Å
454C80.6Confident77.9Confident2 Ų246.5 Ų46.51%0.01422%0.218CC..Hα-helixtrans-73.6-38.5177.9-1780000112.9C317 W320 L338 R339 N450 L451 L452 R456C317-C454 HydrophobicContact CB-CB 3.74Å; C317-C454 WeakPolarHBondContact CB-SG 3.21Å; C317-C454 WeakPolarHBondContact SG-CB 3.33Å; C317-C454 CovalentContact SG-SG 2.02Å; C317-C454 PolarHBondContact SG-SG 3.24Å; W320-C454 HydrophobicContact CZ3-CB 4.42Å; L338-C454 HydrophobicContact CD1-CB 4.42Å; R339-C454 WeakPolarHBondContact CG-O 3.14Å; R339-C454 PolarHBondContact NH1-O 2.87Å; N450-C454 PolarHBondContact O-N 3.44Å; L451-C454 PolarHBondContact O-N 3.19Å; L452-C454 VanDerWaalsContact C-N 3.32Å; L452-C454 PolarHBondContact O-N 3.2Å; C454-R456 PolarHBondContact O-N 3.4Å
455F80.9Confident79.2Confident39 Ų3947.6 Ų47.617%0.17123%0.226CC..  trans-60.2122.7-171.5-170.4-85.7000113.1L338 L365 L451 L452L338-F455 HydrophobicContact CD2-CD2 4.08Å; L365-F455 HydrophobicContact CD2-CD1 4.26Å; L365-F455 HydrophobicContact CD2-CE1 3.63Å; L365-F455 HydrophobicContact CD2-CE2 3.91Å; L365-F455 HydrophobicContact CD2-CZ 3.44Å; L365-F455 VanDerWaalsContact CD2-CZ 3.44Å; L365-F455 HydrophobicContact CG-CE1 4.3Å; L451-F455 PolarHBondContact O-N 2.8Å; L452-F455 PolarHBondContact O-N 2.94Å
456R81.3Confident80.1Confident51 Ų5148.1 Ų48.119%0.19223%0.228CC..  trans-92.9118.6172.7177.6174.4-80140.5-2.1109.9D314 L338 R339 C454 R459D314-R456 IonicContact OD1-CZ 3.03Å; D314-R456 IonicContact OD1-NH1 3.05Å; D314-R456 IonicContact OD1-NH2 3.56Å; D314-R456 PolarHBondContact OD1-NH2 2.93Å; L338-R456 PolarHBondContact O-N 2.94Å; R339-R456 PolarHBondContact O-NH1 3.2Å; C454-R456 PolarHBondContact O-N 3.4Å; R456-R459 HydrophobicContact CG-CG 4.28Å; R456-R459 VanDerWaalsContact O-CG 3.27Å; R456-R459 WeakPolarHBondContact O-CG 3.18Å; R456-R459 PolarHBondContact O-NE 3.21Å
457S73.6Confident81Confident8 Ų853.1 Ų53.16%0.05625%0.246CC..SBendtrans-81.1-52.5-179-51.10000112.6L362 E366 R459L362-S457 WeakPolarHBondContact CD1-O 3.4Å; E366-S457 VanDerWaalsContact OE2-CB 3.3Å; E366-S457 WeakPolarHBondContact OE2-CB 3.49Å; E366-S457 PolarHBondContact OE2-OG 3.38Å; S457-R459 PolarHBondContact O-N 2.89Å
458Y76.9Confident81.9Confident145 Ų14551.5 Ų51.557%0.56924%0.242SC*.  trans-77.994.4176.3-61.7-69.7000111.8N359N359-Y458 HydrophobicContact CB-CD1 4.28Å; N359-Y458 HydrophobicContact CB-CE1 4.31Å
459R85.5Confident82.8Confident16 Ų1650.7 Ų50.76%0.0623%0.234CC..  trans-108.2-28-176.6-61.3-177.2-173.1-158.46.3115.2L337 L338 G340 I342 R456 S457L337-R459 VanDerWaalsContact O-CZ 3.26Å; L337-R459 PolarHBondContact O-NH1 3.22Å; L337-R459 PolarHBondContact O-NH2 2.91Å; L338-R459 PolarHBondContact O-NH2 2.65Å; L338-R459 VanDerWaalsContact O-NH2 3.08Å; G340-R459 WeakPolarHBondContact O-CD 3.17Å; I342-R459 HydrophobicContact CD1-CB 4.13Å; I342-R459 HydrophobicContact CG1-CB 4.43Å; I342-R459 PolarHBondContact N-O 3.2Å; R456-R459 HydrophobicContact CG-CG 4.28Å; R456-R459 VanDerWaalsContact O-CG 3.27Å; R456-R459 WeakPolarHBondContact O-CG 3.18Å; R456-R459 PolarHBondContact O-NE 3.21Å; S457-R459 PolarHBondContact O-N 2.89Å
460F87.2Confident83.3Confident23 Ų2351.9 Ų51.910%0.10124%0.241CC..EExtended strand (participates in β ladder)trans-76131.7-174.2-66.4-89000111.6I342 V344 I355 W358 L362 I486I342-F460 HydrophobicContact CB-CD1 3.9Å; I342-F460 HydrophobicContact CB-CE1 4.22Å; I342-F460 HydrophobicContact CB-CG 4.41Å; I342-F460 HydrophobicContact CD1-CD1 4.1Å; I342-F460 HydrophobicContact CD1-CD2 4.42Å; I342-F460 HydrophobicContact CD1-CE1 3.71Å; I342-F460 HydrophobicContact CD1-CE2 4.06Å; I342-F460 HydrophobicContact CD1-CG 4.44Å; I342-F460 HydrophobicContact CD1-CZ 3.69Å; I342-F460 HydrophobicContact CG2-CD1 3.6Å; I342-F460 HydrophobicContact CG2-CE1 3.74Å; I342-F460 CarbonylContact O-C 3.58Å; I342-F460 WeakPolarHBondContact O-CA 3.36Å; V344-F460 HydrophobicContact CG2-CD1 4.11Å; I355-F460 HydrophobicContact CG1-CB 4.41Å; I355-F460 HydrophobicContact CG2-CB 3.8Å; W358-F460 HydrophobicContact CB-CD2 4.16Å; W358-F460 HydrophobicContact CB-CE1 4.28Å; W358-F460 HydrophobicContact CB-CE2 3.76Å; W358-F460 HydrophobicContact CB-CZ 3.83Å; W358-F460 HydrophobicContact CD2-CE1 4.12Å; W358-F460 HydrophobicContact CD2-CZ 4.41Å; W358-F460 AromaticContact CE3-CD1 3.72Å; W358-F460 HydrophobicContact CE3-CD1 3.72Å; W358-F460 AromaticContact CE3-CE1 3.63Å; W358-F460 HydrophobicContact CE3-CE1 3.63Å; W358-F460 HydrophobicContact CE3-CG 4.46Å; W358-F460 HydrophobicContact CE3-CZ 4.31Å; W358-F460 HydrophobicContact CG-CE1 4.43Å; W358-F460 HydrophobicContact CG-CZ 4.25Å; W358-F460 HydrophobicContact CZ3-CD1 4.31Å; W358-F460 HydrophobicContact CZ3-CE1 4.29Å; L362-F460 HydrophobicContact CD1-CE2 4.3Å; F460-I486 HydrophobicContact CE1-CD1 4.18Å
461R87.3Confident83.7Confident121 Ų12155.2 Ų55.246%0.45726%0.255SS..EExtended strand (participates in β ladder)trans-133.9131.3177.6-68.5-177.1170.1-170.4-3.1110.5I342 L343 V344I342-R461 PolarHBondContact O-N 3.07Å; L343-R461 CarbonylContact C-O 3.59Å; L343-R461 WeakPolarHBondContact CA-O 3.42Å; L343-R461 HydrophobicContact CD2-CB 4.11Å; V344-R461 PolarHBondContact N-O 3.07Å
462M88.3Confident84.1Confident84 Ų8457.1 Ų57.141%0.41426%0.263SS..EExtended strand (participates in β ladder)trans-76.3144.1173.1-70.8-179.5-75.900111.4V344 K352 I355V344-M462 CarbonylContact O-C 3.51Å; V344-M462 WeakPolarHBondContact O-CA 3.33Å; K352-M462 HydrophobicContact CB-CE 4.31Å; K352-M462 HydrophobicContact CB-SD 3.86Å; K352-M462 HydrophobicContact CD-CE 4.32Å; K352-M462 HydrophobicContact CG-CE 3.99Å; K352-M462 HydrophobicContact CG-SD 4.21Å; I355-M462 HydrophobicContact CD1-CG 3.3Å; I355-M462 HydrophobicContact CD1-SD 4.21Å
463V89Confident84.4Confident5 Ų556.1 Ų56.13%0.0326%0.257CS..  trans-137.9141.7174.6-170.40000109L343 V344 S345 S347 T465 A468 M469L343-V463 HydrophobicContact CB-CG2 4.1Å; L343-V463 HydrophobicContact CD2-CG2 4.16Å; L343-V463 HydrophobicContact CG-CG2 4.49Å; V344-V463 PolarHBondContact O-N 2.92Å; S345-V463 WeakPolarHBondContact CA-O 3.33Å; S347-V463 PolarHBondContact N-O 3.14Å; V463-T465 PolarHBondContact O-N 3.43Å; V463-A468 HydrophobicContact CG1-CB 3.68Å; V463-M469 HydrophobicContact CB-CB 4.35Å; V463-M469 HydrophobicContact CG1-CB 4.21Å
464D86.6Confident84.5Confident82 Ų8255.8 Ų55.844%0.43926%0.262SS..SBendtrans-69-31.3-168.3-95.328.8000115.8S347 K493S347-D464 WeakPolarHBondContact CB-OD1 3.43Å; S347-D464 WeakPolarHBondContact OG-CA 3.24Å; S347-D464 VanDerWaalsContact OG-CG 3.28Å; S347-D464 PolarHBondContact OG-OD1 3.06Å; D464-K493 IonicContact OD2-NZ 3.6Å; D464-K493 PolarHBondContact OD2-NZ 3.26Å
465T88.4Confident84.6Confident67 Ų6758.9 Ų58.941%0.41128%0.283SS..SBendtrans-147157.7-176.262.80000110.9S345 V463 K467 A468 M469S345-T465 WeakPolarHBondContact OG-CA 3.18Å; V463-T465 PolarHBondContact O-N 3.43Å; T465-K467 VanDerWaalsContact C-N 3.26Å; T465-K467 PolarHBondContact O-N 2.94Å; T465-A468 PolarHBondContact O-N 3.29Å; T465-A468 WeakPolarHBondContact OG1-CB 3.23Å; T465-A468 PolarHBondContact OG1-N 3.24Å; T465-A468 VanDerWaalsContact OG1-N 3.13Å; T465-M469 PolarHBondContact O-N 2.92Å
466E88Confident84.7Confident55 Ų5558 Ų5826%0.25728%0.28SS..Hα-helixtrans-55.3-43.1173.5-177.3162.9-146.300110.7S345 M469 E470 V487 K505 R507S345-E466 PolarHBondContact OG-N 3.36Å; E466-M469 VanDerWaalsContact O-CB 3.3Å; E466-M469 WeakPolarHBondContact O-CB 3.41Å; E466-M469 PolarHBondContact O-N 2.89Å; E466-E470 WeakPolarHBondContact O-CG 3.46Å; E466-E470 PolarHBondContact O-N 2.82Å; E466-V487 HydrophobicContact CB-CG1 4.16Å; E466-V487 HydrophobicContact CB-CG2 4.4Å; E466-V487 HydrophobicContact CG-CG1 4.16Å; E466-V487 HydrophobicContact CG-CG2 3.94Å; E466-K505 VanDerWaalsContact CD-NZ 3.28Å; E466-K505 IonicContact OE1-NZ 3.93Å; E466-K505 PolarHBondContact OE1-NZ 2.99Å; E466-K505 IonicContact OE2-NZ 2.63Å; E466-K505 PolarHBondContact OE2-NZ 3.15Å; E466-R507 VanDerWaalsContact CD-NH2 3.26Å; E466-R507 IonicContact OE1-CZ 3.39Å; E466-R507 IonicContact OE1-NE 3.8Å; E466-R507 PolarHBondContact OE1-NE 2.77Å; E466-R507 IonicContact OE1-NH2 3.47Å; E466-R507 PolarHBondContact OE1-NH2 3.39Å
467K86.7Confident84.5Confident135 Ų13557 Ų5759%0.58728%0.281SS*.Hα-helixtrans-61.4-47.4177.2-167.8-175.3-179.4-153.50113.4T465 M469 E470 E471T465-K467 VanDerWaalsContact C-N 3.26Å; T465-K467 PolarHBondContact O-N 2.94Å; K467-M469 PolarHBondContact O-N 3.11Å; K467-E470 WeakPolarHBondContact O-CA 3.48Å; K467-E470 WeakPolarHBondContact O-CB 3.39Å; K467-E470 PolarHBondContact O-N 3.28Å; K467-E471 WeakPolarHBondContact CE-OE1 3.4Å; K467-E471 IonicContact NZ-OE1 2.73Å; K467-E471 PolarHBondContact NZ-OE1 3.39Å; K467-E471 PolarHBondContact O-N 2.93Å
468A87.5Confident84.3Confident24 Ų2463.6 Ų63.620%0.19831%0.309CS..Hα-helixtrans-65.3-27.7177.900000111.9V463 T465 Q472V463-A468 HydrophobicContact CG1-CB 3.68Å; T465-A468 PolarHBondContact O-N 3.29Å; T465-A468 WeakPolarHBondContact OG1-CB 3.23Å; T465-A468 PolarHBondContact OG1-N 3.24Å; T465-A468 VanDerWaalsContact OG1-N 3.13Å; A468-Q472 WeakPolarHBondContact O-CG 3.29Å; A468-Q472 PolarHBondContact O-N 3.04Å; A468-Q472 VanDerWaalsContact O-N 3.12Å
469M88.6Confident84.2Confident0 Ų062.3 Ų62.30%031%0.306CS..Hα-helixtrans-67.1-39168.4171.9-164.6-6400111.2L343 V463 T465 E466 K467 Q472 A473 G485 I486 V487L343-M469 HydrophobicContact CB-CE 4.21Å; L343-M469 HydrophobicContact CB-CG 3.8Å; L343-M469 HydrophobicContact CB-SD 4.46Å; L343-M469 HydrophobicContact CD1-CG 3.9Å; V463-M469 HydrophobicContact CB-CB 4.35Å; V463-M469 HydrophobicContact CG1-CB 4.21Å; T465-M469 PolarHBondContact O-N 2.92Å; E466-M469 VanDerWaalsContact O-CB 3.3Å; E466-M469 WeakPolarHBondContact O-CB 3.41Å; E466-M469 PolarHBondContact O-N 2.89Å; K467-M469 PolarHBondContact O-N 3.11Å; M469-Q472 PolarHBondContact O-N 3.46Å; M469-A473 WeakPolarHBondContact O-CB 3.43Å; M469-A473 PolarHBondContact O-N 2.91Å; M469-G485 VanDerWaalsContact SD-CA 3.51Å; M469-I486 WeakPolarHBondContact CE-O 3.46Å; M469-V487 HydrophobicContact CE-CG2 3.73Å; M469-V487 HydrophobicContact SD-CG2 3.62Å
470E85.8Confident83.7Confident59 Ų5966 Ų6628%0.27632%0.32SS..Hα-helixtrans-63.2-45.8176.4-41.5-164.6129.400112.2E466 K467 Q472 A473 V474 R507 M1244E466-E470 WeakPolarHBondContact O-CG 3.46Å; E466-E470 PolarHBondContact O-N 2.82Å; K467-E470 WeakPolarHBondContact O-CA 3.48Å; K467-E470 WeakPolarHBondContact O-CB 3.39Å; K467-E470 PolarHBondContact O-N 3.28Å; E470-Q472 PolarHBondContact O-N 3Å; E470-A473 PolarHBondContact O-N 3.07Å; E470-V474 WeakPolarHBondContact O-CG2 3.45Å; E470-V474 PolarHBondContact O-N 3.07Å; E470-R507 IonicContact OE1-CZ 2.68Å; E470-R507 VanDerWaalsContact OE1-CZ 3.28Å; E470-R507 IonicContact OE1-NH1 3.32Å; E470-R507 PolarHBondContact OE1-NH1 3.27Å; E470-R507 IonicContact OE1-NH2 2.7Å; E470-R507 PolarHBondContact OE1-NH2 3.35Å; E470-M1244 VanDerWaalsContact CA-CE 3.41Å; E470-M1244 HydrophobicContact CB-CE 3.53Å; E470-M1244 HydrophobicContact CG-CE 3.57Å
471E84.4Confident83.5Confident116 Ų11666.5 Ų66.554%0.54232%0.323SS..Hα-helixtrans-61.1-43178.4-67.6169.2-174.800111.4K467 C475K467-E471 WeakPolarHBondContact CE-OE1 3.4Å; K467-E471 IonicContact NZ-OE1 2.73Å; K467-E471 PolarHBondContact NZ-OE1 3.39Å; K467-E471 PolarHBondContact O-N 2.93Å; E471-C475 PolarHBondContact O-N 3.44Å
472Q84.8Confident83.4Confident84 Ų8460.9 Ų60.939%0.39330%0.302SS..Hα-helixtrans-70.3-37.6173.7-71-175.529.200113.3L343 A468 M469 E470 C475 L476L343-Q472 HydrophobicContact CD1-CB 3.76Å; A468-Q472 WeakPolarHBondContact O-CG 3.29Å; A468-Q472 PolarHBondContact O-N 3.04Å; A468-Q472 VanDerWaalsContact O-N 3.12Å; M469-Q472 PolarHBondContact O-N 3.46Å; E470-Q472 PolarHBondContact O-N 3Å; Q472-C475 PolarHBondContact O-N 3.21Å; Q472-L476 WeakPolarHBondContact O-CB 3.42Å; Q472-L476 WeakPolarHBondContact O-CG 3.44Å; Q472-L476 PolarHBondContact O-N 3.44Å
473A84.7Confident83.4Confident1 Ų157.3 Ų57.31%0.00828%0.284CS..Hα-helixtrans-65.1-45.117900000111.6L343 M469 E470 C475 L476 S477 F482 M1244L343-A473 HydrophobicContact CD1-CB 4.26Å; M469-A473 WeakPolarHBondContact O-CB 3.43Å; M469-A473 PolarHBondContact O-N 2.91Å; E470-A473 PolarHBondContact O-N 3.07Å; A473-C475 VanDerWaalsContact C-N 3.29Å; A473-C475 PolarHBondContact O-N 3.26Å; A473-L476 PolarHBondContact O-N 2.89Å; A473-S477 WeakPolarHBondContact O-CB 3.44Å; A473-S477 PolarHBondContact O-N 3.17Å; A473-F482 HydrophobicContact CB-CD1 4.34Å; A473-F482 HydrophobicContact CB-CD2 3.64Å; A473-F482 HydrophobicContact CB-CE1 4.11Å; A473-F482 HydrophobicContact CB-CE2 3.36Å; A473-F482 HydrophobicContact CB-CG 4.12Å; A473-F482 HydrophobicContact CB-CZ 3.6Å; A473-M1244 HydrophobicContact CB-CE 3.94Å; A473-M1244 HydrophobicContact CB-CG 4.1Å; A473-M1244 HydrophobicContact CB-SD 3.98Å
474V79.1Confident83.5Confident54 Ų5457 Ų5733%0.32728%0.283SS..Hα-helixtrans-61.3-39.9175.2170.80000110.9E470 K478E470-V474 WeakPolarHBondContact O-CG2 3.45Å; E470-V474 PolarHBondContact O-N 3.07Å; V474-K478 PolarHBondContact O-N 2.78Å
475C81.8Confident83.7Confident67 Ų6753.1 Ų53.145%0.45326%0.262SS..Hα-helixtrans-63.3-53.2174.6-169.80000112E471 Q472 A473 S477 K478 F479E471-C475 PolarHBondContact O-N 3.44Å; Q472-C475 PolarHBondContact O-N 3.21Å; A473-C475 VanDerWaalsContact C-N 3.29Å; A473-C475 PolarHBondContact O-N 3.26Å; C475-S477 VanDerWaalsContact C-N 3.27Å; C475-S477 PolarHBondContact O-N 3.2Å; C475-K478 WeakPolarHBondContact O-CB 3.43Å; C475-K478 PolarHBondContact O-N 3.45Å; C475-F479 VanDerWaalsContact O-CD2 3.31Å; C475-F479 WeakPolarHBondContact O-CD2 3.42Å
476L82.5Confident83.9Confident22 Ų2250 Ų5012%0.11524%0.242CC..Hα-helixtrans-64.6-28.7179.4-71.3173.1000113.2F341 L343 Q472 A473 F479 R480 M481 F482F341-L476 HydrophobicContact CB-CD1 4.21Å; F341-L476 HydrophobicContact CD2-CD1 4.21Å; F341-L476 HydrophobicContact CD2-CD2 3.94Å; F341-L476 HydrophobicContact CE2-CD2 4.32Å; L343-L476 HydrophobicContact CD1-CD1 4.38Å; L343-L476 HydrophobicContact CD2-CD1 4.12Å; Q472-L476 WeakPolarHBondContact O-CB 3.42Å; Q472-L476 WeakPolarHBondContact O-CG 3.44Å; Q472-L476 PolarHBondContact O-N 3.44Å; A473-L476 PolarHBondContact O-N 2.89Å; L476-F479 PolarHBondContact O-N 3.28Å; L476-R480 PolarHBondContact O-N 3Å; L476-M481 HydrophobicContact CD2-CB 4.17Å; L476-M481 PolarHBondContact O-N 3.48Å; L476-F482 HydrophobicContact CB-CB 3.87Å; L476-F482 PolarHBondContact O-N 3.37Å
477S77Confident84.1Confident30 Ų3047.5 Ų47.521%0.2123%0.231CC..Hα-helixtrans-67.5-35.5177.8-169.20000112.2A473 C475 F479 R480A473-S477 WeakPolarHBondContact O-CB 3.44Å; A473-S477 PolarHBondContact O-N 3.17Å; C475-S477 VanDerWaalsContact C-N 3.27Å; C475-S477 PolarHBondContact O-N 3.2Å; S477-F479 PolarHBondContact O-N 3.27Å; S477-R480 PolarHBondContact O-N 2.97Å
478K70.9Confident84.4Confident146 Ų14641.3 Ų41.364%0.63520%0.204SC*.Hα-helixtrans-55.6-39.9172.4-68.5-179.7177.4-175.90112.2V474 C475 R480 I1247V474-K478 PolarHBondContact O-N 2.78Å; C475-K478 WeakPolarHBondContact O-CB 3.43Å; C475-K478 PolarHBondContact O-N 3.45Å; K478-R480 VanDerWaalsContact C-N 3.33Å; K478-I1247 HydrophobicContact CG-CD1 4.23Å
479F74Confident84.1Confident117 Ų11742.9 Ų42.951%0.51321%0.209SC..THydrogen-bonded Turntrans-89.611.4179.9-57.2-73.5000113.9C475 L476 S477 M481C475-F479 VanDerWaalsContact O-CD2 3.31Å; C475-F479 WeakPolarHBondContact O-CD2 3.42Å; L476-F479 PolarHBondContact O-N 3.28Å; S477-F479 PolarHBondContact O-N 3.27Å; F479-M481 HydrophobicContact CB-CE 3.66Å; F479-M481 HydrophobicContact CB-CG 4.37Å; F479-M481 HydrophobicContact CG-CE 4.24Å; F479-M481 PolarHBondContact O-N 3.01Å; F479-M481 VanDerWaalsContact O-N 3.13Å
480R75.8Confident83.8Confident94 Ų9447 Ų4736%0.35523%0.228SC..THydrogen-bonded Turntrans54.927.5-175-55.6173.5176.1154.3-2.6113.5T332 F335 T336 L476 S477 K478T332-R480 HydrophobicContact CG2-CB 4.26Å; T332-R480 HydrophobicContact CG2-CG 3.93Å; F335-R480 HydrophobicContact CD1-CB 4.04Å; F335-R480 WeakPolarHBondContact CD1-O 3.2Å; F335-R480 HydrophobicContact CE1-CB 4.26Å; T336-R480 WeakPolarHBondContact CG2-O 3.45Å; L476-R480 PolarHBondContact O-N 3Å; S477-R480 PolarHBondContact O-N 2.97Å; K478-R480 VanDerWaalsContact C-N 3.33Å
481M82Confident83.7Confident33 Ų3344.8 Ų44.816%0.16322%0.218CC..  trans-108.2-0.2-177.3-75.9-162.4-76.700114.1F335 G340 F341 L476 F479F335-M481 HydrophobicContact CE1-CG 4.38Å; G340-M481 CarbonylContact C-O 3.49Å; G340-M481 VanDerWaalsContact CA-O 3.29Å; G340-M481 WeakPolarHBondContact CA-O 3.37Å; F341-M481 HydrophobicContact CD2-CB 4.27Å; F341-M481 HydrophobicContact CE2-SD 3.97Å; F341-M481 PolarHBondContact N-O 3.22Å; L476-M481 HydrophobicContact CD2-CB 4.17Å; L476-M481 PolarHBondContact O-N 3.48Å; F479-M481 HydrophobicContact CB-CE 3.66Å; F479-M481 HydrophobicContact CB-CG 4.37Å; F479-M481 HydrophobicContact CG-CE 4.24Å; F479-M481 PolarHBondContact O-N 3.01Å; F479-M481 VanDerWaalsContact O-N 3.13Å
482F86.2Confident83.4Confident3 Ų344.9 Ų44.91%0.01322%0.222CC..EExtended strand (participates in β ladder)trans-86.5125.6172.4-177.1-112.1000110.9T336 L343 A473 L476 S484 G485 R507 A509 M1244T336-F482 WeakPolarHBondContact CG2-O 3.14Å; L343-F482 HydrophobicContact CD1-CD2 4.36Å; L343-F482 HydrophobicContact CD1-CE2 4.07Å; L343-F482 HydrophobicContact CG-CE2 4.26Å; A473-F482 HydrophobicContact CB-CD1 4.34Å; A473-F482 HydrophobicContact CB-CD2 3.64Å; A473-F482 HydrophobicContact CB-CE1 4.11Å; A473-F482 HydrophobicContact CB-CE2 3.36Å; A473-F482 HydrophobicContact CB-CG 4.12Å; A473-F482 HydrophobicContact CB-CZ 3.6Å; L476-F482 HydrophobicContact CB-CB 3.87Å; L476-F482 PolarHBondContact O-N 3.37Å; F482-S484 VanDerWaalsContact CE2-C 3.48Å; F482-S484 VanDerWaalsContact CZ-C 3.48Å; F482-G485 VanDerWaalsContact CZ-N 3.32Å; F482-R507 WeakPolarHBondContact CE1-O 3.37Å; F482-R507 VanDerWaalsContact CZ-O 3.26Å; F482-R507 WeakPolarHBondContact CZ-O 3.11Å; F482-A509 HydrophobicContact CD1-CB 4.36Å; F482-M1244 HydrophobicContact CE1-CB 3.91Å; F482-M1244 HydrophobicContact CE1-CG 3.84Å; F482-M1244 HydrophobicContact CE1-SD 4.16Å; F482-M1244 HydrophobicContact CZ-CG 4.17Å; F482-M1244 HydrophobicContact CZ-SD 3.89Å
483F87.8Confident83Confident9 Ų946.3 Ų46.34%0.03923%0.228CC..EExtended strand (participates in β ladder)trans-108.5-54.2175.5-177.5-113.6000111.6T336 L337 F341 I342 M508 L512 F541 L546T336-F483 WeakPolarHBondContact O-CD2 3.4Å; L337-F483 HydrophobicContact CB-CE2 4.48Å; L337-F483 HydrophobicContact CD1-CE2 3.79Å; L337-F483 HydrophobicContact CD1-CZ 3.85Å; F341-F483 WeakPolarHBondContact O-CB 3.32Å; F341-F483 PolarHBondContact O-N 3.42Å; F341-F483 VanDerWaalsContact O-N 3.08Å; I342-F483 HydrophobicContact CD1-CD1 4.33Å; I342-F483 HydrophobicContact CG1-CD1 3.85Å; F483-M508 HydrophobicContact CD1-CE 4.19Å; F483-M508 HydrophobicContact CD2-CE 3.94Å; F483-M508 HydrophobicContact CE1-CE 3.91Å; F483-M508 HydrophobicContact CE2-CE 3.63Å; F483-M508 HydrophobicContact CG-CE 4.21Å; F483-M508 HydrophobicContact CZ-CE 3.62Å; F483-M508 WeakPolarHBondContact O-CE 3.46Å; F483-L512 HydrophobicContact CD2-CD1 3.95Å; F483-L512 HydrophobicContact CE2-CD1 4.41Å; F483-F541 VanDerWaalsContact CE2-O 3.28Å; F483-F541 WeakPolarHBondContact CE2-O 3.26Å; F483-F541 VanDerWaalsContact CZ-O 3.25Å; F483-F541 WeakPolarHBondContact CZ-O 3.2Å; F483-L546 HydrophobicContact CD1-CD1 4.29Å; F483-L546 HydrophobicContact CE1-CD1 3.85Å; F483-L546 HydrophobicContact CE1-CD2 4.33Å; F483-L546 HydrophobicContact CE1-CG 4.17Å
484S90.6Very high82.7Confident0 Ų051 Ų510%026%0.26CS..EExtended strand (participates in β ladder)trans-155.3152175.3-164.10000113.1F341 I342 L343 F482 I506 R507 M508F341-S484 PolarHBondContact O-N 3.44Å; I342-S484 CarbonylContact C-O 3.32Å; I342-S484 VanDerWaalsContact CA-O 3.29Å; I342-S484 WeakPolarHBondContact CA-O 3.36Å; L343-S484 PolarHBondContact N-O 3.06Å; F482-S484 VanDerWaalsContact CE2-C 3.48Å; F482-S484 VanDerWaalsContact CZ-C 3.48Å; S484-I506 WeakPolarHBondContact OG-CG2 3.42Å; S484-R507 CarbonylContact C-O 3.58Å; S484-R507 WeakPolarHBondContact CA-O 3.08Å; S484-M508 WeakPolarHBondContact OG-CG 3.39Å
485G91Very high82.9Confident0 Ų049.8 Ų49.80%025%0.254CS..EExtended strand (participates in β ladder)trans-94.7153.9153.500000111.4L343 M469 F482 R507L343-G485 CarbonylContact O-C 3.48Å; L343-G485 VanDerWaalsContact O-CA 3.28Å; L343-G485 WeakPolarHBondContact O-CA 3.4Å; M469-G485 VanDerWaalsContact SD-CA 3.51Å; F482-G485 VanDerWaalsContact CZ-N 3.32Å; G485-R507 PolarHBondContact N-O 2.96Å; G485-R507 PolarHBondContact O-N 3.29Å
486I93.2Very high82.9Confident0 Ų053 Ų530%026%0.263CS..EExtended strand (participates in β ladder)trans-131.7113.7171.4-60.4168.1000107.4I342 L343 V344 S345 W358 F460 M469 F488 Y504 K505 I550I342-I486 HydrophobicContact CG2-CD1 3.59Å; I342-I486 HydrophobicContact CG2-CG1 4.12Å; L343-I486 PolarHBondContact O-N 3Å; V344-I486 CarbonylContact C-O 3.54Å; V344-I486 WeakPolarHBondContact CA-O 3.31Å; V344-I486 HydrophobicContact CG1-CB 4.21Å; V344-I486 HydrophobicContact CG1-CG2 4.35Å; V344-I486 HydrophobicContact CG2-CB 4.41Å; V344-I486 HydrophobicContact CG2-CD1 4.29Å; S345-I486 PolarHBondContact N-O 2.73Å; W358-I486 HydrophobicContact CZ3-CD1 4.41Å; F460-I486 HydrophobicContact CE1-CD1 4.18Å; M469-I486 WeakPolarHBondContact CE-O 3.46Å; I486-F488 HydrophobicContact CG2-CD2 4.46Å; I486-F488 HydrophobicContact CG2-CE2 3.85Å; I486-F488 HydrophobicContact CG2-CZ 4.17Å; I486-Y504 HydrophobicContact CG2-CD2 4.41Å; I486-K505 WeakPolarHBondContact CA-O 3.41Å; I486-I550 HydrophobicContact CD1-CD1 3.69Å; I486-I550 HydrophobicContact CD1-CG1 4.34Å; I486-I550 HydrophobicContact CG1-CD1 4.08Å; I486-I550 HydrophobicContact CG2-CD1 4.17Å
487V92.6Very high83Confident4 Ų455.2 Ų55.22%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-116121-177-177.90000110.3S345 E466 M469 Y504 K505S345-V487 WeakPolarHBondContact O-CA 3.35Å; E466-V487 HydrophobicContact CB-CG1 4.16Å; E466-V487 HydrophobicContact CB-CG2 4.4Å; E466-V487 HydrophobicContact CG-CG1 4.16Å; E466-V487 HydrophobicContact CG-CG2 3.94Å; M469-V487 HydrophobicContact CE-CG2 3.73Å; M469-V487 HydrophobicContact SD-CG2 3.62Å; V487-Y504 CarbonylContact O-C 3.49Å; V487-Y504 WeakPolarHBondContact O-CA 3.39Å; V487-Y504 WeakPolarHBondContact O-CB 3.35Å; V487-K505 HydrophobicContact CB-CB 4.24Å; V487-K505 HydrophobicContact CB-CG 4.41Å; V487-K505 PolarHBondContact N-O 3.29Å; V487-K505 PolarHBondContact O-N 3.11Å
488F91.9Very high83.3Confident5 Ų555 Ų552%0.02228%0.28CS..EExtended strand (participates in β ladder)trans-91.3115.4169.3-65.3-84.9000109.7V344 S345 V351 M354 W358 I486 Q490 L491 V502 Y504 I550 I554V344-F488 HydrophobicContact CG1-CE2 4.14Å; S345-F488 PolarHBondContact O-N 2.91Å; V351-F488 HydrophobicContact CG2-CD2 3.8Å; V351-F488 HydrophobicContact CG2-CE2 4.01Å; M354-F488 HydrophobicContact CE-CE1 4.41Å; M354-F488 HydrophobicContact CE-CZ 4.35Å; M354-F488 HydrophobicContact SD-CE1 4.36Å; M354-F488 HydrophobicContact SD-CE2 4.2Å; M354-F488 HydrophobicContact SD-CZ 3.74Å; W358-F488 HydrophobicContact CH2-CE2 4.17Å; W358-F488 HydrophobicContact CH2-CZ 4.02Å; I486-F488 HydrophobicContact CG2-CD2 4.46Å; I486-F488 HydrophobicContact CG2-CE2 3.85Å; I486-F488 HydrophobicContact CG2-CZ 4.17Å; F488-Q490 VanDerWaalsContact C-N 3.34Å; F488-Q490 PolarHBondContact O-N 3.29Å; F488-L491 HydrophobicContact CB-CB 4.33Å; F488-L491 HydrophobicContact CB-CD1 3.67Å; F488-L491 HydrophobicContact CB-CG 3.94Å; F488-L491 HydrophobicContact CD1-CD1 4.32Å; F488-L491 HydrophobicContact CD2-CD1 4.36Å; F488-L491 HydrophobicContact CG-CD1 3.87Å; F488-V502 HydrophobicContact CD1-CG1 4.18Å; F488-V502 HydrophobicContact CE1-CG1 4.31Å; F488-Y504 HydrophobicContact CE1-CG 4.26Å; F488-I550 HydrophobicContact CZ-CG2 4.44Å; F488-I554 HydrophobicContact CE1-CD1 4.36Å
489N82.4Confident84Confident57 Ų5750 Ų5031%0.30526%0.262SS..THydrogen-bonded Turntrans-73.5-25.9-170.8-69.5-12000113.5E503 K505N489-E503 PolarHBondContact N-O 3.2Å; N489-E503 PolarHBondContact ND2-OE1 3.21Å; N489-K505 WeakPolarHBondContact OD1-CE 3.5Å; N489-K505 PolarHBondContact OD1-NZ 3.32Å
490Q81.3Confident84.5Confident86 Ų8647.7 Ų47.740%0.40226%0.256SS..THydrogen-bonded Turntrans-1051.7-167.5-57.4175.614.600114.2F488 P499 A501F488-Q490 VanDerWaalsContact C-N 3.34Å; F488-Q490 PolarHBondContact O-N 3.29Å; Q490-P499 HydrophobicContact CB-CG 4.17Å; Q490-A501 PolarHBondContact NE2-O 3.38Å; Q490-A501 PolarHBondContact OE1-O 3.04Å; Q490-A501 VanDerWaalsContact OE1-O 3.07Å
491L84.2Confident85Confident13 Ų1345.5 Ų45.57%0.06826%0.258CS..  trans-98.3133.1-175.8-63.5-178.6000112P346 T348 I350 V351 F488 L498P346-L491 HydrophobicContact CG-CB 4.05Å; P346-L491 WeakPolarHBondContact CG-O 3.49Å; T348-L491 HydrophobicContact CG2-CB 4.22Å; I350-L491 HydrophobicContact CG2-CD1 3.86Å; I350-L491 HydrophobicContact CG2-CD2 4.3Å; V351-L491 HydrophobicContact CG2-CD1 3.83Å; F488-L491 HydrophobicContact CB-CB 4.33Å; F488-L491 HydrophobicContact CB-CD1 3.67Å; F488-L491 HydrophobicContact CB-CG 3.94Å; F488-L491 HydrophobicContact CD1-CD1 4.32Å; F488-L491 HydrophobicContact CD2-CD1 4.36Å; F488-L491 HydrophobicContact CG-CD1 3.87Å; L491-L498 HydrophobicContact CD1-CD2 4.43Å; L491-L498 HydrophobicContact CD2-CD2 4.44Å
492N78.7Confident85.3Confident117 Ų11744.1 Ų44.163%0.62625%0.251SS*.  trans-98161.1171.4-79.7-41.5000110.4T348 S494 S495T348-N492 WeakPolarHBondContact CG2-O 3.49Å; N492-S494 PolarHBondContact O-N 2.75Å; N492-S495 PolarHBondContact N-OG 2.04Å; N492-S495 VanDerWaalsContact O-CB 3.31Å; N492-S495 WeakPolarHBondContact O-CB 3.27Å; N492-S495 PolarHBondContact O-N 3.23Å; N492-S495 PolarHBondContact O-OG 3.48Å
493K75Confident85.6Confident115 Ų11547 Ų4750%0.526%0.264SS..THydrogen-bonded Turntrans-52.8-27-179.8-72.1-166.9168.5-166.10114.4P349 D464P349-K493 WeakPolarHBondContact CD-O 3.18Å; D464-K493 IonicContact OD2-NZ 3.6Å; D464-K493 PolarHBondContact OD2-NZ 3.26Å
494S79.9Confident85.8Confident100 Ų10046.5 Ų46.570%0.69926%0.262SS*.THydrogen-bonded Turntrans-92.72.1177.949.60000115.4N492 E496N492-S494 PolarHBondContact O-N 2.75Å; S494-E496 PolarHBondContact O-N 3.15Å
495S82.3Confident85.9Confident27 Ų2747.9 Ų47.919%0.18927%0.268CS..  trans-70.1115-177-66.30000112.4I350 N492I350-S495 WeakPolarHBondContact CG2-O 3.37Å; I350-S495 PolarHBondContact N-O 3.09Å; N492-S495 PolarHBondContact N-OG 2.04Å; N492-S495 VanDerWaalsContact O-CB 3.31Å; N492-S495 WeakPolarHBondContact O-CB 3.27Å; N492-S495 PolarHBondContact O-N 3.23Å; N492-S495 PolarHBondContact O-OG 3.48Å
496E82.5Confident86Confident136 Ų13647.9 Ų47.964%0.63627%0.268SS*.  trans-94.2-16.9175.3-59.8-155.8152.800114.5P349 S494P349-E496 HydrophobicContact CB-CG 4.45Å; P349-E496 HydrophobicContact CG-CG 4.5Å; S494-E496 PolarHBondContact O-N 3.15Å
497A83.7Confident85.9Confident68 Ų6848.4 Ų48.456%0.56227%0.27SS*.SBendtrans-128.3168-179.100000111.3
498L84.2Confident85.7Confident26 Ų2648.2 Ų48.214%0.13627%0.269CS..  trans-90.5150.9173.1-71.2167.7000111.4I350 M354 L491 V502 I554 L557 L558I350-L498 HydrophobicContact CG1-CD2 4.46Å; I350-L498 HydrophobicContact CG1-CG 4.22Å; M354-L498 HydrophobicContact CE-CD1 3.71Å; M354-L498 HydrophobicContact CE-CD2 3.59Å; M354-L498 HydrophobicContact CE-CG 4.05Å; L491-L498 HydrophobicContact CD1-CD2 4.43Å; L491-L498 HydrophobicContact CD2-CD2 4.44Å; L498-V502 HydrophobicContact CB-CG2 4.06Å; L498-V502 HydrophobicContact CD1-CG2 4.3Å; L498-V502 HydrophobicContact CD2-CG1 4.34Å; L498-V502 HydrophobicContact CD2-CG2 4.11Å; L498-V502 HydrophobicContact CG-CG2 4.38Å; L498-I554 HydrophobicContact CD1-CG2 4.42Å; L498-L557 HydrophobicContact CD1-CB 3.75Å; L498-L557 HydrophobicContact CD1-CD1 3.92Å; L498-L558 HydrophobicContact CB-CD2 4.07Å
499P85.5Confident85.1Confident40 Ų4048.2 Ų48.226%0.2627%0.27SS..  trans-71.5156.6162.232-33.3000110.6Q490 A501 V502Q490-P499 HydrophobicContact CB-CG 4.17Å; P499-A501 VanDerWaalsContact C-N 3.3Å; P499-A501 PolarHBondContact O-N 2.9Å; P499-V502 HydrophobicContact CG-CG2 4.34Å; P499-V502 WeakPolarHBondContact O-CG2 3.47Å
500N84.5Confident84.7Confident69 Ų6946.5 Ų46.537%0.36926%0.261SS..SBendtrans-61.1-37-179.3-653.1000112.9D1234 Y1235 G1236N500-D1234 WeakPolarHBondContact CB-O 3.42Å; N500-Y1235 HydrophobicContact CB-CD1 3.65Å; N500-Y1235 HydrophobicContact CB-CD2 4.49Å; N500-Y1235 HydrophobicContact CB-CE1 3.75Å; N500-Y1235 HydrophobicContact CB-CG 4.06Å; N500-Y1235 VanDerWaalsContact CG-CE1 3.47Å; N500-Y1235 WeakPolarHBondContact O-CA 3.32Å; N500-G1236 PolarHBondContact O-N 3.36Å
501A86Confident84.4Confident48 Ų4843.8 Ų43.840%0.39725%0.248SC..EExtended strand (participates in β ladder)trans-107.180.3-179.700000111.3Q490 P499 E503 G1236Q490-A501 PolarHBondContact NE2-O 3.38Å; Q490-A501 PolarHBondContact OE1-O 3.04Å; Q490-A501 VanDerWaalsContact OE1-O 3.07Å; P499-A501 VanDerWaalsContact C-N 3.3Å; P499-A501 PolarHBondContact O-N 2.9Å; A501-E503 PolarHBondContact O-N 3.48Å; A501-G1236 CarbonylContact C-O 3.58Å; A501-G1236 WeakPolarHBondContact CA-O 3.47Å
502V88.5Confident84.3Confident4 Ų443.2 Ų43.22%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-75.5117.5-173.8-174.50000111.7F488 L498 P499 I554 L558 G1236 I1237 S1238F488-V502 HydrophobicContact CD1-CG1 4.18Å; F488-V502 HydrophobicContact CE1-CG1 4.31Å; L498-V502 HydrophobicContact CB-CG2 4.06Å; L498-V502 HydrophobicContact CD1-CG2 4.3Å; L498-V502 HydrophobicContact CD2-CG1 4.34Å; L498-V502 HydrophobicContact CD2-CG2 4.11Å; L498-V502 HydrophobicContact CG-CG2 4.38Å; P499-V502 HydrophobicContact CG-CG2 4.34Å; P499-V502 WeakPolarHBondContact O-CG2 3.47Å; V502-I554 HydrophobicContact CB-CD1 4.43Å; V502-I554 HydrophobicContact CB-CG2 4.15Å; V502-I554 HydrophobicContact CG1-CD1 3.84Å; V502-I554 HydrophobicContact CG1-CG1 4.4Å; V502-I554 HydrophobicContact CG2-CG2 3.95Å; V502-L558 HydrophobicContact CG2-CD1 4.18Å; V502-G1236 PolarHBondContact N-O 3.36Å; V502-I1237 WeakPolarHBondContact O-CA 2.78Å; V502-S1238 PolarHBondContact O-N 2.87Å
503E91.1Very high84.6Confident62 Ų6237.6 Ų37.629%0.2922%0.215SC..EExtended strand (participates in β ladder)trans-107.8125.5172.9-171.6-163.8146.100111.2N489 A501 I1240N489-E503 PolarHBondContact N-O 3.2Å; N489-E503 PolarHBondContact ND2-OE1 3.21Å; A501-E503 PolarHBondContact O-N 3.48Å; E503-I1240 HydrophobicContact CG-CD1 4.11Å; E503-I1240 VanDerWaalsContact OE1-CD1 3.31Å; E503-I1240 WeakPolarHBondContact OE1-CD1 3.22Å
504Y93.3Very high84.9Confident0 Ų032.4 Ų32.40%019%0.193CC..EExtended strand (participates in β ladder)trans-138.4145.4176.474.3-86.9000113.6I486 V487 F488 I506 I550 D551 I554 I1237 S1238 V1239 I1240I486-Y504 HydrophobicContact CG2-CD2 4.41Å; V487-Y504 CarbonylContact O-C 3.49Å; V487-Y504 WeakPolarHBondContact O-CA 3.39Å; V487-Y504 WeakPolarHBondContact O-CB 3.35Å; F488-Y504 HydrophobicContact CE1-CG 4.26Å; Y504-I506 HydrophobicContact CD2-CG1 4.07Å; Y504-I506 HydrophobicContact CE2-CD1 3.92Å; Y504-I506 HydrophobicContact CE2-CG1 3.66Å; Y504-I550 HydrophobicContact CD1-CG2 4.16Å; Y504-I550 HydrophobicContact CD2-CD1 4.29Å; Y504-I550 HydrophobicContact CD2-CG2 4.07Å; Y504-I550 HydrophobicContact CE1-CG2 3.65Å; Y504-I550 HydrophobicContact CE2-CB 4.01Å; Y504-I550 HydrophobicContact CE2-CD1 3.62Å; Y504-I550 HydrophobicContact CE2-CG1 4.4Å; Y504-I550 HydrophobicContact CE2-CG2 3.56Å; Y504-I550 HydrophobicContact CG-CG2 4.35Å; Y504-D551 PolarHBondContact OH-OD1 2.98Å; Y504-I554 HydrophobicContact CD1-CD1 3.72Å; Y504-I554 HydrophobicContact CE1-CD1 3.57Å; Y504-I1237 HydrophobicContact CD1-CG2 4.46Å; Y504-I1237 HydrophobicContact CE1-CG2 3.82Å; Y504-S1238 PolarHBondContact N-O 2.78Å; Y504-V1239 HydrophobicContact CE1-CG2 3.7Å; Y504-V1239 HydrophobicContact CE2-CG1 3.93Å; Y504-V1239 WeakPolarHBondContact OH-CG2 3.2Å; Y504-I1240 PolarHBondContact O-N 2.8Å
505K92.8Very high84.7Confident29 Ų2931.4 Ų31.413%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-98.5129.9175.5-41.6-170.1-171.587.70110.5E466 I486 V487 N489 R507 I1240 H1242E466-K505 VanDerWaalsContact CD-NZ 3.28Å; E466-K505 IonicContact OE1-NZ 3.93Å; E466-K505 PolarHBondContact OE1-NZ 2.99Å; E466-K505 IonicContact OE2-NZ 2.63Å; E466-K505 PolarHBondContact OE2-NZ 3.15Å; I486-K505 WeakPolarHBondContact CA-O 3.41Å; V487-K505 HydrophobicContact CB-CB 4.24Å; V487-K505 HydrophobicContact CB-CG 4.41Å; V487-K505 PolarHBondContact N-O 3.29Å; V487-K505 PolarHBondContact O-N 3.11Å; N489-K505 WeakPolarHBondContact OD1-CE 3.5Å; N489-K505 PolarHBondContact OD1-NZ 3.32Å; K505-R507 HydrophobicContact CB-CG 4.35Å; K505-I1240 CarbonylContact C-O 3.4Å; K505-I1240 VanDerWaalsContact CA-O 3.32Å; K505-I1240 WeakPolarHBondContact CA-O 3.38Å; K505-I1240 HydrophobicContact CB-CB 4.44Å; K505-I1240 HydrophobicContact CG-CB 4.33Å; K505-H1242 HydrophobicContact CB-CB 4.39Å; K505-H1242 HydrophobicContact CD-CB 4.27Å
506I92.5Very high84.7Confident0 Ų033.8 Ų33.80%019%0.19CC..EExtended strand (participates in β ladder)trans-95.7118.8163.5-57.4180000107.6S484 Y504 M508 F543 L546 Q547 I550 V1239 I1240 H1242S484-I506 WeakPolarHBondContact OG-CG2 3.42Å; Y504-I506 HydrophobicContact CD2-CG1 4.07Å; Y504-I506 HydrophobicContact CE2-CD1 3.92Å; Y504-I506 HydrophobicContact CE2-CG1 3.66Å; I506-M508 HydrophobicContact CG2-CG 3.9Å; I506-F543 HydrophobicContact CB-CD2 4.31Å; I506-F543 HydrophobicContact CB-CE2 3.61Å; I506-F543 HydrophobicContact CB-CZ 3.91Å; I506-F543 HydrophobicContact CD1-CE1 4.04Å; I506-F543 HydrophobicContact CD1-CE2 4.22Å; I506-F543 HydrophobicContact CD1-CZ 3.87Å; I506-F543 HydrophobicContact CG1-CE2 4.46Å; I506-F543 HydrophobicContact CG1-CZ 4.35Å; I506-F543 HydrophobicContact CG2-CD2 3.77Å; I506-F543 HydrophobicContact CG2-CE2 3.58Å; I506-F543 HydrophobicContact CG2-CZ 4.27Å; I506-L546 HydrophobicContact CD1-CB 4.43Å; I506-L546 HydrophobicContact CG2-CD1 4.37Å; I506-Q547 HydrophobicContact CD1-CB 3.87Å; I506-I550 HydrophobicContact CD1-CD1 4.34Å; I506-I550 HydrophobicContact CG1-CD1 4.43Å; I506-V1239 HydrophobicContact CD1-CG1 3.94Å; I506-V1239 HydrophobicContact CG1-CG1 4.25Å; I506-I1240 PolarHBondContact N-O 3.32Å; I506-H1242 PolarHBondContact O-N 2.9Å
507R90.6Very high84.4Confident10 Ų1031.7 Ų31.74%0.03819%0.191CC..EExtended strand (participates in β ladder)trans-112.575.6-174.8-66.5177.1152.5-116.37.7111.6E466 E470 F482 S484 G485 K505 H1242 M1244E466-R507 VanDerWaalsContact CD-NH2 3.26Å; E466-R507 IonicContact OE1-CZ 3.39Å; E466-R507 IonicContact OE1-NE 3.8Å; E466-R507 PolarHBondContact OE1-NE 2.77Å; E466-R507 IonicContact OE1-NH2 3.47Å; E466-R507 PolarHBondContact OE1-NH2 3.39Å; E470-R507 IonicContact OE1-CZ 2.68Å; E470-R507 VanDerWaalsContact OE1-CZ 3.28Å; E470-R507 IonicContact OE1-NH1 3.32Å; E470-R507 PolarHBondContact OE1-NH1 3.27Å; E470-R507 IonicContact OE1-NH2 2.7Å; E470-R507 PolarHBondContact OE1-NH2 3.35Å; F482-R507 WeakPolarHBondContact CE1-O 3.37Å; F482-R507 VanDerWaalsContact CZ-O 3.26Å; F482-R507 WeakPolarHBondContact CZ-O 3.11Å; S484-R507 CarbonylContact C-O 3.58Å; S484-R507 WeakPolarHBondContact CA-O 3.08Å; G485-R507 PolarHBondContact N-O 2.96Å; G485-R507 PolarHBondContact O-N 3.29Å; K505-R507 HydrophobicContact CB-CG 4.35Å; R507-H1242 VanDerWaalsContact CA-O 3.26Å; R507-H1242 WeakPolarHBondContact CA-O 3.46Å; R507-H1242 WeakPolarHBondContact CB-O 3.44Å; R507-H1242 HydrophobicContact CG-CB 4.38Å; R507-H1242 VanDerWaalsContact CG-O 3.32Å; R507-H1242 WeakPolarHBondContact CG-O 3.47Å; R507-M1244 HydrophobicContact CB-SD 4.01Å; R507-M1244 VanDerWaalsContact NH1-CE 3.28Å
508M88.6Confident83.9Confident0 Ų032.8 Ų32.80%018%0.184CC..EExtended strand (participates in β ladder)trans-82.7164175-56.3-163.183.600112F483 S484 I506 L512 V513 F543 L546 P1243 M1244F483-M508 HydrophobicContact CD1-CE 4.19Å; F483-M508 HydrophobicContact CD2-CE 3.94Å; F483-M508 HydrophobicContact CE1-CE 3.91Å; F483-M508 HydrophobicContact CE2-CE 3.63Å; F483-M508 HydrophobicContact CG-CE 4.21Å; F483-M508 HydrophobicContact CZ-CE 3.62Å; F483-M508 WeakPolarHBondContact O-CE 3.46Å; S484-M508 WeakPolarHBondContact OG-CG 3.39Å; I506-M508 HydrophobicContact CG2-CG 3.9Å; M508-L512 HydrophobicContact CB-CB 4.31Å; M508-L512 HydrophobicContact CE-CB 4.16Å; M508-L512 HydrophobicContact CE-CD1 3.95Å; M508-V513 HydrophobicContact CB-CG1 3.93Å; M508-V513 HydrophobicContact CG-CG1 4.22Å; M508-V513 HydrophobicContact SD-CG1 3.97Å; M508-F543 HydrophobicContact CG-CD2 4.13Å; M508-F543 HydrophobicContact SD-CB 3.65Å; M508-F543 HydrophobicContact SD-CD2 3.83Å; M508-F543 HydrophobicContact SD-CG 4.22Å; M508-L546 HydrophobicContact CE-CD1 4.25Å; M508-L546 HydrophobicContact SD-CD1 4.46Å; M508-P1243 WeakPolarHBondContact O-CA 3.12Å; M508-M1244 PolarHBondContact O-N 3.1Å
509A79.3Confident83.6Confident5 Ų537.8 Ų37.84%0.04121%0.21CC..BIsolated β-bridgetrans-65.8145.5169.600000111.8F482 F511 L512F482-A509 HydrophobicContact CD1-CB 4.36Å; A509-F511 HydrophobicContact CB-CD1 3.84Å; A509-F511 HydrophobicContact CB-CE1 3.51Å; A509-F511 HydrophobicContact CB-CE2 4.48Å; A509-F511 HydrophobicContact CB-CG 4.45Å; A509-F511 HydrophobicContact CB-CZ 3.86Å; A509-F511 PolarHBondContact O-N 3.14Å; A509-L512 HydrophobicContact CB-CD1 4.3Å; A509-L512 PolarHBondContact O-N 3.03Å
510D75Confident83.1Confident22 Ų2239 Ų3912%0.11821%0.211CC..THydrogen-bonded Turntrans-53.2-26.2-179.2178.375.1000113.9Q1246 R1254D510-Q1246 HydrophobicContact CB-CG 4.41Å; D510-R1254 IonicContact OD1-NH2 2.72Å; D510-R1254 IonicContact OD2-CZ 2.66Å; D510-R1254 IonicContact OD2-NH1 3.39Å; D510-R1254 PolarHBondContact OD2-NH1 3.39Å; D510-R1254 IonicContact OD2-NH2 3.34Å; D510-R1254 PolarHBondContact OD2-NH2 3Å
511F74.9Confident82.4Confident29 Ų2937.7 Ų37.713%0.12720%0.204CC..THydrogen-bonded Turntrans-81.4-9.3177.264.9-99.8000115.1T332 Q333 T336 A509T332-F511 HydrophobicContact CG2-CE2 4Å; T332-F511 HydrophobicContact CG2-CZ 4.04Å; Q333-F511 HydrophobicContact CG-CD2 3.9Å; Q333-F511 HydrophobicContact CG-CE2 4.47Å; Q333-F511 PolarHBondContact NE2-O 3.46Å; T336-F511 HydrophobicContact CG2-CE2 4.23Å; T336-F511 HydrophobicContact CG2-CZ 4.14Å; A509-F511 HydrophobicContact CB-CD1 3.84Å; A509-F511 HydrophobicContact CB-CE1 3.51Å; A509-F511 HydrophobicContact CB-CE2 4.48Å; A509-F511 HydrophobicContact CB-CG 4.45Å; A509-F511 HydrophobicContact CB-CZ 3.86Å; A509-F511 PolarHBondContact O-N 3.14Å
512L80.9Confident81.3Confident0 Ų039.8 Ų39.80%022%0.216CC..THydrogen-bonded Turntrans-99.2-15.6178.5-63.7171.1000113.2Q333 F483 M508 A509 F541Q333-L512 HydrophobicContact CB-CD2 4.33Å; Q333-L512 HydrophobicContact CG-CD2 4.11Å; F483-L512 HydrophobicContact CD2-CD1 3.95Å; F483-L512 HydrophobicContact CE2-CD1 4.41Å; M508-L512 HydrophobicContact CB-CB 4.31Å; M508-L512 HydrophobicContact CE-CB 4.16Å; M508-L512 HydrophobicContact CE-CD1 3.95Å; A509-L512 HydrophobicContact CB-CD1 4.3Å; A509-L512 PolarHBondContact O-N 3.03Å; L512-F541 HydrophobicContact CB-CB 4.23Å; L512-F541 HydrophobicContact CD2-CB 3.99Å; L512-F541 HydrophobicContact CD2-CD1 4.41Å; L512-F541 HydrophobicContact CD2-CG 4.12Å; L512-F541 WeakPolarHBondContact O-CB 3.33Å; L512-F541 WeakPolarHBondContact O-CD2 3.37Å
513V85.3Confident80Confident0 Ų046.6 Ų46.60%025%0.245CC..SBendtrans-123.2169.9-178.7-71.60000112M508 K537 Y538 F543 P1243M508-V513 HydrophobicContact CB-CG1 3.93Å; M508-V513 HydrophobicContact CG-CG1 4.22Å; M508-V513 HydrophobicContact SD-CG1 3.97Å; V513-K537 VanDerWaalsContact C-CD 3.42Å; V513-K537 WeakPolarHBondContact O-CD 3.45Å; V513-K537 PolarHBondContact O-NZ 3.43Å; V513-Y538 HydrophobicContact CB-CE1 4.46Å; V513-Y538 HydrophobicContact CG1-CE1 4.26Å; V513-F543 HydrophobicContact CG1-CB 4.28Å; V513-F543 HydrophobicContact CG1-CD2 3.65Å; V513-F543 HydrophobicContact CG1-CE2 4.43Å; V513-F543 HydrophobicContact CG1-CG 4.3Å; V513-P1243 HydrophobicContact CG2-CB 4.33Å; V513-P1243 HydrophobicContact CG2-CG 4Å
514D82Confident78.6Confident6 Ų646.6 Ų46.63%0.03224%0.243CC..  trans-80.1153.2165.2-93.4-14.8000110.8T516 R529 K537 Y538 W1207D514-T516 PolarHBondContact O-N 2.95Å; D514-R529 IonicContact OD1-NH2 3.39Å; D514-R529 IonicContact OD2-CZ 3.35Å; D514-R529 IonicContact OD2-NH1 2.64Å; D514-R529 PolarHBondContact OD2-NH1 3.16Å; D514-R529 IonicContact OD2-NH2 2.79Å; D514-R529 PolarHBondContact OD2-NH2 2.56Å; D514-K537 WeakPolarHBondContact OD1-CD 3.32Å; D514-K537 VanDerWaalsContact OD1-CE 3.24Å; D514-K537 WeakPolarHBondContact OD1-CE 3.5Å; D514-K537 IonicContact OD1-NZ 2.97Å; D514-K537 PolarHBondContact OD1-NZ 3.15Å; D514-Y538 HydrophobicContact CB-CE2 3.85Å; D514-W1207 HydrophobicContact CB-CE3 3.97Å
515Q74.9Confident77.1Confident78 Ų7848.4 Ų48.436%0.36425%0.252SS..  trans-70.9120.1-173.5-6117860.700109.6S517 Q518 W1207 R1254Q515-S517 PolarHBondContact O-N 2.91Å; Q515-S517 VanDerWaalsContact O-N 3.09Å; Q515-Q518 PolarHBondContact O-N 3.44Å; Q515-Q518 VanDerWaalsContact O-N 3.16Å; Q515-W1207 HydrophobicContact CB-CZ3 4.29Å; Q515-R1254 VanDerWaalsContact CD-NH2 3.35Å
516T83Confident75.5Confident77 Ų7748.4 Ų48.447%0.47226%0.255SS..THydrogen-bonded Turntrans-69.4-5.4-177.2490000114.4D514 Q518 N1241 P1243D514-T516 PolarHBondContact O-N 2.95Å; T516-Q518 VanDerWaalsContact C-N 3.27Å; T516-N1241 HydrophobicContact CG2-CB 4.16Å; T516-N1241 WeakPolarHBondContact CG2-ND2 3.1Å; T516-P1243 HydrophobicContact CG2-CG 3.89Å
517S76.9Confident74.3Confident93 Ų9352.6 Ų52.665%0.6527%0.271SS*.THydrogen-bonded Turntrans-73.9-12.5170.554.50000114.1Q515Q515-S517 PolarHBondContact O-N 2.91Å; Q515-S517 VanDerWaalsContact O-N 3.09Å
518Q72Confident73.3Confident90 Ų9053 Ų5342%0.42128%0.275SS..  trans-134.3128.2178-65.9-176.50.400110.6Q515 T516 W1207Q515-Q518 PolarHBondContact O-N 3.44Å; Q515-Q518 VanDerWaalsContact O-N 3.16Å; T516-Q518 VanDerWaalsContact C-N 3.27Å; Q518-W1207 HydrophobicContact CB-CD2 4.46Å; Q518-W1207 HydrophobicContact CB-CE3 3.95Å; Q518-W1207 HydrophobicContact CB-CH2 3.89Å; Q518-W1207 HydrophobicContact CB-CZ2 4.38Å; Q518-W1207 HydrophobicContact CB-CZ3 3.66Å; Q518-W1207 VanDerWaalsContact OE1-CH2 3.24Å
519I79Confident72.8Confident131 Ų13153.7 Ų53.767%0.67228%0.278SS*.SBendtrans-99.1-15.4178.461.5173.9000113.1G1206 W1207I519-G1206 CarbonylContact O-C 3.59Å; I519-G1206 WeakPolarHBondContact O-CA 3.15Å; I519-W1207 PolarHBondContact O-N 3.34Å
520K75.1Confident72.7Confident67 Ų6755.4 Ų55.429%0.29129%0.286SS..BIsolated β-bridgetrans-153.6164.117565.4172-177178.90108.8S522 E1121K520-S522 PolarHBondContact O-N 3.5Å; K520-E1121 IonicContact NZ-OE1 3.74Å; K520-E1121 PolarHBondContact NZ-OE1 2.82Å; K520-E1121 IonicContact NZ-OE2 3.41Å; K520-E1121 PolarHBondContact NZ-OE2 3.49Å
521D68.1Low72.7Confident40 Ų4058.8 Ų58.821%0.21430%0.297CS..  trans-58.8131.2170.7-72.724.9000110.6F523 W1207D521-F523 PolarHBondContact O-N 3.31Å; D521-W1207 PolarHBondContact OD1-NE1 3.35Å
522S64.1Low72.8Confident93 Ų9357.7 Ų57.765%0.6529%0.293SS*.SBendtrans-63-23.5-177.4179.90000113.9K520K520-S522 PolarHBondContact O-N 3.5Å
523F60.5Low72.6Confident147 Ų14758 Ų5865%0.64529%0.294SS*.SBendtrans-122.5122.7166.5-63.3-67.9000108D521 N525D521-F523 PolarHBondContact O-N 3.31Å; F523-N525 PolarHBondContact O-N 3.49Å
524W61.4Low72.1Confident61 Ų6160.3 Ų60.323%0.23131%0.306CS..  trans-59.9126.3-176.7-175.480.8000112.1P526 K584 M1114 F1124W524-P526 HydrophobicContact CH2-CB 3.66Å; W524-P526 HydrophobicContact CH2-CG 4.4Å; W524-P526 HydrophobicContact CZ2-CB 4.28Å; W524-P526 HydrophobicContact CZ3-CB 3.82Å; W524-P526 HydrophobicContact CZ3-CG 4.04Å; W524-K584 PolarHBondContact O-NZ 3.14Å; W524-K584 VanDerWaalsContact O-NZ 3.09Å; W524-M1114 HydrophobicContact CD2-SD 4.39Å; W524-M1114 HydrophobicContact CH2-CB 3.81Å; W524-M1114 HydrophobicContact CH2-SD 4.25Å; W524-M1114 HydrophobicContact CZ2-CB 4.37Å; W524-M1114 HydrophobicContact CZ2-SD 3.84Å; W524-M1114 HydrophobicContact CZ3-CB 3.89Å; W524-F1124 HydrophobicContact CZ2-CE2 4.41Å; W524-F1124 AromaticContact NE1-CE2 3.88Å
525N62.8Low72.1Confident38 Ų3860.4 Ų60.420%0.20331%0.307CS..  trans-116.7112.4-176.7-1755.1000109F523 R527 Q1205F523-N525 PolarHBondContact O-N 3.49Å; N525-R527 PolarHBondContact O-N 2.98Å; N525-R527 WeakPolarHBondContact OD1-CB 3.38Å; N525-R527 PolarHBondContact OD1-N 3.04Å; N525-Q1205 PolarHBondContact O-NE2 2.96Å
526P58.7Low72.6Confident29 Ų2956.9 Ų56.919%0.18829%0.29CS..  trans-65.1-10.6-179.418.9-26.5000114.2W524 L579 L1115W524-P526 HydrophobicContact CH2-CB 3.66Å; W524-P526 HydrophobicContact CH2-CG 4.4Å; W524-P526 HydrophobicContact CZ2-CB 4.28Å; W524-P526 HydrophobicContact CZ3-CB 3.82Å; W524-P526 HydrophobicContact CZ3-CG 4.04Å; P526-L579 HydrophobicContact CB-CD1 4.11Å; P526-L579 HydrophobicContact CG-CD1 3.79Å; P526-L579 HydrophobicContact CG-CD2 3.97Å; P526-L1115 HydrophobicContact CG-CD2 4.46Å
527R67.1Low72.7Confident88 Ų8854.5 Ų54.533%0.33227%0.273SS..SBendtrans-65.6130.1173-174.7-137.3160.4104.410.5109.9N525 D530 L579 Q1205N525-R527 PolarHBondContact O-N 2.98Å; N525-R527 WeakPolarHBondContact OD1-CB 3.38Å; N525-R527 PolarHBondContact OD1-N 3.04Å; R527-D530 IonicContact CZ-OD1 3.16Å; R527-D530 IonicContact NE-OD1 2.7Å; R527-D530 PolarHBondContact NE-OD1 2.77Å; R527-D530 IonicContact NH2-OD1 2.68Å; R527-D530 PolarHBondContact NH2-OD1 2.69Å; R527-D530 IonicContact NH2-OD2 2.74Å; R527-L579 HydrophobicContact CB-CD1 3.73Å; R527-Q1205 PolarHBondContact O-NE2 3Å
528P69.1Low73.2Confident18 Ų1850.6 Ų50.612%0.11724%0.244CC..  trans-60.1145.6171.326.4-35.1000112.3D530 S574P528-D530 HydrophobicContact CB-CB 4.23Å; P528-D530 HydrophobicContact CG-CB 4.38Å; P528-D530 PolarHBondContact O-N 2.85Å; P528-D530 VanDerWaalsContact O-N 3.1Å; P528-S574 WeakPolarHBondContact CB-OG 3.45Å
529R78.5Confident73.8Confident16 Ų1648 Ų486%0.0623%0.234CC..  trans-8562.4173.3-76.1-162.967.8-1259.9110.2D514 D535 N1204 W1207D514-R529 IonicContact OD1-NH2 3.39Å; D514-R529 IonicContact OD2-CZ 3.35Å; D514-R529 IonicContact OD2-NH1 2.64Å; D514-R529 PolarHBondContact OD2-NH1 3.16Å; D514-R529 IonicContact OD2-NH2 2.79Å; D514-R529 PolarHBondContact OD2-NH2 2.56Å; R529-D535 HydrophobicContact CB-CB 3.99Å; R529-D535 IonicContact CZ-OD1 2.73Å; R529-D535 IonicContact NE-OD1 2.64Å; R529-D535 PolarHBondContact NE-OD1 2.93Å; R529-D535 IonicContact NH2-OD1 3.8Å; R529-D535 PolarHBondContact NH2-OD1 3.32Å; R529-D535 WeakPolarHBondContact O-CB 3.47Å; R529-N1204 HydrophobicContact CB-CB 4.11Å; R529-N1204 WeakPolarHBondContact CD-O 3.37Å; R529-N1204 PolarHBondContact NH1-O 2.82Å; R529-N1204 PolarHBondContact O-ND2 3.35Å; R529-W1207 VanDerWaalsContact NH1-CD1 3.29Å
530D77Confident74.1Confident40 Ų4042 Ų4221%0.21420%0.204CC..  trans-94.6-10.9-165.458.4-5.1000115.3N19 R527 P528 P532 L536N19-D530 PolarHBondContact ND2-O 3.36Å; R527-D530 IonicContact CZ-OD1 3.16Å; R527-D530 IonicContact NE-OD1 2.7Å; R527-D530 PolarHBondContact NE-OD1 2.77Å; R527-D530 IonicContact NH2-OD1 2.68Å; R527-D530 PolarHBondContact NH2-OD1 2.69Å; R527-D530 IonicContact NH2-OD2 2.74Å; P528-D530 HydrophobicContact CB-CB 4.23Å; P528-D530 HydrophobicContact CG-CB 4.38Å; P528-D530 PolarHBondContact O-N 2.85Å; P528-D530 VanDerWaalsContact O-N 3.1Å; D530-P532 WeakPolarHBondContact O-CD 3.4Å; D530-L536 WeakPolarHBondContact O-CD1 3.38Å
531R76.1Confident74.5Confident94 Ų9438.9 Ų38.936%0.35519%0.19SC..  trans-73.9122.9-168.3-65.9171.7-66.7173.25.3111.8I534 D535 L536R531-I534 HydrophobicContact CB-CB 4.11Å; R531-I534 PolarHBondContact O-N 3.4Å; R531-D535 WeakPolarHBondContact CB-OD2 3.03Å; R531-D535 IonicContact CZ-OD1 3.79Å; R531-D535 IonicContact CZ-OD2 3.61Å; R531-D535 VanDerWaalsContact CZ-OD2 3.22Å; R531-D535 IonicContact NE-OD2 3.9Å; R531-D535 PolarHBondContact NE-OD2 3.29Å; R531-D535 IonicContact NH2-OD1 3.13Å; R531-D535 PolarHBondContact NH2-OD1 2.97Å; R531-D535 IonicContact NH2-OD2 3.95Å; R531-D535 PolarHBondContact NH2-OD2 3.01Å; R531-D535 PolarHBondContact O-N 3.28Å; R531-L536 PolarHBondContact O-N 3.27Å
532P76Confident75.3Confident6 Ų637 Ų374%0.03918%0.18CC..THydrogen-bonded Turntrans-60.5149.8172.228.3-35.7000110.5V268 D530 I534 Y540V268-P532 HydrophobicContact CG1-CG 3.75Å; V268-P532 HydrophobicContact CG2-CG 4.1Å; D530-P532 WeakPolarHBondContact O-CD 3.4Å; P532-I534 PolarHBondContact O-N 3.11Å; P532-Y540 HydrophobicContact CB-CD2 4.19Å; P532-Y540 HydrophobicContact CB-CE1 4.25Å; P532-Y540 HydrophobicContact CB-CE2 3.53Å
533F77.5Confident76.5Confident7 Ų732.7 Ų32.73%0.03115%0.15CC..THydrogen-bonded Turntrans59.2-17.7-176.4-41-68.9000117.9L17 F265 V268 L330 Y540 F541L17-F533 HydrophobicContact CD2-CE1 4.38Å; L17-F533 HydrophobicContact CD2-CZ 3.85Å; F265-F533 AromaticContact CE2-CE2 3.9Å; F265-F533 HydrophobicContact CE2-CE2 3.9Å; F265-F533 HydrophobicContact CE2-CZ 4.16Å; F265-F533 HydrophobicContact CZ-CE2 4.38Å; F265-F533 HydrophobicContact CZ-CZ 4.49Å; V268-F533 HydrophobicContact CG1-CD2 4.44Å; L330-F533 HydrophobicContact CD1-CB 4.47Å; L330-F533 HydrophobicContact CD1-CD1 4.02Å; L330-F533 HydrophobicContact CD1-CE1 4.38Å; L330-F533 HydrophobicContact CD1-CG 4.09Å; F533-Y540 HydrophobicContact CD1-CD1 4.17Å; F533-Y540 HydrophobicContact CD1-CG 4.09Å; F533-Y540 AromaticContact CE1-CD1 3.83Å; F533-Y540 HydrophobicContact CE1-CD1 3.83Å; F533-Y540 HydrophobicContact CE1-CE1 4.47Å; F533-Y540 HydrophobicContact CE1-CG 4.23Å; F533-Y540 HydrophobicContact CZ-CD1 4.47Å; F533-F541 HydrophobicContact CB-CE1 4.5Å; F533-F541 HydrophobicContact CB-CZ 3.82Å; F533-F541 HydrophobicContact CD1-CE1 4.02Å; F533-F541 HydrophobicContact CD1-CZ 4.18Å; F533-F541 VanDerWaalsContact O-CE2 3.28Å; F533-F541 WeakPolarHBondContact O-CE2 3.42Å; F533-F541 WeakPolarHBondContact O-CZ 3.36Å
534I75.1Confident77.9Confident47 Ų4725.7 Ų25.724%0.24112%0.119CC..THydrogen-bonded Turntrans-104.1-54.8-177-61.5177.4000110.8R272 R531 P532 K537R272-I534 HydrophobicContact CB-CD1 4.3Å; R272-I534 HydrophobicContact CG-CD1 4.23Å; R531-I534 HydrophobicContact CB-CB 4.11Å; R531-I534 PolarHBondContact O-N 3.4Å; P532-I534 PolarHBondContact O-N 3.11Å; I534-K537 WeakPolarHBondContact O-CE 3.26Å
535D81.3Confident79.2Confident9 Ų924.1 Ų24.15%0.04811%0.114CC..THydrogen-bonded Turntrans-100.7-31.4-179.5-63.7-45.6000112.3R529 R531 K537 N1204R529-D535 HydrophobicContact CB-CB 3.99Å; R529-D535 IonicContact CZ-OD1 2.73Å; R529-D535 IonicContact NE-OD1 2.64Å; R529-D535 PolarHBondContact NE-OD1 2.93Å; R529-D535 IonicContact NH2-OD1 3.8Å; R529-D535 PolarHBondContact NH2-OD1 3.32Å; R529-D535 WeakPolarHBondContact O-CB 3.47Å; R531-D535 WeakPolarHBondContact CB-OD2 3.03Å; R531-D535 IonicContact CZ-OD1 3.79Å; R531-D535 IonicContact CZ-OD2 3.61Å; R531-D535 VanDerWaalsContact CZ-OD2 3.22Å; R531-D535 IonicContact NE-OD2 3.9Å; R531-D535 PolarHBondContact NE-OD2 3.29Å; R531-D535 IonicContact NH2-OD1 3.13Å; R531-D535 PolarHBondContact NH2-OD1 2.97Å; R531-D535 IonicContact NH2-OD2 3.95Å; R531-D535 PolarHBondContact NH2-OD2 3.01Å; R531-D535 PolarHBondContact O-N 3.28Å; D535-K537 VanDerWaalsContact C-N 3.28Å; D535-K537 PolarHBondContact O-N 3.4Å; D535-N1204 PolarHBondContact O-ND2 2.76Å
536L84.8Confident80.5Confident4 Ų422.7 Ų22.72%0.02111%0.106CC..  trans-90.935.8-175.9-69.1167.3000113.3D530 R531 Y538 T539 Y540 Q571 F1202 N1204D530-L536 WeakPolarHBondContact O-CD1 3.38Å; R531-L536 PolarHBondContact O-N 3.27Å; L536-Y538 PolarHBondContact O-N 3.27Å; L536-T539 WeakPolarHBondContact O-CB 3.35Å; L536-T539 PolarHBondContact O-N 3.07Å; L536-T539 VanDerWaalsContact O-N 3.1Å; L536-Y540 HydrophobicContact CB-CD2 3.69Å; L536-Y540 HydrophobicContact CB-CE2 3.7Å; L536-Y540 HydrophobicContact CD1-CE2 4.04Å; L536-Y540 WeakPolarHBondContact O-CD2 3.27Å; L536-Y540 PolarHBondContact O-N 3.05Å; L536-Q571 HydrophobicContact CD2-CG 4.45Å; L536-F1202 HydrophobicContact CD2-CE2 4.19Å; L536-F1202 HydrophobicContact CD2-CZ 4.12Å; L536-N1204 HydrophobicContact CD2-CB 4.28Å; L536-N1204 WeakPolarHBondContact CD2-ND2 3.37Å
537K86.1Confident82.1Confident27 Ų2721.3 Ų21.312%0.11710%0.097CC..Hα-helixtrans-58.8-44.1-170.1-64.6-171.2-169.3146.80114.3V513 D514 I534 D535 T539 Y540 F541V513-K537 VanDerWaalsContact C-CD 3.42Å; V513-K537 WeakPolarHBondContact O-CD 3.45Å; V513-K537 PolarHBondContact O-NZ 3.43Å; D514-K537 WeakPolarHBondContact OD1-CD 3.32Å; D514-K537 VanDerWaalsContact OD1-CE 3.24Å; D514-K537 WeakPolarHBondContact OD1-CE 3.5Å; D514-K537 IonicContact OD1-NZ 2.97Å; D514-K537 PolarHBondContact OD1-NZ 3.15Å; I534-K537 WeakPolarHBondContact O-CE 3.26Å; D535-K537 VanDerWaalsContact C-N 3.28Å; D535-K537 PolarHBondContact O-N 3.4Å; K537-T539 PolarHBondContact O-N 2.95Å; K537-Y540 PolarHBondContact O-N 3.12Å; K537-F541 HydrophobicContact CB-CD2 3.86Å; K537-F541 HydrophobicContact CB-CE2 4.25Å; K537-F541 HydrophobicContact CD-CE2 4.47Å; K537-F541 HydrophobicContact CG-CD2 4.04Å; K537-F541 HydrophobicContact CG-CE2 3.92Å; K537-F541 PolarHBondContact O-N 3.42Å
538Y87.6Confident83.2Confident10 Ų1017.2 Ų17.24%0.0398%0.082CC..Hα-helixtrans-56.7-32.5178.8-69.1-74.8000112.4V513 D514 L536 F543 S544 W1207 P1211 N1241V513-Y538 HydrophobicContact CB-CE1 4.46Å; V513-Y538 HydrophobicContact CG1-CE1 4.26Å; D514-Y538 HydrophobicContact CB-CE2 3.85Å; L536-Y538 PolarHBondContact O-N 3.27Å; Y538-F543 HydrophobicContact CD1-CB 3.79Å; Y538-F543 AromaticContact CD1-CD1 3.6Å; Y538-F543 HydrophobicContact CD1-CD1 3.6Å; Y538-F543 HydrophobicContact CD1-CD2 4.27Å; Y538-F543 HydrophobicContact CD1-CE1 4.28Å; Y538-F543 AromaticContact CD1-CG 3.61Å; Y538-F543 HydrophobicContact CD1-CG 3.61Å; Y538-F543 HydrophobicContact CE1-CD1 4.04Å; Y538-F543 HydrophobicContact CE1-CD2 4.21Å; Y538-F543 HydrophobicContact CE1-CE1 4.33Å; Y538-F543 HydrophobicContact CE1-CE2 4.46Å; Y538-F543 HydrophobicContact CE1-CG 4Å; Y538-S544 WeakPolarHBondContact O-CB 3.25Å; Y538-S544 PolarHBondContact O-N 2.93Å; Y538-S544 VanDerWaalsContact O-N 3.16Å; Y538-S544 PolarHBondContact O-OG 3.39Å; Y538-W1207 WeakPolarHBondContact CD2-O 3.29Å; Y538-W1207 WeakPolarHBondContact CE2-O 3.18Å; Y538-P1211 HydrophobicContact CD1-CG 3.49Å; Y538-P1211 VanDerWaalsContact CD1-CG 3.49Å; Y538-P1211 HydrophobicContact CD2-CG 4.36Å; Y538-P1211 HydrophobicContact CE1-CG 3.77Å; Y538-P1211 HydrophobicContact CG-CG 3.82Å; Y538-N1241 PolarHBondContact OH-ND2 3.09Å
539T84.6Confident84Confident35 Ų3517.6 Ų17.622%0.2158%0.083CC..Hα-helixtrans-79.1-51.1176.5-39.80000112.3L536 K537 F545 L1210L536-T539 WeakPolarHBondContact O-CB 3.35Å; L536-T539 PolarHBondContact O-N 3.07Å; L536-T539 VanDerWaalsContact O-N 3.1Å; K537-T539 PolarHBondContact O-N 2.95Å; T539-F545 WeakPolarHBondContact O-CZ 3.19Å; T539-L1210 WeakPolarHBondContact OG1-CD2 3.33Å
540Y84.6Confident84.6Confident7 Ų716.9 Ų16.93%0.0278%0.08CC..Hα-helixtrans-82.1-30.7-171.8-74.7-81000114.8Y13 T16 P532 F533 L536 K537Y13-Y540 AromaticContact CE2-CD1 3.88Å; Y13-Y540 HydrophobicContact CE2-CD1 3.88Å; T16-Y540 PolarHBondContact O-OH 3.45Å; P532-Y540 HydrophobicContact CB-CD2 4.19Å; P532-Y540 HydrophobicContact CB-CE1 4.25Å; P532-Y540 HydrophobicContact CB-CE2 3.53Å; F533-Y540 HydrophobicContact CD1-CD1 4.17Å; F533-Y540 HydrophobicContact CD1-CG 4.09Å; F533-Y540 AromaticContact CE1-CD1 3.83Å; F533-Y540 HydrophobicContact CE1-CD1 3.83Å; F533-Y540 HydrophobicContact CE1-CE1 4.47Å; F533-Y540 HydrophobicContact CE1-CG 4.23Å; F533-Y540 HydrophobicContact CZ-CD1 4.47Å; L536-Y540 HydrophobicContact CB-CD2 3.69Å; L536-Y540 HydrophobicContact CB-CE2 3.7Å; L536-Y540 HydrophobicContact CD1-CE2 4.04Å; L536-Y540 WeakPolarHBondContact O-CD2 3.27Å; L536-Y540 PolarHBondContact O-N 3.05Å; K537-Y540 PolarHBondContact O-N 3.12Å
541F83.9Confident85.1Confident0 Ų015.1 Ų15.10%07%0.071CC..SBendtrans-100.17.2-176.2-56.4-45.4000113.8Q333 F483 L512 F533 K537Q333-F541 HydrophobicContact CB-CD1 4.03Å; Q333-F541 HydrophobicContact CB-CE1 3.56Å; Q333-F541 HydrophobicContact CB-CZ 4.01Å; Q333-F541 HydrophobicContact CG-CD1 4.43Å; Q333-F541 HydrophobicContact CG-CE1 3.96Å; Q333-F541 HydrophobicContact CG-CE2 4.36Å; Q333-F541 HydrophobicContact CG-CZ 3.91Å; Q333-F541 VanDerWaalsContact NE2-CE2 3.31Å; Q333-F541 VanDerWaalsContact NE2-CZ 3.35Å; Q333-F541 VanDerWaalsContact OE1-CZ 3.3Å; F483-F541 VanDerWaalsContact CE2-O 3.28Å; F483-F541 WeakPolarHBondContact CE2-O 3.26Å; F483-F541 VanDerWaalsContact CZ-O 3.25Å; F483-F541 WeakPolarHBondContact CZ-O 3.2Å; L512-F541 HydrophobicContact CB-CB 4.23Å; L512-F541 HydrophobicContact CD2-CB 3.99Å; L512-F541 HydrophobicContact CD2-CD1 4.41Å; L512-F541 HydrophobicContact CD2-CG 4.12Å; L512-F541 WeakPolarHBondContact O-CB 3.33Å; L512-F541 WeakPolarHBondContact O-CD2 3.37Å; F533-F541 HydrophobicContact CB-CE1 4.5Å; F533-F541 HydrophobicContact CB-CZ 3.82Å; F533-F541 HydrophobicContact CD1-CE1 4.02Å; F533-F541 HydrophobicContact CD1-CZ 4.18Å; F533-F541 VanDerWaalsContact O-CE2 3.28Å; F533-F541 WeakPolarHBondContact O-CE2 3.42Å; F533-F541 WeakPolarHBondContact O-CZ 3.36Å; K537-F541 HydrophobicContact CB-CD2 3.86Å; K537-F541 HydrophobicContact CB-CE2 4.25Å; K537-F541 HydrophobicContact CD-CE2 4.47Å; K537-F541 HydrophobicContact CG-CD2 4.04Å; K537-F541 HydrophobicContact CG-CE2 3.92Å; K537-F541 PolarHBondContact O-N 3.42Å
542G83.6Confident85.6Confident1 Ų111.3 Ų11.31%0.016%0.057CC..SBendtrans82.611.8162.800000117.2S544 F545 L546G542-S544 VanDerWaalsContact C-N 3.29Å; G542-S544 PolarHBondContact O-N 2.98Å; G542-F545 WeakPolarHBondContact O-CB 3.44Å; G542-F545 PolarHBondContact O-N 2.96Å; G542-F545 VanDerWaalsContact O-N 3.09Å; G542-L546 PolarHBondContact O-N 3.43Å
543F91Very high86Confident2 Ų211.4 Ų11.41%0.0096%0.057CC..Hα-helixtrans-53.6-49.4166.5-176.2-78.1000110.7I506 M508 V513 Y538 F545 L546 Q547 P1211 N1241I506-F543 HydrophobicContact CB-CD2 4.31Å; I506-F543 HydrophobicContact CB-CE2 3.61Å; I506-F543 HydrophobicContact CB-CZ 3.91Å; I506-F543 HydrophobicContact CD1-CE1 4.04Å; I506-F543 HydrophobicContact CD1-CE2 4.22Å; I506-F543 HydrophobicContact CD1-CZ 3.87Å; I506-F543 HydrophobicContact CG1-CE2 4.46Å; I506-F543 HydrophobicContact CG1-CZ 4.35Å; I506-F543 HydrophobicContact CG2-CD2 3.77Å; I506-F543 HydrophobicContact CG2-CE2 3.58Å; I506-F543 HydrophobicContact CG2-CZ 4.27Å; M508-F543 HydrophobicContact CG-CD2 4.13Å; M508-F543 HydrophobicContact SD-CB 3.65Å; M508-F543 HydrophobicContact SD-CD2 3.83Å; M508-F543 HydrophobicContact SD-CG 4.22Å; V513-F543 HydrophobicContact CG1-CB 4.28Å; V513-F543 HydrophobicContact CG1-CD2 3.65Å; V513-F543 HydrophobicContact CG1-CE2 4.43Å; V513-F543 HydrophobicContact CG1-CG 4.3Å; Y538-F543 HydrophobicContact CD1-CB 3.79Å; Y538-F543 AromaticContact CD1-CD1 3.6Å; Y538-F543 HydrophobicContact CD1-CD1 3.6Å; Y538-F543 HydrophobicContact CD1-CD2 4.27Å; Y538-F543 HydrophobicContact CD1-CE1 4.28Å; Y538-F543 AromaticContact CD1-CG 3.61Å; Y538-F543 HydrophobicContact CD1-CG 3.61Å; Y538-F543 HydrophobicContact CE1-CD1 4.04Å; Y538-F543 HydrophobicContact CE1-CD2 4.21Å; Y538-F543 HydrophobicContact CE1-CE1 4.33Å; Y538-F543 HydrophobicContact CE1-CE2 4.46Å; Y538-F543 HydrophobicContact CE1-CG 4Å; F543-F545 VanDerWaalsContact C-N 3.27Å; F543-F545 PolarHBondContact O-N 3.32Å; F543-L546 PolarHBondContact O-N 2.98Å; F543-Q547 PolarHBondContact O-N 2.94Å; F543-P1211 HydrophobicContact CD1-CG 4.06Å; F543-P1211 HydrophobicContact CE1-CB 4Å; F543-P1211 HydrophobicContact CE1-CG 3.95Å; F543-N1241 HydrophobicContact CE2-CB 3.68Å; F543-N1241 HydrophobicContact CZ-CB 3.63Å
544S90Very high86.4Confident0 Ų011 Ų110%06%0.055CC..Hα-helixtrans-70.2-23.2178-630000113Y538 G542 D548 M1214Y538-S544 WeakPolarHBondContact O-CB 3.25Å; Y538-S544 PolarHBondContact O-N 2.93Å; Y538-S544 VanDerWaalsContact O-N 3.16Å; Y538-S544 PolarHBondContact O-OG 3.39Å; G542-S544 VanDerWaalsContact C-N 3.29Å; G542-S544 PolarHBondContact O-N 2.98Å; S544-D548 VanDerWaalsContact O-CB 3.24Å; S544-D548 WeakPolarHBondContact O-CB 3.3Å; S544-D548 PolarHBondContact O-N 3.28Å; S544-D548 VanDerWaalsContact O-N 3.07Å; S544-M1214 WeakPolarHBondContact O-CE 3.4Å
545F88.7Confident86.9Confident29 Ų299 Ų913%0.1275%0.045CC..Hα-helixtrans-71.1-41.3172.4-53.8-23.4000111.1M1 P2 M9 Y13 T539 G542 F543 I549M1-F545 HydrophobicContact CE-CE1 4.45Å; M1-F545 HydrophobicContact SD-CD1 3.56Å; M1-F545 VanDerWaalsContact SD-CD1 3.56Å; M1-F545 HydrophobicContact SD-CE1 3.64Å; P2-F545 HydrophobicContact CG-CB 3.82Å; P2-F545 HydrophobicContact CG-CD1 4.31Å; P2-F545 HydrophobicContact CG-CG 4.23Å; M9-F545 HydrophobicContact CE-CD1 3.99Å; M9-F545 HydrophobicContact CE-CD2 3.42Å; M9-F545 VanDerWaalsContact CE-CD2 3.42Å; M9-F545 HydrophobicContact CE-CE1 3.77Å; M9-F545 HydrophobicContact CE-CE2 3.19Å; M9-F545 HydrophobicContact CE-CG 3.85Å; M9-F545 HydrophobicContact CE-CZ 3.38Å; Y13-F545 HydrophobicContact CD2-CE2 4.38Å; Y13-F545 HydrophobicContact CD2-CZ 4.17Å; T539-F545 WeakPolarHBondContact O-CZ 3.19Å; G542-F545 WeakPolarHBondContact O-CB 3.44Å; G542-F545 PolarHBondContact O-N 2.96Å; G542-F545 VanDerWaalsContact O-N 3.09Å; F543-F545 VanDerWaalsContact C-N 3.27Å; F543-F545 PolarHBondContact O-N 3.32Å; F545-I549 WeakPolarHBondContact O-CB 2.98Å; F545-I549 WeakPolarHBondContact O-CD1 3.45Å; F545-I549 VanDerWaalsContact O-CG1 3.23Å; F545-I549 WeakPolarHBondContact O-CG1 3.39Å; F545-I549 PolarHBondContact O-N 3.04Å
546L89.2Confident86.9Confident8 Ų810.4 Ų10.44%0.0425%0.052CC..Hα-helixtrans-64.1-48.8173.3-68.5175000111.2I342 F483 I506 M508 G542 F543 D548 I549 I550I342-L546 HydrophobicContact CD1-CD2 3.71Å; I342-L546 HydrophobicContact CG1-CD2 4.36Å; F483-L546 HydrophobicContact CD1-CD1 4.29Å; F483-L546 HydrophobicContact CE1-CD1 3.85Å; F483-L546 HydrophobicContact CE1-CD2 4.33Å; F483-L546 HydrophobicContact CE1-CG 4.17Å; I506-L546 HydrophobicContact CD1-CB 4.43Å; I506-L546 HydrophobicContact CG2-CD1 4.37Å; M508-L546 HydrophobicContact CE-CD1 4.25Å; M508-L546 HydrophobicContact SD-CD1 4.46Å; G542-L546 PolarHBondContact O-N 3.43Å; F543-L546 PolarHBondContact O-N 2.98Å; L546-D548 PolarHBondContact O-N 2.87Å; L546-I549 PolarHBondContact O-N 2.83Å; L546-I550 HydrophobicContact CB-CD1 4.38Å; L546-I550 VanDerWaalsContact O-CD1 3.3Å; L546-I550 WeakPolarHBondContact O-CD1 3.45Å; L546-I550 WeakPolarHBondContact O-CG1 3.12Å; L546-I550 PolarHBondContact O-N 3.13Å
547Q91.7Very high86.8Confident0 Ų013.1 Ų13.10%07%0.066CC..Hα-helixtrans-58.4-47.6179.9-178.5-176.5-10.600111.9I506 F543 I549 I550 D551 P1211 M1214 V1239I506-Q547 HydrophobicContact CD1-CB 3.87Å; F543-Q547 PolarHBondContact O-N 2.94Å; Q547-I549 PolarHBondContact O-N 3.18Å; Q547-I550 PolarHBondContact O-N 3.29Å; Q547-D551 VanDerWaalsContact O-CB 3.29Å; Q547-D551 WeakPolarHBondContact O-CB 3.45Å; Q547-D551 VanDerWaalsContact O-CG 3.3Å; Q547-D551 PolarHBondContact O-N 3.12Å; Q547-P1211 PolarHBondContact NE2-O 2.82Å; Q547-P1211 VanDerWaalsContact NE2-O 3.1Å; Q547-M1214 HydrophobicContact CB-CE 3.58Å; Q547-M1214 VanDerWaalsContact CD-CE 3.41Å; Q547-M1214 HydrophobicContact CG-CE 3.58Å; Q547-V1239 HydrophobicContact CG-CG1 4.02Å; Q547-V1239 HydrophobicContact CG-CG2 4.15Å
548D89.9Confident86.8Confident2 Ų213.3 Ų13.31%0.0117%0.068CC..Hα-helixtrans-60.4-41.3177.6174.474.6000112.6M1 P2 S3 S544 L546 E552 M1214M1-D548 VanDerWaalsContact C-OD2 3.31Å; M1-D548 HydrophobicContact CB-CB 3.89Å; M1-D548 WeakPolarHBondContact CB-OD2 3.37Å; P2-D548 WeakPolarHBondContact CD-OD2 3.45Å; S3-D548 WeakPolarHBondContact CB-OD1 3.49Å; S3-D548 WeakPolarHBondContact CB-OD2 3.41Å; S3-D548 PolarHBondContact N-OD2 3.23Å; S3-D548 VanDerWaalsContact OG-CG 3.27Å; S3-D548 PolarHBondContact OG-OD1 3.39Å; S3-D548 PolarHBondContact OG-OD2 3.35Å; S3-D548 VanDerWaalsContact OG-OD2 3.13Å; S544-D548 VanDerWaalsContact O-CB 3.24Å; S544-D548 WeakPolarHBondContact O-CB 3.3Å; S544-D548 PolarHBondContact O-N 3.28Å; S544-D548 VanDerWaalsContact O-N 3.07Å; L546-D548 PolarHBondContact O-N 2.87Å; D548-E552 VanDerWaalsContact O-CB 3.29Å; D548-E552 WeakPolarHBondContact O-CB 3.18Å; D548-E552 PolarHBondContact O-N 3.48Å; D548-M1214 HydrophobicContact CB-CE 4.24Å; D548-M1214 HydrophobicContact CB-SD 4.24Å
549I87.7Confident86.2Confident25 Ų2513.6 Ų13.613%0.1287%0.073CC..Hα-helixtrans-67.6-33.4175.8-70.5169.5000112.5P2 W358 F545 L546 Q547 Q553P2-I549 HydrophobicContact CB-CD1 3.85Å; P2-I549 HydrophobicContact CB-CG1 3.74Å; P2-I549 HydrophobicContact CG-CD1 3.95Å; P2-I549 HydrophobicContact CG-CG1 4.13Å; W358-I549 HydrophobicContact CG-CG2 4.04Å; W358-I549 PolarHBondContact NE1-O 3.28Å; F545-I549 WeakPolarHBondContact O-CB 2.98Å; F545-I549 WeakPolarHBondContact O-CD1 3.45Å; F545-I549 VanDerWaalsContact O-CG1 3.23Å; F545-I549 WeakPolarHBondContact O-CG1 3.39Å; F545-I549 PolarHBondContact O-N 3.04Å; L546-I549 PolarHBondContact O-N 2.83Å; Q547-I549 PolarHBondContact O-N 3.18Å; I549-Q553 WeakPolarHBondContact O-CG 3.37Å
550I89.3Confident85.6Confident1 Ų118.9 Ų18.91%0.00510%0.1CC..Hα-helixtrans-79.6-49.6179.6-62.5158.3000110.3W358 I486 F488 Y504 I506 L546 Q547 E552 Q553 I554W358-I550 HydrophobicContact CH2-CG1 4.24Å; W358-I550 HydrophobicContact CZ2-CB 4.25Å; W358-I550 HydrophobicContact CZ2-CG1 3.75Å; W358-I550 HydrophobicContact CZ2-CG2 4.16Å; I486-I550 HydrophobicContact CD1-CD1 3.69Å; I486-I550 HydrophobicContact CD1-CG1 4.34Å; I486-I550 HydrophobicContact CG1-CD1 4.08Å; I486-I550 HydrophobicContact CG2-CD1 4.17Å; F488-I550 HydrophobicContact CZ-CG2 4.44Å; Y504-I550 HydrophobicContact CD1-CG2 4.16Å; Y504-I550 HydrophobicContact CD2-CD1 4.29Å; Y504-I550 HydrophobicContact CD2-CG2 4.07Å; Y504-I550 HydrophobicContact CE1-CG2 3.65Å; Y504-I550 HydrophobicContact CE2-CB 4.01Å; Y504-I550 HydrophobicContact CE2-CD1 3.62Å; Y504-I550 HydrophobicContact CE2-CG1 4.4Å; Y504-I550 HydrophobicContact CE2-CG2 3.56Å; Y504-I550 HydrophobicContact CG-CG2 4.35Å; I506-I550 HydrophobicContact CD1-CD1 4.34Å; I506-I550 HydrophobicContact CG1-CD1 4.43Å; L546-I550 HydrophobicContact CB-CD1 4.38Å; L546-I550 VanDerWaalsContact O-CD1 3.3Å; L546-I550 WeakPolarHBondContact O-CD1 3.45Å; L546-I550 WeakPolarHBondContact O-CG1 3.12Å; L546-I550 PolarHBondContact O-N 3.13Å; Q547-I550 PolarHBondContact O-N 3.29Å; I550-E552 VanDerWaalsContact C-N 3.32Å; I550-E552 PolarHBondContact O-N 2.98Å; I550-Q553 PolarHBondContact O-N 3.13Å; I550-Q553 VanDerWaalsContact O-N 3.12Å; I550-I554 HydrophobicContact CG2-CD1 3.65Å; I550-I554 HydrophobicContact CG2-CG1 4.28Å; I550-I554 WeakPolarHBondContact O-CG1 3.47Å; I550-I554 PolarHBondContact O-N 2.91Å
551D89.4Confident84.9Confident4 Ų420.4 Ų20.42%0.02111%0.108CC..Hα-helixtrans-56.6-43.9177.8-74.62000111.1Y504 Q547 Q553 I554 L555 S1218Y504-D551 PolarHBondContact OH-OD1 2.98Å; Q547-D551 VanDerWaalsContact O-CB 3.29Å; Q547-D551 WeakPolarHBondContact O-CB 3.45Å; Q547-D551 VanDerWaalsContact O-CG 3.3Å; Q547-D551 PolarHBondContact O-N 3.12Å; D551-Q553 PolarHBondContact O-N 3.25Å; D551-I554 PolarHBondContact O-N 3.01Å; D551-L555 WeakPolarHBondContact O-CB 3.48Å; D551-L555 PolarHBondContact O-N 3.44Å; D551-S1218 WeakPolarHBondContact CB-OG 3.46Å; D551-S1218 WeakPolarHBondContact OD2-CB 3.05Å; D551-S1218 PolarHBondContact OD2-OG 3.07Å
552E85.5Confident83.9Confident13 Ų1325.2 Ų25.26%0.06114%0.142CC..Hα-helixtrans-60.2-43.4176.7-166.8-168.3177.200111.6R361 D548 I550 L556R361-E552 IonicContact CZ-OE1 2.72Å; R361-E552 IonicContact CZ-OE2 3.86Å; R361-E552 IonicContact NH1-OE1 3.23Å; R361-E552 PolarHBondContact NH1-OE1 3.48Å; R361-E552 IonicContact NH1-OE2 3.33Å; R361-E552 PolarHBondContact NH1-OE2 2.99Å; R361-E552 VanDerWaalsContact NH2-CD 3.34Å; R361-E552 IonicContact NH2-OE1 3.1Å; R361-E552 PolarHBondContact NH2-OE1 3.12Å; R361-E552 IonicContact NH2-OE2 2.74Å; R361-E552 PolarHBondContact NH2-OE2 2.68Å; D548-E552 VanDerWaalsContact O-CB 3.29Å; D548-E552 WeakPolarHBondContact O-CB 3.18Å; D548-E552 PolarHBondContact O-N 3.48Å; I550-E552 VanDerWaalsContact C-N 3.32Å; I550-E552 PolarHBondContact O-N 2.98Å; E552-L556 HydrophobicContact CG-CD1 4.05Å; E552-L556 WeakPolarHBondContact O-CB 3.37Å; E552-L556 WeakPolarHBondContact O-CD1 3.22Å; E552-L556 WeakPolarHBondContact O-CG 3.5Å; E552-L556 PolarHBondContact O-N 3.08Å
553Q83.5Confident83.2Confident8 Ų828.1 Ų28.14%0.03716%0.16CC..Hα-helixtrans-74.2-31.9179.5-66.8-45.9-59.600113.7W358 I549 I550 D551 L556 L557W358-Q553 VanDerWaalsContact NE1-CG 3.3Å; I549-Q553 WeakPolarHBondContact O-CG 3.37Å; I550-Q553 PolarHBondContact O-N 3.13Å; I550-Q553 VanDerWaalsContact O-N 3.12Å; D551-Q553 PolarHBondContact O-N 3.25Å; Q553-L556 VanDerWaalsContact NE2-CD1 3.25Å; Q553-L557 WeakPolarHBondContact O-CB 3.34Å; Q553-L557 WeakPolarHBondContact O-CD1 3.16Å; Q553-L557 WeakPolarHBondContact O-CG 3.3Å; Q553-L557 PolarHBondContact O-N 2.97Å
554I87Confident81.9Confident0 Ų031.2 Ų31.20%018%0.18CC..Hα-helixtrans-64.7-47.2171.9-69.6168000109.6M354 F488 L498 V502 Y504 I550 D551 L556 L557 L558 I1237M354-I554 HydrophobicContact CE-CG1 4.25Å; F488-I554 HydrophobicContact CE1-CD1 4.36Å; L498-I554 HydrophobicContact CD1-CG2 4.42Å; V502-I554 HydrophobicContact CB-CD1 4.43Å; V502-I554 HydrophobicContact CB-CG2 4.15Å; V502-I554 HydrophobicContact CG1-CD1 3.84Å; V502-I554 HydrophobicContact CG1-CG1 4.4Å; V502-I554 HydrophobicContact CG2-CG2 3.95Å; Y504-I554 HydrophobicContact CD1-CD1 3.72Å; Y504-I554 HydrophobicContact CE1-CD1 3.57Å; I550-I554 HydrophobicContact CG2-CD1 3.65Å; I550-I554 HydrophobicContact CG2-CG1 4.28Å; I550-I554 WeakPolarHBondContact O-CG1 3.47Å; I550-I554 PolarHBondContact O-N 2.91Å; D551-I554 PolarHBondContact O-N 3.01Å; I554-L556 PolarHBondContact O-N 2.67Å; I554-L557 PolarHBondContact O-N 3.34Å; I554-L558 HydrophobicContact CG2-CD1 3.69Å; I554-L558 HydrophobicContact CG2-CG 4.19Å; I554-L558 WeakPolarHBondContact O-CG 3.27Å; I554-L558 PolarHBondContact O-N 3.17Å; I554-I1237 HydrophobicContact CB-CD1 4.13Å; I554-I1237 HydrophobicContact CD1-CG2 4.09Å; I554-I1237 HydrophobicContact CG2-CD1 3.66Å; I554-I1237 HydrophobicContact CG2-CG1 3.84Å
555L84.6Confident81.2Confident3 Ų331.4 Ų31.42%0.01618%0.182CC..Hα-helixtrans-64.5-42.7-179.4-165.1152.7000111.9D551 L557 L558 A559 R1221 L1222D551-L555 WeakPolarHBondContact O-CB 3.48Å; D551-L555 PolarHBondContact O-N 3.44Å; L555-L557 PolarHBondContact O-N 3.45Å; L555-L558 PolarHBondContact O-N 2.82Å; L555-A559 HydrophobicContact CD2-CB 4.36Å; L555-A559 WeakPolarHBondContact O-CB 3.15Å; L555-A559 PolarHBondContact O-N 3.35Å; L555-R1221 HydrophobicContact CD1-CB 3.83Å; L555-R1221 HydrophobicContact CD1-CG 3.72Å; L555-L1222 HydrophobicContact CD1-CB 4.23Å; L555-L1222 HydrophobicContact CG-CD1 4.42Å
556L82.7Confident80.6Confident39 Ų3930 Ų3020%0.20418%0.175CC..Hα-helixtrans-57.4-26170.9-85.1159.5000113.7E552 Q553 I554 D561E552-L556 HydrophobicContact CG-CD1 4.05Å; E552-L556 WeakPolarHBondContact O-CB 3.37Å; E552-L556 WeakPolarHBondContact O-CD1 3.22Å; E552-L556 WeakPolarHBondContact O-CG 3.5Å; E552-L556 PolarHBondContact O-N 3.08Å; Q553-L556 VanDerWaalsContact NE2-CD1 3.25Å; I554-L556 PolarHBondContact O-N 2.67Å; L556-D561 WeakPolarHBondContact CD2-O 3.25Å
557L83.2Confident80.3Confident62 Ų6230.6 Ų30.633%0.32518%0.178SC..Hα-helixtrans-94.8-29.2-179.5-73.7168.6000113.4I350 M354 L498 Q553 I554 L555I350-L557 HydrophobicContact CD1-CD1 4.12Å; I350-L557 HydrophobicContact CD1-CD2 4.42Å; M354-L557 HydrophobicContact CE-CD1 3.74Å; M354-L557 HydrophobicContact CG-CD1 4.07Å; L498-L557 HydrophobicContact CD1-CB 3.75Å; L498-L557 HydrophobicContact CD1-CD1 3.92Å; Q553-L557 WeakPolarHBondContact O-CB 3.34Å; Q553-L557 WeakPolarHBondContact O-CD1 3.16Å; Q553-L557 WeakPolarHBondContact O-CG 3.3Å; Q553-L557 PolarHBondContact O-N 2.97Å; I554-L557 PolarHBondContact O-N 3.34Å; L555-L557 PolarHBondContact O-N 3.45Å
558L84.3Confident79.8Confident30 Ų3032.9 Ų32.916%0.15719%0.187CC..Hα-helixtrans-85.3-43.4178.3-68.9177.8000112.8L498 V502 I554 L555 L1222L498-L558 HydrophobicContact CB-CD2 4.07Å; V502-L558 HydrophobicContact CG2-CD1 4.18Å; I554-L558 HydrophobicContact CG2-CD1 3.69Å; I554-L558 HydrophobicContact CG2-CG 4.19Å; I554-L558 WeakPolarHBondContact O-CG 3.27Å; I554-L558 PolarHBondContact O-N 3.17Å; L555-L558 PolarHBondContact O-N 2.82Å; L558-L1222 HydrophobicContact CB-CD1 3.97Å; L558-L1222 HydrophobicContact CD1-CD1 4.21Å; L558-L1222 HydrophobicContact CD1-CD2 3.93Å
559A76.3Confident79.5Confident17 Ų1734.2 Ų34.214%0.1420%0.195CC..SBendtrans-92-15.3-175.100000113.5L555 D561 L1222 V1225L555-A559 HydrophobicContact CD2-CB 4.36Å; L555-A559 WeakPolarHBondContact O-CB 3.15Å; L555-A559 PolarHBondContact O-N 3.35Å; A559-D561 HydrophobicContact CB-CB 4.38Å; A559-D561 PolarHBondContact O-N 2.96Å; A559-L1222 HydrophobicContact CB-CD1 4.49Å; A559-V1225 HydrophobicContact CB-CB 4.34Å; A559-V1225 HydrophobicContact CB-CG1 3.97Å
560N72.4Confident79.2Confident146 Ų14635.8 Ų35.878%0.78120%0.202SC*.  trans55.69.4-171.8-161.943.4000114.8
561D68.4Low78.8Confident38 Ų3838.1 Ų38.120%0.20321%0.213CC..  trans-77.6131.6174.4171.434.5000110.9L556 A559 T563 R1221 V1225L556-D561 WeakPolarHBondContact CD2-O 3.25Å; A559-D561 HydrophobicContact CB-CB 4.38Å; A559-D561 PolarHBondContact O-N 2.96Å; D561-T563 WeakPolarHBondContact OD1-CG2 3.08Å; D561-T563 PolarHBondContact OD1-N 3.38Å; D561-T563 PolarHBondContact OD1-OG1 3.01Å; D561-T563 PolarHBondContact OD2-OG1 2.74Å; D561-R1221 IonicContact OD2-NH2 3.76Å; D561-V1225 HydrophobicContact CB-CG1 3.46Å; D561-V1225 VanDerWaalsContact CB-CG1 3.46Å
562S63.7Low78.1Confident102 Ų10239.1 Ų39.171%0.71322%0.217SC*.  trans-101.67.7-179.656.20000114.2P564S562-P564 WeakPolarHBondContact O-CD 3.06Å
563T67.9Low77.4Confident61 Ų6140 Ų4037%0.37422%0.224SC..  trans-58.8123.1179.160.90000112.4D561 V565 R1221D561-T563 WeakPolarHBondContact OD1-CG2 3.08Å; D561-T563 PolarHBondContact OD1-N 3.38Å; D561-T563 PolarHBondContact OD1-OG1 3.01Å; D561-T563 PolarHBondContact OD2-OG1 2.74Å; T563-V565 PolarHBondContact O-N 3.42Å; T563-R1221 PolarHBondContact O-NH2 2.9Å; T563-R1221 PolarHBondContact OG1-NH2 3.5Å
564P65.3Low76.4Confident67 Ų6741.5 Ų41.544%0.43524%0.236SC..  trans-79.3113.5176.431.4-32.7000109.7S562 K1195S562-P564 WeakPolarHBondContact O-CD 3.06Å; P564-K1195 HydrophobicContact CB-CD 4.01Å; P564-K1195 HydrophobicContact CB-CG 4.15Å; P564-K1195 WeakPolarHBondContact O-CB 3.49Å
565V74Confident75.3Confident5 Ų542.5 Ų42.53%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-118.9136.3-177.5172.70000109.1S3 T563 Q1196 Y1198S3-V565 WeakPolarHBondContact CB-O 3.38Å; T563-V565 PolarHBondContact O-N 3.42Å; V565-Q1196 CarbonylContact C-O 3.52Å; V565-Q1196 WeakPolarHBondContact CA-O 3.29Å; V565-Y1198 HydrophobicContact CG1-CD2 3.43Å; V565-Y1198 VanDerWaalsContact CG1-CD2 3.43Å; V565-Y1198 HydrophobicContact CG1-CE2 3.53Å
566G77Confident74.3Confident0 Ų045.1 Ų45.10%026%0.26CS..EExtended strand (participates in β ladder)trans-105.3138.4174.800000112.6Q1196 N1197 Y1198G566-Q1196 PolarHBondContact N-O 3.36Å; G566-N1197 WeakPolarHBondContact O-CA 3.25Å; G566-Y1198 PolarHBondContact O-N 2.77Å
567I83.3Confident73.3Confident19 Ų1949 Ų4910%0.09728%0.277CS..EExtended strand (participates in β ladder)trans-104.5117.9174.4-59.7-178.6000110.6M1 S3 V569 I1200 L1217M1-I567 HydrophobicContact CB-CB 4.39Å; M1-I567 HydrophobicContact CG-CG2 4.45Å; M1-I567 PolarHBondContact N-O 3Å; S3-I567 PolarHBondContact OG-N 3.5Å; I567-V569 HydrophobicContact CG2-CG2 4.35Å; I567-I1200 HydrophobicContact CG2-CD1 3.62Å; I567-I1200 HydrophobicContact CG2-CG1 4.17Å; I567-L1217 HydrophobicContact CD1-CD2 4.05Å; I567-L1217 HydrophobicContact CG1-CD2 4.2Å; I567-L1217 HydrophobicContact CG2-CD2 4.15Å
568Y80.7Confident72Confident48 Ų4856.1 Ų56.119%0.18831%0.306CS..EExtended strand (participates in β ladder)trans-93.6152.8166.1-86.3-80.2000111.2I4 L36 L38 N1197 Y1198 I1200I4-Y568 HydrophobicContact CD1-CD2 4.14Å; I4-Y568 HydrophobicContact CD1-CE1 4.29Å; I4-Y568 HydrophobicContact CD1-CE2 3.28Å; I4-Y568 VanDerWaalsContact CD1-OH 3.29Å; I4-Y568 WeakPolarHBondContact CD1-OH 3.46Å; L36-Y568 HydrophobicContact CD2-CD2 4.47Å; L36-Y568 HydrophobicContact CD2-CE2 4.49Å; L38-Y568 WeakPolarHBondContact CD2-OH 3.25Å; L38-Y568 VanDerWaalsContact CG-OH 3.3Å; L38-Y568 WeakPolarHBondContact CG-OH 3.21Å; Y568-N1197 HydrophobicContact CD2-CB 4.19Å; Y568-N1197 HydrophobicContact CE2-CB 4.47Å; Y568-Y1198 PolarHBondContact N-O 2.91Å; Y568-I1200 PolarHBondContact O-N 2.78Å
569V84Confident70.6Confident31 Ų3158.6 Ų58.619%0.18832%0.318CS..EExtended strand (participates in β ladder)trans-139124.5-175.3161.80000108.4M1 I567 I1200 F1202 L1210M1-V569 HydrophobicContact CE-CB 3.97Å; M1-V569 HydrophobicContact CE-CG1 4.1Å; M1-V569 HydrophobicContact CE-CG2 3.64Å; M1-V569 HydrophobicContact CG-CG2 3.99Å; I567-V569 HydrophobicContact CG2-CG2 4.35Å; V569-I1200 HydrophobicContact CG2-CB 4.17Å; V569-I1200 HydrophobicContact CG2-CD1 4.09Å; V569-F1202 HydrophobicContact CG1-CD1 3.79Å; V569-F1202 HydrophobicContact CG1-CE1 3.4Å; V569-F1202 VanDerWaalsContact CG1-CE1 3.4Å; V569-F1202 HydrophobicContact CG1-CZ 4.32Å; V569-L1210 HydrophobicContact CB-CD1 4.24Å; V569-L1210 HydrophobicContact CG1-CD1 3.47Å; V569-L1210 VanDerWaalsContact CG1-CD1 3.47Å; V569-L1210 HydrophobicContact CG1-CD2 4Å; V569-L1210 HydrophobicContact CG1-CG 4.39Å; V569-L1210 HydrophobicContact CG2-CD1 3.68Å
570Q81Confident69.8Low57 Ų5762.5 Ų62.527%0.26634%0.337SS..EExtended strand (participates in β ladder)trans-131.6136.3-174.7-168.566.11300110E29 K1199 I1200 W1201 F1202E29-Q570 PolarHBondContact OE1-NE2 3.13Å; Q570-K1199 HydrophobicContact CB-CG 4.31Å; Q570-I1200 PolarHBondContact N-O 2.91Å; Q570-W1201 HydrophobicContact CB-CD2 4.29Å; Q570-W1201 HydrophobicContact CB-CE3 3.96Å; Q570-W1201 HydrophobicContact CB-CZ3 4.16Å; Q570-W1201 HydrophobicContact CG-CD2 4.42Å; Q570-W1201 HydrophobicContact CG-CE3 3.69Å; Q570-W1201 HydrophobicContact CG-CH2 3.91Å; Q570-W1201 HydrophobicContact CG-CZ3 3.4Å; Q570-W1201 WeakPolarHBondContact O-CA 3.27Å; Q570-F1202 WeakPolarHBondContact O-CD1 3.38Å; Q570-F1202 PolarHBondContact O-N 3.09Å
571Q79.9Confident69.1Low50 Ų5060.8 Ų60.823%0.23433%0.327CS..EExtended strand (participates in β ladder)trans-72146.5169.4-68.217986.600109.4N19 L536 F1202N19-Q571 PolarHBondContact ND2-NE2 3.27Å; N19-Q571 PolarHBondContact OD1-NE2 3.25Å; L536-Q571 HydrophobicContact CD2-CG 4.45Å; Q571-F1202 WeakPolarHBondContact CA-O 3.49Å; Q571-F1202 HydrophobicContact CB-CE1 4.5Å; Q571-F1202 HydrophobicContact CG-CE1 3.71Å; Q571-F1202 HydrophobicContact CG-CE2 4.16Å; Q571-F1202 HydrophobicContact CG-CZ 3.47Å; Q571-F1202 VanDerWaalsContact CG-CZ 3.47Å
572F75.4Confident68.8Low26 Ų2666 Ų6611%0.11435%0.348CS..PPolyproline II helixtrans-63.2141.4165.7-81.7-67.4000110.5Y1102 W1201 F1202 N1203F572-Y1102 AromaticContact CD1-CD1 3.93Å; F572-Y1102 HydrophobicContact CD1-CD1 3.93Å; F572-Y1102 HydrophobicContact CD1-CE1 4.39Å; F572-Y1102 HydrophobicContact CD1-CG 4.38Å; F572-Y1102 AromaticContact CE1-CD1 3.43Å; F572-Y1102 HydrophobicContact CE1-CD1 3.43Å; F572-Y1102 VanDerWaalsContact CE1-CD1 3.43Å; F572-Y1102 AromaticContact CE1-CE1 3.45Å; F572-Y1102 HydrophobicContact CE1-CE1 3.45Å; F572-Y1102 VanDerWaalsContact CE1-CE1 3.45Å; F572-Y1102 HydrophobicContact CE1-CG 4.1Å; F572-Y1102 HydrophobicContact CZ-CD1 4.24Å; F572-Y1102 AromaticContact CZ-CE1 3.92Å; F572-Y1102 HydrophobicContact CZ-CE1 3.92Å; F572-W1201 HydrophobicContact CD1-CB 4.31Å; F572-W1201 HydrophobicContact CD1-CE3 4.21Å; F572-W1201 HydrophobicContact CE1-CB 3.82Å; F572-W1201 HydrophobicContact CE1-CG 4.31Å; F572-W1201 HydrophobicContact CE2-CB 4.12Å; F572-W1201 HydrophobicContact CZ-CB 3.73Å; F572-F1202 PolarHBondContact N-O 3.45Å; F572-N1203 HydrophobicContact CD2-CB 3.98Å
573P69.8Low68.6Low32 Ų3263.3 Ų63.321%0.20833%0.33CS..PPolyproline II helixtrans-62.4144175.626.7-34.7000111E1103P573-E1103 HydrophobicContact CG-CB 4.43Å
574S64.2Low68.1Low39 Ų3966.2 Ų66.227%0.27334%0.337SS..  trans-151.3137.5-177.765.70000111.8P528 C576P528-S574 WeakPolarHBondContact CB-OG 3.45Å; S574-C576 PolarHBondContact O-N 3.35Å
575S62.3Low67.8Low21 Ų2166.4 Ų66.415%0.14734%0.34CS..  trans-56.7127.9178.951.50000114H577S575-H577 PolarHBondContact O-N 3.27Å; S575-H577 PolarHBondContact OG-CD2 2.82Å; S575-H577 PolarHBondContact OG-NE2 3.08Å
576C64.9Low67.3Low57 Ų5769.4 Ų69.439%0.38536%0.355SS..  trans-71.847.5-176.5-49.70000115.1C21 S574C21-C576 HydrophobicContact CB-CB 4.03Å; C21-C576 WeakPolarHBondContact CB-SG 3.37Å; C21-C576 WeakPolarHBondContact SG-CB 2.94Å; C21-C576 CovalentContact SG-SG 2.04Å; C21-C576 PolarHBondContact SG-SG 3.11Å; S574-C576 PolarHBondContact O-N 3.35Å
577H60.7Low66.4Low120 Ų12074.7 Ų74.756%0.55638%0.378SS*.  trans-76.4138-174.8-68.1-51.4000114.4S575S575-H577 PolarHBondContact O-N 3.27Å; S575-H577 PolarHBondContact OG-CD2 2.82Å; S575-H577 PolarHBondContact OG-NE2 3.08Å
578K56Low65.1Low213 Ų21382.6 Ų82.693%0.92641%0.407SS*.  trans-86.9124.5164.7-65.6-179.8-178.8177.50109.3
579L54.4Low64.3Low81 Ų8183.5 Ų83.542%0.42442%0.417SS..  trans-115.4129.1-174.8-81.8153.8000111.9P526 R527 L581P526-L579 HydrophobicContact CB-CD1 4.11Å; P526-L579 HydrophobicContact CG-CD1 3.79Å; P526-L579 HydrophobicContact CG-CD2 3.97Å; R527-L579 HydrophobicContact CB-CD1 3.73Å; L579-L581 PolarHBondContact O-N 2.91Å
580D61.2Low63.3Low99 Ų9985.3 Ų85.353%0.52943%0.425SS..  trans-89103.5176.1-179.816.7000112F582 S583 K584D580-F582 VanDerWaalsContact C-N 3.3Å; D580-F582 PolarHBondContact O-N 3.24Å; D580-F582 VanDerWaalsContact OD1-CB 3.28Å; D580-F582 WeakPolarHBondContact OD1-CB 3.48Å; D580-F582 PolarHBondContact OD1-N 3.24Å; D580-S583 WeakPolarHBondContact OD2-CB 3.47Å; D580-S583 PolarHBondContact OD2-N 3.05Å; D580-K584 PolarHBondContact O-N 2.86Å
581L56.3Low62.4Low110 Ų11084.6 Ų84.658%0.57643%0.426SS*.Hα-helixtrans-69-25.6176.6-67.1168.8000113.1L579 S585L579-L581 PolarHBondContact O-N 2.91Å; L581-S585 WeakPolarHBondContact O-CB 3.46Å; L581-S585 PolarHBondContact O-N 2.93Å; L581-S585 VanDerWaalsContact O-N 3.13Å; L581-S585 PolarHBondContact O-OG 3.1Å
582F62.4Low61.5Low148 Ų14889 Ų8965%0.64945%0.448SS*.Hα-helixtrans-71.4-49.5-178.1-179-109.5000110.6D580 K584 S585 I586D580-F582 VanDerWaalsContact C-N 3.3Å; D580-F582 PolarHBondContact O-N 3.24Å; D580-F582 VanDerWaalsContact OD1-CB 3.28Å; D580-F582 WeakPolarHBondContact OD1-CB 3.48Å; D580-F582 PolarHBondContact OD1-N 3.24Å; F582-K584 PolarHBondContact O-N 2.9Å; F582-S585 PolarHBondContact O-N 2.84Å; F582-S585 VanDerWaalsContact O-N 3.11Å; F582-I586 HydrophobicContact CD1-CD1 4.1Å; F582-I586 HydrophobicContact CD2-CD1 4.22Å; F582-I586 HydrophobicContact CE1-CD1 3.56Å; F582-I586 HydrophobicContact CE2-CD1 3.7Å; F582-I586 HydrophobicContact CE2-CG1 4.49Å; F582-I586 HydrophobicContact CG-CD1 4.42Å; F582-I586 HydrophobicContact CZ-CD1 3.35Å; F582-I586 PolarHBondContact O-N 3.32Å
583S60.1Low61.1Low46 Ų4694.5 Ų94.532%0.32247%0.472SS..Hα-helixtrans-57.6-45.3174.1-178.60000112.7D580 S585 K587D580-S583 WeakPolarHBondContact OD2-CB 3.47Å; D580-S583 PolarHBondContact OD2-N 3.05Å; S583-S585 VanDerWaalsContact C-N 3.27Å; S583-S585 PolarHBondContact O-N 3.19Å; S583-K587 VanDerWaalsContact O-CG 3.32Å; S583-K587 WeakPolarHBondContact O-CG 3.4Å; S583-K587 PolarHBondContact O-N 3.48Å; S583-K587 WeakPolarHBondContact OG-CE 3.41Å
584K56.6Low60.8Low122 Ų12294.4 Ų94.453%0.5347%0.469SS..Hα-helixtrans-62-32.8176-170.6173.8-179.1179.40112.6W524 D580 F582W524-K584 PolarHBondContact O-NZ 3.14Å; W524-K584 VanDerWaalsContact O-NZ 3.09Å; D580-K584 PolarHBondContact O-N 2.86Å; F582-K584 PolarHBondContact O-N 2.9Å
585S60.1Low60.9Low71 Ų7195.8 Ų95.850%0.49747%0.473SS..Hα-helixtrans-76.4-47.9-179.3-59.20000112.6L581 F582 S583 K587 R588 T589L581-S585 WeakPolarHBondContact O-CB 3.46Å; L581-S585 PolarHBondContact O-N 2.93Å; L581-S585 VanDerWaalsContact O-N 3.13Å; L581-S585 PolarHBondContact O-OG 3.1Å; F582-S585 PolarHBondContact O-N 2.84Å; F582-S585 VanDerWaalsContact O-N 3.11Å; S583-S585 VanDerWaalsContact C-N 3.27Å; S583-S585 PolarHBondContact O-N 3.19Å; S585-K587 PolarHBondContact O-N 2.87Å; S585-R588 PolarHBondContact O-N 3.47Å; S585-T589 PolarHBondContact O-N 2.84Å; S585-T589 PolarHBondContact O-OG1 2.92Å
586I63.5Low61.2Low68 Ų68101 Ų10135%0.34950%0.499SS..Hα-helixtrans-63.7-40.6-178.5-74.3-179.6000111.9F582 R588 T589 L590F582-I586 HydrophobicContact CD1-CD1 4.1Å; F582-I586 HydrophobicContact CD2-CD1 4.22Å; F582-I586 HydrophobicContact CE1-CD1 3.56Å; F582-I586 HydrophobicContact CE2-CD1 3.7Å; F582-I586 HydrophobicContact CE2-CG1 4.49Å; F582-I586 HydrophobicContact CG-CD1 4.42Å; F582-I586 HydrophobicContact CZ-CD1 3.35Å; F582-I586 PolarHBondContact O-N 3.32Å; I586-R588 PolarHBondContact O-N 3.25Å; I586-T589 PolarHBondContact O-N 3.28Å; I586-T589 VanDerWaalsContact O-N 3.12Å; I586-L590 HydrophobicContact CG2-CD1 4.25Å; I586-L590 WeakPolarHBondContact O-CB 3.33Å; I586-L590 PolarHBondContact O-N 3.18Å; I586-L590 VanDerWaalsContact O-N 3.09Å
587K56.7Low61.5Low110 Ų110101 Ų10148%0.47850%0.499SS..Hα-helixtrans-55.9-23.6178.1-73.4178.8-173.9-173.40113.5S583 S585 S671S583-K587 VanDerWaalsContact O-CG 3.32Å; S583-K587 WeakPolarHBondContact O-CG 3.4Å; S583-K587 PolarHBondContact O-N 3.48Å; S583-K587 WeakPolarHBondContact OG-CE 3.41Å; S585-K587 PolarHBondContact O-N 2.87Å; K587-S671 PolarHBondContact NZ-OG 3.4Å
588R57.7Low62.2Low186 Ų18696.3 Ų96.370%0.70248%0.476SS*.Hα-helixtrans-93.6-29.5178-179.7174.1167.1-170.9-5.9114.1S585 I586S585-R588 PolarHBondContact O-N 3.47Å; I586-R588 PolarHBondContact O-N 3.25Å
589T63.5Low63.2Low66 Ų6691.6 Ų91.641%0.40546%0.46SS..Hα-helixtrans-99.1-22-172.558.40000114.7S585 I586 P591 M592S585-T589 PolarHBondContact O-N 2.84Å; S585-T589 PolarHBondContact O-OG1 2.92Å; I586-T589 PolarHBondContact O-N 3.28Å; I586-T589 VanDerWaalsContact O-N 3.12Å; T589-P591 VanDerWaalsContact C-CD 3.46Å; T589-M592 WeakPolarHBondContact O-CB 3.49Å; T589-M592 PolarHBondContact O-N 3.06Å; T589-M592 VanDerWaalsContact O-N 3.12Å
590L63.3Low64.2Low69 Ų6994.8 Ų94.836%0.36147%0.471SS..Hα-helixtrans-50.8-42.4-174.1-172.9151.6000115.1I586 M592 F593 M594I586-L590 HydrophobicContact CG2-CD1 4.25Å; I586-L590 WeakPolarHBondContact O-CB 3.33Å; I586-L590 PolarHBondContact O-N 3.18Å; I586-L590 VanDerWaalsContact O-N 3.09Å; L590-M592 VanDerWaalsContact C-N 3.28Å; L590-M592 PolarHBondContact O-N 3.1Å; L590-F593 PolarHBondContact O-N 2.91Å; L590-M594 HydrophobicContact CD2-CG 4.1Å; L590-M594 HydrophobicContact CD2-SD 3.71Å; L590-M594 PolarHBondContact O-N 2.74Å
591P61Low64.9Low42 Ų4291 Ų9127%0.27345%0.452SS..Hα-helixtrans-60.1-32.3-179.7-2636000114.5T589 M594 I595T589-P591 VanDerWaalsContact C-CD 3.46Å; P591-M594 PolarHBondContact O-N 3.08Å; P591-I595 WeakPolarHBondContact O-CG1 3.12Å; P591-I595 PolarHBondContact O-N 3.46Å; P591-I595 VanDerWaalsContact O-N 3.16Å
592M62Low65.8Low144 Ų14489.4 Ų89.471%0.70945%0.447SS*.Hα-helixtrans-65.2-42.7-179.3-176-177.7177.300111.7T589 L590 M594 I595 L596T589-M592 WeakPolarHBondContact O-CB 3.49Å; T589-M592 PolarHBondContact O-N 3.06Å; T589-M592 VanDerWaalsContact O-N 3.12Å; L590-M592 VanDerWaalsContact C-N 3.28Å; L590-M592 PolarHBondContact O-N 3.1Å; M592-M594 VanDerWaalsContact C-N 3.33Å; M592-M594 PolarHBondContact O-N 2.94Å; M592-I595 PolarHBondContact O-N 2.77Å; M592-L596 PolarHBondContact O-N 3.35Å
593F65.5Low66.3Low140 Ų14085 Ų8561%0.61444%0.438SS*.Hα-helixtrans-67-34.9178.8-66.8-73.9000112L590 L596 S597L590-F593 PolarHBondContact O-N 2.91Å; F593-L596 PolarHBondContact O-N 2.89Å; F593-S597 PolarHBondContact O-N 3.38Å
594M63.8Low67.2Low30 Ų3086.7 Ų86.715%0.14844%0.442CS..Hα-helixtrans-65.8-43.8175.1-60.5-166.4103.900112.2L590 P591 M592 L596 S597 W598 I650L590-M594 HydrophobicContact CD2-CG 4.1Å; L590-M594 HydrophobicContact CD2-SD 3.71Å; L590-M594 PolarHBondContact O-N 2.74Å; P591-M594 PolarHBondContact O-N 3.08Å; M592-M594 VanDerWaalsContact C-N 3.33Å; M592-M594 PolarHBondContact O-N 2.94Å; M594-L596 VanDerWaalsContact C-N 3.31Å; M594-L596 PolarHBondContact O-N 3.18Å; M594-S597 PolarHBondContact O-N 2.86Å; M594-S597 VanDerWaalsContact O-N 3.16Å; M594-S597 PolarHBondContact O-OG 2.94Å; M594-W598 HydrophobicContact CB-CE3 4.46Å; M594-W598 HydrophobicContact CB-CH2 3.86Å; M594-W598 HydrophobicContact CB-CZ3 3.81Å; M594-W598 HydrophobicContact CE-CH2 3.69Å; M594-W598 HydrophobicContact CE-CZ2 4.03Å; M594-W598 HydrophobicContact CG-CH2 4.4Å; M594-W598 PolarHBondContact O-N 2.85Å; M594-W598 HydrophobicContact SD-CH2 4.06Å; M594-I650 HydrophobicContact CE-CG2 4.33Å
595I66.2Low68.1Low69 Ų6982 Ų8235%0.35442%0.422SS..Hα-helixtrans-57.2-45.6176.2-66.5165000110.9P591 M592 S597 W598 I599 Q660P591-I595 WeakPolarHBondContact O-CG1 3.12Å; P591-I595 PolarHBondContact O-N 3.46Å; P591-I595 VanDerWaalsContact O-N 3.16Å; M592-I595 PolarHBondContact O-N 2.77Å; I595-S597 PolarHBondContact O-N 3.23Å; I595-W598 PolarHBondContact O-N 2.93Å; I595-I599 PolarHBondContact O-N 3.33Å; I595-Q660 HydrophobicContact CD1-CG 3.87Å; I595-Q660 HydrophobicContact CG1-CG 3.82Å
596L68.8Low68.7Low131 Ų13183.8 Ų83.869%0.68643%0.425SS*.Hα-helixtrans-60.4-31.1-178.9-159.378.3000112.5M592 F593 M594 I599M592-L596 PolarHBondContact O-N 3.35Å; F593-L596 PolarHBondContact O-N 2.89Å; M594-L596 VanDerWaalsContact C-N 3.31Å; M594-L596 PolarHBondContact O-N 3.18Å; L596-I599 WeakPolarHBondContact O-CG2 3.21Å
597S70.7Confident69.4Low55 Ų5589.5 Ų89.539%0.38544%0.443SS..Hα-helixtrans-76.6-31.6-179.674.40000114.4F593 M594 I595F593-S597 PolarHBondContact O-N 3.38Å; M594-S597 PolarHBondContact O-N 2.86Å; M594-S597 VanDerWaalsContact O-N 3.16Å; M594-S597 PolarHBondContact O-OG 2.94Å; I595-S597 PolarHBondContact O-N 3.23Å
598W75.8Confident70.4Confident23 Ų2387 Ų879%0.08744%0.438CS..Hα-helixtrans-98.2-13-175.2-60.2-42.2000115M594 I595 F600 S601 V602 L643 L658M594-W598 HydrophobicContact CB-CE3 4.46Å; M594-W598 HydrophobicContact CB-CH2 3.86Å; M594-W598 HydrophobicContact CB-CZ3 3.81Å; M594-W598 HydrophobicContact CE-CH2 3.69Å; M594-W598 HydrophobicContact CE-CZ2 4.03Å; M594-W598 HydrophobicContact CG-CH2 4.4Å; M594-W598 PolarHBondContact O-N 2.85Å; M594-W598 HydrophobicContact SD-CH2 4.06Å; I595-W598 PolarHBondContact O-N 2.93Å; W598-F600 PolarHBondContact O-N 2.81Å; W598-S601 WeakPolarHBondContact O-CB 3.49Å; W598-S601 PolarHBondContact O-N 3.29Å; W598-V602 WeakPolarHBondContact O-CG2 3.39Å; W598-V602 PolarHBondContact O-N 3.01Å; W598-L643 HydrophobicContact CD2-CD2 4.48Å; W598-L643 HydrophobicContact CG-CD2 4.02Å; W598-L658 HydrophobicContact CE3-CD2 4.12Å; W598-L658 HydrophobicContact CH2-CD2 3.25Å; W598-L658 HydrophobicContact CH2-CG 3.51Å; W598-L658 HydrophobicContact CZ2-CD2 3.81Å; W598-L658 HydrophobicContact CZ2-CG 3.99Å; W598-L658 HydrophobicContact CZ3-CD2 3.42Å; W598-L658 VanDerWaalsContact CZ3-CD2 3.42Å; W598-L658 HydrophobicContact CZ3-CG 4.16Å
599I76.6Confident71.3Confident114 Ų11480.5 Ų80.559%0.58542%0.417SS*.Hα-helixtrans-54.9-38.6-176.6-166.6171.4000112.9I595 L596 A603I595-I599 PolarHBondContact O-N 3.33Å; L596-I599 WeakPolarHBondContact O-CG2 3.21Å; I599-A603 WeakPolarHBondContact O-CB 3.19Å; I599-A603 PolarHBondContact O-N 2.82Å; I599-A603 VanDerWaalsContact O-N 3.12Å
600F76.2Confident71.9Confident148 Ų14881 Ų8165%0.64942%0.42SS*.Hα-helixtrans-67.6-46.2175.5179.8-101000112.4W598 V602 A603 M604W598-F600 PolarHBondContact O-N 2.81Å; F600-V602 VanDerWaalsContact C-N 3.34Å; F600-V602 PolarHBondContact O-N 2.84Å; F600-A603 PolarHBondContact O-N 2.69Å; F600-M604 HydrophobicContact CD1-CG 4.35Å; F600-M604 HydrophobicContact CD2-CG 4.46Å; F600-M604 HydrophobicContact CE1-CG 3.9Å; F600-M604 HydrophobicContact CE2-CG 4.02Å; F600-M604 HydrophobicContact CE2-SD 4.38Å; F600-M604 HydrophobicContact CZ-CG 3.72Å; F600-M604 HydrophobicContact CZ-SD 4.21Å; F600-M604 PolarHBondContact O-N 2.78Å
601S75.9Confident72.3Confident19 Ų1980.3 Ų80.313%0.13342%0.421CS..Hα-helixtrans-59.1-42.9179-53.10000112.2W598 I605W598-S601 WeakPolarHBondContact O-CB 3.49Å; W598-S601 PolarHBondContact O-N 3.29Å; S601-I605 PolarHBondContact O-N 2.84Å
602V76.1Confident73.1Confident77 Ų7779 Ų7947%0.46741%0.411SS..Hα-helixtrans-66.3-45.5175.9176.40000111W598 F600 M604 I605 L606W598-V602 WeakPolarHBondContact O-CG2 3.39Å; W598-V602 PolarHBondContact O-N 3.01Å; F600-V602 VanDerWaalsContact C-N 3.34Å; F600-V602 PolarHBondContact O-N 2.84Å; V602-M604 PolarHBondContact O-N 2.93Å; V602-I605 PolarHBondContact O-N 2.89Å; V602-L606 WeakPolarHBondContact O-CB 3.49Å; V602-L606 PolarHBondContact O-N 2.79Å
603A73.1Confident73.6Confident56 Ų5678.1 Ų78.146%0.46340%0.403SS..Hα-helixtrans-62.9-40.3-179.300000113.1I599 F600 R607I599-A603 WeakPolarHBondContact O-CB 3.19Å; I599-A603 PolarHBondContact O-N 2.82Å; I599-A603 VanDerWaalsContact O-N 3.12Å; F600-A603 PolarHBondContact O-N 2.69Å; A603-R607 PolarHBondContact O-N 2.74Å; A603-R607 VanDerWaalsContact O-N 3.1Å
604M77.5Confident73.7Confident81 Ų8178.6 Ų78.640%0.39941%0.408SS..Hα-helixtrans-65.1-46.8177-75.9-61.8-63.700112.1F600 V602 L606 R607 C608F600-M604 HydrophobicContact CD1-CG 4.35Å; F600-M604 HydrophobicContact CD2-CG 4.46Å; F600-M604 HydrophobicContact CE1-CG 3.9Å; F600-M604 HydrophobicContact CE2-CG 4.02Å; F600-M604 HydrophobicContact CE2-SD 4.38Å; F600-M604 HydrophobicContact CZ-CG 3.72Å; F600-M604 HydrophobicContact CZ-SD 4.21Å; F600-M604 PolarHBondContact O-N 2.78Å; V602-M604 PolarHBondContact O-N 2.93Å; M604-L606 PolarHBondContact O-N 3.44Å; M604-R607 WeakPolarHBondContact O-CB 3.4Å; M604-R607 PolarHBondContact O-N 2.98Å; M604-C608 PolarHBondContact O-N 3.31Å; M604-C608 VanDerWaalsContact O-N 3.1Å; M604-C608 PolarHBondContact O-SG 2.8Å; M604-C608 VanDerWaalsContact O-SG 3.41Å
605I75.2Confident74.1Confident23 Ų2380.3 Ų80.312%0.11842%0.417CS..Hα-helixtrans-67.3-37.4179.5-70.9173.5000111.3S601 V602 R607 C608 L609 W635 F639 L642S601-I605 PolarHBondContact O-N 2.84Å; V602-I605 PolarHBondContact O-N 2.89Å; I605-R607 VanDerWaalsContact C-N 3.34Å; I605-R607 PolarHBondContact O-N 3.2Å; I605-C608 PolarHBondContact O-N 2.78Å; I605-L609 WeakPolarHBondContact O-CB 3.03Å; I605-L609 PolarHBondContact O-N 3.12Å; I605-W635 HydrophobicContact CG2-CE3 4.31Å; I605-F639 HydrophobicContact CD1-CB 4.21Å; I605-F639 HydrophobicContact CD1-CD2 3.8Å; I605-L642 HydrophobicContact CD1-CD2 3.68Å; I605-L642 HydrophobicContact CG1-CD2 4.44Å
606L73.5Confident74.6Confident109 Ų10983 Ų8357%0.57143%0.427SS*.Hα-helixtrans-57.9-45.7172.4-16983.1000111.4V602 M604 C608 L609 V610V602-L606 WeakPolarHBondContact O-CB 3.49Å; V602-L606 PolarHBondContact O-N 2.79Å; M604-L606 PolarHBondContact O-N 3.44Å; L606-C608 PolarHBondContact O-N 2.6Å; L606-L609 PolarHBondContact O-N 3.41Å; L606-V610 WeakPolarHBondContact O-CG2 3.46Å; L606-V610 PolarHBondContact O-N 3.47Å
607R77.6Confident75Confident188 Ų18877 Ų7771%0.70940%0.396SS*.Hα-helixtrans-60.8-44.2178.3-178.5-179.6175-172.8-2.5112A603 M604 I605 V610 S611A603-R607 PolarHBondContact O-N 2.74Å; A603-R607 VanDerWaalsContact O-N 3.1Å; M604-R607 WeakPolarHBondContact O-CB 3.4Å; M604-R607 PolarHBondContact O-N 2.98Å; I605-R607 VanDerWaalsContact C-N 3.34Å; I605-R607 PolarHBondContact O-N 3.2Å; R607-V610 PolarHBondContact O-N 2.73Å; R607-S611 WeakPolarHBondContact O-CB 3.09Å; R607-S611 PolarHBondContact O-N 3.44Å
608C79.2Confident75.2Confident57 Ų5776.7 Ų76.739%0.38539%0.388SS..Hα-helixtrans-64-45.2177.4-64.90000112M604 I605 L606 V610 S611 E612 W635M604-C608 PolarHBondContact O-N 3.31Å; M604-C608 VanDerWaalsContact O-N 3.1Å; M604-C608 PolarHBondContact O-SG 2.8Å; M604-C608 VanDerWaalsContact O-SG 3.41Å; I605-C608 PolarHBondContact O-N 2.78Å; L606-C608 PolarHBondContact O-N 2.6Å; C608-V610 VanDerWaalsContact C-N 3.31Å; C608-V610 PolarHBondContact O-N 2.62Å; C608-S611 PolarHBondContact O-N 3.42Å; C608-E612 PolarHBondContact O-N 2.73Å; C608-W635 HydrophobicContact CB-CH2 3.59Å; C608-W635 HydrophobicContact CB-CZ2 4.4Å; C608-W635 HydrophobicContact CB-CZ3 4.1Å
609L75.7Confident74.9Confident49 Ų4977.8 Ų77.826%0.25740%0.402SS..Hα-helixtrans-64.3-33178.1-171.671.3000112.8I605 L606 K613 W635I605-L609 WeakPolarHBondContact O-CB 3.03Å; I605-L609 PolarHBondContact O-N 3.12Å; L606-L609 PolarHBondContact O-N 3.41Å; L609-K613 WeakPolarHBondContact O-CG 3.1Å; L609-K613 PolarHBondContact O-N 3.31Å; L609-W635 HydrophobicContact CD1-CD2 4.36Å; L609-W635 HydrophobicContact CD1-CG 4.16Å
610V75.7Confident75Confident77 Ų7772.6 Ų72.647%0.46738%0.375SS..Hα-helixtrans-71.9-41.4173170.70000111L606 R607 C608 E612 K613 E614L606-V610 WeakPolarHBondContact O-CG2 3.46Å; L606-V610 PolarHBondContact O-N 3.47Å; R607-V610 PolarHBondContact O-N 2.73Å; C608-V610 VanDerWaalsContact C-N 3.31Å; C608-V610 PolarHBondContact O-N 2.62Å; V610-E612 PolarHBondContact O-N 3.25Å; V610-K613 WeakPolarHBondContact O-CB 3.27Å; V610-K613 PolarHBondContact O-N 3.37Å; V610-K613 VanDerWaalsContact O-N 3.16Å; V610-E614 PolarHBondContact O-N 3.49Å
611S72.2Confident75Confident54 Ų5466.6 Ų66.638%0.37835%0.349SS..Hα-helixtrans-64.3-39.8178.1-170.60000112.8R607 C608 K613 E614 L615R607-S611 WeakPolarHBondContact O-CB 3.09Å; R607-S611 PolarHBondContact O-N 3.44Å; C608-S611 PolarHBondContact O-N 3.42Å; S611-K613 VanDerWaalsContact C-N 3.28Å; S611-K613 PolarHBondContact O-N 2.86Å; S611-E614 PolarHBondContact O-N 3.13Å; S611-L615 WeakPolarHBondContact O-CG 3.4Å; S611-L615 PolarHBondContact O-N 3.02Å
612E77.2Confident74.8Confident16 Ų1672.5 Ų72.58%0.07537%0.369CS..Hα-helixtrans-60.9-37.2173-169.8-159.1152.600112C608 V610 H616 L617 K618 M621 N631 W635C608-E612 PolarHBondContact O-N 2.73Å; V610-E612 PolarHBondContact O-N 3.25Å; E612-H616 PolarHBondContact O-N 3.31Å; E612-L617 HydrophobicContact CG-CB 3.82Å; E612-L617 PolarHBondContact O-N 3.29Å; E612-K618 HydrophobicContact CG-CB 4.28Å; E612-K618 VanDerWaalsContact OE1-CA 3.27Å; E612-K618 WeakPolarHBondContact OE1-CA 3.4Å; E612-K618 WeakPolarHBondContact OE1-CB 3.5Å; E612-M621 HydrophobicContact CG-CE 4.21Å; E612-M621 WeakPolarHBondContact OE1-CE 3.35Å; E612-N631 PolarHBondContact OE1-ND2 3.49Å; E612-W635 PolarHBondContact OE2-NE1 3.18Å
613K72.4Confident74.4Confident125 Ų12569.3 Ų69.354%0.54335%0.349SS..Hα-helixtrans-70.3-44.1175.4-72.7174.6-179.9-177.30111.8L609 V610 S611 H616L609-K613 WeakPolarHBondContact O-CG 3.1Å; L609-K613 PolarHBondContact O-N 3.31Å; V610-K613 WeakPolarHBondContact O-CB 3.27Å; V610-K613 PolarHBondContact O-N 3.37Å; V610-K613 VanDerWaalsContact O-N 3.16Å; S611-K613 VanDerWaalsContact C-N 3.28Å; S611-K613 PolarHBondContact O-N 2.86Å; K613-H616 PolarHBondContact O-CD2 3.07Å; K613-H616 PolarHBondContact O-N 3.25Å; K613-H616 VanDerWaalsContact O-N 3.09Å
614E69.1Low74.3Confident150 Ų15066.9 Ų66.970%0.70133%0.328SS*.Hα-helixtrans-64.6-40.4-179.2-174.5174.3-166.300112.2V610 S611 H616V610-E614 PolarHBondContact O-N 3.49Å; S611-E614 PolarHBondContact O-N 3.13Å; E614-H616 PolarHBondContact O-CD2 2.98Å; E614-H616 PolarHBondContact O-N 3.09Å
615L71.5Confident73.8Confident66 Ų6664 Ų6435%0.34632%0.32SS..THydrogen-bonded Turntrans-78.24174.1-63.8175.3000113.6S611 L617S611-L615 WeakPolarHBondContact O-CG 3.4Å; S611-L615 PolarHBondContact O-N 3.02Å; L615-L617 HydrophobicContact CB-CD1 3.74Å; L615-L617 HydrophobicContact CB-CG 3.88Å; L615-L617 HydrophobicContact CD1-CD1 3.87Å; L615-L617 HydrophobicContact CG-CD1 4.47Å; L615-L617 PolarHBondContact O-N 3.16Å
616H75.9Confident73.6Confident124 Ų12464.4 Ų64.457%0.57432%0.323SS*.THydrogen-bonded Turntrans57.610.6-176.6-65.1-168.9000115.2E612 K613 E614 K618 A619 F620E612-H616 PolarHBondContact O-N 3.31Å; K613-H616 PolarHBondContact O-CD2 3.07Å; K613-H616 PolarHBondContact O-N 3.25Å; K613-H616 VanDerWaalsContact O-N 3.09Å; E614-H616 PolarHBondContact O-CD2 2.98Å; E614-H616 PolarHBondContact O-N 3.09Å; H616-K618 VanDerWaalsContact C-N 3.25Å; H616-K618 PolarHBondContact O-N 2.65Å; H616-A619 WeakPolarHBondContact O-CB 3.08Å; H616-A619 PolarHBondContact O-N 3.09Å; H616-F620 PolarHBondContact O-N 3.06Å
617L78.2Confident73.4Confident6 Ų661 Ų613%0.03131%0.314CS..Hα-helixtrans-56.6-37.7-175.7-72.3161.6000112.2E612 L615 A619 F620 M621 V834 F836E612-L617 HydrophobicContact CG-CB 3.82Å; E612-L617 PolarHBondContact O-N 3.29Å; L615-L617 HydrophobicContact CB-CD1 3.74Å; L615-L617 HydrophobicContact CB-CG 3.88Å; L615-L617 HydrophobicContact CD1-CD1 3.87Å; L615-L617 HydrophobicContact CG-CD1 4.47Å; L615-L617 PolarHBondContact O-N 3.16Å; L617-A619 VanDerWaalsContact C-N 3.31Å; L617-A619 PolarHBondContact O-N 3.33Å; L617-F620 PolarHBondContact O-N 3.2Å; L617-M621 HydrophobicContact CB-CE 4.36Å; L617-M621 PolarHBondContact O-N 2.85Å; L617-V834 HydrophobicContact CD2-CG1 3.68Å; L617-V834 HydrophobicContact CG-CG1 4.17Å; L617-F836 HydrophobicContact CD1-CD1 3.8Å; L617-F836 HydrophobicContact CD1-CE1 3.73Å; L617-F836 HydrophobicContact CD1-CZ 4.45Å; L617-F836 HydrophobicContact CD2-CD1 4.16Å; L617-F836 HydrophobicContact CD2-CD2 4.23Å; L617-F836 HydrophobicContact CD2-CE1 3.96Å; L617-F836 HydrophobicContact CD2-CE2 4.03Å; L617-F836 HydrophobicContact CD2-CG 4.3Å; L617-F836 HydrophobicContact CD2-CZ 3.89Å; L617-F836 HydrophobicContact CG-CE1 4.36Å
618K74.5Confident72.9Confident49 Ų4952.8 Ų52.821%0.21329%0.286CS..Hα-helixtrans-58.8-39176-171.8150.8-176.2142.10113.6E612 H616 R622 N631E612-K618 HydrophobicContact CG-CB 4.28Å; E612-K618 VanDerWaalsContact OE1-CA 3.27Å; E612-K618 WeakPolarHBondContact OE1-CA 3.4Å; E612-K618 WeakPolarHBondContact OE1-CB 3.5Å; H616-K618 VanDerWaalsContact C-N 3.25Å; H616-K618 PolarHBondContact O-N 2.65Å; K618-R622 WeakPolarHBondContact O-CB 3.44Å; K618-R622 PolarHBondContact O-N 3.28Å; K618-N631 PolarHBondContact NZ-OD1 3.3Å
619A70.1Confident72.4Confident46 Ų4657.8 Ų57.838%0.3830%0.301SS..Hα-helixtrans-73.8-39.4178.600000110.9H616 L617 R622 T623 L800H616-A619 WeakPolarHBondContact O-CB 3.08Å; H616-A619 PolarHBondContact O-N 3.09Å; L617-A619 VanDerWaalsContact C-N 3.31Å; L617-A619 PolarHBondContact O-N 3.33Å; A619-R622 WeakPolarHBondContact O-CB 3.25Å; A619-R622 PolarHBondContact O-N 3.32Å; A619-T623 PolarHBondContact O-N 3.01Å; A619-T623 PolarHBondContact O-OG1 2.94Å; A619-L800 HydrophobicContact CB-CD2 4.49Å
620F78.3Confident72.3Confident5 Ų557.8 Ų57.82%0.02231%0.309CS..Hα-helixtrans-67.2-43.8179-172.3-120.8000112.8H616 L617 R622 T623 M624 Y828 P830 V834 Y848 I897H616-F620 PolarHBondContact O-N 3.06Å; L617-F620 PolarHBondContact O-N 3.2Å; F620-R622 VanDerWaalsContact C-N 3.28Å; F620-R622 PolarHBondContact O-N 3.3Å; F620-T623 WeakPolarHBondContact CA-OG1 3.28Å; F620-T623 PolarHBondContact O-N 3.04Å; F620-T623 VanDerWaalsContact O-N 3.16Å; F620-T623 PolarHBondContact O-OG1 2.68Å; F620-M624 HydrophobicContact CE1-CE 4.12Å; F620-M624 HydrophobicContact CE2-CE 3.62Å; F620-M624 HydrophobicContact CZ-CE 3.35Å; F620-M624 WeakPolarHBondContact O-CG 3.39Å; F620-M624 PolarHBondContact O-N 2.75Å; F620-M624 VanDerWaalsContact O-N 3.08Å; F620-Y828 AromaticContact CD2-CD1 3.93Å; F620-Y828 HydrophobicContact CD2-CD1 3.93Å; F620-Y828 HydrophobicContact CD2-CE1 4.34Å; F620-Y828 AromaticContact CE2-CD1 3.93Å; F620-Y828 HydrophobicContact CE2-CD1 3.93Å; F620-Y828 WeakPolarHBondContact CE2-O 3.37Å; F620-P830 HydrophobicContact CD2-CG 4.15Å; F620-P830 HydrophobicContact CE2-CG 4.17Å; F620-V834 HydrophobicContact CB-CG1 3.79Å; F620-V834 HydrophobicContact CD1-CB 4.43Å; F620-V834 HydrophobicContact CD1-CG1 3.95Å; F620-V834 HydrophobicContact CG-CB 4.37Å; F620-V834 HydrophobicContact CG-CG1 3.97Å; F620-Y848 HydrophobicContact CD1-CE1 4.12Å; F620-Y848 AromaticContact CD1-CZ 3.95Å; F620-Y848 WeakPolarHBondContact CD1-OH 3.17Å; F620-Y848 AromaticContact CE1-CE1 3.8Å; F620-Y848 HydrophobicContact CE1-CE1 3.8Å; F620-Y848 HydrophobicContact CE1-CE2 4.32Å; F620-Y848 AromaticContact CE1-CZ 3.63Å; F620-I897 HydrophobicContact CE1-CG2 4.1Å; F620-I897 HydrophobicContact CZ-CG2 3.93Å
621M77.1Confident72.2Confident22 Ų2254.8 Ų54.811%0.10829%0.29CS..Hα-helixtrans-60.5-37.7171.6-72.3-173.4-76.900111.9E612 L617 M624 G625 V626 F847E612-M621 HydrophobicContact CG-CE 4.21Å; E612-M621 WeakPolarHBondContact OE1-CE 3.35Å; L617-M621 HydrophobicContact CB-CE 4.36Å; L617-M621 PolarHBondContact O-N 2.85Å; M621-M624 PolarHBondContact O-N 3.05Å; M621-G625 PolarHBondContact O-N 3.1Å; M621-V626 HydrophobicContact CB-CB 4.11Å; M621-V626 HydrophobicContact CB-CG2 4.11Å; M621-V626 VanDerWaalsContact O-CB 3.31Å; M621-V626 WeakPolarHBondContact O-CB 3.48Å; M621-V626 WeakPolarHBondContact O-CG2 3.29Å; M621-V626 PolarHBondContact O-N 3.31Å; M621-F847 HydrophobicContact SD-CZ 4.41Å
622R71.3Confident72.2Confident143 Ų14353.8 Ų53.854%0.5429%0.289SS..Hα-helixtrans-64.2-38174.6-169.2-179.5-177.1158.8-0.9112.5K618 A619 F620 M624 G625 V626 S628K618-R622 WeakPolarHBondContact O-CB 3.44Å; K618-R622 PolarHBondContact O-N 3.28Å; A619-R622 WeakPolarHBondContact O-CB 3.25Å; A619-R622 PolarHBondContact O-N 3.32Å; F620-R622 VanDerWaalsContact C-N 3.28Å; F620-R622 PolarHBondContact O-N 3.3Å; R622-M624 VanDerWaalsContact C-N 3.31Å; R622-M624 PolarHBondContact O-N 3.39Å; R622-G625 PolarHBondContact O-N 2.9Å; R622-V626 WeakPolarHBondContact CA-O 3.43Å; R622-S628 WeakPolarHBondContact CD-OG 3.4Å; R622-S628 PolarHBondContact NE-OG 2.7Å; R622-S628 PolarHBondContact NH1-OG 2.84Å
623T68Low72.2Confident9 Ų956.7 Ų56.76%0.05530%0.304CS..Hα-helixtrans-68.1-28.3173.343.90000113.7A619 F620 G625 L800 Y828A619-T623 PolarHBondContact O-N 3.01Å; A619-T623 PolarHBondContact O-OG1 2.94Å; F620-T623 WeakPolarHBondContact CA-OG1 3.28Å; F620-T623 PolarHBondContact O-N 3.04Å; F620-T623 VanDerWaalsContact O-N 3.16Å; F620-T623 PolarHBondContact O-OG1 2.68Å; T623-G625 PolarHBondContact O-N 2.95Å; T623-L800 HydrophobicContact CG2-CD2 3.46Å; T623-L800 VanDerWaalsContact CG2-CD2 3.46Å; T623-L800 HydrophobicContact CG2-CG 3.62Å; T623-Y828 HydrophobicContact CG2-CD1 4.26Å; T623-Y828 HydrophobicContact CG2-CE1 4.44Å
624M70.9Confident72.7Confident5 Ų553.6 Ų53.63%0.02530%0.302CS..THydrogen-bonded Turntrans-81.25.8174.4-65-67.3-177.200113.5F620 M621 R622 Y828 Y848 I897F620-M624 HydrophobicContact CE1-CE 4.12Å; F620-M624 HydrophobicContact CE2-CE 3.62Å; F620-M624 HydrophobicContact CZ-CE 3.35Å; F620-M624 WeakPolarHBondContact O-CG 3.39Å; F620-M624 PolarHBondContact O-N 2.75Å; F620-M624 VanDerWaalsContact O-N 3.08Å; M621-M624 PolarHBondContact O-N 3.05Å; R622-M624 VanDerWaalsContact C-N 3.31Å; R622-M624 PolarHBondContact O-N 3.39Å; M624-Y828 WeakPolarHBondContact CE-O 3.45Å; M624-Y848 HydrophobicContact CG-CD1 4.42Å; M624-Y848 HydrophobicContact CG-CE1 4.43Å; M624-I897 HydrophobicContact CE-CG2 3.95Å
625G65.8Low73.1Confident22 Ų2249.5 Ų49.523%0.22728%0.28CS..THydrogen-bonded Turntrans101-3.3176.200000116M621 R622 T623 G627 T823M621-G625 PolarHBondContact O-N 3.1Å; R622-G625 PolarHBondContact O-N 2.9Å; T623-G625 PolarHBondContact O-N 2.95Å; G625-G627 PolarHBondContact O-N 3.23Å; G625-T823 WeakPolarHBondContact CA-OG1 3.2Å
626V72.3Confident73.3Confident30 Ų3051.6 Ų51.618%0.18229%0.287CS..  trans-71.6100.1177.2-174.20000109.8M621 R622 S628 A630 N631 L851M621-V626 HydrophobicContact CB-CB 4.11Å; M621-V626 HydrophobicContact CB-CG2 4.11Å; M621-V626 VanDerWaalsContact O-CB 3.31Å; M621-V626 WeakPolarHBondContact O-CB 3.48Å; M621-V626 WeakPolarHBondContact O-CG2 3.29Å; M621-V626 PolarHBondContact O-N 3.31Å; R622-V626 WeakPolarHBondContact CA-O 3.43Å; V626-S628 PolarHBondContact O-N 2.89Å; V626-A630 HydrophobicContact CG1-CB 4.31Å; V626-N631 HydrophobicContact CG1-CB 4.27Å; V626-L851 HydrophobicContact CG2-CD1 4.35Å; V626-L851 HydrophobicContact CG2-CD2 3.79Å
627G67.6Low73.6Confident37 Ų3749.1 Ų49.138%0.38128%0.28SS..  trans-52.6136.4175.300000111.3G625 F629 A630 N631G625-G627 PolarHBondContact O-N 3.23Å; G627-F629 PolarHBondContact O-N 3.48Å; G627-F629 VanDerWaalsContact O-N 3.08Å; G627-A630 WeakPolarHBondContact O-CA 3.32Å; G627-A630 WeakPolarHBondContact O-CB 3.33Å; G627-A630 PolarHBondContact O-N 3.42Å; G627-N631 PolarHBondContact O-N 3.07Å
628S66.9Low73.7Confident17 Ų1753.5 Ų53.512%0.11930%0.3CS..Hα-helixtrans-64.6-19.9-173.5-55.20000113.8R622 V626 G632R622-S628 WeakPolarHBondContact CD-OG 3.4Å; R622-S628 PolarHBondContact NE-OG 2.7Å; R622-S628 PolarHBondContact NH1-OG 2.84Å; V626-S628 PolarHBondContact O-N 2.89Å; S628-G632 PolarHBondContact O-N 2.8Å
629F68.7Low73.6Confident161 Ų16154.6 Ų54.671%0.70631%0.305SS*.Hα-helixtrans-66.5-42166.2177.7-100.2000112.3G627 G632 L633G627-F629 PolarHBondContact O-N 3.48Å; G627-F629 VanDerWaalsContact O-N 3.08Å; F629-G632 CarbonylContact O-C 3.42Å; F629-G632 PolarHBondContact O-N 3.25Å; F629-L633 HydrophobicContact CE1-CB 4.48Å; F629-L633 HydrophobicContact CE1-CD2 4.02Å; F629-L633 HydrophobicContact CZ-CD2 4.43Å; F629-L633 VanDerWaalsContact O-CB 3.24Å; F629-L633 WeakPolarHBondContact O-CB 3.36Å; F629-L633 PolarHBondContact O-N 2.91Å
630A75.5Confident73.8Confident50 Ų5057.2 Ų57.241%0.41331%0.308SS..Hα-helixtrans-65.5-41178.600000112.1V626 G627 L633 A634V626-A630 HydrophobicContact CG1-CB 4.31Å; G627-A630 WeakPolarHBondContact O-CA 3.32Å; G627-A630 WeakPolarHBondContact O-CB 3.33Å; G627-A630 PolarHBondContact O-N 3.42Å; A630-L633 PolarHBondContact O-N 3.21Å; A630-A634 WeakPolarHBondContact O-CB 3.28Å; A630-A634 PolarHBondContact O-N 2.82Å
631N73.4Confident73.9Confident13 Ų1360.3 Ų60.37%0.0733%0.328CS..Hα-helixtrans-65.3-41.7171.9174.4-55000111.5E612 K618 V626 G627 L633 A634 W635E612-N631 PolarHBondContact OE1-ND2 3.49Å; K618-N631 PolarHBondContact NZ-OD1 3.3Å; V626-N631 HydrophobicContact CG1-CB 4.27Å; G627-N631 PolarHBondContact O-N 3.07Å; N631-L633 VanDerWaalsContact C-N 3.33Å; N631-L633 PolarHBondContact O-N 2.96Å; N631-A634 PolarHBondContact O-N 2.02Å; N631-W635 PolarHBondContact O-N 3.01Å; N631-W635 VanDerWaalsContact O-N 3.11Å
632G70.7Confident73.7Confident34 Ų3462.4 Ų62.435%0.35134%0.339SS..Hα-helixtrans-61.3-39.4172.700000113.3S628 F629 F636S628-G632 PolarHBondContact O-N 2.8Å; F629-G632 CarbonylContact O-C 3.42Å; F629-G632 PolarHBondContact O-N 3.25Å; G632-F636 WeakPolarHBondContact O-CB 3.31Å; G632-F636 PolarHBondContact O-N 3.24Å
633L78.8Confident73.7Confident76 Ų7656.7 Ų56.740%0.39832%0.319SS..Hα-helixtrans-70.5-37.5177.1-176.463.9000111.6F629 A630 N631 F636 V637F629-L633 HydrophobicContact CE1-CB 4.48Å; F629-L633 HydrophobicContact CE1-CD2 4.02Å; F629-L633 HydrophobicContact CZ-CD2 4.43Å; F629-L633 VanDerWaalsContact O-CB 3.24Å; F629-L633 WeakPolarHBondContact O-CB 3.36Å; F629-L633 PolarHBondContact O-N 2.91Å; A630-L633 PolarHBondContact O-N 3.21Å; N631-L633 VanDerWaalsContact C-N 3.33Å; N631-L633 PolarHBondContact O-N 2.96Å; L633-F636 HydrophobicContact CD1-CD1 4.18Å; L633-F636 CarbonylContact O-C 3.2Å; L633-F636 PolarHBondContact O-N 3.49Å; L633-V637 HydrophobicContact CD1-CG2 4.24Å; L633-V637 HydrophobicContact CG-CG2 4.37Å; L633-V637 WeakPolarHBondContact O-CB 3.4Å; L633-V637 VanDerWaalsContact O-CG2 3.28Å; L633-V637 WeakPolarHBondContact O-CG2 3.45Å; L633-V637 PolarHBondContact O-N 2.79Å
634A81.2Confident73.9Confident61 Ų6160.1 Ų60.150%0.50434%0.335SS..Hα-helixtrans-61.7-46.5173.800000111.3A630 N631 V637 H638A630-A634 WeakPolarHBondContact O-CB 3.28Å; A630-A634 PolarHBondContact O-N 2.82Å; N631-A634 PolarHBondContact O-N 2.02Å; A634-V637 PolarHBondContact O-N 2.77Å; A634-H638 WeakPolarHBondContact O-CB 3.44Å; A634-H638 PolarHBondContact O-N 3.43Å
635W79.3Confident74Confident63 Ų6364 Ų6424%0.23936%0.359CS..Hα-helixtrans-65.1-38.2172.6-79.7113.9000112.9I605 C608 L609 E612 N631 H638 F639I605-W635 HydrophobicContact CG2-CE3 4.31Å; C608-W635 HydrophobicContact CB-CH2 3.59Å; C608-W635 HydrophobicContact CB-CZ2 4.4Å; C608-W635 HydrophobicContact CB-CZ3 4.1Å; L609-W635 HydrophobicContact CD1-CD2 4.36Å; L609-W635 HydrophobicContact CD1-CG 4.16Å; E612-W635 PolarHBondContact OE2-NE1 3.18Å; N631-W635 PolarHBondContact O-N 3.01Å; N631-W635 VanDerWaalsContact O-N 3.11Å; W635-H638 AromaticContact CZ3-CD2 3.96Å; W635-H638 PolarHBondContact O-N 3.42Å; W635-F639 VanDerWaalsContact O-CB 3.22Å; W635-F639 WeakPolarHBondContact O-CB 3.44Å; W635-F639 PolarHBondContact O-N 3.05Å
636F74.4Confident74.3Confident110 Ų11064.6 Ų64.648%0.48236%0.36SS..Hα-helixtrans-63.3-42.9174.1176.5-95.4000111.9G632 L633 F639 F640G632-F636 WeakPolarHBondContact O-CB 3.31Å; G632-F636 PolarHBondContact O-N 3.24Å; L633-F636 HydrophobicContact CD1-CD1 4.18Å; L633-F636 CarbonylContact O-C 3.2Å; L633-F636 PolarHBondContact O-N 3.49Å; F636-F639 PolarHBondContact O-N 3.42Å; F636-F640 HydrophobicContact CE1-CB 4.35Å; F636-F640 HydrophobicContact CZ-CD2 4.4Å; F636-F640 WeakPolarHBondContact O-CA 3.43Å; F636-F640 WeakPolarHBondContact O-CB 3.4Å; F636-F640 PolarHBondContact O-N 2.9Å
637V82.5Confident74Confident72 Ų7263.3 Ų63.344%0.43635%0.353SS..Hα-helixtrans-68.5-36.9177.2169.60000111.1L633 A634 T641L633-V637 HydrophobicContact CD1-CG2 4.24Å; L633-V637 HydrophobicContact CG-CG2 4.37Å; L633-V637 WeakPolarHBondContact O-CB 3.4Å; L633-V637 VanDerWaalsContact O-CG2 3.28Å; L633-V637 WeakPolarHBondContact O-CG2 3.45Å; L633-V637 PolarHBondContact O-N 2.79Å; A634-V637 PolarHBondContact O-N 2.77Å; V637-T641 HydrophobicContact CG1-CG2 4.4Å; V637-T641 WeakPolarHBondContact O-CB 3.05Å; V637-T641 VanDerWaalsContact O-CG2 3.31Å; V637-T641 WeakPolarHBondContact O-CG2 3.33Å; V637-T641 PolarHBondContact O-N 2.85Å; V637-T641 PolarHBondContact O-OG1 2.98Å
638H80.5Confident73.8Confident98 Ų9863.5 Ų63.545%0.45435%0.351SS..Hα-helixtrans-67.2-42.9173.7-170.568.2000112.1A634 W635 T641 L642A634-H638 WeakPolarHBondContact O-CB 3.44Å; A634-H638 PolarHBondContact O-N 3.43Å; W635-H638 AromaticContact CZ3-CD2 3.96Å; W635-H638 PolarHBondContact O-N 3.42Å; H638-T641 WeakPolarHBondContact CA-OG1 3.43Å; H638-T641 PolarHBondContact O-OG1 3.01Å; H638-T641 VanDerWaalsContact O-OG1 3.11Å; H638-L642 WeakPolarHBondContact O-CB 3.44Å; H638-L642 PolarHBondContact O-N 2.69Å
639F73.2Confident73.7Confident72 Ų7268.8 Ų68.832%0.31638%0.375SS..Hα-helixtrans-64.6-43.8173.4179.1-106000112I605 W635 F636 L642 L643I605-F639 HydrophobicContact CD1-CB 4.21Å; I605-F639 HydrophobicContact CD1-CD2 3.8Å; W635-F639 VanDerWaalsContact O-CB 3.22Å; W635-F639 WeakPolarHBondContact O-CB 3.44Å; W635-F639 PolarHBondContact O-N 3.05Å; F636-F639 PolarHBondContact O-N 3.42Å; F639-L642 PolarHBondContact O-N 2.88Å; F639-L643 HydrophobicContact CD1-CD1 4.08Å; F639-L643 HydrophobicContact CE1-CD1 3.45Å; F639-L643 VanDerWaalsContact CE1-CD1 3.45Å; F639-L643 HydrophobicContact CE1-CG 4.3Å; F639-L643 HydrophobicContact CE2-CD1 3.98Å; F639-L643 HydrophobicContact CE2-CG 4.24Å; F639-L643 HydrophobicContact CZ-CD1 3.4Å; F639-L643 HydrophobicContact CZ-CG 4.15Å; F639-L643 WeakPolarHBondContact O-CB 3.16Å; F639-L643 WeakPolarHBondContact O-CG 3.46Å; F639-L643 PolarHBondContact O-N 2.9Å
640F74Confident73.3Confident101 Ų10163.1 Ų63.144%0.44335%0.352SS..Hα-helixtrans-67.6-38.7178.8-177.7-103000111.6F636 M644F636-F640 HydrophobicContact CE1-CB 4.35Å; F636-F640 HydrophobicContact CZ-CD2 4.4Å; F636-F640 WeakPolarHBondContact O-CA 3.43Å; F636-F640 WeakPolarHBondContact O-CB 3.4Å; F636-F640 PolarHBondContact O-N 2.9Å; F640-M644 HydrophobicContact CD1-CG 3.96Å; F640-M644 HydrophobicContact CD2-CG 3.87Å; F640-M644 HydrophobicContact CE1-CG 3.67Å; F640-M644 HydrophobicContact CE2-CG 3.57Å; F640-M644 HydrophobicContact CE2-SD 3.94Å; F640-M644 HydrophobicContact CG-CG 4.06Å; F640-M644 HydrophobicContact CZ-CG 3.47Å; F640-M644 VanDerWaalsContact CZ-CG 3.47Å; F640-M644 HydrophobicContact CZ-SD 3.98Å; F640-M644 WeakPolarHBondContact O-CA 3.25Å; F640-M644 WeakPolarHBondContact O-CB 3.12Å; F640-M644 WeakPolarHBondContact O-CG 3.3Å; F640-M644 PolarHBondContact O-N 2.92Å
641T79.6Confident72.4Confident71 Ų7164 Ų6444%0.43635%0.349SS..Hα-helixtrans-70.2-37.4175.146.10000112V637 H638 T645V637-T641 HydrophobicContact CG1-CG2 4.4Å; V637-T641 WeakPolarHBondContact O-CB 3.05Å; V637-T641 VanDerWaalsContact O-CG2 3.31Å; V637-T641 WeakPolarHBondContact O-CG2 3.33Å; V637-T641 PolarHBondContact O-N 2.85Å; V637-T641 PolarHBondContact O-OG1 2.98Å; H638-T641 WeakPolarHBondContact CA-OG1 3.43Å; H638-T641 PolarHBondContact O-OG1 3.01Å; H638-T641 VanDerWaalsContact O-OG1 3.11Å; T641-T645 WeakPolarHBondContact O-CB 3.05Å; T641-T645 WeakPolarHBondContact O-CG2 3.33Å; T641-T645 PolarHBondContact O-N 3.18Å; T641-T645 PolarHBondContact O-OG1 2.7Å
642L73.9Confident71.5Confident65 Ų6570.3 Ų70.334%0.3438%0.382SS..Hα-helixtrans-67.8-41.9173.1-170.570.3000112.4I605 H638 F639 T645 S646I605-L642 HydrophobicContact CD1-CD2 3.68Å; I605-L642 HydrophobicContact CG1-CD2 4.44Å; H638-L642 WeakPolarHBondContact O-CB 3.44Å; H638-L642 PolarHBondContact O-N 2.69Å; F639-L642 PolarHBondContact O-N 2.88Å; L642-T645 PolarHBondContact O-OG1 3.41Å; L642-T645 VanDerWaalsContact O-OG1 3.13Å; L642-S646 PolarHBondContact O-N 3.3Å; L642-S646 PolarHBondContact O-OG 2.8Å
643L70.7Confident70.7Confident24 Ų2474.2 Ų74.213%0.12640%0.399CS..Hα-helixtrans-71.5-38.4175.1-75.5-166.6000112.4W598 F639 S646 A647W598-L643 HydrophobicContact CD2-CD2 4.48Å; W598-L643 HydrophobicContact CG-CD2 4.02Å; F639-L643 HydrophobicContact CD1-CD1 4.08Å; F639-L643 HydrophobicContact CE1-CD1 3.45Å; F639-L643 VanDerWaalsContact CE1-CD1 3.45Å; F639-L643 HydrophobicContact CE1-CG 4.3Å; F639-L643 HydrophobicContact CE2-CD1 3.98Å; F639-L643 HydrophobicContact CE2-CG 4.24Å; F639-L643 HydrophobicContact CZ-CD1 3.4Å; F639-L643 HydrophobicContact CZ-CG 4.15Å; F639-L643 WeakPolarHBondContact O-CB 3.16Å; F639-L643 WeakPolarHBondContact O-CG 3.46Å; F639-L643 PolarHBondContact O-N 2.9Å; L643-S646 WeakPolarHBondContact CA-OG 3.42Å; L643-S646 PolarHBondContact O-OG 2.74Å; L643-A647 WeakPolarHBondContact O-CA 3.5Å; L643-A647 WeakPolarHBondContact O-CB 3.32Å; L643-A647 PolarHBondContact O-N 3.3Å
644M71.7Confident69.4Low80 Ų8075.5 Ų75.539%0.39441%0.405SS..Hα-helixtrans-74.4-29.5178.6-73.8-61.6-64.700112.8F640 A648F640-M644 HydrophobicContact CD1-CG 3.96Å; F640-M644 HydrophobicContact CD2-CG 3.87Å; F640-M644 HydrophobicContact CE1-CG 3.67Å; F640-M644 HydrophobicContact CE2-CG 3.57Å; F640-M644 HydrophobicContact CE2-SD 3.94Å; F640-M644 HydrophobicContact CG-CG 4.06Å; F640-M644 HydrophobicContact CZ-CG 3.47Å; F640-M644 VanDerWaalsContact CZ-CG 3.47Å; F640-M644 HydrophobicContact CZ-SD 3.98Å; F640-M644 WeakPolarHBondContact O-CA 3.25Å; F640-M644 WeakPolarHBondContact O-CB 3.12Å; F640-M644 WeakPolarHBondContact O-CG 3.3Å; F640-M644 PolarHBondContact O-N 2.92Å; M644-A648 WeakPolarHBondContact O-CA 3.28Å; M644-A648 WeakPolarHBondContact O-CB 3.41Å; M644-A648 PolarHBondContact O-N 2.67Å
645T74.2Confident67.7Low86 Ų8681.8 Ų81.853%0.52842%0.421SS..Hα-helixtrans-70.9-47.6171.646.60000111.1T641 L642 A648 M649T641-T645 WeakPolarHBondContact O-CB 3.05Å; T641-T645 WeakPolarHBondContact O-CG2 3.33Å; T641-T645 PolarHBondContact O-N 3.18Å; T641-T645 PolarHBondContact O-OG1 2.7Å; L642-T645 PolarHBondContact O-OG1 3.41Å; L642-T645 VanDerWaalsContact O-OG1 3.13Å; T645-A648 PolarHBondContact O-N 3.08Å; T645-M649 WeakPolarHBondContact O-CB 3.42Å; T645-M649 VanDerWaalsContact O-CG 3.31Å; T645-M649 WeakPolarHBondContact O-CG 3.44Å; T645-M649 PolarHBondContact O-N 3.16Å
646S71.6Confident66.2Low35 Ų3582.8 Ų82.825%0.24544%0.437CS..Hα-helixtrans-64.1-40.2174.255.40000112.6L642 L643 I650L642-S646 PolarHBondContact O-N 3.3Å; L642-S646 PolarHBondContact O-OG 2.8Å; L643-S646 WeakPolarHBondContact CA-OG 3.42Å; L643-S646 PolarHBondContact O-OG 2.74Å; S646-I650 WeakPolarHBondContact O-CD1 3.44Å; S646-I650 VanDerWaalsContact O-CG1 3.24Å; S646-I650 WeakPolarHBondContact O-CG1 3.3Å; S646-I650 PolarHBondContact O-N 2.88Å
647A64.8Low64.8Low3 Ų380.6 Ų80.63%0.02543%0.43CS..Hα-helixtrans-71.2-36.6175.800000113.1L643 I650 I651 L657L643-A647 WeakPolarHBondContact O-CA 3.5Å; L643-A647 WeakPolarHBondContact O-CB 3.32Å; L643-A647 PolarHBondContact O-N 3.3Å; A647-I650 CarbonylContact O-C 3.53Å; A647-I650 PolarHBondContact O-N 2.99Å; A647-I651 WeakPolarHBondContact O-CB 3.25Å; A647-I651 WeakPolarHBondContact O-CD1 3.42Å; A647-I651 WeakPolarHBondContact O-CG1 3.46Å; A647-I651 PolarHBondContact O-N 2.84Å; A647-L657 HydrophobicContact CB-CD2 3.75Å
648A65.1Low63.2Low42 Ų4280 Ų8035%0.34742%0.424SS..Hα-helixtrans-66.6-39.1174.200000111.5M644 T645 I650 I651 L652M644-A648 WeakPolarHBondContact O-CA 3.28Å; M644-A648 WeakPolarHBondContact O-CB 3.41Å; M644-A648 PolarHBondContact O-N 2.67Å; T645-A648 PolarHBondContact O-N 3.08Å; A648-I650 VanDerWaalsContact C-N 3.33Å; A648-I651 PolarHBondContact O-N 2.84Å; A648-L652 WeakPolarHBondContact O-CB 3.29Å; A648-L652 PolarHBondContact O-N 2.78Å
649M64Low61.9Low128 Ų12878.2 Ų78.263%0.63142%0.421SS*.Hα-helixtrans-62.6-39.8170.2-72.1-63-64.900111.7T645 V653T645-M649 WeakPolarHBondContact O-CB 3.42Å; T645-M649 VanDerWaalsContact O-CG 3.31Å; T645-M649 WeakPolarHBondContact O-CG 3.44Å; T645-M649 PolarHBondContact O-N 3.16Å; M649-V653 WeakPolarHBondContact O-CG2 3.31Å; M649-V653 PolarHBondContact O-N 2.97Å
650I60.4Low61Low42 Ų4280.1 Ų80.122%0.21543%0.431CS..Hα-helixtrans-65-45172.6-69.9163.2000110.7M594 S646 A647 A648 L652 V653 L654M594-I650 HydrophobicContact CE-CG2 4.33Å; S646-I650 WeakPolarHBondContact O-CD1 3.44Å; S646-I650 VanDerWaalsContact O-CG1 3.24Å; S646-I650 WeakPolarHBondContact O-CG1 3.3Å; S646-I650 PolarHBondContact O-N 2.88Å; A647-I650 CarbonylContact O-C 3.53Å; A647-I650 PolarHBondContact O-N 2.99Å; A648-I650 VanDerWaalsContact C-N 3.33Å; I650-L652 VanDerWaalsContact C-N 3.34Å; I650-L652 PolarHBondContact O-N 2.72Å; I650-V653 CarbonylContact O-C 3.58Å; I650-V653 PolarHBondContact O-N 2.69Å; I650-L654 CarbonylContact O-C 3.53Å; I650-L654 WeakPolarHBondContact O-CA 3.46Å; I650-L654 PolarHBondContact O-N 3.09Å; I650-L654 VanDerWaalsContact O-O 3.06Å
651I55.9Low60.1Low69 Ų6980.2 Ų80.235%0.35444%0.44SS..Hα-helixtrans-59.8-41.4178.4-71.1156000112A647 A648 V653 L654 L657A647-I651 WeakPolarHBondContact O-CB 3.25Å; A647-I651 WeakPolarHBondContact O-CD1 3.42Å; A647-I651 WeakPolarHBondContact O-CG1 3.46Å; A647-I651 PolarHBondContact O-N 2.84Å; A648-I651 PolarHBondContact O-N 2.84Å; I651-V653 PolarHBondContact O-N 2.82Å; I651-L654 VanDerWaalsContact CA-O 3.26Å; I651-L654 WeakPolarHBondContact CA-O 3.48Å; I651-L654 CarbonylContact O-C 3.53Å; I651-L654 PolarHBondContact O-N 3.45Å; I651-L657 HydrophobicContact CD1-CD1 4.1Å; I651-L657 HydrophobicContact CD1-CD2 3.85Å; I651-L657 HydrophobicContact CD1-CG 4.07Å; I651-L657 HydrophobicContact CG1-CD2 4.35Å; I651-L657 HydrophobicContact CG1-CG 4.28Å
652L55.9Low59Low145 Ų14577.5 Ų77.576%0.75942%0.424SS*.Hα-helixtrans-62.9-21176-98.5157.9000113.2A648 I650A648-L652 WeakPolarHBondContact O-CB 3.29Å; A648-L652 PolarHBondContact O-N 2.78Å; I650-L652 VanDerWaalsContact C-N 3.34Å; I650-L652 PolarHBondContact O-N 2.72Å
653V52.2Low58.2Low116 Ų11677.2 Ų77.270%0.70342%0.421SS*.Hα-helixtrans-104.6-32.6178.2179.60000112M649 I650 I651M649-V653 WeakPolarHBondContact O-CG2 3.31Å; M649-V653 PolarHBondContact O-N 2.97Å; I650-V653 CarbonylContact O-C 3.58Å; I650-V653 PolarHBondContact O-N 2.69Å; I651-V653 PolarHBondContact O-N 2.82Å
654L53.2Low57.5Low103 Ų10377.6 Ų77.654%0.53943%0.43SS..SBendtrans-151.4116.3-170.8-77.4134.7000110.3I650 I651I650-L654 CarbonylContact O-C 3.53Å; I650-L654 WeakPolarHBondContact O-CA 3.46Å; I650-L654 PolarHBondContact O-N 3.09Å; I650-L654 VanDerWaalsContact O-O 3.06Å; I651-L654 VanDerWaalsContact CA-O 3.26Å; I651-L654 WeakPolarHBondContact CA-O 3.48Å; I651-L654 CarbonylContact O-C 3.53Å; I651-L654 PolarHBondContact O-N 3.45Å
655K44.2Very low57.1Low193 Ų19380.1 Ų80.184%0.83944%0.436SS*.SBendtrans-59139.9175.9-66.4179.8177-179.90112.3
656C49.2Very low56.7Low83 Ų8376.2 Ų76.256%0.56141%0.412SS*.  trans84.4162169-58.70000118.8F663C656-F663 HydrophobicContact CB-CZ 4.39Å
657L45Very low56.2Low65 Ų6577.1 Ų77.134%0.3442%0.418SS..  trans-136.3154.5-150.7-71.1140.4000113.7A647 I651 F663A647-L657 HydrophobicContact CB-CD2 3.75Å; I651-L657 HydrophobicContact CD1-CD1 4.1Å; I651-L657 HydrophobicContact CD1-CD2 3.85Å; I651-L657 HydrophobicContact CD1-CG 4.07Å; I651-L657 HydrophobicContact CG1-CD2 4.35Å; I651-L657 HydrophobicContact CG1-CG 4.28Å; L657-F663 WeakPolarHBondContact O-CD1 3.28Å; L657-F663 WeakPolarHBondContact O-CE1 3.38Å; L657-F663 WeakPolarHBondContact O-CZ 3.1Å
658L49.2Very low56Low59 Ų5980.2 Ų80.231%0.30944%0.436SS..  trans19.9142.7143.9-64.4148.6000121.1W598W598-L658 HydrophobicContact CE3-CD2 4.12Å; W598-L658 HydrophobicContact CH2-CD2 3.25Å; W598-L658 HydrophobicContact CH2-CG 3.51Å; W598-L658 HydrophobicContact CZ2-CD2 3.81Å; W598-L658 HydrophobicContact CZ2-CG 3.99Å; W598-L658 HydrophobicContact CZ3-CD2 3.42Å; W598-L658 VanDerWaalsContact CZ3-CD2 3.42Å; W598-L658 HydrophobicContact CZ3-CG 4.16Å
659P53Low56.1Low61 Ų6178.6 Ų78.640%0.39642%0.422SS..  cis-132.6-168.3-22.539.9-20.4000113.7V661 F663P659-V661 PolarHBondContact O-N 2.91Å; P659-V661 VanDerWaalsContact O-N 3.15Å; P659-F663 WeakPolarHBondContact O-CB 3.44Å; P659-F663 PolarHBondContact O-N 3.02Å
660Q54.3Low56.2Low112 Ų11276.2 Ų76.252%0.52341%0.411SS..THydrogen-bonded Turn-71.3-20.8-125.9-62.4153.127.300120.3I595I595-Q660 HydrophobicContact CD1-CG 3.87Å; I595-Q660 HydrophobicContact CG1-CG 3.82Å
661V55Low56.4Low103 Ų10375 Ų7562%0.62441%0.406SS*.THydrogen-bonded Turntrans-126.9-56.5-176.6-175.80000112.7P659 F663 G664 W665P659-V661 PolarHBondContact O-N 2.91Å; P659-V661 VanDerWaalsContact O-N 3.15Å; V661-F663 VanDerWaalsContact C-N 3.31Å; V661-F663 PolarHBondContact O-N 3.18Å; V661-G664 WeakPolarHBondContact O-CA 3.42Å; V661-G664 PolarHBondContact O-N 3.26Å; V661-W665 PolarHBondContact O-N 3.03Å
662A55.6Low56.8Low14 Ų1472.8 Ų72.812%0.11640%0.397CS..Hα-helixtrans-60.1-40179.200000112.1G664 W665 G666 V700 L704A662-G664 VanDerWaalsContact C-N 3.26Å; A662-G664 PolarHBondContact O-N 3.34Å; A662-W665 PolarHBondContact O-N 3.32Å; A662-G666 PolarHBondContact O-N 3.22Å; A662-V700 HydrophobicContact CB-CG1 4.49Å; A662-V700 WeakPolarHBondContact O-CG1 3.26Å; A662-L704 HydrophobicContact CB-CD2 3.85Å; A662-L704 HydrophobicContact CB-CG 3.95Å
663F57.2Low57.4Low59 Ų5967 Ų6726%0.25937%0.365SS..Hα-helixtrans-67-25.4173.3-170.4-104.1000113C656 L657 P659 V661 G666 C667C656-F663 HydrophobicContact CB-CZ 4.39Å; L657-F663 WeakPolarHBondContact O-CD1 3.28Å; L657-F663 WeakPolarHBondContact O-CE1 3.38Å; L657-F663 WeakPolarHBondContact O-CZ 3.1Å; P659-F663 WeakPolarHBondContact O-CB 3.44Å; P659-F663 PolarHBondContact O-N 3.02Å; V661-F663 VanDerWaalsContact C-N 3.31Å; V661-F663 PolarHBondContact O-N 3.18Å; F663-G666 PolarHBondContact O-N 3Å; F663-C667 WeakPolarHBondContact CE1-SG 3.24Å; F663-C667 WeakPolarHBondContact CZ-SG 3.4Å; F663-C667 WeakPolarHBondContact O-CB 3.33Å; F663-C667 PolarHBondContact O-N 3.36Å
664G55.8Low58.2Low32 Ų3268.7 Ų68.733%0.3337%0.366SS..Hα-helixtrans-60.9-46.1171.100000111.6V661 A662 C667 T668V661-G664 WeakPolarHBondContact O-CA 3.42Å; V661-G664 PolarHBondContact O-N 3.26Å; A662-G664 VanDerWaalsContact C-N 3.26Å; A662-G664 PolarHBondContact O-N 3.34Å; G664-C667 PolarHBondContact O-N 3.06Å; G664-T668 PolarHBondContact O-N 2.89Å; G664-T668 VanDerWaalsContact O-N 3.11Å; G664-T668 PolarHBondContact O-OG1 3.29Å
665W64.2Low58.6Low133 Ų13370.2 Ų70.250%0.50437%0.37SS..Hα-helixtrans-68.5-35.5172.2-6997.2000112.8V661 A662 T668 I669 F695 V700V661-W665 PolarHBondContact O-N 3.03Å; A662-W665 PolarHBondContact O-N 3.32Å; W665-T668 WeakPolarHBondContact CA-OG1 3.41Å; W665-T668 PolarHBondContact O-N 3.33Å; W665-T668 PolarHBondContact O-OG1 3.29Å; W665-I669 WeakPolarHBondContact O-CB 3.42Å; W665-I669 WeakPolarHBondContact O-CD1 3.5Å; W665-I669 VanDerWaalsContact O-CG1 3.25Å; W665-I669 WeakPolarHBondContact O-CG1 3.46Å; W665-I669 PolarHBondContact O-N 2.91Å; W665-F695 HydrophobicContact CB-CE1 4.15Å; W665-F695 HydrophobicContact CG-CE1 4.37Å; W665-V700 HydrophobicContact CB-CG2 3.97Å
666G65.1Low59.6Low3 Ų364.3 Ų64.33%0.03135%0.35CS..Hα-helixtrans-60.2-46.1172.600000112.4A662 F663 I669 I670A662-G666 PolarHBondContact O-N 3.22Å; F663-G666 PolarHBondContact O-N 3Å; G666-I669 PolarHBondContact O-N 2.96Å; G666-I670 WeakPolarHBondContact O-CB 3.3Å; G666-I670 VanDerWaalsContact O-CG1 3.27Å; G666-I670 WeakPolarHBondContact O-CG1 3.44Å; G666-I670 PolarHBondContact O-N 2.64Å
667C60.1Low60.2Low54 Ų5464.8 Ų64.837%0.36536%0.36SS..Hα-helixtrans-64.6-37.8176.5-87.90000113.5F663 G664 S671F663-C667 WeakPolarHBondContact CE1-SG 3.24Å; F663-C667 WeakPolarHBondContact CZ-SG 3.4Å; F663-C667 WeakPolarHBondContact O-CB 3.33Å; F663-C667 PolarHBondContact O-N 3.36Å; G664-C667 PolarHBondContact O-N 3.06Å; C667-S671 WeakPolarHBondContact O-CB 3.45Å; C667-S671 PolarHBondContact O-N 3.32Å
668T62.5Low60.9Low68 Ų6866 Ų6642%0.41737%0.366SS..Hα-helixtrans-68.6-41.7175.452.20000111.6G664 W665 S671 S672G664-T668 PolarHBondContact O-N 2.89Å; G664-T668 VanDerWaalsContact O-N 3.11Å; G664-T668 PolarHBondContact O-OG1 3.29Å; W665-T668 WeakPolarHBondContact CA-OG1 3.41Å; W665-T668 PolarHBondContact O-N 3.33Å; W665-T668 PolarHBondContact O-OG1 3.29Å; T668-S671 PolarHBondContact O-N 3.49Å; T668-S672 PolarHBondContact O-N 3.43Å; T668-S672 PolarHBondContact O-OG 2.95Å
669I65.2Low61.5Low8 Ų867.3 Ų67.34%0.04138%0.381CS..Hα-helixtrans-62.9-51.2176.3-68166.5000111W665 G666 S671 S672 F673 T689 F695 L697 V700W665-I669 WeakPolarHBondContact O-CB 3.42Å; W665-I669 WeakPolarHBondContact O-CD1 3.5Å; W665-I669 VanDerWaalsContact O-CG1 3.25Å; W665-I669 WeakPolarHBondContact O-CG1 3.46Å; W665-I669 PolarHBondContact O-N 2.91Å; G666-I669 PolarHBondContact O-N 2.96Å; I669-S671 VanDerWaalsContact C-N 3.31Å; I669-S671 PolarHBondContact O-N 3.18Å; I669-S672 WeakPolarHBondContact O-CB 3.11Å; I669-S672 PolarHBondContact O-N 3.21Å; I669-F673 HydrophobicContact CG2-CD2 4.12Å; I669-F673 HydrophobicContact CG2-CE2 3.96Å; I669-F673 WeakPolarHBondContact O-CD2 3.42Å; I669-F673 PolarHBondContact O-N 3.05Å; I669-F673 VanDerWaalsContact O-N 3.16Å; I669-T689 HydrophobicContact CG2-CG2 4.16Å; I669-F695 HydrophobicContact CD1-CD1 4.29Å; I669-L697 HydrophobicContact CG2-CB 4.07Å; I669-V700 HydrophobicContact CD1-CG2 3.91Å
670I67.8Low61.7Low78 Ų7867.3 Ų67.340%0.438%0.377SS..Hα-helixtrans-59.3-44177.5-68.4165.4000110.5G666 S672 F673 E674 L680 L697G666-I670 WeakPolarHBondContact O-CB 3.3Å; G666-I670 VanDerWaalsContact O-CG1 3.27Å; G666-I670 WeakPolarHBondContact O-CG1 3.44Å; G666-I670 PolarHBondContact O-N 2.64Å; I670-S672 PolarHBondContact O-N 2.96Å; I670-F673 PolarHBondContact O-N 3.11Å; I670-E674 PolarHBondContact O-N 3.42Å; I670-L680 HydrophobicContact CG1-CD1 4.39Å; I670-L697 HydrophobicContact CD1-CD1 4.29Å; I670-L697 HydrophobicContact CG1-CD1 4.17Å; I670-L697 HydrophobicContact CG1-CD2 4.43Å
671S64Low62.4Low17 Ų1766.1 Ų66.112%0.11937%0.371CS..Hα-helixtrans-64.7-24.3176.1178.70000113.5K587 C667 T668 I669 Q675K587-S671 PolarHBondContact NZ-OG 3.4Å; C667-S671 WeakPolarHBondContact O-CB 3.45Å; C667-S671 PolarHBondContact O-N 3.32Å; T668-S671 PolarHBondContact O-N 3.49Å; I669-S671 VanDerWaalsContact C-N 3.31Å; I669-S671 PolarHBondContact O-N 3.18Å; S671-Q675 WeakPolarHBondContact O-CB 3.11Å; S671-Q675 WeakPolarHBondContact O-CG 3.29Å; S671-Q675 PolarHBondContact O-N 2.76Å; S671-Q675 VanDerWaalsContact O-N 3.09Å; S671-Q675 PolarHBondContact O-OE1 2.9Å
672S63.9Low63.1Low22 Ų2271.9 Ų71.915%0.15438%0.382CS..Hα-helixtrans-75.9-41.3174.9-68.20000111.8T668 I669 I670 Q675 T676T668-S672 PolarHBondContact O-N 3.43Å; T668-S672 PolarHBondContact O-OG 2.95Å; I669-S672 WeakPolarHBondContact O-CB 3.11Å; I669-S672 PolarHBondContact O-N 3.21Å; I670-S672 PolarHBondContact O-N 2.96Å; S672-Q675 PolarHBondContact O-N 3.47Å; S672-T676 PolarHBondContact O-N 3.48Å; S672-T676 PolarHBondContact O-OG1 3.17Å
673F68.7Low63.9Low23 Ų2378.8 Ų78.810%0.10141%0.406CS..Hα-helixtrans-62.7-44.1171.7-79.8-81.9000111.7I669 I670 Q675 T676 A677 L678 L680 E684 T689I669-F673 HydrophobicContact CG2-CD2 4.12Å; I669-F673 HydrophobicContact CG2-CE2 3.96Å; I669-F673 WeakPolarHBondContact O-CD2 3.42Å; I669-F673 PolarHBondContact O-N 3.05Å; I669-F673 VanDerWaalsContact O-N 3.16Å; I670-F673 PolarHBondContact O-N 3.11Å; F673-Q675 PolarHBondContact O-N 3.49Å; F673-T676 PolarHBondContact O-N 3.06Å; F673-T676 VanDerWaalsContact O-N 3.13Å; F673-T676 PolarHBondContact O-OG1 3.14Å; F673-A677 PolarHBondContact O-N 3.06Å; F673-L678 CarbonylContact C-O 3.43Å; F673-L678 PolarHBondContact O-N 3.47Å; F673-L678 VanDerWaalsContact O-O 3.09Å; F673-L680 HydrophobicContact CB-CB 4.47Å; F673-L680 HydrophobicContact CB-CD1 4.28Å; F673-L680 HydrophobicContact CD1-CG 4.32Å; F673-L680 HydrophobicContact CD2-CD1 3.46Å; F673-L680 VanDerWaalsContact CD2-CD1 3.46Å; F673-L680 HydrophobicContact CD2-CG 4Å; F673-L680 HydrophobicContact CE2-CD1 3.84Å; F673-L680 HydrophobicContact CE2-CG 4.2Å; F673-L680 HydrophobicContact CG-CB 4.43Å; F673-L680 HydrophobicContact CG-CD1 3.89Å; F673-L680 HydrophobicContact CG-CG 4.06Å; F673-L680 HydrophobicContact CZ-CG 4.46Å; F673-E684 HydrophobicContact CE1-CB 4.19Å; F673-E684 HydrophobicContact CZ-CB 4.44Å; F673-T689 HydrophobicContact CD2-CG2 4.04Å; F673-T689 HydrophobicContact CE2-CG2 3.35Å; F673-T689 HydrophobicContact CZ-CG2 3.78Å
674E68.3Low64.3Low153 Ų15376.9 Ų76.972%0.71540%0.398SS*.Hα-helixtrans-61.9-33175.2-166.5174.3-14500112I670 A677I670-E674 PolarHBondContact O-N 3.42Å; E674-A677 PolarHBondContact O-N 3.19Å
675Q62.1Low64.7Low134 Ų13477.2 Ų77.263%0.62639%0.392SS*.Hα-helixtrans-73.6-28.2173.8-81.3175.5-40.400114.4S671 S672 F673 A677S671-Q675 WeakPolarHBondContact O-CB 3.11Å; S671-Q675 WeakPolarHBondContact O-CG 3.29Å; S671-Q675 PolarHBondContact O-N 2.76Å; S671-Q675 VanDerWaalsContact O-N 3.09Å; S671-Q675 PolarHBondContact O-OE1 2.9Å; S672-Q675 PolarHBondContact O-N 3.47Å; F673-Q675 PolarHBondContact O-N 3.49Å; Q675-A677 PolarHBondContact O-N 2.92Å
676T64.5Low64.7Low69 Ų6977.8 Ų77.842%0.42340%0.398SS..THydrogen-bonded Turntrans-84.14.9173.257.60000113.2S672 F673 L678S672-T676 PolarHBondContact O-N 3.48Å; S672-T676 PolarHBondContact O-OG1 3.17Å; F673-T676 PolarHBondContact O-N 3.06Å; F673-T676 VanDerWaalsContact O-N 3.13Å; F673-T676 PolarHBondContact O-OG1 3.14Å; T676-L678 PolarHBondContact O-N 3.23Å
677A62.4Low64.7Low94 Ų9481.5 Ų81.578%0.77742%0.42SS*.THydrogen-bonded Turntrans58.717.3-175.400000114.9F673 E674 Q675F673-A677 PolarHBondContact O-N 3.06Å; E674-A677 PolarHBondContact O-N 3.19Å; Q675-A677 PolarHBondContact O-N 2.92Å
678L60.3Low64.7Low89 Ų8981.7 Ų81.747%0.46642%0.421SS..  trans-93.2120.5170.1-80126.3000109.6F673 T676F673-L678 CarbonylContact C-O 3.43Å; F673-L678 PolarHBondContact O-N 3.47Å; F673-L678 VanDerWaalsContact O-O 3.09Å; T676-L678 PolarHBondContact O-N 3.23Å
679S61.2Low64.3Low88 Ų8880.4 Ų80.462%0.61541%0.413SS*.  trans-68.6131.8165.339.80000109.1H681S679-H681 PolarHBondContact O-CE1 2.85Å; S679-H681 PolarHBondContact O-N 2.89Å; S679-H681 VanDerWaalsContact O-N 3.12Å; S679-H681 PolarHBondContact O-ND1 3.32Å
680L58.3Low63.8Low60 Ų6082.1 Ų82.131%0.31442%0.422SS..  trans-75.1103.3-169.2-159.4163.6000111.2I670 F673 L697I670-L680 HydrophobicContact CG1-CD1 4.39Å; F673-L680 HydrophobicContact CB-CB 4.47Å; F673-L680 HydrophobicContact CB-CD1 4.28Å; F673-L680 HydrophobicContact CD1-CG 4.32Å; F673-L680 HydrophobicContact CD2-CD1 3.46Å; F673-L680 VanDerWaalsContact CD2-CD1 3.46Å; F673-L680 HydrophobicContact CD2-CG 4Å; F673-L680 HydrophobicContact CE2-CD1 3.84Å; F673-L680 HydrophobicContact CE2-CG 4.2Å; F673-L680 HydrophobicContact CG-CB 4.43Å; F673-L680 HydrophobicContact CG-CD1 3.89Å; F673-L680 HydrophobicContact CG-CG 4.06Å; F673-L680 HydrophobicContact CZ-CG 4.46Å; L680-L697 HydrophobicContact CD1-CD2 3.66Å; L680-L697 HydrophobicContact CD2-CD2 3.97Å
681H68.9Low62.9Low87 Ų8785.8 Ų85.840%0.40345%0.448SS..  trans-84.8155.7179.9-69.169.6000112.3S679 Y683 E684 M685S679-H681 PolarHBondContact O-CE1 2.85Å; S679-H681 PolarHBondContact O-N 2.89Å; S679-H681 VanDerWaalsContact O-N 3.12Å; S679-H681 PolarHBondContact O-ND1 3.32Å; H681-Y683 HydrophobicContact CB-CD1 3.71Å; H681-Y683 HydrophobicContact CB-CE1 3.31Å; H681-Y683 HydrophobicContact CB-CG 4.49Å; H681-Y683 AromaticContact CD2-CE1 3.95Å; H681-Y683 AromaticContact CG-CE1 3.73Å; H681-Y683 PolarHBondContact O-N 3.07Å; H681-E684 HydrophobicContact CB-CG 4.14Å; H681-E684 PolarHBondContact N-OE2 2.88Å; H681-E684 IonicContact ND1-OE2 2.75Å; H681-E684 WeakPolarHBondContact O-CB 3.42Å; H681-E684 PolarHBondContact O-N 3.39Å; H681-M685 PolarHBondContact O-N 3.3Å
682W69.6Low62.5Low224 Ų22488.7 Ų88.785%0.84848%0.48SS*.THydrogen-bonded Turntrans-56.2-27.1-178.8-68.2104.7000114.9M685W682-M685 HydrophobicContact CE3-SD 4.23Å; W682-M685 WeakPolarHBondContact O-CB 3.48Å
683Y70.9Confident61.9Low159 Ų15991.9 Ų91.962%0.62450%0.496SS*.THydrogen-bonded Turntrans-80.3-22.3176.364.9-95.4000113.2H681 M685H681-Y683 HydrophobicContact CB-CD1 3.71Å; H681-Y683 HydrophobicContact CB-CE1 3.31Å; H681-Y683 HydrophobicContact CB-CG 4.49Å; H681-Y683 AromaticContact CD2-CE1 3.95Å; H681-Y683 AromaticContact CG-CE1 3.73Å; H681-Y683 PolarHBondContact O-N 3.07Å; Y683-M685 VanDerWaalsContact C-N 3.34Å
684E66.3Low61.4Low19 Ų1999.7 Ų99.79%0.08953%0.532CS..G310 helixtrans-83.1-16.8-177.7-56.6174.7151.700111.9F673 H681 F686 V687F673-E684 HydrophobicContact CE1-CB 4.19Å; F673-E684 HydrophobicContact CZ-CB 4.44Å; H681-E684 HydrophobicContact CB-CG 4.14Å; H681-E684 PolarHBondContact N-OE2 2.88Å; H681-E684 IonicContact ND1-OE2 2.75Å; H681-E684 WeakPolarHBondContact O-CB 3.42Å; H681-E684 PolarHBondContact O-N 3.39Å; E684-F686 PolarHBondContact O-N 2.8Å; E684-V687 WeakPolarHBondContact O-CB 3.49Å; E684-V687 PolarHBondContact O-N 3.31Å
685M64Low61.2Low40 Ų4095.4 Ų95.420%0.19751%0.511CS..G310 helixtrans-52-25.6-180-166.5-178.1-169.100114.8H681 W682 Y683 S698 L701H681-M685 PolarHBondContact O-N 3.3Å; W682-M685 HydrophobicContact CE3-SD 4.23Å; W682-M685 WeakPolarHBondContact O-CB 3.48Å; Y683-M685 VanDerWaalsContact C-N 3.34Å; M685-S698 VanDerWaalsContact O-CB 3.3Å; M685-S698 WeakPolarHBondContact O-CB 3.26Å; M685-S698 PolarHBondContact O-N 3.11Å; M685-S698 PolarHBondContact O-OG 2.81Å; M685-L701 HydrophobicContact CE-CD1 3.31Å
686F65.5Low61.4Low144 Ų14489.2 Ų89.263%0.63248%0.483SS*.G310 helixtrans-100.3-6.5178.9-64.6-85.4000114.3E684 P688E684-F686 PolarHBondContact O-N 2.8Å; F686-P688 WeakPolarHBondContact O-CD 3.26Å
687V64.8Low61.6Low81 Ų8186.9 Ų86.949%0.49147%0.468SS..SBendtrans-76.4119.9178.4-178.50000108.6E684 T689E684-V687 WeakPolarHBondContact O-CB 3.49Å; E684-V687 PolarHBondContact O-N 3.31Å; V687-T689 PolarHBondContact O-N 3.49Å
688P58.9Low62Low59 Ų5983.1 Ų83.138%0.38344%0.436SS..  trans-69.2126.417427.8-32.1000109.5F686 L690 N693F686-P688 WeakPolarHBondContact O-CD 3.26Å; P688-L690 PolarHBondContact O-N 3.29Å; P688-N693 WeakPolarHBondContact CB-O 3.32Å
689T55.6Low62.5Low41 Ų4180.5 Ų80.525%0.25242%0.424SS..SBendtrans-74.9-6.2-180550000113.4I669 F673 V687I669-T689 HydrophobicContact CG2-CG2 4.16Å; F673-T689 HydrophobicContact CD2-CG2 4.04Å; F673-T689 HydrophobicContact CE2-CG2 3.35Å; F673-T689 HydrophobicContact CZ-CG2 3.78Å; V687-T689 PolarHBondContact O-N 3.49Å
690L54.8Low62.9Low44 Ų4476.4 Ų76.423%0.2340%0.395CS..SBendtrans-117124.3175.6-91.767.9000110.6P688 G692 N693 Y1116P688-L690 PolarHBondContact O-N 3.29Å; L690-G692 PolarHBondContact O-N 2.9Å; L690-G692 VanDerWaalsContact O-N 3.11Å; L690-N693 HydrophobicContact CB-CB 4.17Å; L690-N693 HydrophobicContact CD2-CB 4.49Å; L690-N693 WeakPolarHBondContact CD2-ND2 3.5Å; L690-N693 PolarHBondContact O-N 2.99Å; L690-Y1116 WeakPolarHBondContact CD2-O 3.35Å
691T48.2Very low63.5Low155 Ų15577.4 Ų77.495%0.95140%0.4SS*.THydrogen-bonded Turntrans-60.6111.8164.850.20000110.1
692G54.5Low63.7Low77 Ų7778 Ų7879%0.79441%0.405SS*.THydrogen-bonded Turntrans109-9.4176.300000116L690L690-G692 PolarHBondContact O-N 2.9Å; L690-G692 VanDerWaalsContact O-N 3.11Å
693N52.3Low63.5Low90 Ų9071.6 Ų71.648%0.48139%0.386SS..  trans-120.9128.1176.9-77.4-37.6000111.1P688 L690 F695P688-N693 WeakPolarHBondContact CB-O 3.32Å; L690-N693 HydrophobicContact CB-CB 4.17Å; L690-N693 HydrophobicContact CD2-CB 4.49Å; L690-N693 WeakPolarHBondContact CD2-ND2 3.5Å; L690-N693 PolarHBondContact O-N 2.99Å; N693-F695 PolarHBondContact O-N 3.45Å
694H59Low63.3Low186 Ų18666 Ų6686%0.86137%0.366SS*.  trans-74.430.2176.5-64.4-73.2000114
695F62.5Low63.5Low64 Ų6466.7 Ų66.728%0.28138%0.379SS..  trans-108.5128.8-174.3-151.4-95.1000110.2W665 I669 N693 T699 V700 M703W665-F695 HydrophobicContact CB-CE1 4.15Å; W665-F695 HydrophobicContact CG-CE1 4.37Å; I669-F695 HydrophobicContact CD1-CD1 4.29Å; N693-F695 PolarHBondContact O-N 3.45Å; F695-T699 WeakPolarHBondContact CA-OG1 3.38Å; F695-T699 VanDerWaalsContact CD2-OG1 3.29Å; F695-T699 WeakPolarHBondContact CD2-OG1 3.44Å; F695-T699 VanDerWaalsContact CG-OG1 3.31Å; F695-T699 WeakPolarHBondContact CG-OG1 3.27Å; F695-V700 HydrophobicContact CD1-CG2 4.46Å; F695-V700 HydrophobicContact CE1-CG2 3.55Å; F695-V700 HydrophobicContact CZ-CG2 4.05Å; F695-M703 HydrophobicContact CE2-CE 3.85Å; F695-M703 HydrophobicContact CE2-SD 3.93Å; F695-M703 HydrophobicContact CZ-CE 4.34Å; F695-M703 HydrophobicContact CZ-SD 3.83Å
696G66.6Low63.8Low3 Ų369.2 Ų69.23%0.03139%0.392CS..  trans-150.4-175.1-17600000111.7S698 T699 V700G696-S698 PolarHBondContact O-N 3.35Å; G696-T699 PolarHBondContact N-OG1 2.9Å; G696-T699 PolarHBondContact O-N 2.95Å; G696-T699 VanDerWaalsContact O-N 3.1Å; G696-T699 PolarHBondContact O-OG1 2.91Å; G696-V700 PolarHBondContact O-N 3.09Å
697L68.7Low63.6Low21 Ų2165.6 Ų65.611%0.1138%0.38CS..Hα-helixtrans-64-33.6-179.5-170.464.1000111.6I669 I670 L680 T699 V700 L701I669-L697 HydrophobicContact CG2-CB 4.07Å; I670-L697 HydrophobicContact CD1-CD1 4.29Å; I670-L697 HydrophobicContact CG1-CD1 4.17Å; I670-L697 HydrophobicContact CG1-CD2 4.43Å; L680-L697 HydrophobicContact CD1-CD2 3.66Å; L680-L697 HydrophobicContact CD2-CD2 3.97Å; L697-T699 PolarHBondContact O-N 2.9Å; L697-V700 PolarHBondContact O-N 2.76Å; L697-L701 HydrophobicContact CD2-CD1 4.49Å; L697-L701 HydrophobicContact CG-CD1 4.05Å; L697-L701 PolarHBondContact O-N 3.24Å
698S71.7Confident63.7Low15 Ų1565.7 Ų65.711%0.10538%0.38CS..Hα-helixtrans-56.8-43.7170.659.40000113M685 G696 V700 L701 I702M685-S698 VanDerWaalsContact O-CB 3.3Å; M685-S698 WeakPolarHBondContact O-CB 3.26Å; M685-S698 PolarHBondContact O-N 3.11Å; M685-S698 PolarHBondContact O-OG 2.81Å; G696-S698 PolarHBondContact O-N 3.35Å; S698-V700 PolarHBondContact O-N 2.77Å; S698-L701 PolarHBondContact O-N 3Å; S698-I702 WeakPolarHBondContact O-CB 3.45Å; S698-I702 WeakPolarHBondContact O-CD1 3.48Å; S698-I702 WeakPolarHBondContact O-CG1 3.09Å; S698-I702 PolarHBondContact O-N 2.97Å
699T71.2Confident64Low33 Ų3364.9 Ų64.920%0.20238%0.378CS..Hα-helixtrans-70.1-33.1179.458.90000112.2F695 G696 L697 M703F695-T699 WeakPolarHBondContact CA-OG1 3.38Å; F695-T699 VanDerWaalsContact CD2-OG1 3.29Å; F695-T699 WeakPolarHBondContact CD2-OG1 3.44Å; F695-T699 VanDerWaalsContact CG-OG1 3.31Å; F695-T699 WeakPolarHBondContact CG-OG1 3.27Å; G696-T699 PolarHBondContact N-OG1 2.9Å; G696-T699 PolarHBondContact O-N 2.95Å; G696-T699 VanDerWaalsContact O-N 3.1Å; G696-T699 PolarHBondContact O-OG1 2.91Å; L697-T699 PolarHBondContact O-N 2.9Å; T699-M703 WeakPolarHBondContact O-CB 3.3Å; T699-M703 WeakPolarHBondContact O-CG 3.21Å; T699-M703 PolarHBondContact O-N 3.26Å
700V68.7Low64.2Low2 Ų266.2 Ų66.21%0.01239%0.387CS..Hα-helixtrans-65.5-43.3171.7173.70000111.7A662 W665 I669 F695 G696 L697 S698 M703 L704A662-V700 HydrophobicContact CB-CG1 4.49Å; A662-V700 WeakPolarHBondContact O-CG1 3.26Å; W665-V700 HydrophobicContact CB-CG2 3.97Å; I669-V700 HydrophobicContact CD1-CG2 3.91Å; F695-V700 HydrophobicContact CD1-CG2 4.46Å; F695-V700 HydrophobicContact CE1-CG2 3.55Å; F695-V700 HydrophobicContact CZ-CG2 4.05Å; G696-V700 PolarHBondContact O-N 3.09Å; L697-V700 PolarHBondContact O-N 2.76Å; S698-V700 PolarHBondContact O-N 2.77Å; V700-M703 PolarHBondContact O-N 3.1Å; V700-L704 HydrophobicContact CG1-CD1 4.11Å; V700-L704 WeakPolarHBondContact O-CG 3.38Å; V700-L704 PolarHBondContact O-N 3.19Å
701L71.3Confident64.4Low82 Ų8272 Ų7243%0.42941%0.407SS..Hα-helixtrans-73.2-30.9178.7-74.8166.1000112.7M685 L697 S698 G705M685-L701 HydrophobicContact CE-CD1 3.31Å; L697-L701 HydrophobicContact CD2-CD1 4.49Å; L697-L701 HydrophobicContact CG-CD1 4.05Å; L697-L701 PolarHBondContact O-N 3.24Å; S698-L701 PolarHBondContact O-N 3Å; L701-G705 PolarHBondContact O-N 2.83Å
702I73Confident65.1Low99 Ų9970.6 Ų70.651%0.50839%0.393SS..Hα-helixtrans-66.1-42.4168.2-71.5163.6000110.1S698 G705 I706S698-I702 WeakPolarHBondContact O-CB 3.45Å; S698-I702 WeakPolarHBondContact O-CD1 3.48Å; S698-I702 WeakPolarHBondContact O-CG1 3.09Å; S698-I702 PolarHBondContact O-N 2.97Å; I702-G705 PolarHBondContact O-N 2.92Å; I702-I706 HydrophobicContact CG2-CD1 3.68Å; I702-I706 HydrophobicContact CG2-CG1 4.37Å; I702-I706 WeakPolarHBondContact O-CB 3.38Å; I702-I706 VanDerWaalsContact O-CG1 3.22Å; I702-I706 WeakPolarHBondContact O-CG1 3.48Å; I702-I706 PolarHBondContact O-N 3.31Å
703M65.9Low65.5Low90 Ų9072.8 Ų72.844%0.44338%0.384SS..Hα-helixtrans-61.9-48.7173.7-79179.2167.800112.2F695 T699 V700 G705 I706 D707F695-M703 HydrophobicContact CE2-CE 3.85Å; F695-M703 HydrophobicContact CE2-SD 3.93Å; F695-M703 HydrophobicContact CZ-CE 4.34Å; F695-M703 HydrophobicContact CZ-SD 3.83Å; T699-M703 WeakPolarHBondContact O-CB 3.3Å; T699-M703 WeakPolarHBondContact O-CG 3.21Å; T699-M703 PolarHBondContact O-N 3.26Å; V700-M703 PolarHBondContact O-N 3.1Å; M703-G705 VanDerWaalsContact C-N 3.29Å; M703-G705 PolarHBondContact O-N 2.81Å; M703-I706 PolarHBondContact O-N 3.33Å; M703-D707 WeakPolarHBondContact O-CB 3.42Å; M703-D707 PolarHBondContact O-N 2.87Å
704L65.4Low65.5Low40 Ų4070.2 Ų70.221%0.20937%0.371CS..Hα-helixtrans-63.7-33.8176.1-72.2169.3000112.6A662 V700 T708A662-L704 HydrophobicContact CB-CD2 3.85Å; A662-L704 HydrophobicContact CB-CG 3.95Å; V700-L704 HydrophobicContact CG1-CD1 4.11Å; V700-L704 WeakPolarHBondContact O-CG 3.38Å; V700-L704 PolarHBondContact O-N 3.19Å; L704-T708 WeakPolarHBondContact O-CB 3.33Å; L704-T708 PolarHBondContact O-N 3.19Å; L704-T708 PolarHBondContact O-OG1 3.04Å
705G70.6Confident65.2Low34 Ų3464.5 Ų64.535%0.35135%0.35SS..Hα-helixtrans-68.9-38.6173.300000112.9L701 I702 M703 T708 A709L701-G705 PolarHBondContact O-N 2.83Å; I702-G705 PolarHBondContact O-N 2.92Å; M703-G705 VanDerWaalsContact C-N 3.29Å; M703-G705 PolarHBondContact O-N 2.81Å; G705-T708 WeakPolarHBondContact CA-OG1 3.41Å; G705-T708 PolarHBondContact O-OG1 2.73Å; G705-A709 WeakPolarHBondContact O-CB 3.44Å; G705-A709 PolarHBondContact O-N 3.26Å
706I70.3Confident64.8Low94 Ų9468.5 Ų68.548%0.48236%0.364SS..Hα-helixtrans-69-45.8173-71.9166.6000110.1I702 M703 T708 A709 V710I702-I706 HydrophobicContact CG2-CD1 3.68Å; I702-I706 HydrophobicContact CG2-CG1 4.37Å; I702-I706 WeakPolarHBondContact O-CB 3.38Å; I702-I706 VanDerWaalsContact O-CG1 3.22Å; I702-I706 WeakPolarHBondContact O-CG1 3.48Å; I702-I706 PolarHBondContact O-N 3.31Å; M703-I706 PolarHBondContact O-N 3.33Å; I706-T708 PolarHBondContact O-N 3.13Å; I706-A709 CarbonylContact O-C 3.52Å; I706-A709 PolarHBondContact O-N 3.3Å; I706-V710 HydrophobicContact CG2-CG2 4.22Å; I706-V710 WeakPolarHBondContact O-CB 3.44Å; I706-V710 VanDerWaalsContact O-CG2 3.27Å; I706-V710 WeakPolarHBondContact O-CG2 3.19Å; I706-V710 PolarHBondContact O-N 2.81Å
707D61.4Low64Low68 Ų6869.8 Ų69.836%0.36437%0.374SS..Hα-helixtrans-59-48.4176.8-76.1-16.9000110.8M703 V710 Y711M703-D707 WeakPolarHBondContact O-CB 3.42Å; M703-D707 PolarHBondContact O-N 2.87Å; D707-V710 PolarHBondContact O-N 3.36Å; D707-Y711 HydrophobicContact CB-CD2 4.26Å; D707-Y711 HydrophobicContact CB-CE2 4.12Å; D707-Y711 WeakPolarHBondContact O-CB 3.34Å; D707-Y711 WeakPolarHBondContact O-CD2 3.43Å; D707-Y711 PolarHBondContact O-N 3.31Å
708T66.3Low62.8Low82 Ų8272.5 Ų72.550%0.50339%0.386SS..Hα-helixtrans-66.5-37.9175.946.90000112.5L704 G705 I706 L712L704-T708 WeakPolarHBondContact O-CB 3.33Å; L704-T708 PolarHBondContact O-N 3.19Å; L704-T708 PolarHBondContact O-OG1 3.04Å; G705-T708 WeakPolarHBondContact CA-OG1 3.41Å; G705-T708 PolarHBondContact O-OG1 2.73Å; I706-T708 PolarHBondContact O-N 3.13Å; T708-L712 VanDerWaalsContact O-CB 3.26Å; T708-L712 WeakPolarHBondContact O-CB 3.22Å; T708-L712 WeakPolarHBondContact O-CD1 3.39Å; T708-L712 WeakPolarHBondContact O-CG 3.48Å; T708-L712 PolarHBondContact O-N 3.35Å
709A66.7Low61.7Low42 Ų4276 Ų7635%0.34740%0.403SS..Hα-helixtrans-62.1-43.1172.500000112G705 I706 L712 M713G705-A709 WeakPolarHBondContact O-CB 3.44Å; G705-A709 PolarHBondContact O-N 3.26Å; I706-A709 CarbonylContact O-C 3.52Å; I706-A709 PolarHBondContact O-N 3.3Å; A709-L712 PolarHBondContact O-N 3.45Å; A709-M713 WeakPolarHBondContact O-CB 3.36Å; A709-M713 VanDerWaalsContact O-CG 3.23Å; A709-M713 WeakPolarHBondContact O-CG 3.15Å; A709-M713 PolarHBondContact O-N 3.42Å
710V59.7Low60.4Low70 Ų7083.1 Ų83.142%0.42443%0.427SS..Hα-helixtrans-67.1-47177.4168.50000110.9I706 D707 L712 M713 V714I706-V710 HydrophobicContact CG2-CG2 4.22Å; I706-V710 WeakPolarHBondContact O-CB 3.44Å; I706-V710 VanDerWaalsContact O-CG2 3.27Å; I706-V710 WeakPolarHBondContact O-CG2 3.19Å; I706-V710 PolarHBondContact O-N 2.81Å; D707-V710 PolarHBondContact O-N 3.36Å; V710-L712 VanDerWaalsContact C-N 3.28Å; V710-L712 PolarHBondContact O-N 2.88Å; V710-M713 PolarHBondContact O-N 3.22Å; V710-V714 HydrophobicContact CG1-CG2 4.29Å; V710-V714 WeakPolarHBondContact O-CB 3.43Å; V710-V714 WeakPolarHBondContact O-CG2 3.26Å; V710-V714 PolarHBondContact O-N 3.45Å
711Y58.8Low59Low166 Ų16689.6 Ų89.665%0.65146%0.455SS*.Hα-helixtrans-70.6-19.3178.3-67-50.1000113.8D707 P715D707-Y711 HydrophobicContact CB-CD2 4.26Å; D707-Y711 HydrophobicContact CB-CE2 4.12Å; D707-Y711 WeakPolarHBondContact O-CB 3.34Å; D707-Y711 WeakPolarHBondContact O-CD2 3.43Å; D707-Y711 PolarHBondContact O-N 3.31Å; Y711-P715 WeakPolarHBondContact O-CD 3.5Å; Y711-P715 WeakPolarHBondContact O-CG 3.46Å
712L62.9Low57.5Low125 Ų12589.9 Ų89.965%0.65448%0.477SS*.Hα-helixtrans-85-38.9167.2-71169.6000112T708 A709 V710 W716T708-L712 VanDerWaalsContact O-CB 3.26Å; T708-L712 WeakPolarHBondContact O-CB 3.22Å; T708-L712 WeakPolarHBondContact O-CD1 3.39Å; T708-L712 WeakPolarHBondContact O-CG 3.48Å; T708-L712 PolarHBondContact O-N 3.35Å; A709-L712 PolarHBondContact O-N 3.45Å; V710-L712 VanDerWaalsContact C-N 3.28Å; V710-L712 PolarHBondContact O-N 2.88Å; L712-W716 VanDerWaalsContact O-CB 3.28Å; L712-W716 WeakPolarHBondContact O-CB 3.49Å; L712-W716 PolarHBondContact O-N 2.9Å
713M61.9Low55.8Low123 Ų12389.2 Ų89.261%0.60648%0.481SS*.Hα-helixtrans-69.2-36.4178.4-80.9-167.8-17900112.8A709 V710 W716 A717A709-M713 WeakPolarHBondContact O-CB 3.36Å; A709-M713 VanDerWaalsContact O-CG 3.23Å; A709-M713 WeakPolarHBondContact O-CG 3.15Å; A709-M713 PolarHBondContact O-N 3.42Å; V710-M713 PolarHBondContact O-N 3.22Å; M713-W716 PolarHBondContact O-N 3.47Å; M713-A717 WeakPolarHBondContact O-CB 3.48Å; M713-A717 PolarHBondContact O-N 3.27Å
714V52.6Low54.1Low35 Ų3591 Ų9121%0.21250%0.497CS..Hα-helixtrans-58-56.8-179.7157.60000111.4V710 W716 A717 E718 F726V710-V714 HydrophobicContact CG1-CG2 4.29Å; V710-V714 WeakPolarHBondContact O-CB 3.43Å; V710-V714 WeakPolarHBondContact O-CG2 3.26Å; V710-V714 PolarHBondContact O-N 3.45Å; V714-W716 VanDerWaalsContact C-N 3.3Å; V714-W716 PolarHBondContact O-N 3.33Å; V714-A717 PolarHBondContact O-N 3.05Å; V714-E718 PolarHBondContact O-N 2.79Å; V714-E718 VanDerWaalsContact O-N 3.09Å; V714-F726 HydrophobicContact CG1-CE1 4.47Å; V714-F726 HydrophobicContact CG1-CE2 3.52Å; V714-F726 HydrophobicContact CG1-CZ 3.47Å; V714-F726 VanDerWaalsContact CG1-CZ 3.47Å; V714-F726 HydrophobicContact CG2-CZ 4.3Å
715P53.4Low52.5Low67 Ų6791.3 Ų91.344%0.43550%0.498SS..Hα-helixtrans-63.9-32.9175.7-22.234.2000113.2Y711 L719Y711-P715 WeakPolarHBondContact O-CD 3.5Å; Y711-P715 WeakPolarHBondContact O-CG 3.46Å; P715-L719 WeakPolarHBondContact O-CB 3.39Å; P715-L719 PolarHBondContact O-N 3.29Å
716W54.2Low50.8Low147 Ų14796.5 Ų96.556%0.55751%0.512SS*.Hα-helixtrans-70.9-37.9179.3-175.185.2000112.6L712 M713 V714 L719 R720L712-W716 VanDerWaalsContact O-CB 3.28Å; L712-W716 WeakPolarHBondContact O-CB 3.49Å; L712-W716 PolarHBondContact O-N 2.9Å; M713-W716 PolarHBondContact O-N 3.47Å; V714-W716 VanDerWaalsContact C-N 3.3Å; V714-W716 PolarHBondContact O-N 3.33Å; W716-L719 WeakPolarHBondContact O-CB 3.37Å; W716-L719 PolarHBondContact O-N 3.12Å; W716-R720 VanDerWaalsContact CZ2-NH1 3.29Å; W716-R720 WeakPolarHBondContact O-CB 3.17Å; W716-R720 PolarHBondContact O-N 2.88Å
717A49.3Very low49.4Very low31 Ų31100.5 Ų100.526%0.25653%0.526SS..Hα-helixtrans-69.1-44.6176.400000111M713 V714 L719 R720 K721 M725M713-A717 WeakPolarHBondContact O-CB 3.48Å; M713-A717 PolarHBondContact O-N 3.27Å; V714-A717 PolarHBondContact O-N 3.05Å; A717-L719 VanDerWaalsContact C-N 3.29Å; A717-L719 PolarHBondContact O-N 2.95Å; A717-R720 PolarHBondContact O-N 2.82Å; A717-K721 PolarHBondContact O-N 3.13Å; A717-M725 HydrophobicContact CB-CE 3.68Å; A717-M725 VanDerWaalsContact O-CE 3.23Å; A717-M725 WeakPolarHBondContact O-CE 3.48Å
718E43.5Very low48.2Very low78 Ų7899.8 Ų99.836%0.36453%0.529SS..Hα-helixtrans-65.5-28.1170.8-68.3-162.1129.600113V714 K721V714-E718 PolarHBondContact O-N 2.79Å; V714-E718 VanDerWaalsContact O-N 3.09Å; E718-K721 VanDerWaalsContact O-O 3.05Å
719L48.3Very low46.7Very low88 Ų88103 Ų10346%0.46154%0.543SS..Hα-helixtrans-70.9-32.6171.1-117.472.8000112.9P715 W716 A717P715-L719 WeakPolarHBondContact O-CB 3.39Å; P715-L719 PolarHBondContact O-N 3.29Å; W716-L719 WeakPolarHBondContact O-CB 3.37Å; W716-L719 PolarHBondContact O-N 3.12Å; A717-L719 VanDerWaalsContact C-N 3.29Å; A717-L719 PolarHBondContact O-N 2.95Å
720R44.9Very low45.4Very low183 Ų183110.7 Ų110.769%0.69157%0.568SS**Hα-helixtrans-90.5-24.7-171.6-164169.2-175.2167.40.9113.4W716 A717W716-R720 VanDerWaalsContact CZ2-NH1 3.29Å; W716-R720 WeakPolarHBondContact O-CB 3.17Å; W716-R720 PolarHBondContact O-N 2.88Å; A717-R720 PolarHBondContact O-N 2.82Å
721K38.9Very low44.2Very low138 Ų138112.7 Ų112.760%0.658%0.581SS**SBendtrans-123.9111.2162.6-60.6-176.2-178.81790108.5A717 E718 S723 M725A717-K721 PolarHBondContact O-N 3.13Å; E718-K721 VanDerWaalsContact O-O 3.05Å; K721-S723 PolarHBondContact O-N 3.47Å; K721-M725 HydrophobicContact CB-CE 4.11Å; K721-M725 HydrophobicContact CD-CE 4.04Å; K721-M725 HydrophobicContact CD-SD 4.06Å; K721-M725 HydrophobicContact CG-CE 4.24Å
722G38.6Very low42.7Very low88 Ų88110 Ų11091%0.90759%0.594SS**SBendtrans-73.236.9-174.200000115.8
723S37.8Very low41.2Very low84 Ų84108.9 Ų108.959%0.58760%0.596SS**SBendtrans-141.3141.1174.6-1700000109.2K721 M725K721-S723 PolarHBondContact O-N 3.47Å; S723-M725 PolarHBondContact O-N 3.44Å; S723-M725 VanDerWaalsContact O-N 3.09Å
724T30.7Very low39.7Very low127 Ų127111.6 Ų111.678%0.77961%0.607SS**  trans-51.9108.3-168.347.80000112.9
725M32.4Very low38.6Very low47 Ų47115.5 Ų115.523%0.23263%0.631CS.*  trans-103-0.5-167.2-130-153.1-43.400115.6A717 K721 S723 F727 A728A717-M725 HydrophobicContact CB-CE 3.68Å; A717-M725 VanDerWaalsContact O-CE 3.23Å; A717-M725 WeakPolarHBondContact O-CE 3.48Å; K721-M725 HydrophobicContact CB-CE 4.11Å; K721-M725 HydrophobicContact CD-CE 4.04Å; K721-M725 HydrophobicContact CD-SD 4.06Å; K721-M725 HydrophobicContact CG-CE 4.24Å; S723-M725 PolarHBondContact O-N 3.44Å; S723-M725 VanDerWaalsContact O-N 3.09Å; M725-F727 PolarHBondContact O-N 3.32Å; M725-A728 HydrophobicContact CG-CB 3.93Å; M725-A728 PolarHBondContact O-N 3.25Å; M725-A728 HydrophobicContact SD-CB 4.39Å
726F35.1Very low37.3Very low144 Ų144123.7 Ų123.763%0.63265%0.654SS**THydrogen-bonded Turntrans-57.7-15.1-173.7-108.4-80.5000116V714V714-F726 HydrophobicContact CG1-CE1 4.47Å; V714-F726 HydrophobicContact CG1-CE2 3.52Å; V714-F726 HydrophobicContact CG1-CZ 3.47Å; V714-F726 VanDerWaalsContact CG1-CZ 3.47Å; V714-F726 HydrophobicContact CG2-CZ 4.3Å
727F39.4Very low35.9Very low178 Ų178125.8 Ų125.878%0.78167%0.667SS**THydrogen-bonded Turntrans-97.6-11.7175.5-97.3-92.9000114.7M725M725-F727 PolarHBondContact O-N 3.32Å
728A36.8Very low34.8Very low53 Ų53131.1 Ų131.144%0.43869%0.691SS.*G310 helixtrans-88.5-3.2-167.100000115.2M725 F730M725-A728 HydrophobicContact CG-CB 3.93Å; M725-A728 PolarHBondContact O-N 3.25Å; M725-A728 HydrophobicContact SD-CB 4.39Å; A728-F730 VanDerWaalsContact C-N 3.28Å; A728-F730 PolarHBondContact O-N 2.99Å
729L34.3Very low34Very low149 Ų149134.5 Ų134.578%0.7871%0.711SS**G310 helixtrans-78.8-2.5-173.3-95.5163.8000115.1
730F39.9Very low32.8Very low203 Ų203137.4 Ų137.489%0.8973%0.727SS**G310 helixtrans-114.11.8-179.3-90.8-83.3000115.3A728A728-F730 VanDerWaalsContact C-N 3.28Å; A728-F730 PolarHBondContact O-N 2.99Å
731T33.7Very low31.9Very low112 Ų112138.2 Ų138.269%0.68774%0.738SS**  trans-128.574.2179.344.60000112.1S733T731-S733 PolarHBondContact O-N 3.11Å; T731-S733 VanDerWaalsContact O-N 3.17Å
732A28.8Very low31.3Very low111 Ų111135.1 Ų135.192%0.91775%0.746SS**  trans-86.770.6179.100000113.1
733S30.2Very low30.5Very low100 Ų100138.2 Ų138.270%0.69975%0.747SS**  trans-162.9139161.1-1580000106.4T731T731-S733 PolarHBondContact O-N 3.11Å; T731-S733 VanDerWaalsContact O-N 3.17Å
734E31.6Very low29.9Very low181 Ų181143 Ų14385%0.84676%0.76SS**  cis-130164.632-65.4176.3133.700115.5
735T28.7Very low29.6Very low117 Ų117142.6 Ų142.672%0.71876%0.762SS**  trans-61140.9174.647.60000113.6
736W26.1Very low29.5Very low238 Ų238144 Ų14490%0.90278%0.776SS**  51.786.580.5-9780.8000114.8
737K25.5Very low29.5Very low191 Ų191146.1 Ų146.183%0.8379%0.789SS**  trans170.6145.2158.8-97.8152.9-171.8177.80107.5
738N26.2Very low29.3Very low144 Ų144143.1 Ų143.177%0.7779%0.79SS**  cis-120.11586.4-66-46.3000112.1
739L25.7Very low30.1Very low149 Ų149143.7 Ų143.778%0.7879%0.787SS**  trans-99.9167.1150.5-95.880.4000108.9
740N24.5Very low31Very low148 Ų148141 Ų14179%0.79177%0.774SS**  trans90.1157.1170.2-53-16000117.2
741E25.4Very low32Very low201 Ų201134.5 Ų134.594%0.93975%0.746SS**  trans74.7140.8171.8-59.7176.5-167.300117.1
742G25.8Very low33.6Very low73 Ų73131.7 Ų131.775%0.75373%0.725SS**  trans109.745.8173.800000118.2E744G742-E744 PolarHBondContact O-N 2.71Å
743T22Very low35Very low152 Ų152135.4 Ų135.493%0.93372%0.721SS**  trans-79.996162.4470000110.9
744E25.8Very low36.7Very low186 Ų186132.8 Ų132.887%0.86970%0.7SS**  trans-114.2142.9168.2-68.1-170.4147.800111.1G742G742-E744 PolarHBondContact O-N 2.71Å
745S24.3Very low38.4Very low118 Ų118132.4 Ų132.483%0.82570%0.704SS**PPolyproline II helixtrans-77.1125.4-169.849.90000112.7
746S30Very low40.4Very low75 Ų75130.7 Ų130.752%0.52469%0.69SS.*PPolyproline II helixtrans-74.2126.7168.7-56.50000110.4
747E34.5Very low42.8Very low190 Ų190123.3 Ų123.389%0.88867%0.673SS**PPolyproline II helixtrans-64.7144.8174.7-64-179.1124.900111.3V749E747-V749 PolarHBondContact O-N 3.13Å
748S34.8Very low45.1Very low115 Ų115116.5 Ų116.580%0.80465%0.647SS**PPolyproline II helixtrans-77.1116.1-173.255.40000112.4
749V53.3Low47.5Very low64 Ų64109.7 Ų109.739%0.38861%0.611SS.*PPolyproline II helixtrans-68.4143.1168.3-175.10000109.9E747 E751 L962E747-V749 PolarHBondContact O-N 3.13Å; V749-E751 PolarHBondContact O-N 3.47Å; V749-L962 HydrophobicContact CB-CD2 4.35Å; V749-L962 HydrophobicContact CG1-CD2 3.89Å; V749-L962 HydrophobicContact CG1-CG 4.39Å
750N54.7Low50.1Low92 Ų92102.6 Ų102.649%0.49257%0.574SS.*  trans-67114.3174.3-69.4-41000110.7
751E60.8Low52.8Low67 Ų6796 Ų9631%0.31354%0.539SS..BIsolated β-bridgetrans-121.6135.4173.1-72.7-164.3115.100112V749 K753 E785V749-E751 PolarHBondContact O-N 3.47Å; E751-K753 PolarHBondContact O-N 3.12Å; E751-E785 PolarHBondContact OE1-N 3.33Å
752E67.1Low55.5Low54 Ų5486.6 Ų86.625%0.25250%0.495SS..  trans-72.1114.9168.2-177.9174.7-156.200110.1V754 R953 S967 Y970E752-V754 HydrophobicContact CG-CG2 4.41Å; E752-R953 PolarHBondContact O-NH1 3.3Å; E752-R953 PolarHBondContact O-NH2 2.94Å; E752-S967 PolarHBondContact OE1-OG 2.89Å; E752-S967 VanDerWaalsContact OE2-CB 3.27Å; E752-S967 WeakPolarHBondContact OE2-CB 3.36Å; E752-S967 PolarHBondContact OE2-N 3.12Å; E752-S967 PolarHBondContact OE2-OG 3.19Å; E752-Y970 HydrophobicContact CB-CD1 4.01Å; E752-Y970 HydrophobicContact CB-CD2 4.01Å; E752-Y970 HydrophobicContact CB-CE1 3.92Å; E752-Y970 HydrophobicContact CB-CE2 3.93Å; E752-Y970 HydrophobicContact CB-CG 4.04Å; E752-Y970 HydrophobicContact CG-CD2 4.12Å; E752-Y970 HydrophobicContact CG-CE2 4.33Å; E752-Y970 HydrophobicContact CG-CG 4.35Å
753K57.8Low58.1Low189 Ų18985.4 Ų85.482%0.82247%0.474SS*.  trans-85.5132176.6-67.6-174.3176.9-177.10111.3E751E751-K753 PolarHBondContact O-N 3.12Å
754V66.5Low60.8Low44 Ų4481.9 Ų81.927%0.26745%0.449SS..  trans-125.8138.8-176.8-171.60000111E752 L756 Y787E752-V754 HydrophobicContact CG-CG2 4.41Å; V754-L756 HydrophobicContact CG1-CB 4.37Å; V754-L756 HydrophobicContact CG1-CD1 3.91Å; V754-L756 HydrophobicContact CG1-CG 4.01Å; V754-L756 PolarHBondContact O-N 3.34Å; V754-Y787 HydrophobicContact CB-CD2 3.92Å; V754-Y787 HydrophobicContact CB-CE1 4.3Å; V754-Y787 HydrophobicContact CB-CE2 3.65Å; V754-Y787 HydrophobicContact CB-CG 4.35Å; V754-Y787 HydrophobicContact CG2-CD2 4.11Å; V754-Y787 HydrophobicContact CG2-CE2 3.74Å; V754-Y787 PolarHBondContact N-OH 2.72Å; V754-Y787 VanDerWaalsContact O-CE1 3.3Å; V754-Y787 WeakPolarHBondContact O-CE1 3.32Å
755N66.9Low63.1Low174 Ų17473.7 Ų73.793%0.9341%0.411SS*.SBendtrans-79.963.9177.1-71-5.5000111.7
756L70.7Confident65.6Low80 Ų8068.4 Ų68.442%0.41937%0.374SS..SBendtrans-132.7157173.7-75.4172.5000109.4V754 Y787 Q790V754-L756 HydrophobicContact CG1-CB 4.37Å; V754-L756 HydrophobicContact CG1-CD1 3.91Å; V754-L756 HydrophobicContact CG1-CG 4.01Å; V754-L756 PolarHBondContact O-N 3.34Å; L756-Y787 HydrophobicContact CB-CD1 3.92Å; L756-Y787 HydrophobicContact CB-CG 4.08Å; L756-Y787 WeakPolarHBondContact O-CD1 3.36Å; L756-Q790 HydrophobicContact CD1-CG 4.38Å
757P75.8Confident67.6Low83 Ų8366.4 Ų66.454%0.53936%0.356SS..  trans-64.9141.4171.926.5-31.7000110.7G759 Y787 D788P757-G759 PolarHBondContact O-N 3.45Å; P757-Y787 WeakPolarHBondContact O-CA 3.44Å; P757-D788 HydrophobicContact CG-CB 3.87Å; P757-D788 PolarHBondContact O-N 3Å
758V75.1Confident69.3Low49 Ų4958.9 Ų58.930%0.29732%0.323SS..EExtended strand (participates in β ladder)trans-81.2112.7-179.7-179.70000109.5I760 E785 Y787V758-I760 WeakPolarHBondContact CG1-O 3.11Å; V758-E785 HydrophobicContact CG1-CB 4.2Å; V758-Y787 HydrophobicContact CG2-CD1 4.02Å; V758-Y787 HydrophobicContact CG2-CE1 3.82Å
759G75.9Confident70.8Confident0 Ų056.6 Ų56.60%030%0.298CS..EExtended strand (participates in β ladder)trans-78.9-35.7177.400000112.5P757 F786 I810 Y811P757-G759 PolarHBondContact O-N 3.45Å; G759-F786 PolarHBondContact N-O 3.41Å; G759-I810 CarbonylContact O-C 3.54Å; G759-I810 WeakPolarHBondContact O-CA 3.32Å; G759-Y811 PolarHBondContact O-N 3.23Å
760I80.1Confident70.9Confident1 Ų160 Ų601%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-139.9130.9176.8-44.6174.1000109.5V758 L762 F786 V808 L809 I810 V905V758-I760 WeakPolarHBondContact CG1-O 3.11Å; I760-L762 HydrophobicContact CG2-CD2 3.91Å; I760-F786 HydrophobicContact CB-CB 4.24Å; I760-F786 HydrophobicContact CB-CD2 4.16Å; I760-F786 HydrophobicContact CG2-CD2 4.47Å; I760-F786 PolarHBondContact N-O 3.29Å; I760-F786 PolarHBondContact O-N 3.05Å; I760-V808 HydrophobicContact CG2-CG1 4.37Å; I760-L809 CarbonylContact C-O 3.53Å; I760-L809 WeakPolarHBondContact CA-O 3.39Å; I760-I810 HydrophobicContact CG1-CG1 4.38Å; I760-I810 HydrophobicContact CG2-CG1 4.16Å; I760-V905 HydrophobicContact CD1-CG1 3.73Å; I760-V905 HydrophobicContact CG1-CG1 4.39Å; I760-V905 HydrophobicContact CG1-CG2 4.42Å
761S81.6Confident70.8Confident10 Ų1062.4 Ų62.47%0.0733%0.327CS..EExtended strand (participates in β ladder)trans-125.2127.3170.6-177.40000110.2E785 L809S761-E785 VanDerWaalsContact CB-OE1 3.26Å; S761-E785 WeakPolarHBondContact CB-OE1 3.18Å; S761-E785 PolarHBondContact OG-OE1 3.4Å; S761-L809 PolarHBondContact N-O 2.78Å; S761-L809 PolarHBondContact O-N 3.46Å
762L81.2Confident70.3Confident2 Ų261.9 Ų61.91%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-106.1131.9176.4-47.8-175.9000108.4I760 L765 L782 S783 V784 F786 L794 V797 V808I760-L762 HydrophobicContact CG2-CD2 3.91Å; L762-L765 HydrophobicContact CB-CD1 4.3Å; L762-L765 HydrophobicContact CD1-CD1 4.41Å; L762-L765 HydrophobicContact CD2-CD1 4.14Å; L762-L782 HydrophobicContact CD1-CD2 3.87Å; L762-S783 VanDerWaalsContact O-CA 3.23Å; L762-S783 WeakPolarHBondContact O-CA 3.45Å; L762-V784 HydrophobicContact CD1-CB 4.2Å; L762-V784 HydrophobicContact CD1-CG2 4.41Å; L762-V784 HydrophobicContact CG-CB 4.48Å; L762-V784 PolarHBondContact N-O 3.17Å; L762-V784 PolarHBondContact O-N 3.27Å; L762-V784 VanDerWaalsContact O-N 3.14Å; L762-F786 HydrophobicContact CD1-CE2 4.23Å; L762-L794 HydrophobicContact CD1-CD2 3.57Å; L762-V797 HydrophobicContact CD1-CG2 3.73Å; L762-V797 HydrophobicContact CD2-CG1 4.27Å; L762-V797 HydrophobicContact CD2-CG2 3.93Å; L762-V797 HydrophobicContact CG-CG2 4.46Å; L762-V808 HydrophobicContact CD2-CB 4.31Å; L762-V808 HydrophobicContact CD2-CG1 3.7Å; L762-V808 HydrophobicContact CD2-CG2 3.86Å
763T81.7Confident69.1Low49 Ų4966.7 Ų66.730%0.30136%0.363SS..EExtended strand (participates in β ladder)trans-133.2115.2-174.949.80000111.6L765 G806 S807T763-L765 PolarHBondContact O-N 2.84Å; T763-L765 VanDerWaalsContact O-N 3.09Å; T763-G806 CarbonylContact O-C 3.37Å; T763-G806 WeakPolarHBondContact O-CA 3.37Å; T763-S807 PolarHBondContact N-O 2.81Å; T763-S807 PolarHBondContact O-N 3.33Å; T763-S807 PolarHBondContact OG1-N 3.02Å; T763-S807 PolarHBondContact OG1-O 2.88Å; T763-S807 PolarHBondContact OG1-OG 2.76Å
764N78Confident68.8Low78 Ų7863.5 Ų63.542%0.41735%0.349SS..EExtended strand (participates in β ladder)trans45.439.3179.2-67.5-5.5000113.9T766 L782 S783 G806N764-T766 PolarHBondContact O-N 3.34Å; N764-T766 VanDerWaalsContact O-N 3.15Å; N764-L782 PolarHBondContact N-O 3.23Å; N764-S783 PolarHBondContact N-OG 3.27Å; N764-S783 PolarHBondContact OD1-OG 3.42Å; N764-S783 VanDerWaalsContact OD1-OG 3.05Å; N764-G806 WeakPolarHBondContact O-CA 3.46Å
765L75.2Confident68.2Low13 Ų1362.9 Ų62.97%0.06835%0.351CS..EExtended strand (participates in β ladder)trans-71.6109.3-170.2-147.3-179.5000109.8L762 T763 L779 N781 L782 P803 V808L762-L765 HydrophobicContact CB-CD1 4.3Å; L762-L765 HydrophobicContact CD1-CD1 4.41Å; L762-L765 HydrophobicContact CD2-CD1 4.14Å; T763-L765 PolarHBondContact O-N 2.84Å; T763-L765 VanDerWaalsContact O-N 3.09Å; L765-L779 HydrophobicContact CD2-CD1 3.94Å; L765-N781 PolarHBondContact O-N 3.39Å; L765-L782 HydrophobicContact CB-CB 4.14Å; L765-L782 VanDerWaalsContact CB-O 3.24Å; L765-L782 WeakPolarHBondContact CB-O 3.28Å; L765-L782 PolarHBondContact N-O 3.2Å; L765-L782 WeakPolarHBondContact O-CB 3.38Å; L765-L782 PolarHBondContact O-N 2.74Å; L765-P803 HydrophobicContact CD2-CB 3.79Å; L765-P803 HydrophobicContact CG-CB 4.42Å; L765-V808 HydrophobicContact CD1-CG2 3.46Å; L765-V808 VanDerWaalsContact CD1-CG2 3.46Å; L765-V808 HydrophobicContact CG-CG2 4.15Å
766T75.9Confident67.9Low7 Ų761.9 Ų61.94%0.04334%0.338CS..EExtended strand (participates in β ladder)trans-117.2134.8179.2-73.70000109N764 L779 N781 S804 H805N764-T766 PolarHBondContact O-N 3.34Å; N764-T766 VanDerWaalsContact O-N 3.15Å; T766-L779 WeakPolarHBondContact CA-O 3.46Å; T766-N781 PolarHBondContact OG1-N 3.38Å; T766-N781 PolarHBondContact OG1-OD1 3.15Å; T766-S804 WeakPolarHBondContact O-CA 3.15Å; T766-S804 WeakPolarHBondContact O-CB 3.46Å; T766-S804 PolarHBondContact O-N 3.08Å; T766-H805 PolarHBondContact N-O 3.08Å; T766-H805 PolarHBondContact O-N 3.44Å
767K72.8Confident67.7Low33 Ų3366.4 Ų66.414%0.14335%0.35CS..EExtended strand (participates in β ladder)trans-132.2125.1178.1-175.766.2-163.9161.80111.4F769 A778 L779 P802K767-F769 HydrophobicContact CG-CD2 4.14Å; K767-F769 HydrophobicContact CG-CE2 3.69Å; K767-F769 HydrophobicContact CG-CZ 4.1Å; K767-A778 PolarHBondContact O-N 2.88Å; K767-L779 HydrophobicContact CB-CB 3.95Å; K767-L779 PolarHBondContact N-O 3.45Å; K767-L779 PolarHBondContact O-N 3.22Å; K767-P802 VanDerWaalsContact CD-O 3.24Å; K767-P802 WeakPolarHBondContact CD-O 3.49Å; K767-P802 WeakPolarHBondContact CE-O 3.37Å; K767-P802 PolarHBondContact NZ-O 3.12Å
768V70.4Confident67.4Low32 Ų3264.2 Ų64.219%0.19434%0.339CS..EExtended strand (participates in β ladder)trans-112.5141170.4-165.80000108.6R777 S804V768-R777 HydrophobicContact CG2-CG 4.25Å; V768-S804 PolarHBondContact N-OG 3.24Å
769F64.8Low67.3Low67 Ų6762.1 Ų62.129%0.29433%0.326SS..EExtended strand (participates in β ladder)trans-112.2121.4172.3-73.2-87.2000110.5K767 N771 K776 A778 F801K767-F769 HydrophobicContact CG-CD2 4.14Å; K767-F769 HydrophobicContact CG-CE2 3.69Å; K767-F769 HydrophobicContact CG-CZ 4.1Å; F769-N771 VanDerWaalsContact C-N 3.32Å; F769-N771 PolarHBondContact O-N 3.21Å; F769-K776 PolarHBondContact N-O 2.79Å; F769-K776 PolarHBondContact O-N 3.47Å; F769-A778 HydrophobicContact CD2-CB 3.69Å; F769-A778 HydrophobicContact CE2-CB 3.67Å; F769-F801 HydrophobicContact CE1-CB 4.39Å; F769-F801 AromaticContact CE1-CD1 3.83Å; F769-F801 HydrophobicContact CE1-CD1 3.83Å; F769-F801 AromaticContact CE1-CD2 3.75Å; F769-F801 HydrophobicContact CE1-CD2 3.75Å; F769-F801 AromaticContact CE1-CE1 3.98Å; F769-F801 HydrophobicContact CE1-CE1 3.98Å; F769-F801 AromaticContact CE1-CE2 3.89Å; F769-F801 HydrophobicContact CE1-CE2 3.89Å; F769-F801 AromaticContact CE1-CG 3.71Å; F769-F801 HydrophobicContact CE1-CG 3.71Å; F769-F801 HydrophobicContact CE1-CZ 4.01Å; F769-F801 AromaticContact CZ-CD2 3.84Å; F769-F801 HydrophobicContact CZ-CD2 3.84Å; F769-F801 HydrophobicContact CZ-CE2 4.19Å; F769-F801 HydrophobicContact CZ-CG 4.1Å
770D56.9Low67.1Low136 Ų13664.2 Ų64.273%0.72734%0.337SS*.  trans-79.776.3-177.4-58.5-30.3000111.2
771N51.1Low66.8Low142 Ų14268 Ų6876%0.75936%0.357SS*.SBendtrans-104.255.4175-76.8-27.2000110.9F769F769-N771 VanDerWaalsContact C-N 3.32Å; F769-N771 PolarHBondContact O-N 3.21Å
772G50.3Low66.6Low57 Ų5767.5 Ų67.559%0.58835%0.354SS*.SBendtrans97.3-173.9-175.600000113.7K774G772-K774 PolarHBondContact O-N 3.28Å
773E43.2Very low66.4Low155 Ų15569.5 Ų69.572%0.72437%0.368SS*.SBendtrans-56.6-22.6-168.9-59.2-179.3153.500115.1
774K50.6Low66.4Low122 Ų12267.3 Ų67.353%0.5335%0.354SS..SBendtrans-111.374178.6-73.1160.1-1731600109.4G772 K776 A1072G772-K774 PolarHBondContact O-N 3.28Å; K774-K776 PolarHBondContact O-N 3.37Å; K774-A1072 PolarHBondContact NZ-O 3.36Å
775G53.6Low66.5Low30 Ų3066.9 Ų66.931%0.30935%0.35SS..  trans-51.2119-179.300000112.2R777G775-R777 PolarHBondContact O-N 2.94Å
776K60.3Low66.8Low154 Ų15466.3 Ų66.367%0.6735%0.347SS*.EExtended strand (participates in β ladder)trans-80.4113.3-170.2-173175.6179.7-179.10110.2F769 K774 A778F769-K776 PolarHBondContact N-O 2.79Å; F769-K776 PolarHBondContact O-N 3.47Å; K774-K776 PolarHBondContact O-N 3.37Å; K776-A778 PolarHBondContact O-N 3.02Å
777R66.3Low67Low175 Ų17566.8 Ų66.866%0.6635%0.348SS*.EExtended strand (participates in β ladder)trans-64.1126.9167.8-55.8-168.4-176.7-167.44.5109.1V768 G775V768-R777 HydrophobicContact CG2-CG 4.25Å; G775-R777 PolarHBondContact O-N 2.94Å
778A69.5Low67.3Low37 Ų3767.6 Ų67.631%0.30635%0.354SS..EExtended strand (participates in β ladder)trans-120-25.9179.300000112.5K767 F769 K776 G960K767-A778 PolarHBondContact O-N 2.88Å; F769-A778 HydrophobicContact CD2-CB 3.69Å; F769-A778 HydrophobicContact CE2-CB 3.67Å; K776-A778 PolarHBondContact O-N 3.02Å; A778-G960 VanDerWaalsContact O-CA 3.23Å; A778-G960 WeakPolarHBondContact O-CA 3.38Å
779L72.9Confident67.4Low4 Ų467.1 Ų67.12%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-131.1147163.4-79.4177.1000109.4L765 T766 K767 L782 I796 I957 G960L765-L779 HydrophobicContact CD2-CD1 3.94Å; T766-L779 WeakPolarHBondContact CA-O 3.46Å; K767-L779 HydrophobicContact CB-CB 3.95Å; K767-L779 PolarHBondContact N-O 3.45Å; K767-L779 PolarHBondContact O-N 3.22Å; L779-L782 HydrophobicContact CD1-CD2 4.26Å; L779-L782 HydrophobicContact CD2-CB 4.14Å; L779-L782 HydrophobicContact CD2-CD1 4.18Å; L779-L782 HydrophobicContact CD2-CD2 4Å; L779-L782 HydrophobicContact CD2-CG 4.34Å; L779-I796 HydrophobicContact CD1-CB 4.18Å; L779-I796 HydrophobicContact CD1-CD1 4.33Å; L779-I796 HydrophobicContact CD1-CG2 3.83Å; L779-I796 HydrophobicContact CD2-CD1 3.82Å; L779-I796 HydrophobicContact CG-CD1 3.95Å; L779-I796 HydrophobicContact CG-CG2 4.47Å; L779-I957 HydrophobicContact CD2-CD1 4.41Å; L779-G960 CarbonylContact C-O 3.53Å; L779-G960 WeakPolarHBondContact CA-O 3.43Å; L779-G960 WeakPolarHBondContact CD2-O 3.49Å
780N73.7Confident68.1Low44 Ų4465 Ų6524%0.23535%0.347CS..EExtended strand (participates in β ladder)trans-143.8104.9-178.4-168.463000109.4L782 G960 Q961N780-L782 PolarHBondContact O-N 3.29Å; N780-G960 PolarHBondContact N-O 3.47Å; N780-Q961 HydrophobicContact CB-CG 4.1Å; N780-Q961 PolarHBondContact ND2-NE2 3.14Å; N780-Q961 WeakPolarHBondContact O-CG 3.11Å
781N73.5Confident68.6Low81 Ų8158.6 Ų58.643%0.43331%0.312SS..EExtended strand (participates in β ladder)trans4947.9-179.7-66.6-1.1000115L765 T766 S783L765-N781 PolarHBondContact O-N 3.39Å; T766-N781 PolarHBondContact OG1-N 3.38Å; T766-N781 PolarHBondContact OG1-OD1 3.15Å; N781-S783 PolarHBondContact O-N 2.78Å
782L76Confident69.1Low0 Ų051.9 Ų51.90%028%0.277CS..EExtended strand (participates in β ladder)trans-75.4118.7176-170.590.4000111.1L762 N764 L765 L779 N780 V784 I957 L962L762-L782 HydrophobicContact CD1-CD2 3.87Å; N764-L782 PolarHBondContact N-O 3.23Å; L765-L782 HydrophobicContact CB-CB 4.14Å; L765-L782 VanDerWaalsContact CB-O 3.24Å; L765-L782 WeakPolarHBondContact CB-O 3.28Å; L765-L782 PolarHBondContact N-O 3.2Å; L765-L782 WeakPolarHBondContact O-CB 3.38Å; L765-L782 PolarHBondContact O-N 2.74Å; L779-L782 HydrophobicContact CD1-CD2 4.26Å; L779-L782 HydrophobicContact CD2-CB 4.14Å; L779-L782 HydrophobicContact CD2-CD1 4.18Å; L779-L782 HydrophobicContact CD2-CD2 4Å; L779-L782 HydrophobicContact CD2-CG 4.34Å; N780-L782 PolarHBondContact O-N 3.29Å; L782-V784 HydrophobicContact CG-CG2 4.27Å; L782-I957 HydrophobicContact CD1-CD1 3.83Å; L782-I957 HydrophobicContact CD1-CG1 3.97Å; L782-I957 HydrophobicContact CD2-CD1 4.33Å; L782-L962 HydrophobicContact CD1-CB 3.8Å
783S78.8Confident69.4Low44 Ų4449.8 Ų49.831%0.30825%0.253SS..EExtended strand (participates in β ladder)trans-123.9129.5170.7-63.20000109.6L762 N764 N781L762-S783 VanDerWaalsContact O-CA 3.23Å; L762-S783 WeakPolarHBondContact O-CA 3.45Å; N764-S783 PolarHBondContact N-OG 3.27Å; N764-S783 PolarHBondContact OD1-OG 3.42Å; N764-S783 VanDerWaalsContact OD1-OG 3.05Å; N781-S783 PolarHBondContact O-N 2.78Å
784V79.7Confident70.2Confident2 Ų242.6 Ų42.61%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-157.2141.2-178-171.10000109.7L762 L782 F786 L962 C965L762-V784 HydrophobicContact CD1-CB 4.2Å; L762-V784 HydrophobicContact CD1-CG2 4.41Å; L762-V784 HydrophobicContact CG-CB 4.48Å; L762-V784 PolarHBondContact N-O 3.17Å; L762-V784 PolarHBondContact O-N 3.27Å; L762-V784 VanDerWaalsContact O-N 3.14Å; L782-V784 HydrophobicContact CG-CG2 4.27Å; V784-F786 HydrophobicContact CB-CE2 4.17Å; V784-F786 HydrophobicContact CB-CZ 4.2Å; V784-F786 HydrophobicContact CG1-CD1 4.43Å; V784-F786 HydrophobicContact CG1-CD2 4.4Å; V784-F786 HydrophobicContact CG1-CE1 3.78Å; V784-F786 HydrophobicContact CG1-CE2 3.75Å; V784-F786 HydrophobicContact CG1-CZ 3.4Å; V784-L962 HydrophobicContact CG2-CD1 3.93Å; V784-L962 HydrophobicContact CG2-CD2 3.91Å; V784-L962 HydrophobicContact CG2-CG 4.45Å; V784-C965 HydrophobicContact CG1-CB 4.49Å
785E80.8Confident70.4Confident70 Ų7040.2 Ų40.233%0.32722%0.218SC..EExtended strand (participates in β ladder)trans-112.7139.5168.4-55.2-151.9127.200113.8E751 V758 S761 R953E751-E785 PolarHBondContact OE1-N 3.33Å; V758-E785 HydrophobicContact CG1-CB 4.2Å; S761-E785 VanDerWaalsContact CB-OE1 3.26Å; S761-E785 WeakPolarHBondContact CB-OE1 3.18Å; S761-E785 PolarHBondContact OG-OE1 3.4Å; E785-R953 PolarHBondContact O-NH2 3.43Å
786F80.9Confident70.3Confident1 Ų142.2 Ų42.20%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-124.1134.2176-57.5-69.8000111G759 I760 L762 V784 A792 L794 L938G759-F786 PolarHBondContact N-O 3.41Å; I760-F786 HydrophobicContact CB-CB 4.24Å; I760-F786 HydrophobicContact CB-CD2 4.16Å; I760-F786 HydrophobicContact CG2-CD2 4.47Å; I760-F786 PolarHBondContact N-O 3.29Å; I760-F786 PolarHBondContact O-N 3.05Å; L762-F786 HydrophobicContact CD1-CE2 4.23Å; V784-F786 HydrophobicContact CB-CE2 4.17Å; V784-F786 HydrophobicContact CB-CZ 4.2Å; V784-F786 HydrophobicContact CG1-CD1 4.43Å; V784-F786 HydrophobicContact CG1-CD2 4.4Å; V784-F786 HydrophobicContact CG1-CE1 3.78Å; V784-F786 HydrophobicContact CG1-CE2 3.75Å; V784-F786 HydrophobicContact CG1-CZ 3.4Å; F786-A792 HydrophobicContact CD1-CB 3.35Å; F786-A792 HydrophobicContact CE1-CB 3.64Å; F786-A792 HydrophobicContact CG-CB 4.21Å; F786-L794 HydrophobicContact CE2-CB 4.4Å; F786-L794 HydrophobicContact CE2-CD2 3.48Å; F786-L794 VanDerWaalsContact CE2-CD2 3.48Å; F786-L794 HydrophobicContact CE2-CG 4.47Å; F786-L794 HydrophobicContact CZ-CB 3.79Å; F786-L794 HydrophobicContact CZ-CD1 4.37Å; F786-L794 HydrophobicContact CZ-CD2 3.53Å; F786-L794 HydrophobicContact CZ-CG 4.08Å; F786-L938 HydrophobicContact CD1-CD1 4.34Å; F786-L938 HydrophobicContact CD2-CD1 4.19Å; F786-L938 HydrophobicContact CE1-CD1 4.16Å; F786-L938 HydrophobicContact CE2-CD1 4Å; F786-L938 HydrophobicContact CG-CD1 4.34Å; F786-L938 HydrophobicContact CZ-CD1 3.98Å
787Y81.8Confident69.9Low16 Ų1635.6 Ų35.66%0.06319%0.193CC..EExtended strand (participates in β ladder)trans-95.4156.3-173.3-57.2-79.5000112.7V754 L756 P757 V758V754-Y787 HydrophobicContact CB-CD2 3.92Å; V754-Y787 HydrophobicContact CB-CE1 4.3Å; V754-Y787 HydrophobicContact CB-CE2 3.65Å; V754-Y787 HydrophobicContact CB-CG 4.35Å; V754-Y787 HydrophobicContact CG2-CD2 4.11Å; V754-Y787 HydrophobicContact CG2-CE2 3.74Å; V754-Y787 PolarHBondContact N-OH 2.72Å; V754-Y787 VanDerWaalsContact O-CE1 3.3Å; V754-Y787 WeakPolarHBondContact O-CE1 3.32Å; L756-Y787 HydrophobicContact CB-CD1 3.92Å; L756-Y787 HydrophobicContact CB-CG 4.08Å; L756-Y787 WeakPolarHBondContact O-CD1 3.36Å; P757-Y787 WeakPolarHBondContact O-CA 3.44Å; V758-Y787 HydrophobicContact CG2-CD1 4.02Å; V758-Y787 HydrophobicContact CG2-CE1 3.82Å
788D78.6Confident69.2Low50 Ų5029.1 Ų29.127%0.26718%0.175SC..THydrogen-bonded Turntrans-62.2150.1179.4-161.61.8000112.8P757 Q790 Y811 T936P757-D788 HydrophobicContact CG-CB 3.87Å; P757-D788 PolarHBondContact O-N 3Å; D788-Q790 PolarHBondContact O-N 2.93Å; D788-Y811 HydrophobicContact CB-CE1 4.42Å; D788-Y811 PolarHBondContact OD1-OH 2.91Å; D788-T936 PolarHBondContact OD1-OG1 2.91Å
789G73Confident68.3Low22 Ų2229.9 Ų29.923%0.22717%0.173CC..THydrogen-bonded Turntrans632.2-178.500000116.9
790Q78.3Confident67.3Low24 Ų2433 Ų3311%0.11219%0.19CC..  trans-90.4153.1178.7-65.8-169.5-13.500112.8L756 D788 I937 D952L756-Q790 HydrophobicContact CD1-CG 4.38Å; D788-Q790 PolarHBondContact O-N 2.93Å; Q790-I937 PolarHBondContact O-N 3.15Å; Q790-D952 HydrophobicContact CB-CB 4.23Å; Q790-D952 HydrophobicContact CG-CB 4.33Å
791I66.9Low66.6Low1 Ų136.8 Ų36.81%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-93.7128.5160.2-52.5-173.8000108.4L928 R931 I937 F939 L950 D952 R953I791-L928 HydrophobicContact CD1-CD2 4.45Å; I791-R931 HydrophobicContact CD1-CB 3.95Å; I791-R931 HydrophobicContact CD1-CG 4.2Å; I791-R931 HydrophobicContact CG1-CB 4.03Å; I791-R931 HydrophobicContact CG1-CG 3.87Å; I791-I937 CarbonylContact C-O 3.53Å; I791-I937 VanDerWaalsContact CA-O 3.27Å; I791-I937 WeakPolarHBondContact CA-O 3.44Å; I791-I937 HydrophobicContact CD1-CD1 4.4Å; I791-I937 HydrophobicContact CG1-CB 4.2Å; I791-I937 HydrophobicContact CG1-CD1 4.35Å; I791-I937 HydrophobicContact CG2-CB 4.31Å; I791-I937 HydrophobicContact CG2-CG2 4.4Å; I791-F939 HydrophobicContact CG2-CD1 3.75Å; I791-F939 HydrophobicContact CG2-CE1 3.6Å; I791-L950 WeakPolarHBondContact CB-O 3.38Å; I791-L950 WeakPolarHBondContact CD1-O 3.5Å; I791-D952 PolarHBondContact N-OD2 3.05Å; I791-D952 PolarHBondContact O-N 3.01Å; I791-R953 PolarHBondContact O-N 3.44Å
792A63Low66Low1 Ų136.2 Ų36.21%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-127.9144.8178.300000112.4F786 I937 L938 F939 R953F786-A792 HydrophobicContact CD1-CB 3.35Å; F786-A792 HydrophobicContact CE1-CB 3.64Å; F786-A792 HydrophobicContact CG-CB 4.21Å; A792-I937 PolarHBondContact N-O 3.09Å; A792-L938 HydrophobicContact CB-CD1 3.76Å; A792-L938 CarbonylContact O-C 3.55Å; A792-L938 WeakPolarHBondContact O-CA 3.25Å; A792-F939 WeakPolarHBondContact O-CD1 3.48Å; A792-F939 PolarHBondContact O-N 3.3Å; A792-R953 CarbonylContact C-O 3.58Å; A792-R953 VanDerWaalsContact CA-O 3.28Å; A792-R953 WeakPolarHBondContact CA-O 3.37Å; A792-R953 HydrophobicContact CB-CB 4.43Å
793C55.6Low65.7Low12 Ų1237.5 Ų37.58%0.08121%0.214CC..EExtended strand (participates in β ladder)trans-100.8114.2176.3-178.50000110.9F939 R953 A955C793-F939 CarbonylContact C-O 3.59Å; C793-F939 VanDerWaalsContact CA-O 3.24Å; C793-F939 WeakPolarHBondContact CA-O 3.48Å; C793-F939 HydrophobicContact CB-CE1 4.18Å; C793-F939 HydrophobicContact CB-CZ 4.36Å; C793-R953 PolarHBondContact N-O 3.4Å; C793-A955 PolarHBondContact O-N 2.87Å
794L61.5Low65.3Low4 Ų437.6 Ų37.62%0.02121%0.214CC..  trans-153.6137.7174.6-172.870.6000111.6L762 F786 V797 L938 F939 A955 I957L762-L794 HydrophobicContact CD1-CD2 3.57Å; F786-L794 HydrophobicContact CE2-CB 4.4Å; F786-L794 HydrophobicContact CE2-CD2 3.48Å; F786-L794 VanDerWaalsContact CE2-CD2 3.48Å; F786-L794 HydrophobicContact CE2-CG 4.47Å; F786-L794 HydrophobicContact CZ-CB 3.79Å; F786-L794 HydrophobicContact CZ-CD1 4.37Å; F786-L794 HydrophobicContact CZ-CD2 3.53Å; F786-L794 HydrophobicContact CZ-CG 4.08Å; L794-V797 HydrophobicContact CD2-CG2 3.43Å; L794-V797 VanDerWaalsContact CD2-CG2 3.43Å; L794-V797 HydrophobicContact CG-CG2 4.5Å; L794-L938 HydrophobicContact CB-CD1 3.8Å; L794-L938 HydrophobicContact CB-CD2 4.31Å; L794-L938 HydrophobicContact CB-CG 4.2Å; L794-F939 PolarHBondContact N-O 3.1Å; L794-A955 HydrophobicContact CD1-CB 3.65Å; L794-I957 HydrophobicContact CD1-CD1 3.6Å; L794-I957 HydrophobicContact CD1-CG1 4.22Å
795S53.7Low64.8Low73 Ų7343.7 Ų43.751%0.5124%0.242SC..SBendtrans-80.8-15.7-172.4-175.90000116.8
796I52.1Low64.4Low72 Ų7242 Ų4237%0.36924%0.243SC..  trans-143.764.7-162.1-39.5-177.8000113.9L779L779-I796 HydrophobicContact CD1-CB 4.18Å; L779-I796 HydrophobicContact CD1-CD1 4.33Å; L779-I796 HydrophobicContact CD1-CG2 3.83Å; L779-I796 HydrophobicContact CD2-CD1 3.82Å; L779-I796 HydrophobicContact CG-CD1 3.95Å; L779-I796 HydrophobicContact CG-CG2 4.47Å
797V51.5Low64Low15 Ų1543.2 Ų43.29%0.09125%0.252CS..  trans-137.676.1166.6-1690000111.4L762 L794 L938L762-V797 HydrophobicContact CD1-CG2 3.73Å; L762-V797 HydrophobicContact CD2-CG1 4.27Å; L762-V797 HydrophobicContact CD2-CG2 3.93Å; L762-V797 HydrophobicContact CG-CG2 4.46Å; L794-V797 HydrophobicContact CD2-CG2 3.43Å; L794-V797 VanDerWaalsContact CD2-CG2 3.43Å; L794-V797 HydrophobicContact CG-CG2 4.5Å; V797-L938 HydrophobicContact CB-CD2 3.6Å; V797-L938 HydrophobicContact CG1-CD2 4.48Å; V797-L938 HydrophobicContact CG2-CD2 3.79Å
798C52.4Low63.7Low39 Ų3943.3 Ų43.326%0.26425%0.254SS..  trans-136.2143.1165.1-90.40000110.5L800 Y828 V907C798-L800 HydrophobicContact CB-CD1 4.27Å; C798-L800 HydrophobicContact CB-CG 4.45Å; C798-L800 PolarHBondContact O-N 3.12Å; C798-Y828 HydrophobicContact CB-CE2 4.32Å; C798-Y828 WeakPolarHBondContact SG-CD2 3.2Å; C798-Y828 WeakPolarHBondContact SG-CE2 3.42Å; C798-V907 VanDerWaalsContact SG-CG1 3.54Å
799N49.1Very low63.6Low52 Ų5243.1 Ų43.128%0.27825%0.253SS..THydrogen-bonded Turntrans-75.134-175.6-159.720.8000113.6I815N799-I815 HydrophobicContact CB-CG2 4.36Å; N799-I815 WeakPolarHBondContact ND2-CG2 3.11Å
800L52.3Low63.7Low70 Ų7042.4 Ų42.437%0.36624%0.244SC..THydrogen-bonded Turntrans-74-35.6174.5-76.1163.8000111.6A619 T623 C798 Y828A619-L800 HydrophobicContact CB-CD2 4.49Å; T623-L800 HydrophobicContact CG2-CD2 3.46Å; T623-L800 VanDerWaalsContact CG2-CD2 3.46Å; T623-L800 HydrophobicContact CG2-CG 3.62Å; C798-L800 HydrophobicContact CB-CD1 4.27Å; C798-L800 HydrophobicContact CB-CG 4.45Å; C798-L800 PolarHBondContact O-N 3.12Å; L800-Y828 HydrophobicContact CD1-CE1 4.24Å
801F59.9Low63.5Low123 Ų12344.8 Ų44.854%0.53925%0.252SS..SBendtrans-138.3129.2178.5-54.8-77.7000109.5F769F769-F801 HydrophobicContact CE1-CB 4.39Å; F769-F801 AromaticContact CE1-CD1 3.83Å; F769-F801 HydrophobicContact CE1-CD1 3.83Å; F769-F801 AromaticContact CE1-CD2 3.75Å; F769-F801 HydrophobicContact CE1-CD2 3.75Å; F769-F801 AromaticContact CE1-CE1 3.98Å; F769-F801 HydrophobicContact CE1-CE1 3.98Å; F769-F801 AromaticContact CE1-CE2 3.89Å; F769-F801 HydrophobicContact CE1-CE2 3.89Å; F769-F801 AromaticContact CE1-CG 3.71Å; F769-F801 HydrophobicContact CE1-CG 3.71Å; F769-F801 HydrophobicContact CE1-CZ 4.01Å; F769-F801 AromaticContact CZ-CD2 3.84Å; F769-F801 HydrophobicContact CZ-CD2 3.84Å; F769-F801 HydrophobicContact CZ-CE2 4.19Å; F769-F801 HydrophobicContact CZ-CG 4.1Å
802P61.3Low63.7Low69 Ų6947.7 Ų47.745%0.44828%0.282SS..  trans-66.5150.8175.328.2-34.6000110.7K767 M816K767-P802 VanDerWaalsContact CD-O 3.24Å; K767-P802 WeakPolarHBondContact CD-O 3.49Å; K767-P802 WeakPolarHBondContact CE-O 3.37Å; K767-P802 PolarHBondContact NZ-O 3.12Å; P802-M816 HydrophobicContact CB-SD 3.6Å; P802-M816 VanDerWaalsContact CB-SD 3.6Å
803P67.7Low64.1Low28 Ų2852.5 Ų52.518%0.18230%0.303CS..  trans-53148.6168.322.7-33.2000111.3L765 H805 M816L765-P803 HydrophobicContact CD2-CB 3.79Å; L765-P803 HydrophobicContact CG-CB 4.42Å; P803-H805 WeakPolarHBondContact CB-O 3.22Å; P803-M816 HydrophobicContact CG-CE 3.92Å; P803-M816 HydrophobicContact CG-SD 4.09Å
804S70.4Confident64.7Low46 Ų4656.3 Ų56.332%0.32232%0.32SS..SBendtrans-82.2-38166.9-61.60000110.6T766 V768T766-S804 WeakPolarHBondContact O-CA 3.15Å; T766-S804 WeakPolarHBondContact O-CB 3.46Å; T766-S804 PolarHBondContact O-N 3.08Å; V768-S804 PolarHBondContact N-OG 3.24Å
805H69.3Low64.9Low130 Ų13056.9 Ų56.960%0.60232%0.323SS*.EExtended strand (participates in β ladder)trans-142.6165166-49.894.8000109.8T766 P803T766-H805 PolarHBondContact N-O 3.08Å; T766-H805 PolarHBondContact O-N 3.44Å; P803-H805 WeakPolarHBondContact CB-O 3.22Å
806G72.8Confident65.1Low33 Ų3359.3 Ų59.334%0.3433%0.327SS..EExtended strand (participates in β ladder)trans85.7174.6-176.600000113.8T763 N764T763-G806 CarbonylContact O-C 3.37Å; T763-G806 WeakPolarHBondContact O-CA 3.37Å; N764-G806 WeakPolarHBondContact O-CA 3.46Å
807S73.1Confident65.2Low28 Ų2859.8 Ų59.820%0.19634%0.342CS..EExtended strand (participates in β ladder)trans-133.9155.5-177.390.40000112.9T763T763-S807 PolarHBondContact N-O 2.81Å; T763-S807 PolarHBondContact O-N 3.33Å; T763-S807 PolarHBondContact OG1-N 3.02Å; T763-S807 PolarHBondContact OG1-O 2.88Å; T763-S807 PolarHBondContact OG1-OG 2.76Å
808V75.1Confident65.2Low17 Ų1760.9 Ų60.910%0.10335%0.351CS..EExtended strand (participates in β ladder)trans-124.4124.6174.7-178.70000109.2I760 L762 L765 I810 Q814 I815I760-V808 HydrophobicContact CG2-CG1 4.37Å; L762-V808 HydrophobicContact CD2-CB 4.31Å; L762-V808 HydrophobicContact CD2-CG1 3.7Å; L762-V808 HydrophobicContact CD2-CG2 3.86Å; L765-V808 HydrophobicContact CD1-CG2 3.46Å; L765-V808 VanDerWaalsContact CD1-CG2 3.46Å; L765-V808 HydrophobicContact CG-CG2 4.15Å; V808-I810 HydrophobicContact CG1-CG1 4.43Å; V808-Q814 WeakPolarHBondContact O-CA 3.31Å; V808-I815 HydrophobicContact CB-CD1 3.75Å; V808-I815 HydrophobicContact CB-CG1 4.04Å; V808-I815 HydrophobicContact CG1-CD1 3.37Å; V808-I815 HydrophobicContact CG1-CG1 3.89Å; V808-I815 PolarHBondContact O-N 3.32Å; V808-I815 VanDerWaalsContact O-N 3.08Å
809L75.8Confident65.3Low46 Ų4661.4 Ų61.424%0.24135%0.354CS..EExtended strand (participates in β ladder)trans-109132.1177.1-67.8156.8000108.8I760 S761 G812 K813 Q814I760-L809 CarbonylContact C-O 3.53Å; I760-L809 WeakPolarHBondContact CA-O 3.39Å; S761-L809 PolarHBondContact N-O 2.78Å; S761-L809 PolarHBondContact O-N 3.46Å; L809-G812 WeakPolarHBondContact CD2-O 3.33Å; L809-K813 CarbonylContact C-O 3.51Å; L809-K813 WeakPolarHBondContact CA-O 3.46Å; L809-Q814 HydrophobicContact CD2-CB 4.45Å; L809-Q814 HydrophobicContact CD2-CG 3.46Å; L809-Q814 VanDerWaalsContact CD2-CG 3.46Å; L809-Q814 HydrophobicContact CG-CG 4.23Å
810I75.1Confident65.9Low8 Ų864.3 Ų64.34%0.04137%0.37CS..EExtended strand (participates in β ladder)trans-124.8117.3172.8-70.3175.7000107.7G759 I760 V808 G812 K813 I815 V822 I826 V905G759-I810 CarbonylContact O-C 3.54Å; G759-I810 WeakPolarHBondContact O-CA 3.32Å; I760-I810 HydrophobicContact CG1-CG1 4.38Å; I760-I810 HydrophobicContact CG2-CG1 4.16Å; V808-I810 HydrophobicContact CG1-CG1 4.43Å; I810-G812 PolarHBondContact O-N 2.81Å; I810-K813 PolarHBondContact N-O 2.9Å; I810-K813 WeakPolarHBondContact O-CB 3.45Å; I810-K813 PolarHBondContact O-N 2.92Å; I810-I815 HydrophobicContact CD1-CD1 3.76Å; I810-I815 HydrophobicContact CD1-CG1 4.01Å; I810-I815 HydrophobicContact CG1-CD1 4.46Å; I810-I815 HydrophobicContact CG1-CG1 4.43Å; I810-V822 HydrophobicContact CB-CG1 4.46Å; I810-V822 HydrophobicContact CD1-CG1 4.22Å; I810-I826 HydrophobicContact CD1-CD1 3.69Å; I810-I826 HydrophobicContact CD1-CG1 4.31Å; I810-V905 HydrophobicContact CG2-CG2 3.82Å
811Y75.6Confident66.4Low74 Ų7463.9 Ų63.929%0.2937%0.373SS..THydrogen-bonded Turntrans42.548.5-168.5-62.7-83.9000112.5G759 D788 K813 N904 V905 T936G759-Y811 PolarHBondContact O-N 3.23Å; D788-Y811 HydrophobicContact CB-CE1 4.42Å; D788-Y811 PolarHBondContact OD1-OH 2.91Å; Y811-K813 VanDerWaalsContact C-N 3.27Å; Y811-K813 PolarHBondContact O-N 3.43Å; Y811-N904 HydrophobicContact CE2-CB 4.01Å; Y811-V905 HydrophobicContact CD2-CG2 4.36Å; Y811-V905 HydrophobicContact CE2-CG2 3.7Å; Y811-T936 PolarHBondContact OH-OG1 3.48Å; Y811-T936 VanDerWaalsContact OH-OG1 3.05Å
812G71.3Confident66.6Low62 Ų6258.2 Ų58.264%0.63935%0.349SS*.THydrogen-bonded Turntrans76-7-17800000116.6L809 I810L809-G812 WeakPolarHBondContact CD2-O 3.33Å; I810-G812 PolarHBondContact O-N 2.81Å
813K70.5Confident66.8Low101 Ų10155.1 Ų55.144%0.43933%0.328SS..EExtended strand (participates in β ladder)trans-94.4127.2-179.5-60.3176-175.61730111.2L809 I810 Y811 V822L809-K813 CarbonylContact C-O 3.51Å; L809-K813 WeakPolarHBondContact CA-O 3.46Å; I810-K813 PolarHBondContact N-O 2.9Å; I810-K813 WeakPolarHBondContact O-CB 3.45Å; I810-K813 PolarHBondContact O-N 2.92Å; Y811-K813 VanDerWaalsContact C-N 3.27Å; Y811-K813 PolarHBondContact O-N 3.43Å; K813-V822 HydrophobicContact CB-CG2 4.01Å
814Q67.6Low66.7Low93 Ų9357.8 Ų57.844%0.43534%0.338SS..EExtended strand (participates in β ladder)trans-72.4130174.4-74.8-169.5-12.300111.7V808 L809 M816 A817 S818V808-Q814 WeakPolarHBondContact O-CA 3.31Å; L809-Q814 HydrophobicContact CD2-CB 4.45Å; L809-Q814 HydrophobicContact CD2-CG 3.46Å; L809-Q814 VanDerWaalsContact CD2-CG 3.46Å; L809-Q814 HydrophobicContact CG-CG 4.23Å; Q814-M816 VanDerWaalsContact C-N 3.35Å; Q814-M816 PolarHBondContact O-N 3.41Å; Q814-A817 HydrophobicContact CB-CB 4.17Å; Q814-A817 PolarHBondContact O-N 3.48Å; Q814-S818 PolarHBondContact O-N 3.41Å; Q814-S818 PolarHBondContact O-OG 2.94Å
815I66.2Low66.8Low16 Ų1659.1 Ų59.18%0.08234%0.338CS..G310 helixtrans-54.1-48.9-179.6-64.3-172.1000111.6N799 V808 I810 A817 S819 V822N799-I815 HydrophobicContact CB-CG2 4.36Å; N799-I815 WeakPolarHBondContact ND2-CG2 3.11Å; V808-I815 HydrophobicContact CB-CD1 3.75Å; V808-I815 HydrophobicContact CB-CG1 4.04Å; V808-I815 HydrophobicContact CG1-CD1 3.37Å; V808-I815 HydrophobicContact CG1-CG1 3.89Å; V808-I815 PolarHBondContact O-N 3.32Å; V808-I815 VanDerWaalsContact O-N 3.08Å; I810-I815 HydrophobicContact CD1-CD1 3.76Å; I810-I815 HydrophobicContact CD1-CG1 4.01Å; I810-I815 HydrophobicContact CG1-CD1 4.46Å; I810-I815 HydrophobicContact CG1-CG1 4.43Å; I815-A817 PolarHBondContact O-N 2.83Å; I815-S819 WeakPolarHBondContact O-CA 3.08Å; I815-S819 PolarHBondContact O-N 3.05Å; I815-V822 HydrophobicContact CG1-CG1 4.24Å
816M58.9Low67.2Low123 Ų12353.8 Ų53.861%0.60631%0.314SS*.G310 helixtrans-74.7-23.3-172.2-61.3-148.3-65.600113.9P802 P803 Q814P802-M816 HydrophobicContact CB-SD 3.6Å; P802-M816 VanDerWaalsContact CB-SD 3.6Å; P803-M816 HydrophobicContact CG-CE 3.92Å; P803-M816 HydrophobicContact CG-SD 4.09Å; Q814-M816 VanDerWaalsContact C-N 3.35Å; Q814-M816 PolarHBondContact O-N 3.41Å
817A53.3Low67.6Low82 Ų8252.2 Ų52.268%0.67830%0.298SS*.G310 helixtrans-83.5-21.4-179.700000113.5Q814 I815Q814-A817 HydrophobicContact CB-CB 4.17Å; Q814-A817 PolarHBondContact O-N 3.48Å; I815-A817 PolarHBondContact O-N 2.83Å
818S52.5Low68Low39 Ų3951.7 Ų51.727%0.27329%0.292SS..SBendtrans-142.334.3-167.657.80000113.7Q814 N820 S821 V822Q814-S818 PolarHBondContact O-N 3.41Å; Q814-S818 PolarHBondContact O-OG 2.94Å; S818-N820 PolarHBondContact O-N 2.98Å; S818-N820 VanDerWaalsContact O-N 3.07Å; S818-S821 PolarHBondContact O-N 3.47Å; S818-V822 PolarHBondContact O-N 3.24Å; S818-V822 VanDerWaalsContact O-N 3.12Å; S818-V822 VanDerWaalsContact OG-CG2 3.25Å; S818-V822 WeakPolarHBondContact OG-CG2 2.89Å
819S54.5Low68.5Low49 Ų4950.9 Ų50.934%0.34329%0.287SS..Hα-helixtrans-41.4-52-167.3-170.50000115I815 S821 V822 T823I815-S819 WeakPolarHBondContact O-CA 3.08Å; I815-S819 PolarHBondContact O-N 3.05Å; S819-S821 PolarHBondContact O-N 2.73Å; S819-V822 PolarHBondContact O-N 2.71Å; S819-T823 PolarHBondContact O-N 3.33Å; S819-T823 PolarHBondContact O-OG1 3.39Å
820N60Low68.6Low114 Ų11449.4 Ų49.461%0.6128%0.28SS*.Hα-helixtrans-63.4-44.3-175.4-62.912.7000112.3S818 V822 T823S818-N820 PolarHBondContact O-N 2.98Å; S818-N820 VanDerWaalsContact O-N 3.07Å; N820-V822 VanDerWaalsContact C-N 3.33Å; N820-T823 PolarHBondContact O-OG1 3.26Å
821S63.2Low68.5Low61 Ų6152.6 Ų52.643%0.42730%0.295SS..Hα-helixtrans-71.6-28.9-179.8-53.80000112.4S818 S819 F825S818-S821 PolarHBondContact O-N 3.47Å; S819-S821 PolarHBondContact O-N 2.73Å; S821-F825 WeakPolarHBondContact O-CD2 3.44Å; S821-F825 WeakPolarHBondContact O-CE2 3.08Å
822V64Low68.4Low4 Ų455.2 Ų55.22%0.02431%0.309CS..Hα-helixtrans-78-37179174.50000111.4I810 K813 I815 S818 S819 N820 Q824 F825 I826I810-V822 HydrophobicContact CB-CG1 4.46Å; I810-V822 HydrophobicContact CD1-CG1 4.22Å; K813-V822 HydrophobicContact CB-CG2 4.01Å; I815-V822 HydrophobicContact CG1-CG1 4.24Å; S818-V822 PolarHBondContact O-N 3.24Å; S818-V822 VanDerWaalsContact O-N 3.12Å; S818-V822 VanDerWaalsContact OG-CG2 3.25Å; S818-V822 WeakPolarHBondContact OG-CG2 2.89Å; S819-V822 PolarHBondContact O-N 2.71Å; N820-V822 VanDerWaalsContact C-N 3.33Å; V822-Q824 VanDerWaalsContact C-N 3.3Å; V822-Q824 PolarHBondContact O-N 3.37Å; V822-F825 PolarHBondContact O-N 3.4Å; V822-I826 HydrophobicContact CG1-CD1 3.84Å
823T65.1Low68.8Low4 Ų455 Ų553%0.02529%0.293CS..Hα-helixtrans-64.2-28.1-179.340.50000114.5G625 S819 N820 F825 I826G625-T823 WeakPolarHBondContact CA-OG1 3.2Å; S819-T823 PolarHBondContact O-N 3.33Å; S819-T823 PolarHBondContact O-OG1 3.39Å; N820-T823 PolarHBondContact O-OG1 3.26Å; T823-F825 PolarHBondContact O-N 3.29Å; T823-I826 PolarHBondContact O-N 3.16Å; T823-I826 VanDerWaalsContact O-N 3.1Å
824Q67Low69.2Low83 Ų8351 Ų5139%0.38828%0.277SS..THydrogen-bonded Turntrans-64.1-29.9176.7-62.4-176.7-82.500112.8V822 I826 K852V822-Q824 VanDerWaalsContact C-N 3.3Å; V822-Q824 PolarHBondContact O-N 3.37Å; Q824-I826 VanDerWaalsContact C-N 3.32Å; Q824-K852 WeakPolarHBondContact CG-O 3.42Å; Q824-K852 PolarHBondContact NE2-O 3.48Å
825F72.8Confident70.1Confident74 Ų7447.1 Ų47.133%0.32526%0.26SS..THydrogen-bonded Turntrans-85.7-0.5176.9-58.3-73.6000113.4S821 V822 T823 A903 N904 V905S821-F825 WeakPolarHBondContact O-CD2 3.44Å; S821-F825 WeakPolarHBondContact O-CE2 3.08Å; V822-F825 PolarHBondContact O-N 3.4Å; T823-F825 PolarHBondContact O-N 3.29Å; F825-A903 CarbonylContact O-C 3.58Å; F825-N904 PolarHBondContact O-N 3.02Å; F825-N904 VanDerWaalsContact O-N 3.07Å; F825-V905 PolarHBondContact O-N 2.9Å
826I76.7Confident71Confident19 Ų1948.7 Ų48.710%0.09727%0.266CS..EExtended strand (participates in β ladder)trans-111.5122.2-176.7-60.5172.4000111.1I810 V822 T823 Q824 V905I810-I826 HydrophobicContact CD1-CD1 3.69Å; I810-I826 HydrophobicContact CD1-CG1 4.31Å; V822-I826 HydrophobicContact CG1-CD1 3.84Å; T823-I826 PolarHBondContact O-N 3.16Å; T823-I826 VanDerWaalsContact O-N 3.1Å; Q824-I826 VanDerWaalsContact C-N 3.32Å; I826-V905 CarbonylContact C-O 3.37Å; I826-V905 VanDerWaalsContact CA-O 3.29Å; I826-V905 WeakPolarHBondContact CA-O 3.28Å; I826-V905 HydrophobicContact CG1-CB 4.43Å
827G80.4Confident72.1Confident0 Ų046.3 Ų46.30%026%0.256CS..EExtended strand (participates in β ladder)trans-90.3141.6159.800000111A898 V905 I906 V907G827-A898 VanDerWaalsContact CA-O 3.23Å; G827-A898 WeakPolarHBondContact CA-O 3.42Å; G827-V905 PolarHBondContact N-O 3.36Å; G827-I906 WeakPolarHBondContact O-CA 3.49Å; G827-V907 PolarHBondContact O-N 3.23Å
828Y82.7Confident73.6Confident17 Ų1749 Ų497%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-133.1136.9173.5178.5-134.3000112.4F620 T623 M624 C798 L800 P830 V907 D909F620-Y828 AromaticContact CD2-CD1 3.93Å; F620-Y828 HydrophobicContact CD2-CD1 3.93Å; F620-Y828 HydrophobicContact CD2-CE1 4.34Å; F620-Y828 AromaticContact CE2-CD1 3.93Å; F620-Y828 HydrophobicContact CE2-CD1 3.93Å; F620-Y828 WeakPolarHBondContact CE2-O 3.37Å; T623-Y828 HydrophobicContact CG2-CD1 4.26Å; T623-Y828 HydrophobicContact CG2-CE1 4.44Å; M624-Y828 WeakPolarHBondContact CE-O 3.45Å; C798-Y828 HydrophobicContact CB-CE2 4.32Å; C798-Y828 WeakPolarHBondContact SG-CD2 3.2Å; C798-Y828 WeakPolarHBondContact SG-CE2 3.42Å; L800-Y828 HydrophobicContact CD1-CE1 4.24Å; Y828-P830 HydrophobicContact CE1-CB 3.89Å; Y828-P830 HydrophobicContact CE1-CG 4.22Å; Y828-P830 HydrophobicContact CE2-CB 4.48Å; Y828-P830 WeakPolarHBondContact OH-CA 3.19Å; Y828-P830 WeakPolarHBondContact OH-CB 3.46Å; Y828-V907 CarbonylContact C-O 3.46Å; Y828-V907 WeakPolarHBondContact CA-O 3.35Å; Y828-V907 HydrophobicContact CD2-CB 4.36Å; Y828-V907 WeakPolarHBondContact CD2-O 3.43Å; Y828-D909 HydrophobicContact CE2-CB 4.15Å
829C85Confident75.2Confident0 Ų049.4 Ų49.40%026%0.258CS..EExtended strand (participates in β ladder)trans-127.2109.1168.3-172.40000109.7R891 S894 A898 V907 L908 D909C829-R891 PolarHBondContact SG-NH1 3.23Å; C829-S894 PolarHBondContact SG-OG 3.42Å; C829-A898 HydrophobicContact CB-CB 4.07Å; C829-V907 PolarHBondContact N-O 3.07Å; C829-L908 HydrophobicContact CB-CD2 3.47Å; C829-L908 VanDerWaalsContact CB-CD2 3.47Å; C829-D909 WeakPolarHBondContact O-CB 3.23Å; C829-D909 PolarHBondContact O-N 3.04Å
830P78Confident76.9Confident14 Ų1448.2 Ų48.29%0.09125%0.249CC..  trans-71163.2177.224.1-30.9000113.3F620 Y828 H832 V834 R891F620-P830 HydrophobicContact CD2-CG 4.15Å; F620-P830 HydrophobicContact CE2-CG 4.17Å; Y828-P830 HydrophobicContact CE1-CB 3.89Å; Y828-P830 HydrophobicContact CE1-CG 4.22Å; Y828-P830 HydrophobicContact CE2-CB 4.48Å; Y828-P830 WeakPolarHBondContact OH-CA 3.19Å; Y828-P830 WeakPolarHBondContact OH-CB 3.46Å; P830-H832 WeakPolarHBondContact CG-O 3.26Å; P830-H832 PolarHBondContact O-N 3.44Å; P830-V834 HydrophobicContact CG-CB 4.29Å; P830-V834 HydrophobicContact CG-CG2 3.91Å; P830-R891 PolarHBondContact O-NH1 2.97Å; P830-R891 PolarHBondContact O-NH2 3.23Å
831Q73.2Confident78.3Confident75 Ų7542.8 Ų42.835%0.3522%0.219SC..SBendtrans-53.4-35175.4-179.8178.573.200114.4D909 E910Q831-D909 VanDerWaalsContact CA-O 3.31Å; Q831-D909 WeakPolarHBondContact CA-O 3.47Å; Q831-D909 VanDerWaalsContact CB-OD2 3.29Å; Q831-D909 WeakPolarHBondContact CB-OD2 3.43Å; Q831-D909 PolarHBondContact N-O 2.96Å; Q831-D909 PolarHBondContact N-OD2 3.25Å; Q831-E910 HydrophobicContact CB-CB 4.39Å; Q831-E910 HydrophobicContact CG-CB 4.09Å
832H74.2Confident79.6Confident129 Ų12944.5 Ų44.560%0.59722%0.219SC*.SBendtrans-101.4145.5176.9-61-20.2000111.1P830 V834P830-H832 WeakPolarHBondContact CG-O 3.26Å; P830-H832 PolarHBondContact O-N 3.44Å; H832-V834 PolarHBondContact O-N 3.32Å
833N78.6Confident80.8Confident57 Ų5748.8 Ų48.831%0.30524%0.239SC..  trans-74.488.9-178.4-63-36.9000111.3L835 K890 R891N833-L835 HydrophobicContact CB-CD1 4.25Å; N833-L835 HydrophobicContact CB-CG 4.47Å; N833-L835 PolarHBondContact O-N 3.36Å; N833-L835 VanDerWaalsContact O-N 3.15Å; N833-K890 HydrophobicContact CB-CB 4.23Å; N833-K890 WeakPolarHBondContact ND2-CB 3.47Å; N833-R891 WeakPolarHBondContact OD1-CA 3.49Å; N833-R891 WeakPolarHBondContact OD1-CD 3.34Å; N833-R891 PolarHBondContact OD1-NH1 3.44Å
834V80.4Confident82Confident17 Ų1748.6 Ų48.610%0.10324%0.238CC..  trans-77.893.4176.8177.80000109.4L617 F620 P830 H832L617-V834 HydrophobicContact CD2-CG1 3.68Å; L617-V834 HydrophobicContact CG-CG1 4.17Å; F620-V834 HydrophobicContact CB-CG1 3.79Å; F620-V834 HydrophobicContact CD1-CB 4.43Å; F620-V834 HydrophobicContact CD1-CG1 3.95Å; F620-V834 HydrophobicContact CG-CB 4.37Å; F620-V834 HydrophobicContact CG-CG1 3.97Å; P830-V834 HydrophobicContact CG-CB 4.29Å; P830-V834 HydrophobicContact CG-CG2 3.91Å; H832-V834 PolarHBondContact O-N 3.32Å
835L85.8Confident83Confident13 Ų1344.6 Ų44.67%0.06822%0.219CC..  trans-131.3152.1-175.8-62.6173.3000110.5N833 A882 K890 L893 I897N833-L835 HydrophobicContact CB-CD1 4.25Å; N833-L835 HydrophobicContact CB-CG 4.47Å; N833-L835 PolarHBondContact O-N 3.36Å; N833-L835 VanDerWaalsContact O-N 3.15Å; L835-A882 HydrophobicContact CB-CB 4.36Å; L835-A882 HydrophobicContact CD1-CB 4.42Å; L835-K890 HydrophobicContact CD1-CB 4Å; L835-K890 HydrophobicContact CD1-CG 4.14Å; L835-L893 HydrophobicContact CD1-CD2 4.21Å; L835-L893 HydrophobicContact CD1-CG 4.47Å; L835-L893 HydrophobicContact CD2-CD2 4.21Å; L835-L893 HydrophobicContact CD2-CG 4.03Å; L835-I897 HydrophobicContact CD2-CD1 3.59Å
836F85.1Confident83.6Confident48 Ų4843.6 Ų43.621%0.21122%0.215CC..  trans-81.1119.7171.2-64.4-87.3000108.9L617 D838 L839 H844 F847 Y848L617-F836 HydrophobicContact CD1-CD1 3.8Å; L617-F836 HydrophobicContact CD1-CE1 3.73Å; L617-F836 HydrophobicContact CD1-CZ 4.45Å; L617-F836 HydrophobicContact CD2-CD1 4.16Å; L617-F836 HydrophobicContact CD2-CD2 4.23Å; L617-F836 HydrophobicContact CD2-CE1 3.96Å; L617-F836 HydrophobicContact CD2-CE2 4.03Å; L617-F836 HydrophobicContact CD2-CG 4.3Å; L617-F836 HydrophobicContact CD2-CZ 3.89Å; L617-F836 HydrophobicContact CG-CE1 4.36Å; F836-D838 PolarHBondContact O-N 3.18Å; F836-D838 VanDerWaalsContact O-N 3.12Å; F836-L839 HydrophobicContact CB-CB 4.18Å; F836-L839 HydrophobicContact CB-CD1 3.91Å; F836-L839 HydrophobicContact CB-CG 3.91Å; F836-L839 HydrophobicContact CD2-CD1 3.81Å; F836-L839 HydrophobicContact CG-CD1 3.97Å; F836-L839 HydrophobicContact CG-CG 4.44Å; F836-L839 PolarHBondContact O-N 3.1Å; F836-H844 PolarHBondContact N-NE2 3.42Å; F836-H844 PolarHBondContact O-CE1 3.13Å; F836-H844 PolarHBondContact O-NE2 3.08Å; F836-F847 HydrophobicContact CE2-CD1 4.14Å; F836-F847 AromaticContact CE2-CE1 3.7Å; F836-F847 HydrophobicContact CE2-CE1 3.7Å; F836-F847 HydrophobicContact CE2-CZ 4.35Å; F836-F847 HydrophobicContact CZ-CE1 4.07Å; F836-F847 HydrophobicContact CZ-CZ 4.31Å; F836-Y848 HydrophobicContact CE2-CE2 4.38Å; F836-Y848 WeakPolarHBondContact CE2-OH 3.43Å
837N82.6Confident84Confident74 Ų7446.4 Ų46.440%0.39623%0.227SC..THydrogen-bonded Turntrans-61.6-25.9-175.2-72.7-53.7000114.3S883N837-S883 WeakPolarHBondContact O-CB 3.27Å; N837-S883 PolarHBondContact O-N 3.2Å; N837-S883 PolarHBondContact O-OG 3.32Å; N837-S883 VanDerWaalsContact O-OG 3.11Å
838D84.2Confident84.2Confident138 Ų13846.4 Ų46.474%0.73823%0.227SC*.THydrogen-bonded Turntrans-104.2-2.1-167.9-47.7-52.8000113.7F836 L881F836-D838 PolarHBondContact O-N 3.18Å; F836-D838 VanDerWaalsContact O-N 3.12Å; D838-L881 WeakPolarHBondContact O-CD2 3.36Å
839L86.7Confident84.1Confident48 Ų4845.8 Ų45.825%0.25123%0.225SC..SBendtrans-95.1144.8170.9-66.2-177.9000110.8F836 E843 H844 A882F836-L839 HydrophobicContact CB-CB 4.18Å; F836-L839 HydrophobicContact CB-CD1 3.91Å; F836-L839 HydrophobicContact CB-CG 3.91Å; F836-L839 HydrophobicContact CD2-CD1 3.81Å; F836-L839 HydrophobicContact CG-CD1 3.97Å; F836-L839 HydrophobicContact CG-CG 4.44Å; F836-L839 PolarHBondContact O-N 3.1Å; L839-E843 HydrophobicContact CB-CB 4.22Å; L839-E843 HydrophobicContact CD2-CB 4.18Å; L839-H844 PolarHBondContact O-CE1 2.89Å; L839-A882 PolarHBondContact O-N 2.82Å
840T89.9Confident83.7Confident24 Ų2448.1 Ų48.115%0.14725%0.249CC..BIsolated β-bridgetrans-69.8167170.3620000112.2K842 E843 H844 E880 L881T840-K842 VanDerWaalsContact C-N 3.27Å; T840-K842 PolarHBondContact O-N 3.38Å; T840-E843 VanDerWaalsContact CB-OE2 3.27Å; T840-E843 WeakPolarHBondContact CB-OE2 3.44Å; T840-E843 WeakPolarHBondContact CG2-OE2 3.45Å; T840-E843 PolarHBondContact N-OE2 3.35Å; T840-E843 PolarHBondContact O-N 3.09Å; T840-E843 VanDerWaalsContact OG1-CD 3.23Å; T840-E843 VanDerWaalsContact OG1-CG 3.3Å; T840-E843 WeakPolarHBondContact OG1-CG 3.24Å; T840-E843 PolarHBondContact OG1-N 2.81Å; T840-E843 PolarHBondContact OG1-OE2 3.02Å; T840-H844 PolarHBondContact O-N 3.21Å; T840-H844 VanDerWaalsContact O-N 3.13Å; T840-H844 PolarHBondContact O-ND1 2.99Å; T840-E880 VanDerWaalsContact CA-O 3.29Å; T840-E880 WeakPolarHBondContact CA-O 3.02Å; T840-L881 HydrophobicContact CG2-CD2 4.33Å
841V89.2Confident83.6Confident0 Ų050.1 Ų50.10%026%0.259CS..Hα-helixtrans-58-40.4173.4-172.60000111.3L845 L869 L874 K877 V878 E880 L885 L893V841-L845 WeakPolarHBondContact O-CG 3.23Å; V841-L845 PolarHBondContact O-N 2.98Å; V841-L869 HydrophobicContact CG1-CD2 3.75Å; V841-L874 HydrophobicContact CG1-CB 4.44Å; V841-L874 HydrophobicContact CG1-CD1 4.25Å; V841-K877 WeakPolarHBondContact CG2-O 3.37Å; V841-V878 PolarHBondContact N-O 3.42Å; V841-E880 PolarHBondContact N-O 3.27Å; V841-E880 VanDerWaalsContact N-O 3.13Å; V841-L885 HydrophobicContact CG2-CD1 3.93Å; V841-L885 HydrophobicContact CG2-CD2 4.48Å; V841-L893 HydrophobicContact CG1-CD1 3.88Å; V841-L893 HydrophobicContact CG1-CD2 4.28Å; V841-L893 HydrophobicContact CG2-CD2 4.32Å
842K89.2Confident83.6Confident96 Ų9647 Ų4742%0.41724%0.244SC..Hα-helixtrans-65.4-46.1178-166.1171.5175.6170.80112.8T840 H844 L845 H846 V878T840-K842 VanDerWaalsContact C-N 3.27Å; T840-K842 PolarHBondContact O-N 3.38Å; K842-H844 PolarHBondContact O-N 3.14Å; K842-L845 PolarHBondContact O-N 2.9Å; K842-H846 WeakPolarHBondContact CE-NE2 3.34Å; K842-H846 PolarHBondContact O-CD2 2.91Å; K842-H846 PolarHBondContact O-N 2.94Å; K842-H846 VanDerWaalsContact O-N 3.12Å; K842-V878 HydrophobicContact CB-CG1 3.8Å; K842-V878 HydrophobicContact CD-CG1 4.11Å; K842-V878 HydrophobicContact CG-CG1 4.26Å; K842-V878 PolarHBondContact N-O 2.75Å
843E89.7Confident83.1Confident94 Ų9442.4 Ų42.444%0.43923%0.232SC..Hα-helixtrans-65.9-36.9-178.1-70.7159.8139.600112.3L839 T840 L845 F847L839-E843 HydrophobicContact CB-CB 4.22Å; L839-E843 HydrophobicContact CD2-CB 4.18Å; T840-E843 VanDerWaalsContact CB-OE2 3.27Å; T840-E843 WeakPolarHBondContact CB-OE2 3.44Å; T840-E843 WeakPolarHBondContact CG2-OE2 3.45Å; T840-E843 PolarHBondContact N-OE2 3.35Å; T840-E843 PolarHBondContact O-N 3.09Å; T840-E843 VanDerWaalsContact OG1-CD 3.23Å; T840-E843 VanDerWaalsContact OG1-CG 3.3Å; T840-E843 WeakPolarHBondContact OG1-CG 3.24Å; T840-E843 PolarHBondContact OG1-N 2.81Å; T840-E843 PolarHBondContact OG1-OE2 3.02Å; E843-L845 VanDerWaalsContact C-N 3.3Å; E843-L845 PolarHBondContact O-N 2.95Å; E843-F847 WeakPolarHBondContact O-CB 3.37Å; E843-F847 PolarHBondContact O-N 3.45Å
844H90.3Very high81.9Confident0 Ų041.5 Ų41.50%023%0.233CC..Hα-helixtrans-54.7-46.8171.4-83.885.9000111.9F836 L839 T840 K842 F847 Y848 A882 L893 I897F836-H844 PolarHBondContact N-NE2 3.42Å; F836-H844 PolarHBondContact O-CE1 3.13Å; F836-H844 PolarHBondContact O-NE2 3.08Å; L839-H844 PolarHBondContact O-CE1 2.89Å; T840-H844 PolarHBondContact O-N 3.21Å; T840-H844 VanDerWaalsContact O-N 3.13Å; T840-H844 PolarHBondContact O-ND1 2.99Å; K842-H844 PolarHBondContact O-N 3.14Å; H844-F847 PolarHBondContact O-N 3.02Å; H844-Y848 VanDerWaalsContact O-CD2 3.25Å; H844-Y848 WeakPolarHBondContact O-CD2 3.39Å; H844-Y848 PolarHBondContact O-N 2.78Å; H844-A882 VanDerWaalsContact CE1-CB 3.44Å; H844-A882 WeakPolarHBondContact CE1-CB 3.31Å; H844-L893 HydrophobicContact CB-CD1 4.29Å; H844-I897 HydrophobicContact CB-CD1 4.35Å
845L87.9Confident80.7Confident0 Ų045.9 Ų45.90%026%0.255CS..Hα-helixtrans-70.5-46.5-174.7-63.3176.2000111.1V841 K842 E843 F847 Y848 A849 V865 L869 L893 A896 I897 I900V841-L845 WeakPolarHBondContact O-CG 3.23Å; V841-L845 PolarHBondContact O-N 2.98Å; K842-L845 PolarHBondContact O-N 2.9Å; E843-L845 VanDerWaalsContact C-N 3.3Å; E843-L845 PolarHBondContact O-N 2.95Å; L845-F847 VanDerWaalsContact C-N 3.33Å; L845-F847 PolarHBondContact O-N 3.4Å; L845-Y848 PolarHBondContact O-N 3.01Å; L845-A849 WeakPolarHBondContact O-CB 3.26Å; L845-A849 PolarHBondContact O-N 3.44Å; L845-V865 HydrophobicContact CB-CG1 3.96Å; L845-V865 HydrophobicContact CB-CG2 3.93Å; L845-V865 HydrophobicContact CD1-CG1 4.16Å; L845-L869 HydrophobicContact CD1-CD1 4.24Å; L845-L869 HydrophobicContact CD1-CD2 3.6Å; L845-L869 HydrophobicContact CD1-CG 3.62Å; L845-L893 HydrophobicContact CD2-CD1 4.07Å; L845-L893 HydrophobicContact CG-CD1 4.3Å; L845-A896 HydrophobicContact CD2-CB 3.72Å; L845-I897 HydrophobicContact CD2-CG1 4.22Å; L845-I900 HydrophobicContact CB-CD1 3.69Å; L845-I900 HydrophobicContact CD2-CD1 4.01Å; L845-I900 HydrophobicContact CG-CD1 4.41Å; L845-I900 VanDerWaalsContact O-CD1 3.23Å; L845-I900 WeakPolarHBondContact O-CD1 3.38Å
846H85.7Confident79.2Confident52 Ų5248.3 Ų48.324%0.24128%0.283CS..Hα-helixtrans-61-39.3173.6-72.5-61.3000113K842 A849 G850K842-H846 WeakPolarHBondContact CE-NE2 3.34Å; K842-H846 PolarHBondContact O-CD2 2.91Å; K842-H846 PolarHBondContact O-N 2.94Å; K842-H846 VanDerWaalsContact O-N 3.12Å; H846-A849 PolarHBondContact O-N 3.3Å; H846-G850 PolarHBondContact O-N 2.93Å
847F85.6Confident77.9Confident78 Ų7850.4 Ų50.434%0.34230%0.297SS..Hα-helixtrans-61.3-46.8177.7178.7-101.5000112.1M621 F836 E843 H844 L845 L851M621-F847 HydrophobicContact SD-CZ 4.41Å; F836-F847 HydrophobicContact CE2-CD1 4.14Å; F836-F847 AromaticContact CE2-CE1 3.7Å; F836-F847 HydrophobicContact CE2-CE1 3.7Å; F836-F847 HydrophobicContact CE2-CZ 4.35Å; F836-F847 HydrophobicContact CZ-CE1 4.07Å; F836-F847 HydrophobicContact CZ-CZ 4.31Å; E843-F847 WeakPolarHBondContact O-CB 3.37Å; E843-F847 PolarHBondContact O-N 3.45Å; H844-F847 PolarHBondContact O-N 3.02Å; L845-F847 VanDerWaalsContact C-N 3.33Å; L845-F847 PolarHBondContact O-N 3.4Å; F847-L851 HydrophobicContact CD1-CD1 3.97Å; F847-L851 HydrophobicContact CE1-CD1 3.44Å; F847-L851 VanDerWaalsContact CE1-CD1 3.44Å; F847-L851 HydrophobicContact CE1-CG 4.4Å; F847-L851 HydrophobicContact CE2-CD1 4.46Å; F847-L851 HydrophobicContact CZ-CD1 3.73Å; F847-L851 HydrophobicContact CZ-CG 4.43Å; F847-L851 WeakPolarHBondContact O-CG 3.46Å; F847-L851 PolarHBondContact O-N 3.15Å; F847-L851 VanDerWaalsContact O-N 3.11Å
848Y83.6Confident76.6Confident1 Ų154.9 Ų54.90%0.00431%0.313CS..Hα-helixtrans-79.5-20.3179.2-73.8-69000114.3F620 M624 F836 H844 L845 L851 K852 I897F620-Y848 HydrophobicContact CD1-CE1 4.12Å; F620-Y848 AromaticContact CD1-CZ 3.95Å; F620-Y848 WeakPolarHBondContact CD1-OH 3.17Å; F620-Y848 AromaticContact CE1-CE1 3.8Å; F620-Y848 HydrophobicContact CE1-CE1 3.8Å; F620-Y848 HydrophobicContact CE1-CE2 4.32Å; F620-Y848 AromaticContact CE1-CZ 3.63Å; M624-Y848 HydrophobicContact CG-CD1 4.42Å; M624-Y848 HydrophobicContact CG-CE1 4.43Å; F836-Y848 HydrophobicContact CE2-CE2 4.38Å; F836-Y848 WeakPolarHBondContact CE2-OH 3.43Å; H844-Y848 VanDerWaalsContact O-CD2 3.25Å; H844-Y848 WeakPolarHBondContact O-CD2 3.39Å; H844-Y848 PolarHBondContact O-N 2.78Å; L845-Y848 PolarHBondContact O-N 3.01Å; Y848-L851 HydrophobicContact CD1-CD1 3.92Å; Y848-L851 HydrophobicContact CE1-CD1 4.02Å; Y848-K852 PolarHBondContact O-N 2.73Å; Y848-I897 HydrophobicContact CD1-CG2 3.97Å; Y848-I897 HydrophobicContact CD2-CB 4.3Å; Y848-I897 HydrophobicContact CD2-CD1 3.78Å; Y848-I897 HydrophobicContact CD2-CG1 3.76Å; Y848-I897 HydrophobicContact CD2-CG2 3.56Å; Y848-I897 HydrophobicContact CE1-CG2 4.43Å; Y848-I897 HydrophobicContact CE2-CD1 3.89Å; Y848-I897 HydrophobicContact CE2-CG1 4.37Å; Y848-I897 HydrophobicContact CE2-CG2 4.06Å; Y848-I897 HydrophobicContact CG-CG1 4.4Å; Y848-I897 HydrophobicContact CG-CG2 3.52Å
849A80.5Confident75.3Confident3 Ų351.7 Ų51.73%0.02530%0.301CS..Hα-helixtrans-65.1-55166.700000110.6L845 H846 L851 K852 G853 I900L845-A849 WeakPolarHBondContact O-CB 3.26Å; L845-A849 PolarHBondContact O-N 3.44Å; H846-A849 PolarHBondContact O-N 3.3Å; A849-L851 VanDerWaalsContact C-N 3.3Å; A849-L851 PolarHBondContact O-N 3.23Å; A849-K852 PolarHBondContact O-N 2.74Å; A849-G853 PolarHBondContact O-N 2.76Å; A849-I900 HydrophobicContact CB-CD1 3.98Å; A849-I900 HydrophobicContact CB-CG1 4.01Å
850G77.9Confident74.1Confident49 Ų4953.4 Ų53.451%0.50531%0.311SS..Hα-helixtrans-58.4-38178.100000113.4H846 K852 G853H846-G850 PolarHBondContact O-N 2.93Å; G850-K852 VanDerWaalsContact C-N 3.33Å; G850-K852 PolarHBondContact O-N 2.72Å; G850-G853 PolarHBondContact O-N 3.16Å
851L75.6Confident73Confident57 Ų5753.2 Ų53.230%0.29831%0.309SS..Hα-helixtrans-65.3-28.9175.3-77.6-178.4000114.5V626 F847 Y848 A849 G853V626-L851 HydrophobicContact CG2-CD1 4.35Å; V626-L851 HydrophobicContact CG2-CD2 3.79Å; F847-L851 HydrophobicContact CD1-CD1 3.97Å; F847-L851 HydrophobicContact CE1-CD1 3.44Å; F847-L851 VanDerWaalsContact CE1-CD1 3.44Å; F847-L851 HydrophobicContact CE1-CG 4.4Å; F847-L851 HydrophobicContact CE2-CD1 4.46Å; F847-L851 HydrophobicContact CZ-CD1 3.73Å; F847-L851 HydrophobicContact CZ-CG 4.43Å; F847-L851 WeakPolarHBondContact O-CG 3.46Å; F847-L851 PolarHBondContact O-N 3.15Å; F847-L851 VanDerWaalsContact O-N 3.11Å; Y848-L851 HydrophobicContact CD1-CD1 3.92Å; Y848-L851 HydrophobicContact CE1-CD1 4.02Å; A849-L851 VanDerWaalsContact C-N 3.3Å; A849-L851 PolarHBondContact O-N 3.23Å; L851-G853 VanDerWaalsContact C-N 3.34Å
852K73.2Confident72.1Confident8 Ų855.3 Ų55.34%0.03533%0.326CS..Hα-helixtrans-82.3-13.8176.4-73.2179.9-175.9173.90112.9Q824 Y848 A849 G850 I897 A898 I900Q824-K852 WeakPolarHBondContact CG-O 3.42Å; Q824-K852 PolarHBondContact NE2-O 3.48Å; Y848-K852 PolarHBondContact O-N 2.73Å; A849-K852 PolarHBondContact O-N 2.74Å; G850-K852 VanDerWaalsContact C-N 3.33Å; G850-K852 PolarHBondContact O-N 2.72Å; K852-I897 PolarHBondContact NZ-O 3.44Å; K852-A898 PolarHBondContact NZ-O 3.29Å; K852-I900 HydrophobicContact CD-CG2 4.22Å; K852-I900 WeakPolarHBondContact CD-O 3.47Å; K852-I900 PolarHBondContact NZ-O 3.23Å
853G63.4Low71.5Confident34 Ų3456.6 Ų56.635%0.35134%0.337SS..  trans7764.4174.900000113.3A849 G850 L851A849-G853 PolarHBondContact O-N 2.76Å; G850-G853 PolarHBondContact O-N 3.16Å; L851-G853 VanDerWaalsContact C-N 3.34Å
854A54.2Low71Confident38 Ų3855.1 Ų55.131%0.31433%0.333SS..  trans-63153.2151.500000109.7G856 D861A854-G856 PolarHBondContact O-N 3.24Å; A854-D861 VanDerWaalsContact CB-OD1 3.25Å; A854-D861 WeakPolarHBondContact CB-OD1 3.18Å
855D54.4Low70.7Confident109 Ų10955.2 Ų55.258%0.58333%0.333SS*.  trans-78.550.1-165.5-57.7-64.6000114.1N857 R902D855-N857 PolarHBondContact O-N 3.39Å; D855-R902 IonicContact OD1-NH1 3.05Å; D855-R902 IonicContact OD2-CZ 2.74Å; D855-R902 IonicContact OD2-NH1 2.74Å; D855-R902 PolarHBondContact OD2-NH1 3.35Å; D855-R902 IonicContact OD2-NH2 3.65Å; D855-R902 PolarHBondContact OD2-NH2 3.29Å
856G54.1Low70.5Confident63 Ų6359.9 Ų59.965%0.64936%0.355SS*.SBendtrans70.5-15.9174.300000116.4A854 F858A854-G856 PolarHBondContact O-N 3.24Å; G856-F858 PolarHBondContact O-N 2.95Å; G856-F858 VanDerWaalsContact O-N 3.08Å
857N57.5Low70.3Confident93 Ų9359.4 Ų59.450%0.49736%0.36SS..  trans-74.794177.8-71.9-12.9000111.3D855 S859 D860D855-N857 PolarHBondContact O-N 3.39Å; N857-S859 PolarHBondContact O-N 3.46Å; N857-D860 PolarHBondContact O-N 3.33Å
858F56.2Low70.3Confident167 Ų16755.9 Ų55.973%0.73235%0.345SS*.Hα-helixtrans-55.1-15.9176.5-110.2-88.2000115.2G856G856-F858 PolarHBondContact O-N 2.95Å; G856-F858 VanDerWaalsContact O-N 3.08Å
859S57.5Low70.4Confident71 Ų7156.2 Ų56.250%0.49735%0.347SS..Hα-helixtrans-63.7-52.3170.940.90000111.7N857 D861 A862 D863N857-S859 PolarHBondContact O-N 3.46Å; S859-D861 VanDerWaalsContact C-N 3.33Å; S859-D861 PolarHBondContact O-N 3.26Å; S859-A862 WeakPolarHBondContact O-CB 3.37Å; S859-A862 PolarHBondContact O-N 3.32Å; S859-D863 PolarHBondContact O-N 3.18Å
860D61.7Low70.6Confident85 Ų8562.9 Ų62.946%0.45537%0.371SS..Hα-helixtrans-69.5-38.9-168.7-54.419.4000109.2N857 A862 D863 D864N857-D860 PolarHBondContact O-N 3.33Å; D860-A862 VanDerWaalsContact C-N 3.28Å; D860-A862 PolarHBondContact O-N 3.44Å; D860-D863 PolarHBondContact O-N 3.36Å; D860-D864 WeakPolarHBondContact O-CB 3.49Å; D860-D864 PolarHBondContact O-N 3.25Å; D860-D864 VanDerWaalsContact O-N 3.09Å
861D65.2Low70.7Confident20 Ų2063 Ų6311%0.10736%0.36CS..Hα-helixtrans-57.9-35.4170.8-80.5-32.8000113A854 S859 V865A854-D861 VanDerWaalsContact CB-OD1 3.25Å; A854-D861 WeakPolarHBondContact CB-OD1 3.18Å; S859-D861 VanDerWaalsContact C-N 3.33Å; S859-D861 PolarHBondContact O-N 3.26Å; D861-V865 VanDerWaalsContact O-CB 3.23Å; D861-V865 WeakPolarHBondContact O-CB 3.28Å; D861-V865 WeakPolarHBondContact O-CG2 2.98Å; D861-V865 PolarHBondContact O-N 3.01Å; D861-V865 VanDerWaalsContact O-N 3.09Å
862A71Confident70.9Confident43 Ų4360.5 Ų60.536%0.35535%0.348SS..Hα-helixtrans-72.5-44.2-177.100000111.9S859 D860 V865 E866S859-A862 WeakPolarHBondContact O-CB 3.37Å; S859-A862 PolarHBondContact O-N 3.32Å; D860-A862 VanDerWaalsContact C-N 3.28Å; D860-A862 PolarHBondContact O-N 3.44Å; A862-V865 PolarHBondContact O-N 3.17Å; A862-E866 PolarHBondContact O-N 3.45Å
863D77.3Confident71.2Confident123 Ų12363.9 Ų63.966%0.65837%0.372SS*.Hα-helixtrans-68.6-40.1178.4-74.1-22.4000111.7S859 D860 E866 A867S859-D863 PolarHBondContact O-N 3.18Å; D860-D863 PolarHBondContact O-N 3.36Å; D863-E866 PolarHBondContact O-N 3.03Å; D863-A867 VanDerWaalsContact O-CB 3.31Å; D863-A867 WeakPolarHBondContact O-CB 3.41Å; D863-A867 PolarHBondContact O-N 3.02Å
864D78.4Confident72.2Confident63 Ų6362.4 Ų62.434%0.33736%0.356SS..Hα-helixtrans-65.2-40.6176.6-131.933.1000111.2D860 I868 G901D860-D864 WeakPolarHBondContact O-CB 3.49Å; D860-D864 PolarHBondContact O-N 3.25Å; D860-D864 VanDerWaalsContact O-N 3.09Å; D864-I868 WeakPolarHBondContact O-CB 3.13Å; D864-I868 WeakPolarHBondContact O-CD1 3.41Å; D864-I868 VanDerWaalsContact O-CG1 3.29Å; D864-I868 WeakPolarHBondContact O-CG1 3.37Å; D864-I868 PolarHBondContact O-N 3.32Å; D864-I868 VanDerWaalsContact O-N 3.13Å; D864-G901 PolarHBondContact OD2-N 3.47Å
865V83.4Confident73.6Confident3 Ų365.9 Ų65.92%0.01837%0.366CS..Hα-helixtrans-61.8-46.8173.4165.60000111.3L845 D861 A862 I868 L869 I900L845-V865 HydrophobicContact CB-CG1 3.96Å; L845-V865 HydrophobicContact CB-CG2 3.93Å; L845-V865 HydrophobicContact CD1-CG1 4.16Å; D861-V865 VanDerWaalsContact O-CB 3.23Å; D861-V865 WeakPolarHBondContact O-CB 3.28Å; D861-V865 WeakPolarHBondContact O-CG2 2.98Å; D861-V865 PolarHBondContact O-N 3.01Å; D861-V865 VanDerWaalsContact O-N 3.09Å; A862-V865 PolarHBondContact O-N 3.17Å; V865-I868 PolarHBondContact O-N 3Å; V865-L869 HydrophobicContact CG1-CD1 3.87Å; V865-L869 WeakPolarHBondContact O-CG 3.45Å; V865-L869 PolarHBondContact O-N 3.03Å; V865-I900 HydrophobicContact CG2-CD1 3.81Å
866E84Confident74.9Confident98 Ų9866.8 Ų66.846%0.45838%0.379SS..Hα-helixtrans-70.8-39.3-178.2-162.3173.6135.900112.3A862 D863 I868 L869 R870A862-E866 PolarHBondContact O-N 3.45Å; D863-E866 PolarHBondContact O-N 3.03Å; E866-I868 VanDerWaalsContact C-N 3.28Å; E866-I868 PolarHBondContact O-N 3.32Å; E866-L869 PolarHBondContact O-N 2.9Å; E866-R870 WeakPolarHBondContact O-CG 3.45Å; E866-R870 PolarHBondContact O-N 2.82Å; E866-R870 IonicContact OE1-CZ 3.31Å; E866-R870 IonicContact OE1-NE 2.72Å; E866-R870 PolarHBondContact OE1-NE 3.09Å; E866-R870 IonicContact OE1-NH2 3.05Å; E866-R870 PolarHBondContact OE1-NH2 3.3Å
867A82.5Confident76.3Confident42 Ų4266.6 Ų66.635%0.34736%0.36SS..Hα-helixtrans-57.2-41.7173.200000111.9D863 R870 D871D863-A867 VanDerWaalsContact O-CB 3.31Å; D863-A867 WeakPolarHBondContact O-CB 3.41Å; D863-A867 PolarHBondContact O-N 3.02Å; A867-R870 PolarHBondContact O-N 3.13Å; A867-D871 PolarHBondContact O-N 2.76Å
868I84.2Confident77.6Confident4 Ų463.6 Ų63.62%0.02135%0.346CS..Hα-helixtrans-70.9-35.8177.3-70.7169.6000112.1D864 V865 E866 R870 T872 A896 I900D864-I868 WeakPolarHBondContact O-CB 3.13Å; D864-I868 WeakPolarHBondContact O-CD1 3.41Å; D864-I868 VanDerWaalsContact O-CG1 3.29Å; D864-I868 WeakPolarHBondContact O-CG1 3.37Å; D864-I868 PolarHBondContact O-N 3.32Å; D864-I868 VanDerWaalsContact O-N 3.13Å; V865-I868 PolarHBondContact O-N 3Å; E866-I868 VanDerWaalsContact C-N 3.28Å; E866-I868 PolarHBondContact O-N 3.32Å; I868-R870 VanDerWaalsContact C-N 3.33Å; I868-R870 PolarHBondContact O-N 2.93Å; I868-T872 HydrophobicContact CG2-CG2 4.16Å; I868-T872 VanDerWaalsContact O-CB 3.31Å; I868-T872 WeakPolarHBondContact O-CB 3.47Å; I868-T872 VanDerWaalsContact O-CG2 3.24Å; I868-T872 WeakPolarHBondContact O-CG2 3.15Å; I868-T872 PolarHBondContact O-N 2.99Å; I868-T872 PolarHBondContact O-OG1 3.29Å; I868-A896 HydrophobicContact CG2-CB 3.65Å; I868-I900 VanDerWaalsContact CD1-CA 3.48Å; I868-I900 HydrophobicContact CD1-CB 3.86Å; I868-I900 HydrophobicContact CD1-CD1 4.32Å; I868-I900 HydrophobicContact CD1-CG1 3.85Å
869L86Confident79.1Confident8 Ų862.1 Ų62.14%0.04235%0.345CS..Hα-helixtrans-63.1-38.6174.4-76.8164.8000112.5V841 L845 V865 E866 T872 S873 L874 V878V841-L869 HydrophobicContact CG1-CD2 3.75Å; L845-L869 HydrophobicContact CD1-CD1 4.24Å; L845-L869 HydrophobicContact CD1-CD2 3.6Å; L845-L869 HydrophobicContact CD1-CG 3.62Å; V865-L869 HydrophobicContact CG1-CD1 3.87Å; V865-L869 WeakPolarHBondContact O-CG 3.45Å; V865-L869 PolarHBondContact O-N 3.03Å; E866-L869 PolarHBondContact O-N 2.9Å; L869-T872 PolarHBondContact O-OG1 2.88Å; L869-S873 PolarHBondContact O-N 2.72Å; L869-L874 HydrophobicContact CD2-CB 4.12Å; L869-L874 PolarHBondContact O-N 2.74Å; L869-V878 HydrophobicContact CD1-CG1 4.38Å; L869-V878 HydrophobicContact CD1-CG2 3.77Å; L869-V878 HydrophobicContact CD2-CG2 3.88Å; L869-V878 HydrophobicContact CG-CG2 4.31Å
870R84.7Confident80.5Confident142 Ų14262 Ų6254%0.53634%0.337SS..Hα-helixtrans-67.3-53.7173.8-64.4174.1-169177.24.6111.5E866 A867 I868 T872 S873 E875E866-R870 WeakPolarHBondContact O-CG 3.45Å; E866-R870 PolarHBondContact O-N 2.82Å; E866-R870 IonicContact OE1-CZ 3.31Å; E866-R870 IonicContact OE1-NE 2.72Å; E866-R870 PolarHBondContact OE1-NE 3.09Å; E866-R870 IonicContact OE1-NH2 3.05Å; E866-R870 PolarHBondContact OE1-NH2 3.3Å; A867-R870 PolarHBondContact O-N 3.13Å; I868-R870 VanDerWaalsContact C-N 3.33Å; I868-R870 PolarHBondContact O-N 2.93Å; R870-T872 VanDerWaalsContact C-N 3.29Å; R870-T872 PolarHBondContact O-N 3.18Å; R870-S873 PolarHBondContact O-N 3.38Å; R870-E875 WeakPolarHBondContact CA-OE1 3.41Å; R870-E875 HydrophobicContact CG-CG 4.12Å
871D80.9Confident81.7Confident52 Ų5261.6 Ų61.628%0.27833%0.334SS..Hα-helixtrans-56.8-40.8179.1-92.4-26.7000112.9A867 S873 K930A867-D871 PolarHBondContact O-N 2.76Å; D871-S873 VanDerWaalsContact C-N 3.27Å; D871-S873 PolarHBondContact O-N 2.92Å; D871-K930 WeakPolarHBondContact OD2-CE 3.15Å; D871-K930 IonicContact OD2-NZ 3.5Å; D871-K930 PolarHBondContact OD2-NZ 2.91Å
872T80.4Confident82.7Confident5 Ų560.7 Ų60.73%0.03133%0.33CS..THydrogen-bonded Turntrans-80.5-6.4178.659.60000113.4I868 L869 R870 R892 A896 L926I868-T872 HydrophobicContact CG2-CG2 4.16Å; I868-T872 VanDerWaalsContact O-CB 3.31Å; I868-T872 WeakPolarHBondContact O-CB 3.47Å; I868-T872 VanDerWaalsContact O-CG2 3.24Å; I868-T872 WeakPolarHBondContact O-CG2 3.15Å; I868-T872 PolarHBondContact O-N 2.99Å; I868-T872 PolarHBondContact O-OG1 3.29Å; L869-T872 PolarHBondContact O-OG1 2.88Å; R870-T872 VanDerWaalsContact C-N 3.29Å; R870-T872 PolarHBondContact O-N 3.18Å; T872-R892 WeakPolarHBondContact O-CD 3.01Å; T872-R892 PolarHBondContact O-NH1 3.36Å; T872-A896 HydrophobicContact CG2-CB 3.85Å; T872-L926 HydrophobicContact CG2-CD1 3.62Å
873S79.6Confident83.2Confident78 Ų7861.1 Ų61.155%0.54533%0.33SS..THydrogen-bonded Turntrans52.152.4-175.4-44.50000112.5L869 R870 D871 R892L869-S873 PolarHBondContact O-N 2.72Å; R870-S873 PolarHBondContact O-N 3.38Å; D871-S873 VanDerWaalsContact C-N 3.27Å; D871-S873 PolarHBondContact O-N 2.92Å; S873-R892 PolarHBondContact O-NH1 2.84Å
874L83.4Confident83.4Confident3 Ų358.5 Ų58.52%0.01632%0.322CS..  trans-114.74.2176.5-68.2177.6000113.2V841 L869 C876 K877 V878 M889 R892 L893V841-L874 HydrophobicContact CG1-CB 4.44Å; V841-L874 HydrophobicContact CG1-CD1 4.25Å; L869-L874 HydrophobicContact CD2-CB 4.12Å; L869-L874 PolarHBondContact O-N 2.74Å; L874-C876 VanDerWaalsContact C-N 3.33Å; L874-C876 PolarHBondContact O-N 3.27Å; L874-K877 CarbonylContact O-C 3.59Å; L874-K877 WeakPolarHBondContact O-CA 3.47Å; L874-K877 WeakPolarHBondContact O-CB 3.09Å; L874-K877 PolarHBondContact O-N 3.11Å; L874-V878 PolarHBondContact O-N 2.84Å; L874-M889 HydrophobicContact CD2-CB 4.3Å; L874-M889 HydrophobicContact CD2-CG 4.32Å; L874-R892 HydrophobicContact CD1-CB 4.37Å; L874-L893 HydrophobicContact CD1-CB 4.03Å
875E83Confident83.5Confident111 Ų11155.8 Ų55.852%0.51931%0.307SS..G310 helixtrans-43.6-50.6176.9-62.4168.6-130.400113.6R870 K877 V878R870-E875 WeakPolarHBondContact CA-OE1 3.41Å; R870-E875 HydrophobicContact CG-CG 4.12Å; E875-K877 PolarHBondContact O-N 2.7Å; E875-V878 WeakPolarHBondContact O-CG2 3.45Å; E875-V878 PolarHBondContact O-N 2.73Å
876C82.5Confident83Confident128 Ų12858.5 Ų58.587%0.86533%0.326SS*.G310 helixtrans-704.2-179.7-52.10000114.5L874L874-C876 VanDerWaalsContact C-N 3.33Å; L874-C876 PolarHBondContact O-N 3.27Å
877K83.8Confident82.5Confident59 Ų5956 Ų5626%0.25733%0.327SS..G310 helixtrans-133.77.1-174.6-69.3-66.3-175.5172.10113.9V841 L874 E875 N879 E880 L885V841-K877 WeakPolarHBondContact CG2-O 3.37Å; L874-K877 CarbonylContact O-C 3.59Å; L874-K877 WeakPolarHBondContact O-CA 3.47Å; L874-K877 WeakPolarHBondContact O-CB 3.09Å; L874-K877 PolarHBondContact O-N 3.11Å; E875-K877 PolarHBondContact O-N 2.7Å; K877-N879 PolarHBondContact O-N 2.86Å; K877-N879 VanDerWaalsContact O-N 3.1Å; K877-E880 HydrophobicContact CD-CB 4.31Å; K877-E880 VanDerWaalsContact CD-CD 3.47Å; K877-E880 HydrophobicContact CD-CG 4.26Å; K877-E880 WeakPolarHBondContact CD-OE1 3.41Å; K877-E880 WeakPolarHBondContact CD-OE2 3.48Å; K877-E880 IonicContact NZ-OE1 2.8Å; K877-E880 PolarHBondContact NZ-OE1 3.42Å; K877-E880 IonicContact NZ-OE2 3.66Å; K877-E880 PolarHBondContact NZ-OE2 2.83Å; K877-E880 PolarHBondContact O-N 3.07Å; K877-L885 HydrophobicContact CB-CD2 4.11Å; K877-L885 HydrophobicContact CD-CD2 4.25Å; K877-L885 HydrophobicContact CG-CD2 4.21Å
878V85.3Confident82.1Confident31 Ų3154.1 Ų54.119%0.18831%0.311CS..THydrogen-bonded Turntrans-49.2-39.9-175.6171.30000113.9V841 K842 L869 L874 E875V841-V878 PolarHBondContact N-O 3.42Å; K842-V878 HydrophobicContact CB-CG1 3.8Å; K842-V878 HydrophobicContact CD-CG1 4.11Å; K842-V878 HydrophobicContact CG-CG1 4.26Å; K842-V878 PolarHBondContact N-O 2.75Å; L869-V878 HydrophobicContact CD1-CG1 4.38Å; L869-V878 HydrophobicContact CD1-CG2 3.77Å; L869-V878 HydrophobicContact CD2-CG2 3.88Å; L869-V878 HydrophobicContact CG-CG2 4.31Å; L874-V878 PolarHBondContact O-N 2.84Å; E875-V878 WeakPolarHBondContact O-CG2 3.45Å; E875-V878 PolarHBondContact O-N 2.73Å
879N87.4Confident82.1Confident135 Ų13556.4 Ų56.472%0.72232%0.323SS*.THydrogen-bonded Turntrans-98.86.3-177.8-62.3-15.2000114.1K877K877-N879 PolarHBondContact O-N 2.86Å; K877-N879 VanDerWaalsContact O-N 3.1Å
880E86.1Confident82.1Confident68 Ų6858.6 Ų58.632%0.31833%0.331SS..SBendtrans-84.4144.9172.7-91.2-174-143.500111.4T840 V841 K877 S884T840-E880 VanDerWaalsContact CA-O 3.29Å; T840-E880 WeakPolarHBondContact CA-O 3.02Å; V841-E880 PolarHBondContact N-O 3.27Å; V841-E880 VanDerWaalsContact N-O 3.13Å; K877-E880 HydrophobicContact CD-CB 4.31Å; K877-E880 VanDerWaalsContact CD-CD 3.47Å; K877-E880 HydrophobicContact CD-CG 4.26Å; K877-E880 WeakPolarHBondContact CD-OE1 3.41Å; K877-E880 WeakPolarHBondContact CD-OE2 3.48Å; K877-E880 IonicContact NZ-OE1 2.8Å; K877-E880 PolarHBondContact NZ-OE1 3.42Å; K877-E880 IonicContact NZ-OE2 3.66Å; K877-E880 PolarHBondContact NZ-OE2 2.83Å; K877-E880 PolarHBondContact O-N 3.07Å; E880-S884 PolarHBondContact OE2-OG 2.81Å
881L87.4Confident82.2Confident77 Ų7752 Ų5240%0.40331%0.307SS..BIsolated β-bridgetrans-63.7141.2173.1-64.9173.6000110.1D838 T840 S883 S884D838-L881 WeakPolarHBondContact O-CD2 3.36Å; T840-L881 HydrophobicContact CG2-CD2 4.33Å; L881-S883 WeakPolarHBondContact CB-OG 3.24Å; L881-S883 PolarHBondContact O-N 3.42Å; L881-S884 PolarHBondContact O-N 3.43Å; L881-S884 PolarHBondContact O-OG 3.31Å; L881-S884 VanDerWaalsContact O-OG 3.06Å
882A84.8Confident82.5Confident1 Ų150.7 Ų50.71%0.00830%0.298CS..G310 helixtrans-55.5-28.4178.200000112.6L835 L839 H844 S884 L885 K890 L893L835-A882 HydrophobicContact CB-CB 4.36Å; L835-A882 HydrophobicContact CD1-CB 4.42Å; L839-A882 PolarHBondContact O-N 2.82Å; H844-A882 VanDerWaalsContact CE1-CB 3.44Å; H844-A882 WeakPolarHBondContact CE1-CB 3.31Å; A882-S884 PolarHBondContact O-N 3.47Å; A882-L885 PolarHBondContact O-N 3.08Å; A882-K890 WeakPolarHBondContact O-CE 3.39Å; A882-L893 HydrophobicContact CB-CD2 4.33Å
883S82.4Confident82.9Confident52 Ų5250.4 Ų50.436%0.36430%0.296SS..G310 helixtrans-59-37175.252.70000114.8N837 L881 L885 K890N837-S883 WeakPolarHBondContact O-CB 3.27Å; N837-S883 PolarHBondContact O-N 3.2Å; N837-S883 PolarHBondContact O-OG 3.32Å; N837-S883 VanDerWaalsContact O-OG 3.11Å; L881-S883 WeakPolarHBondContact CB-OG 3.24Å; L881-S883 PolarHBondContact O-N 3.42Å; S883-L885 VanDerWaalsContact C-N 3.34Å; S883-L885 PolarHBondContact O-N 3.43Å; S883-K890 PolarHBondContact O-NZ 3.27Å
884S81.6Confident83.4Confident69 Ų6946.8 Ų46.848%0.48327%0.271SS..G310 helixtrans-76.5-17.7-177.767.10000114.4E880 L881 A882E880-S884 PolarHBondContact OE2-OG 2.81Å; L881-S884 PolarHBondContact O-N 3.43Å; L881-S884 PolarHBondContact O-OG 3.31Å; L881-S884 VanDerWaalsContact O-OG 3.06Å; A882-S884 PolarHBondContact O-N 3.47Å
885L80.3Confident83.6Confident6 Ų646.7 Ų46.73%0.03127%0.27CS..SBendtrans-67.3146.6-175.9-62.1-176.8000113V841 K877 A882 S883 M889 K890 L893V841-L885 HydrophobicContact CG2-CD1 3.93Å; V841-L885 HydrophobicContact CG2-CD2 4.48Å; K877-L885 HydrophobicContact CB-CD2 4.11Å; K877-L885 HydrophobicContact CD-CD2 4.25Å; K877-L885 HydrophobicContact CG-CD2 4.21Å; A882-L885 PolarHBondContact O-N 3.08Å; S883-L885 VanDerWaalsContact C-N 3.34Å; S883-L885 PolarHBondContact O-N 3.43Å; L885-M889 HydrophobicContact CB-CB 3.88Å; L885-M889 HydrophobicContact CD1-CB 4.45Å; L885-M889 HydrophobicContact CD2-CB 4.29Å; L885-M889 HydrophobicContact CD2-SD 4.33Å; L885-M889 HydrophobicContact CG-CB 4.44Å; L885-K890 HydrophobicContact CB-CD 4.5Å; L885-K890 HydrophobicContact CB-CG 3.71Å; L885-K890 WeakPolarHBondContact O-CE 3.36Å; L885-K890 PolarHBondContact O-NZ 3.26Å; L885-L893 HydrophobicContact CD1-CD2 4.02Å
886S73.9Confident83.9Confident59 Ų5941.4 Ų41.441%0.41325%0.246SC..  trans-67.8163.8171.977.70000111.9G888 M889 K890S886-G888 VanDerWaalsContact C-N 3.34Å; S886-G888 PolarHBondContact O-N 3.34Å; S886-M889 PolarHBondContact O-N 2.73Å; S886-M889 WeakPolarHBondContact OG-CG 3.07Å; S886-M889 PolarHBondContact OG-N 3.24Å; S886-K890 WeakPolarHBondContact O-CG 2.97Å; S886-K890 PolarHBondContact O-N 3.11Å
887G72.7Confident84.2Confident47 Ų4735.4 Ų35.449%0.48521%0.205SC..Hα-helixtrans-53.6-46.6179.400000113.5K890 R891G887-K890 PolarHBondContact O-N 2.86Å; G887-R891 WeakPolarHBondContact O-CB 3.34Å; G887-R891 PolarHBondContact O-N 3.04Å
888G74.9Confident84.3Confident1 Ų132.6 Ų32.61%0.0119%0.193CC..Hα-helixtrans-70.4-25.6175.900000114.7S886 R892S886-G888 VanDerWaalsContact C-N 3.34Å; S886-G888 PolarHBondContact O-N 3.34Å; G888-R892 WeakPolarHBondContact O-CG 3.48Å; G888-R892 PolarHBondContact O-N 3.29Å; G888-R892 VanDerWaalsContact O-N 3.15Å; G888-R892 PolarHBondContact O-NE 2.83Å
889M84.3Confident84.3Confident53 Ų5331.2 Ų31.226%0.26118%0.184SC..Hα-helixtrans-74.6-44.8171.3-73.2169.2176.900111.3L874 L885 S886 R891 R892 L893L874-M889 HydrophobicContact CD2-CB 4.3Å; L874-M889 HydrophobicContact CD2-CG 4.32Å; L885-M889 HydrophobicContact CB-CB 3.88Å; L885-M889 HydrophobicContact CD1-CB 4.45Å; L885-M889 HydrophobicContact CD2-CB 4.29Å; L885-M889 HydrophobicContact CD2-SD 4.33Å; L885-M889 HydrophobicContact CG-CB 4.44Å; S886-M889 PolarHBondContact O-N 2.73Å; S886-M889 WeakPolarHBondContact OG-CG 3.07Å; S886-M889 PolarHBondContact OG-N 3.24Å; M889-R891 PolarHBondContact O-N 3.03Å; M889-R892 PolarHBondContact O-N 3.4Å; M889-L893 PolarHBondContact O-N 2.96Å
890K85.8Confident84Confident53 Ų5324.8 Ų24.823%0.2315%0.15CC..Hα-helixtrans-57.2-39.1171.4-71.5172.8170.3144.40111.2N833 L835 A882 S883 L885 S886 G887 L893 S894N833-K890 HydrophobicContact CB-CB 4.23Å; N833-K890 WeakPolarHBondContact ND2-CB 3.47Å; L835-K890 HydrophobicContact CD1-CB 4Å; L835-K890 HydrophobicContact CD1-CG 4.14Å; A882-K890 WeakPolarHBondContact O-CE 3.39Å; S883-K890 PolarHBondContact O-NZ 3.27Å; L885-K890 HydrophobicContact CB-CD 4.5Å; L885-K890 HydrophobicContact CB-CG 3.71Å; L885-K890 WeakPolarHBondContact O-CE 3.36Å; L885-K890 PolarHBondContact O-NZ 3.26Å; S886-K890 WeakPolarHBondContact O-CG 2.97Å; S886-K890 PolarHBondContact O-N 3.11Å; G887-K890 PolarHBondContact O-N 2.86Å; K890-L893 PolarHBondContact O-N 3.42Å; K890-S894 WeakPolarHBondContact O-CB 3.33Å; K890-S894 PolarHBondContact O-N 3.23Å
891R85.7Confident83.5Confident4 Ų422.1 Ų22.12%0.01514%0.141CC..Hα-helixtrans-65.3-44.9176.4-162.656.1168.1165.2-1.7112.6C829 P830 N833 G887 M889 L893 S894 I895 D909 E910 P911 V915 I923C829-R891 PolarHBondContact SG-NH1 3.23Å; P830-R891 PolarHBondContact O-NH1 2.97Å; P830-R891 PolarHBondContact O-NH2 3.23Å; N833-R891 WeakPolarHBondContact OD1-CA 3.49Å; N833-R891 WeakPolarHBondContact OD1-CD 3.34Å; N833-R891 PolarHBondContact OD1-NH1 3.44Å; G887-R891 WeakPolarHBondContact O-CB 3.34Å; G887-R891 PolarHBondContact O-N 3.04Å; M889-R891 PolarHBondContact O-N 3.03Å; R891-L893 VanDerWaalsContact C-N 3.34Å; R891-L893 PolarHBondContact O-N 3.45Å; R891-S894 PolarHBondContact O-N 2.98Å; R891-I895 HydrophobicContact CG-CD1 4.22Å; R891-I895 VanDerWaalsContact O-CG1 3.32Å; R891-I895 WeakPolarHBondContact O-CG1 3.31Å; R891-I895 PolarHBondContact O-N 3.18Å; R891-D909 PolarHBondContact NH2-O 3.32Å; R891-E910 PolarHBondContact NH2-O 3.34Å; R891-P911 VanDerWaalsContact CG-O 3.22Å; R891-P911 WeakPolarHBondContact CG-O 3.22Å; R891-P911 PolarHBondContact NE-O 3.12Å; R891-V915 HydrophobicContact CB-CG2 4.26Å; R891-V915 HydrophobicContact CG-CG2 3.97Å; R891-I923 HydrophobicContact CB-CD1 4.43Å; R891-I923 HydrophobicContact CG-CD1 3.94Å
892R87.1Confident82.7Confident24 Ų2425.7 Ų25.79%0.09115%0.149CC..Hα-helixtrans-62.5-36.9174.3-74.8-176.2-70.2139.7-7.9112.7T872 S873 L874 G888 M889 I895 A896 I923T872-R892 WeakPolarHBondContact O-CD 3.01Å; T872-R892 PolarHBondContact O-NH1 3.36Å; S873-R892 PolarHBondContact O-NH1 2.84Å; L874-R892 HydrophobicContact CD1-CB 4.37Å; G888-R892 WeakPolarHBondContact O-CG 3.48Å; G888-R892 PolarHBondContact O-N 3.29Å; G888-R892 VanDerWaalsContact O-N 3.15Å; G888-R892 PolarHBondContact O-NE 2.83Å; M889-R892 PolarHBondContact O-N 3.4Å; R892-I895 PolarHBondContact O-N 2.77Å; R892-A896 WeakPolarHBondContact O-CB 3.36Å; R892-A896 PolarHBondContact O-N 2.9Å; R892-I923 HydrophobicContact CG-CG1 4.05Å
893L89.9Confident82.3Confident0 Ų025.6 Ų25.60%015%0.148CC..Hα-helixtrans-67.9-41172.7179.853.5000112.6L835 V841 H844 L845 L874 A882 L885 M889 K890 R891 I895 A896 I897L835-L893 HydrophobicContact CD1-CD2 4.21Å; L835-L893 HydrophobicContact CD1-CG 4.47Å; L835-L893 HydrophobicContact CD2-CD2 4.21Å; L835-L893 HydrophobicContact CD2-CG 4.03Å; V841-L893 HydrophobicContact CG1-CD1 3.88Å; V841-L893 HydrophobicContact CG1-CD2 4.28Å; V841-L893 HydrophobicContact CG2-CD2 4.32Å; H844-L893 HydrophobicContact CB-CD1 4.29Å; L845-L893 HydrophobicContact CD2-CD1 4.07Å; L845-L893 HydrophobicContact CG-CD1 4.3Å; L874-L893 HydrophobicContact CD1-CB 4.03Å; A882-L893 HydrophobicContact CB-CD2 4.33Å; L885-L893 HydrophobicContact CD1-CD2 4.02Å; M889-L893 PolarHBondContact O-N 2.96Å; K890-L893 PolarHBondContact O-N 3.42Å; R891-L893 VanDerWaalsContact C-N 3.34Å; R891-L893 PolarHBondContact O-N 3.45Å; L893-I895 VanDerWaalsContact C-N 3.27Å; L893-I895 PolarHBondContact O-N 3.12Å; L893-A896 HydrophobicContact CD1-CB 4.34Å; L893-A896 VanDerWaalsContact O-CB 3.26Å; L893-A896 WeakPolarHBondContact O-CB 3.33Å; L893-A896 PolarHBondContact O-N 3.47Å; L893-A896 VanDerWaalsContact O-N 3.16Å; L893-I897 HydrophobicContact CD1-CD1 4.38Å; L893-I897 HydrophobicContact CG-CD1 4.37Å; L893-I897 WeakPolarHBondContact O-CG1 3.39Å; L893-I897 PolarHBondContact O-N 2.88Å; L893-I897 VanDerWaalsContact O-N 3.09Å
894S89Confident82Confident1 Ų126.3 Ų26.31%0.00715%0.148CC..Hα-helixtrans-60.7-37.8173.9-163.30000111.8C829 K890 R891 A898C829-S894 PolarHBondContact SG-OG 3.42Å; K890-S894 WeakPolarHBondContact O-CB 3.33Å; K890-S894 PolarHBondContact O-N 3.23Å; R891-S894 PolarHBondContact O-N 2.98Å; S894-A898 PolarHBondContact O-N 2.81Å
895I88.5Confident82Confident2 Ų223 Ų231%0.0113%0.125CC..Hα-helixtrans-71-39173.9-66.9164.3000111.2R891 R892 L893 I897 A898 F899 P911 I923 L926R891-I895 HydrophobicContact CG-CD1 4.22Å; R891-I895 VanDerWaalsContact O-CG1 3.32Å; R891-I895 WeakPolarHBondContact O-CG1 3.31Å; R891-I895 PolarHBondContact O-N 3.18Å; R892-I895 PolarHBondContact O-N 2.77Å; L893-I895 VanDerWaalsContact C-N 3.27Å; L893-I895 PolarHBondContact O-N 3.12Å; I895-I897 VanDerWaalsContact C-N 3.3Å; I895-I897 PolarHBondContact O-N 3.06Å; I895-A898 WeakPolarHBondContact O-CB 3.23Å; I895-A898 PolarHBondContact O-N 2.81Å; I895-F899 HydrophobicContact CG2-CD2 3.69Å; I895-F899 HydrophobicContact CG2-CE2 3.64Å; I895-F899 WeakPolarHBondContact O-CD2 3.31Å; I895-F899 PolarHBondContact O-N 2.85Å; I895-F899 VanDerWaalsContact O-N 3.1Å; I895-P911 HydrophobicContact CD1-CB 4.49Å; I895-I923 HydrophobicContact CD1-CD1 3.94Å; I895-I923 HydrophobicContact CD1-CG1 3.95Å; I895-I923 HydrophobicContact CD1-CG2 3.76Å; I895-L926 HydrophobicContact CG2-CD2 3.83Å
896A88.8Confident82.3Confident0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-54.6-44.9174.900000112.3L845 I868 T872 R892 L893 A898 F899 I900L845-A896 HydrophobicContact CD2-CB 3.72Å; I868-A896 HydrophobicContact CG2-CB 3.65Å; T872-A896 HydrophobicContact CG2-CB 3.85Å; R892-A896 WeakPolarHBondContact O-CB 3.36Å; R892-A896 PolarHBondContact O-N 2.9Å; L893-A896 HydrophobicContact CD1-CB 4.34Å; L893-A896 VanDerWaalsContact O-CB 3.26Å; L893-A896 WeakPolarHBondContact O-CB 3.33Å; L893-A896 PolarHBondContact O-N 3.47Å; L893-A896 VanDerWaalsContact O-N 3.16Å; A896-A898 VanDerWaalsContact C-N 3.28Å; A896-A898 PolarHBondContact O-N 2.98Å; A896-F899 PolarHBondContact O-N 2.99Å; A896-F899 VanDerWaalsContact O-N 3.14Å; A896-I900 PolarHBondContact O-N 2.95Å
897I88Confident82.7Confident1 Ų120.5 Ų20.51%0.00511%0.108CC..Hα-helixtrans-64.4-30.5176.9-67.9162.5000112.1F620 M624 L835 H844 L845 Y848 K852 L893 I895 I900F620-I897 HydrophobicContact CE1-CG2 4.1Å; F620-I897 HydrophobicContact CZ-CG2 3.93Å; M624-I897 HydrophobicContact CE-CG2 3.95Å; L835-I897 HydrophobicContact CD2-CD1 3.59Å; H844-I897 HydrophobicContact CB-CD1 4.35Å; L845-I897 HydrophobicContact CD2-CG1 4.22Å; Y848-I897 HydrophobicContact CD1-CG2 3.97Å; Y848-I897 HydrophobicContact CD2-CB 4.3Å; Y848-I897 HydrophobicContact CD2-CD1 3.78Å; Y848-I897 HydrophobicContact CD2-CG1 3.76Å; Y848-I897 HydrophobicContact CD2-CG2 3.56Å; Y848-I897 HydrophobicContact CE1-CG2 4.43Å; Y848-I897 HydrophobicContact CE2-CD1 3.89Å; Y848-I897 HydrophobicContact CE2-CG1 4.37Å; Y848-I897 HydrophobicContact CE2-CG2 4.06Å; Y848-I897 HydrophobicContact CG-CG1 4.4Å; Y848-I897 HydrophobicContact CG-CG2 3.52Å; K852-I897 PolarHBondContact NZ-O 3.44Å; L893-I897 HydrophobicContact CD1-CD1 4.38Å; L893-I897 HydrophobicContact CG-CD1 4.37Å; L893-I897 WeakPolarHBondContact O-CG1 3.39Å; L893-I897 PolarHBondContact O-N 2.88Å; L893-I897 VanDerWaalsContact O-N 3.09Å; I895-I897 VanDerWaalsContact C-N 3.3Å; I895-I897 PolarHBondContact O-N 3.06Å; I897-I900 WeakPolarHBondContact O-CG2 3.47Å
898A86.3Confident83.4Confident0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-69.1-43.7171.700000111.4G827 C829 K852 S894 I895 A896 I906 L908G827-A898 VanDerWaalsContact CA-O 3.23Å; G827-A898 WeakPolarHBondContact CA-O 3.42Å; C829-A898 HydrophobicContact CB-CB 4.07Å; K852-A898 PolarHBondContact NZ-O 3.29Å; S894-A898 PolarHBondContact O-N 2.81Å; I895-A898 WeakPolarHBondContact O-CB 3.23Å; I895-A898 PolarHBondContact O-N 2.81Å; A896-A898 VanDerWaalsContact C-N 3.28Å; A896-A898 PolarHBondContact O-N 2.98Å; A898-I906 HydrophobicContact CB-CG2 4.07Å; A898-L908 HydrophobicContact CB-CD2 3.91Å
899F85.1Confident83.6Confident2 Ų220.5 Ų20.51%0.00910%0.096CC..Hα-helixtrans-74.9-20-178.4-80.8-77000115.9I895 A896 I906 L926 L927 K930 R935 I937I895-F899 HydrophobicContact CG2-CD2 3.69Å; I895-F899 HydrophobicContact CG2-CE2 3.64Å; I895-F899 WeakPolarHBondContact O-CD2 3.31Å; I895-F899 PolarHBondContact O-N 2.85Å; I895-F899 VanDerWaalsContact O-N 3.1Å; A896-F899 PolarHBondContact O-N 2.99Å; A896-F899 VanDerWaalsContact O-N 3.14Å; F899-I906 HydrophobicContact CB-CD1 4.46Å; F899-I906 HydrophobicContact CD1-CD1 3.16Å; F899-I906 HydrophobicContact CE1-CD1 3.29Å; F899-I906 HydrophobicContact CE1-CG2 4.47Å; F899-I906 HydrophobicContact CE2-CG2 4.49Å; F899-I906 HydrophobicContact CG-CD1 3.88Å; F899-I906 HydrophobicContact CZ-CD1 4.12Å; F899-I906 HydrophobicContact CZ-CG2 4.3Å; F899-L926 HydrophobicContact CD2-CD2 4.19Å; F899-L926 HydrophobicContact CE2-CD2 3.72Å; F899-L926 HydrophobicContact CZ-CD2 4.37Å; F899-L927 HydrophobicContact CE2-CD2 3.81Å; F899-L927 HydrophobicContact CZ-CD2 3.82Å; F899-K930 HydrophobicContact CD1-CB 3.91Å; F899-K930 HydrophobicContact CD1-CD 4.16Å; F899-K930 HydrophobicContact CD1-CG 3.74Å; F899-K930 HydrophobicContact CE1-CB 3.29Å; F899-K930 HydrophobicContact CE1-CD 4.42Å; F899-K930 HydrophobicContact CE1-CG 3.59Å; F899-K930 HydrophobicContact CG-CG 4.32Å; F899-K930 HydrophobicContact CZ-CB 3.77Å; F899-K930 HydrophobicContact CZ-CG 4.02Å; F899-R935 PolarHBondContact O-NH1 2.97Å; F899-I937 HydrophobicContact CE1-CD1 4.2Å; F899-I937 HydrophobicContact CZ-CD1 4Å
900I82.6Confident83.3Confident0 Ų018.2 Ų18.20%09%0.085CC..SBendtrans-64.5144.1-174.2-156.4149.9000113.9L845 A849 K852 V865 I868 A896 I897L845-I900 HydrophobicContact CB-CD1 3.69Å; L845-I900 HydrophobicContact CD2-CD1 4.01Å; L845-I900 HydrophobicContact CG-CD1 4.41Å; L845-I900 VanDerWaalsContact O-CD1 3.23Å; L845-I900 WeakPolarHBondContact O-CD1 3.38Å; A849-I900 HydrophobicContact CB-CD1 3.98Å; A849-I900 HydrophobicContact CB-CG1 4.01Å; K852-I900 HydrophobicContact CD-CG2 4.22Å; K852-I900 WeakPolarHBondContact CD-O 3.47Å; K852-I900 PolarHBondContact NZ-O 3.23Å; V865-I900 HydrophobicContact CG2-CD1 3.81Å; I868-I900 VanDerWaalsContact CD1-CA 3.48Å; I868-I900 HydrophobicContact CD1-CB 3.86Å; I868-I900 HydrophobicContact CD1-CD1 4.32Å; I868-I900 HydrophobicContact CD1-CG1 3.85Å; A896-I900 PolarHBondContact O-N 2.95Å; I897-I900 WeakPolarHBondContact O-CG2 3.47Å
901G74Confident83.1Confident13 Ų1315.7 Ų15.713%0.1347%0.074CC..SBendtrans70.5-169.6-177.600000114.3D864 A903 R935D864-G901 PolarHBondContact OD2-N 3.47Å; G901-A903 PolarHBondContact O-N 2.96Å; G901-R935 PolarHBondContact O-NH1 3.32Å; G901-R935 PolarHBondContact O-NH2 3.41Å; G901-R935 VanDerWaalsContact O-NH2 3.17Å
902R71.1Confident82.8Confident151 Ų15115.9 Ų15.957%0.578%0.075SC*.SBendtrans-76.941.2-176.4-56.8-176.3-171.91421.8113.8D855 N904D855-R902 IonicContact OD1-NH1 3.05Å; D855-R902 IonicContact OD2-CZ 2.74Å; D855-R902 IonicContact OD2-NH1 2.74Å; D855-R902 PolarHBondContact OD2-NH1 3.35Å; D855-R902 IonicContact OD2-NH2 3.65Å; D855-R902 PolarHBondContact OD2-NH2 3.29Å; R902-N904 PolarHBondContact O-N 2.97Å; R902-N904 PolarHBondContact O-OD1 3.14Å
903A75.8Confident82Confident0 Ų016.7 Ų16.70%08%0.083CC..  trans-77.7100.3177.400000111F825 G901 I906 R935F825-A903 CarbonylContact O-C 3.58Å; G901-A903 PolarHBondContact O-N 2.96Å; A903-I906 HydrophobicContact CB-CD1 4.5Å; A903-I906 HydrophobicContact CB-CG1 4.22Å; A903-R935 WeakPolarHBondContact O-CD 3.42Å; A903-R935 PolarHBondContact O-NH1 3.23Å
904N77.5Confident80.9Confident66 Ų6622.7 Ų22.735%0.35312%0.115SC..SBendtrans-79.6-31.7179.1-69.410.2000112.8Y811 F825 R902 T936Y811-N904 HydrophobicContact CE2-CB 4.01Å; F825-N904 PolarHBondContact O-N 3.02Å; F825-N904 VanDerWaalsContact O-N 3.07Å; R902-N904 PolarHBondContact O-N 2.97Å; R902-N904 PolarHBondContact O-OD1 3.14Å; N904-T936 PolarHBondContact O-N 2.94Å
905V81.1Confident80.2Confident1 Ų122.9 Ų22.91%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-104.8132.4170.6-177.50000108.4I760 I810 Y811 F825 I826 G827 V907 T936I760-V905 HydrophobicContact CD1-CG1 3.73Å; I760-V905 HydrophobicContact CG1-CG1 4.39Å; I760-V905 HydrophobicContact CG1-CG2 4.42Å; I810-V905 HydrophobicContact CG2-CG2 3.82Å; Y811-V905 HydrophobicContact CD2-CG2 4.36Å; Y811-V905 HydrophobicContact CE2-CG2 3.7Å; F825-V905 PolarHBondContact O-N 2.9Å; I826-V905 CarbonylContact C-O 3.37Å; I826-V905 VanDerWaalsContact CA-O 3.29Å; I826-V905 WeakPolarHBondContact CA-O 3.28Å; I826-V905 HydrophobicContact CG1-CB 4.43Å; G827-V905 PolarHBondContact N-O 3.36Å; V905-V907 HydrophobicContact CG1-CG2 4.26Å; V905-T936 CarbonylContact C-O 3.38Å; V905-T936 WeakPolarHBondContact CA-O 3.24Å
906I85.8Confident79.4Confident0 Ų023.2 Ų23.20%012%0.118CC..EExtended strand (participates in β ladder)trans-131.7119.7179.4-63.9179.5000108.9G827 A898 F899 A903 L908 T936 I937 L938G827-I906 WeakPolarHBondContact O-CA 3.49Å; A898-I906 HydrophobicContact CB-CG2 4.07Å; F899-I906 HydrophobicContact CB-CD1 4.46Å; F899-I906 HydrophobicContact CD1-CD1 3.16Å; F899-I906 HydrophobicContact CE1-CD1 3.29Å; F899-I906 HydrophobicContact CE1-CG2 4.47Å; F899-I906 HydrophobicContact CE2-CG2 4.49Å; F899-I906 HydrophobicContact CG-CD1 3.88Å; F899-I906 HydrophobicContact CZ-CD1 4.12Å; F899-I906 HydrophobicContact CZ-CG2 4.3Å; A903-I906 HydrophobicContact CB-CD1 4.5Å; A903-I906 HydrophobicContact CB-CG1 4.22Å; I906-L908 HydrophobicContact CG2-CD2 3.79Å; I906-L908 HydrophobicContact CG2-CG 4.05Å; I906-T936 PolarHBondContact N-O 3.21Å; I906-I937 CarbonylContact O-C 3.55Å; I906-I937 WeakPolarHBondContact O-CA 3.47Å; I906-L938 PolarHBondContact O-N 3.33Å
907V83.6Confident78.5Confident12 Ų1223.5 Ų23.57%0.07312%0.12CC..EExtended strand (participates in β ladder)trans-107.7123.6-178.4-168.30000110.2C798 G827 Y828 C829 V905 L938C798-V907 VanDerWaalsContact SG-CG1 3.54Å; G827-V907 PolarHBondContact O-N 3.23Å; Y828-V907 CarbonylContact C-O 3.46Å; Y828-V907 WeakPolarHBondContact CA-O 3.35Å; Y828-V907 HydrophobicContact CD2-CB 4.36Å; Y828-V907 WeakPolarHBondContact CD2-O 3.43Å; C829-V907 PolarHBondContact N-O 3.07Å; V905-V907 HydrophobicContact CG1-CG2 4.26Å; V907-L938 CarbonylContact C-O 3.51Å; V907-L938 VanDerWaalsContact CA-O 3.27Å; V907-L938 WeakPolarHBondContact CA-O 3.4Å; V907-L938 HydrophobicContact CG1-CB 4.41Å; V907-L938 HydrophobicContact CG1-CD2 4.35Å; V907-L938 HydrophobicContact CG2-CB 4.3Å
908L86.5Confident77.7Confident0 Ų025 Ų250%013%0.127CC..EExtended strand (participates in β ladder)trans-122.4107.3-175.2-54.3176.1000110.3C829 A898 I906 E910 P911 L927 I937 L938 F939 S940C829-L908 HydrophobicContact CB-CD2 3.47Å; C829-L908 VanDerWaalsContact CB-CD2 3.47Å; A898-L908 HydrophobicContact CB-CD2 3.91Å; I906-L908 HydrophobicContact CG2-CD2 3.79Å; I906-L908 HydrophobicContact CG2-CG 4.05Å; L908-E910 PolarHBondContact O-N 3.1Å; L908-P911 HydrophobicContact CB-CB 4.17Å; L908-P911 HydrophobicContact CB-CG 4.25Å; L908-L927 HydrophobicContact CD1-CD1 4.16Å; L908-L927 HydrophobicContact CD1-CD2 3.33Å; L908-L927 HydrophobicContact CD1-CG 4.4Å; L908-I937 HydrophobicContact CD1-CG2 3.97Å; L908-L938 PolarHBondContact N-O 3.2Å; L908-F939 HydrophobicContact CB-CB 3.95Å; L908-F939 CarbonylContact O-C 3.45Å; L908-F939 WeakPolarHBondContact O-CA 3.19Å; L908-F939 VanDerWaalsContact O-CB 3.32Å; L908-F939 WeakPolarHBondContact O-CB 3.46Å; L908-S940 PolarHBondContact O-N 3.49Å
909D79.9Confident77.2Confident47 Ų4725.5 Ų25.525%0.25113%0.13SC..SBendtrans-85.7111.2-179.9-178.441.1000110.3Y828 C829 Q831 R891 S940Y828-D909 HydrophobicContact CE2-CB 4.15Å; C829-D909 WeakPolarHBondContact O-CB 3.23Å; C829-D909 PolarHBondContact O-N 3.04Å; Q831-D909 VanDerWaalsContact CA-O 3.31Å; Q831-D909 WeakPolarHBondContact CA-O 3.47Å; Q831-D909 VanDerWaalsContact CB-OD2 3.29Å; Q831-D909 WeakPolarHBondContact CB-OD2 3.43Å; Q831-D909 PolarHBondContact N-O 2.96Å; Q831-D909 PolarHBondContact N-OD2 3.25Å; R891-D909 PolarHBondContact NH2-O 3.32Å; D909-S940 VanDerWaalsContact CA-OG 3.24Å; D909-S940 WeakPolarHBondContact CA-OG 3.36Å; D909-S940 PolarHBondContact OD1-OG 3.39Å
910E78Confident76.8Confident6 Ų627.2 Ų27.23%0.02814%0.137CC..SBendtrans46.358.6-179.4-67.8-65.2143.700112.9Q831 R891 L908 T912 T913 S940 T941 H942Q831-E910 HydrophobicContact CB-CB 4.39Å; Q831-E910 HydrophobicContact CG-CB 4.09Å; R891-E910 PolarHBondContact NH2-O 3.34Å; L908-E910 PolarHBondContact O-N 3.1Å; E910-T912 PolarHBondContact O-N 3.07Å; E910-T913 HydrophobicContact CB-CG2 3.75Å; E910-T913 HydrophobicContact CG-CG2 4.27Å; E910-T913 PolarHBondContact O-N 3.33Å; E910-T913 PolarHBondContact O-OG1 2.95Å; E910-T913 VanDerWaalsContact OE2-CG2 3.32Å; E910-T913 WeakPolarHBondContact OE2-CG2 3.47Å; E910-S940 WeakPolarHBondContact CA-O 3.48Å; E910-S940 PolarHBondContact N-O 2.89Å; E910-S940 PolarHBondContact N-OG 3.26Å; E910-T941 WeakPolarHBondContact OE1-CA 3.42Å; E910-T941 PolarHBondContact OE1-N 3.38Å; E910-T941 WeakPolarHBondContact OE2-CA 3.48Å; E910-H942 IonicContact OE1-CD2 3.13Å; E910-H942 IonicContact OE1-CE1 3.75Å; E910-H942 IonicContact OE1-CG 2.7Å; E910-H942 PolarHBondContact OE1-N 2.99Å; E910-H942 IonicContact OE1-ND1 3.55Å; E910-H942 PolarHBondContact OE1-ND1 2.69Å; E910-H942 IonicContact OE1-NE2 3.47Å; E910-H942 IonicContact OE2-CD2 2.74Å; E910-H942 IonicContact OE2-CG 2.78Å; E910-H942 PolarHBondContact OE2-N 3.08Å
911P80.6Confident76.5Confident0 Ų028.6 Ų28.60%014%0.142CC..THydrogen-bonded Turntrans-59-18-164.420.5-30.5000115.3R891 I895 L908 F939 S940R891-P911 VanDerWaalsContact CG-O 3.22Å; R891-P911 WeakPolarHBondContact CG-O 3.22Å; R891-P911 PolarHBondContact NE-O 3.12Å; I895-P911 HydrophobicContact CD1-CB 4.49Å; L908-P911 HydrophobicContact CB-CB 4.17Å; L908-P911 HydrophobicContact CB-CG 4.25Å; P911-F939 HydrophobicContact CG-CB 4.45Å; P911-F939 HydrophobicContact CG-CD2 4.15Å; P911-S940 WeakPolarHBondContact CD-O 3.31Å
912T80.2Confident76.6Confident7 Ų732 Ų324%0.04315%0.153CC..THydrogen-bonded Turntrans-122.5-3.9-162.646.60000113.2E910 V915 R920 I923 E946E910-T912 PolarHBondContact O-N 3.07Å; T912-V915 VanDerWaalsContact O-CB 3.3Å; T912-V915 WeakPolarHBondContact O-CB 3.45Å; T912-V915 WeakPolarHBondContact O-CG2 3.36Å; T912-V915 PolarHBondContact O-N 3.02Å; T912-R920 HydrophobicContact CG2-CG 3.96Å; T912-I923 HydrophobicContact CG2-CG2 4.1Å; T912-E946 WeakPolarHBondContact CB-OE1 3.27Å; T912-E946 WeakPolarHBondContact CG2-OE1 3.42Å; T912-E946 PolarHBondContact OG1-OE1 3.25Å; T912-E946 PolarHBondContact OG1-OE2 3.19Å
913T70.4Confident77.1Confident42 Ų4224.9 Ų24.926%0.25813%0.126SC..THydrogen-bonded Turntrans-63.8137.8-179.6490000112.2E910 V915E910-T913 HydrophobicContact CB-CG2 3.75Å; E910-T913 HydrophobicContact CG-CG2 4.27Å; E910-T913 PolarHBondContact O-N 3.33Å; E910-T913 PolarHBondContact O-OG1 2.95Å; E910-T913 VanDerWaalsContact OE2-CG2 3.32Å; E910-T913 WeakPolarHBondContact OE2-CG2 3.47Å; T913-V915 PolarHBondContact O-N 3.05Å; T913-V915 VanDerWaalsContact O-N 3.15Å
914N65.6Low77.4Confident126 Ų12626.3 Ų26.367%0.67413%0.132SC*.THydrogen-bonded Turntrans57.120.6-174.6-52.9-32.6000114.8
915V74.3Confident77.4Confident5 Ų525 Ų253%0.0313%0.125CC..  trans-99.4133.9173.3-1720000110.2R891 T912 T913 R920 I923R891-V915 HydrophobicContact CB-CG2 4.26Å; R891-V915 HydrophobicContact CG-CG2 3.97Å; T912-V915 VanDerWaalsContact O-CB 3.3Å; T912-V915 WeakPolarHBondContact O-CB 3.45Å; T912-V915 WeakPolarHBondContact O-CG2 3.36Å; T912-V915 PolarHBondContact O-N 3.02Å; T913-V915 PolarHBondContact O-N 3.05Å; T913-V915 VanDerWaalsContact O-N 3.15Å; V915-R920 HydrophobicContact CG1-CB 4.37Å; V915-R920 PolarHBondContact O-NH2 2.99Å; V915-I923 HydrophobicContact CG1-CD1 4.23Å; V915-I923 HydrophobicContact CG2-CD1 4.28Å
916D71.4Confident77.4Confident9 Ų925.5 Ų25.55%0.04813%0.127CC..  trans-59.3150.2173.148.3-89.6000112Q918 S919 R920 N1390D916-Q918 PolarHBondContact O-N 2.71Å; D916-Q918 VanDerWaalsContact O-N 3.08Å; D916-S919 PolarHBondContact O-N 2.91Å; D916-S919 VanDerWaalsContact O-N 3.11Å; D916-S919 PolarHBondContact OD1-OG 3.5Å; D916-S919 WeakPolarHBondContact OD2-CB 3.37Å; D916-S919 PolarHBondContact OD2-N 3.08Å; D916-S919 PolarHBondContact OD2-OG 3.25Å; D916-R920 VanDerWaalsContact O-CB 3.31Å; D916-R920 WeakPolarHBondContact O-CB 3.49Å; D916-R920 PolarHBondContact O-N 2.75Å; D916-N1390 PolarHBondContact OD1-ND2 2.87Å
917P70.7Confident77.3Confident6 Ų625.5 Ų25.54%0.03913%0.128CC..Hα-helixtrans-55.5-32.8-174.8-27.534000115R921 M1544 D1655 F1658P917-R921 WeakPolarHBondContact O-CB 3.35Å; P917-R921 PolarHBondContact O-N 3.36Å; P917-M1544 HydrophobicContact CG-CE 3.76Å; P917-D1655 WeakPolarHBondContact CB-OD1 3.5Å; P917-D1655 VanDerWaalsContact CG-OD1 3.26Å; P917-D1655 WeakPolarHBondContact CG-OD1 3.39Å; P917-F1658 HydrophobicContact CB-CD1 4.22Å; P917-F1658 HydrophobicContact CB-CE1 4.35Å; P917-F1658 HydrophobicContact CG-CD1 4.16Å; P917-F1658 HydrophobicContact CG-CE1 4.15Å
918Q71.9Confident77Confident31 Ų3126.2 Ų26.215%0.14513%0.131CC..Hα-helixtrans-68.7-48.1178.5-166.7-1457.100111.5D916 R921 K922 E1666D916-Q918 PolarHBondContact O-N 2.71Å; D916-Q918 VanDerWaalsContact O-N 3.08Å; Q918-R921 PolarHBondContact O-N 3.32Å; Q918-K922 WeakPolarHBondContact O-CG 3.02Å; Q918-K922 PolarHBondContact O-N 3.49Å; Q918-K922 VanDerWaalsContact O-N 3.13Å; Q918-E1666 PolarHBondContact NE2-OE1 3.01Å; Q918-E1666 PolarHBondContact NE2-OE2 3.49Å
919S74.7Confident76.6Confident11 Ų1133.9 Ų33.98%0.07716%0.159CC..Hα-helixtrans-70.7-31.4175.5-60.20000112.2D916 K922 I923D916-S919 PolarHBondContact O-N 2.91Å; D916-S919 VanDerWaalsContact O-N 3.11Å; D916-S919 PolarHBondContact OD1-OG 3.5Å; D916-S919 WeakPolarHBondContact OD2-CB 3.37Å; D916-S919 PolarHBondContact OD2-N 3.08Å; D916-S919 PolarHBondContact OD2-OG 3.25Å; S919-K922 PolarHBondContact O-N 3.1Å; S919-I923 WeakPolarHBondContact O-CG1 3.44Å; S919-I923 PolarHBondContact O-N 3.44Å
920R77.6Confident76.5Confident39 Ų3932.8 Ų32.815%0.14715%0.153CC..Hα-helixtrans-60.1-48171.8-173.5-171.6-48.7141.610.4110.5T912 V915 D916 K922 I923 W924 E946 N1542 D1655T912-R920 HydrophobicContact CG2-CG 3.96Å; V915-R920 HydrophobicContact CG1-CB 4.37Å; V915-R920 PolarHBondContact O-NH2 2.99Å; D916-R920 VanDerWaalsContact O-CB 3.31Å; D916-R920 WeakPolarHBondContact O-CB 3.49Å; D916-R920 PolarHBondContact O-N 2.75Å; R920-K922 PolarHBondContact O-N 2.98Å; R920-I923 WeakPolarHBondContact O-CB 3.41Å; R920-I923 PolarHBondContact O-N 3.49Å; R920-I923 VanDerWaalsContact O-N 3.09Å; R920-W924 HydrophobicContact CG-CZ2 4Å; R920-W924 VanDerWaalsContact O-CD1 3.28Å; R920-W924 PolarHBondContact O-N 2.96Å; R920-E946 WeakPolarHBondContact CD-OE1 3.48Å; R920-N1542 PolarHBondContact NH2-O 3.09Å; R920-D1655 IonicContact NH1-OD2 3.82Å
921R75.3Confident76.2Confident28 Ų2835.5 Ų35.511%0.10616%0.163CC..Hα-helixtrans-61.6-42.9175.5-170.369.1-153-160.5-5112.3P917 Q918 I923 W924 D925 D1611P917-R921 WeakPolarHBondContact O-CB 3.35Å; P917-R921 PolarHBondContact O-N 3.36Å; Q918-R921 PolarHBondContact O-N 3.32Å; R921-I923 PolarHBondContact O-N 3.23Å; R921-W924 PolarHBondContact O-N 3.1Å; R921-W924 VanDerWaalsContact O-N 3.15Å; R921-D925 IonicContact CZ-OD1 2.88Å; R921-D925 VanDerWaalsContact CZ-OD1 3.31Å; R921-D925 IonicContact NE-OD1 2.64Å; R921-D925 PolarHBondContact NE-OD1 2.94Å; R921-D925 IonicContact NE-OD2 3.66Å; R921-D925 IonicContact NH2-OD1 3.8Å; R921-D925 PolarHBondContact NH2-OD1 3.41Å; R921-D925 PolarHBondContact O-N 2.91Å; R921-D1611 IonicContact CZ-OD2 2.68Å; R921-D1611 IonicContact NH1-OD2 3.67Å; R921-D1611 IonicContact NH2-OD1 3.09Å; R921-D1611 IonicContact NH2-OD2 3.55Å; R921-D1611 PolarHBondContact NH2-OD2 3.02Å
922K75.8Confident75.6Confident85 Ų8538.2 Ų38.237%0.3719%0.191SC..Hα-helixtrans-59.9-31.3174.3-69.5171.3-178.3174.60112.5Q918 S919 R920 L926 E1666Q918-K922 WeakPolarHBondContact O-CG 3.02Å; Q918-K922 PolarHBondContact O-N 3.49Å; Q918-K922 VanDerWaalsContact O-N 3.13Å; S919-K922 PolarHBondContact O-N 3.1Å; R920-K922 PolarHBondContact O-N 2.98Å; K922-L926 PolarHBondContact O-N 2.95Å; K922-E1666 IonicContact NZ-OE1 2.71Å
923I81.8Confident75.2Confident1 Ų142 Ų421%0.00521%0.214CC..Hα-helixtrans-72.1-48.8171.4-69.8166.1000111.2R891 R892 I895 T912 V915 S919 R920 R921 D925 L926 L927R891-I923 HydrophobicContact CB-CD1 4.43Å; R891-I923 HydrophobicContact CG-CD1 3.94Å; R892-I923 HydrophobicContact CG-CG1 4.05Å; I895-I923 HydrophobicContact CD1-CD1 3.94Å; I895-I923 HydrophobicContact CD1-CG1 3.95Å; I895-I923 HydrophobicContact CD1-CG2 3.76Å; T912-I923 HydrophobicContact CG2-CG2 4.1Å; V915-I923 HydrophobicContact CG1-CD1 4.23Å; V915-I923 HydrophobicContact CG2-CD1 4.28Å; S919-I923 WeakPolarHBondContact O-CG1 3.44Å; S919-I923 PolarHBondContact O-N 3.44Å; R920-I923 WeakPolarHBondContact O-CB 3.41Å; R920-I923 PolarHBondContact O-N 3.49Å; R920-I923 VanDerWaalsContact O-N 3.09Å; R921-I923 PolarHBondContact O-N 3.23Å; I923-D925 VanDerWaalsContact C-N 3.33Å; I923-D925 PolarHBondContact O-N 3.41Å; I923-L926 WeakPolarHBondContact O-CB 3.41Å; I923-L926 PolarHBondContact O-N 3.43Å; I923-L926 VanDerWaalsContact O-N 3.13Å; I923-L927 HydrophobicContact CG2-CD1 4.22Å; I923-L927 HydrophobicContact CG2-CG 4.41Å; I923-L927 WeakPolarHBondContact O-CG 3.24Å; I923-L927 PolarHBondContact O-N 2.87Å
924W82.2Confident75.3Confident30 Ų3042 Ų4211%0.11422%0.222CC..Hα-helixtrans-55.7-47.2177.8-65.51.2000112.1R920 R921 L926 L927 L928 E946 I949 L950R920-W924 HydrophobicContact CG-CZ2 4Å; R920-W924 VanDerWaalsContact O-CD1 3.28Å; R920-W924 PolarHBondContact O-N 2.96Å; R921-W924 PolarHBondContact O-N 3.1Å; R921-W924 VanDerWaalsContact O-N 3.15Å; W924-L926 VanDerWaalsContact C-N 3.26Å; W924-L926 PolarHBondContact O-N 3.05Å; W924-L927 PolarHBondContact O-N 3.39Å; W924-L928 WeakPolarHBondContact O-CG 3.41Å; W924-L928 PolarHBondContact O-N 2.82Å; W924-E946 HydrophobicContact CZ2-CG 3.48Å; W924-E946 VanDerWaalsContact CZ2-CG 3.48Å; W924-E946 PolarHBondContact NE1-OE1 2.9Å; W924-I949 HydrophobicContact CE3-CG2 4.1Å; W924-I949 HydrophobicContact CH2-CD1 3.93Å; W924-I949 HydrophobicContact CZ3-CD1 3.68Å; W924-I949 HydrophobicContact CZ3-CG2 4.28Å; W924-L950 HydrophobicContact CB-CD2 3.89Å; W924-L950 HydrophobicContact CG-CD1 4.34Å; W924-L950 HydrophobicContact CG-CD2 4.1Å
925D78.9Confident76Confident38 Ų3837.9 Ų37.920%0.20320%0.197CC..Hα-helixtrans-63.2-33.2-179.9-60.1-23.8000111.2R921 I923 R929R921-D925 IonicContact CZ-OD1 2.88Å; R921-D925 VanDerWaalsContact CZ-OD1 3.31Å; R921-D925 IonicContact NE-OD1 2.64Å; R921-D925 PolarHBondContact NE-OD1 2.94Å; R921-D925 IonicContact NE-OD2 3.66Å; R921-D925 IonicContact NH2-OD1 3.8Å; R921-D925 PolarHBondContact NH2-OD1 3.41Å; R921-D925 PolarHBondContact O-N 2.91Å; I923-D925 VanDerWaalsContact C-N 3.33Å; I923-D925 PolarHBondContact O-N 3.41Å; D925-R929 WeakPolarHBondContact O-CG 3.25Å; D925-R929 PolarHBondContact O-N 3.09Å; D925-R929 VanDerWaalsContact O-N 3.16Å
926L80.6Confident76.4Confident12 Ų1237.8 Ų37.86%0.06320%0.196CC..Hα-helixtrans-69.2-43173.4173.2150.9000112.6T872 I895 F899 K922 I923 W924 R929 K930T872-L926 HydrophobicContact CG2-CD1 3.62Å; I895-L926 HydrophobicContact CG2-CD2 3.83Å; F899-L926 HydrophobicContact CD2-CD2 4.19Å; F899-L926 HydrophobicContact CE2-CD2 3.72Å; F899-L926 HydrophobicContact CZ-CD2 4.37Å; K922-L926 PolarHBondContact O-N 2.95Å; I923-L926 WeakPolarHBondContact O-CB 3.41Å; I923-L926 PolarHBondContact O-N 3.43Å; I923-L926 VanDerWaalsContact O-N 3.13Å; W924-L926 VanDerWaalsContact C-N 3.26Å; W924-L926 PolarHBondContact O-N 3.05Å; L926-R929 PolarHBondContact O-N 3.15Å; L926-K930 PolarHBondContact O-N 2.96Å
927L83.5Confident77.2Confident1 Ų137.3 Ų37.31%0.00519%0.194CC..Hα-helixtrans-64-43.9178.6-63.4179.4000111.3F899 L908 I923 W924 R929 K930 R931 L950F899-L927 HydrophobicContact CE2-CD2 3.81Å; F899-L927 HydrophobicContact CZ-CD2 3.82Å; L908-L927 HydrophobicContact CD1-CD1 4.16Å; L908-L927 HydrophobicContact CD1-CD2 3.33Å; L908-L927 HydrophobicContact CD1-CG 4.4Å; I923-L927 HydrophobicContact CG2-CD1 4.22Å; I923-L927 HydrophobicContact CG2-CG 4.41Å; I923-L927 WeakPolarHBondContact O-CG 3.24Å; I923-L927 PolarHBondContact O-N 2.87Å; W924-L927 PolarHBondContact O-N 3.39Å; L927-R929 VanDerWaalsContact C-N 3.33Å; L927-R929 PolarHBondContact O-N 3.38Å; L927-K930 PolarHBondContact O-N 3.49Å; L927-R931 PolarHBondContact O-N 3.2Å; L927-L950 HydrophobicContact CD1-CD1 4.12Å
928L78.1Confident77.8Confident26 Ų2637.1 Ų37.114%0.13619%0.193CC..Hα-helixtrans-64.1-35.3177-68.8169.6000112.6I791 W924 L950I791-L928 HydrophobicContact CD1-CD2 4.45Å; W924-L928 WeakPolarHBondContact O-CG 3.41Å; W924-L928 PolarHBondContact O-N 2.82Å; L928-L950 HydrophobicContact CD1-CD2 4.25Å; L928-L950 HydrophobicContact CD2-CD2 4.26Å; L928-L950 HydrophobicContact CG-CD2 3.98Å
929R77.8Confident78.5Confident161 Ų16135.6 Ų35.661%0.60819%0.186SC*.Hα-helixtrans-66.6-51.1171.7-74.3170.2-169.2-166.44.5112D925 L926 L927 R931 G932D925-R929 WeakPolarHBondContact O-CG 3.25Å; D925-R929 PolarHBondContact O-N 3.09Å; D925-R929 VanDerWaalsContact O-N 3.16Å; L926-R929 PolarHBondContact O-N 3.15Å; L927-R929 VanDerWaalsContact C-N 3.33Å; L927-R929 PolarHBondContact O-N 3.38Å; R929-R931 VanDerWaalsContact C-N 3.33Å; R929-R931 PolarHBondContact O-N 2.8Å; R929-G932 PolarHBondContact O-N 2.91Å
930K76.4Confident78.9Confident25 Ų2535.3 Ų35.311%0.10918%0.184CC..Hα-helixtrans-67.1-30.8-175.7-71.9-60.6-156.1-166.80113D871 F899 L926 L927 G932 T933D871-K930 WeakPolarHBondContact OD2-CE 3.15Å; D871-K930 IonicContact OD2-NZ 3.5Å; D871-K930 PolarHBondContact OD2-NZ 2.91Å; F899-K930 HydrophobicContact CD1-CB 3.91Å; F899-K930 HydrophobicContact CD1-CD 4.16Å; F899-K930 HydrophobicContact CD1-CG 3.74Å; F899-K930 HydrophobicContact CE1-CB 3.29Å; F899-K930 HydrophobicContact CE1-CD 4.42Å; F899-K930 HydrophobicContact CE1-CG 3.59Å; F899-K930 HydrophobicContact CG-CG 4.32Å; F899-K930 HydrophobicContact CZ-CB 3.77Å; F899-K930 HydrophobicContact CZ-CG 4.02Å; L926-K930 PolarHBondContact O-N 2.96Å; L927-K930 PolarHBondContact O-N 3.49Å; K930-G932 PolarHBondContact O-N 2.88Å; K930-T933 WeakPolarHBondContact O-CB 3.44Å; K930-T933 PolarHBondContact O-N 3.23Å; K930-T933 PolarHBondContact O-OG1 3.32Å
931R72.7Confident78.9Confident63 Ų6334.5 Ų34.524%0.23818%0.183CC..Hα-helixtrans-50.9-41.7167178.6-157.9168.1155.91.3112.2I791 L927 R929 T933 G934 I937 D952I791-R931 HydrophobicContact CD1-CB 3.95Å; I791-R931 HydrophobicContact CD1-CG 4.2Å; I791-R931 HydrophobicContact CG1-CB 4.03Å; I791-R931 HydrophobicContact CG1-CG 3.87Å; L927-R931 PolarHBondContact O-N 3.2Å; R929-R931 VanDerWaalsContact C-N 3.33Å; R929-R931 PolarHBondContact O-N 2.8Å; R931-T933 PolarHBondContact O-N 3.13Å; R931-G934 PolarHBondContact O-N 2.75Å; R931-I937 HydrophobicContact CB-CD1 4.41Å; R931-D952 IonicContact CZ-OD1 2.65Å; R931-D952 IonicContact CZ-OD2 3.74Å; R931-D952 IonicContact NE-OD2 2.61Å; R931-D952 IonicContact NH1-OD1 3.76Å; R931-D952 PolarHBondContact NH1-OD1 3.36Å; R931-D952 IonicContact NH1-OD2 2.77Å; R931-D952 PolarHBondContact NH1-OD2 3.09Å; R931-D952 IonicContact NH2-OD1 2.73Å; R931-D952 PolarHBondContact NH2-OD1 3.43Å; R931-D952 IonicContact NH2-OD2 3.77Å; R931-D952 PolarHBondContact NH2-OD2 3.28Å
932G66.8Low78.7Confident57 Ų5739 Ų3959%0.58821%0.205SC*.THydrogen-bonded Turntrans-60.8-9.617800000115R929 K930R929-G932 PolarHBondContact O-N 2.91Å; K930-G932 PolarHBondContact O-N 2.88Å
933T71.9Confident78.5Confident87 Ų8736.8 Ų36.853%0.53420%0.2SC..THydrogen-bonded Turntrans-926.9173.269.70000113.9K930 R931K930-T933 WeakPolarHBondContact O-CB 3.44Å; K930-T933 PolarHBondContact O-N 3.23Å; K930-T933 PolarHBondContact O-OG1 3.32Å; R931-T933 PolarHBondContact O-N 3.13Å
934G73Confident78.1Confident42 Ų4238.6 Ų38.643%0.43321%0.208SC..THydrogen-bonded Turntrans81.916176.200000115.1R931R931-G934 PolarHBondContact O-N 2.75Å
935R79.8Confident77.6Confident39 Ų3941.5 Ų41.515%0.14723%0.226CC..  trans-88.5136.3178.4-61.2-179.7-178.1-14410.3111.2F899 G901 A903F899-R935 PolarHBondContact O-NH1 2.97Å; G901-R935 PolarHBondContact O-NH1 3.32Å; G901-R935 PolarHBondContact O-NH2 3.41Å; G901-R935 VanDerWaalsContact O-NH2 3.17Å; A903-R935 WeakPolarHBondContact O-CD 3.42Å; A903-R935 PolarHBondContact O-NH1 3.23Å
936T84.6Confident77.4Confident2 Ų239.9 Ų39.91%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-74121.1171.3-40.70000109.7D788 Y811 N904 V905 I906D788-T936 PolarHBondContact OD1-OG1 2.91Å; Y811-T936 PolarHBondContact OH-OG1 3.48Å; Y811-T936 VanDerWaalsContact OH-OG1 3.05Å; N904-T936 PolarHBondContact O-N 2.94Å; V905-T936 CarbonylContact C-O 3.38Å; V905-T936 WeakPolarHBondContact CA-O 3.24Å; I906-T936 PolarHBondContact N-O 3.21Å
937I86.6Confident77.2Confident0 Ų039.5 Ų39.50%022%0.216CC..EExtended strand (participates in β ladder)trans-114.1112.5179.5-56.6172000109.3Q790 I791 A792 F899 I906 L908 R931Q790-I937 PolarHBondContact O-N 3.15Å; I791-I937 CarbonylContact C-O 3.53Å; I791-I937 VanDerWaalsContact CA-O 3.27Å; I791-I937 WeakPolarHBondContact CA-O 3.44Å; I791-I937 HydrophobicContact CD1-CD1 4.4Å; I791-I937 HydrophobicContact CG1-CB 4.2Å; I791-I937 HydrophobicContact CG1-CD1 4.35Å; I791-I937 HydrophobicContact CG2-CB 4.31Å; I791-I937 HydrophobicContact CG2-CG2 4.4Å; A792-I937 PolarHBondContact N-O 3.09Å; F899-I937 HydrophobicContact CE1-CD1 4.2Å; F899-I937 HydrophobicContact CZ-CD1 4Å; I906-I937 CarbonylContact O-C 3.55Å; I906-I937 WeakPolarHBondContact O-CA 3.47Å; L908-I937 HydrophobicContact CD1-CG2 3.97Å; R931-I937 HydrophobicContact CB-CD1 4.41Å
938L84.8Confident76.7Confident1 Ų142.5 Ų42.51%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-96.5136.8170.3-161.572.2000109.1F786 A792 L794 V797 I906 V907 L908F786-L938 HydrophobicContact CD1-CD1 4.34Å; F786-L938 HydrophobicContact CD2-CD1 4.19Å; F786-L938 HydrophobicContact CE1-CD1 4.16Å; F786-L938 HydrophobicContact CE2-CD1 4Å; F786-L938 HydrophobicContact CG-CD1 4.34Å; F786-L938 HydrophobicContact CZ-CD1 3.98Å; A792-L938 HydrophobicContact CB-CD1 3.76Å; A792-L938 CarbonylContact O-C 3.55Å; A792-L938 WeakPolarHBondContact O-CA 3.25Å; L794-L938 HydrophobicContact CB-CD1 3.8Å; L794-L938 HydrophobicContact CB-CD2 4.31Å; L794-L938 HydrophobicContact CB-CG 4.2Å; V797-L938 HydrophobicContact CB-CD2 3.6Å; V797-L938 HydrophobicContact CG1-CD2 4.48Å; V797-L938 HydrophobicContact CG2-CD2 3.79Å; I906-L938 PolarHBondContact O-N 3.33Å; V907-L938 CarbonylContact C-O 3.51Å; V907-L938 VanDerWaalsContact CA-O 3.27Å; V907-L938 WeakPolarHBondContact CA-O 3.4Å; V907-L938 HydrophobicContact CG1-CB 4.41Å; V907-L938 HydrophobicContact CG1-CD2 4.35Å; V907-L938 HydrophobicContact CG2-CB 4.3Å; L908-L938 PolarHBondContact N-O 3.2Å
939F85.3Confident76.6Confident0 Ų043.6 Ų43.60%024%0.235CC..EExtended strand (participates in β ladder)trans-142.9155.4173.176-72.6000113.5I791 A792 C793 L794 L908 P911 T941 E946 L950I791-F939 HydrophobicContact CG2-CD1 3.75Å; I791-F939 HydrophobicContact CG2-CE1 3.6Å; A792-F939 WeakPolarHBondContact O-CD1 3.48Å; A792-F939 PolarHBondContact O-N 3.3Å; C793-F939 CarbonylContact C-O 3.59Å; C793-F939 VanDerWaalsContact CA-O 3.24Å; C793-F939 WeakPolarHBondContact CA-O 3.48Å; C793-F939 HydrophobicContact CB-CE1 4.18Å; C793-F939 HydrophobicContact CB-CZ 4.36Å; L794-F939 PolarHBondContact N-O 3.1Å; L908-F939 HydrophobicContact CB-CB 3.95Å; L908-F939 CarbonylContact O-C 3.45Å; L908-F939 WeakPolarHBondContact O-CA 3.19Å; L908-F939 VanDerWaalsContact O-CB 3.32Å; L908-F939 WeakPolarHBondContact O-CB 3.46Å; P911-F939 HydrophobicContact CG-CB 4.45Å; P911-F939 HydrophobicContact CG-CD2 4.15Å; F939-T941 HydrophobicContact CD2-CG2 4.14Å; F939-T941 HydrophobicContact CE2-CG2 3.49Å; F939-T941 VanDerWaalsContact CE2-CG2 3.49Å; F939-T941 HydrophobicContact CZ-CG2 4.26Å; F939-E946 HydrophobicContact CE2-CB 4.47Å; F939-L950 HydrophobicContact CE1-CB 4.07Å; F939-L950 HydrophobicContact CE2-CD1 4.07Å; F939-L950 HydrophobicContact CZ-CB 3.77Å; F939-L950 HydrophobicContact CZ-CD1 4.03Å
940S83.2Confident76.5Confident5 Ų536 Ų364%0.03521%0.207CC..  trans-99.7143.2164.263.20000109.3L908 D909 E910 P911L908-S940 PolarHBondContact O-N 3.49Å; D909-S940 VanDerWaalsContact CA-OG 3.24Å; D909-S940 WeakPolarHBondContact CA-OG 3.36Å; D909-S940 PolarHBondContact OD1-OG 3.39Å; E910-S940 WeakPolarHBondContact CA-O 3.48Å; E910-S940 PolarHBondContact N-O 2.89Å; E910-S940 PolarHBondContact N-OG 3.26Å; P911-S940 WeakPolarHBondContact CD-O 3.31Å
941T78.4Confident76.5Confident22 Ų2235 Ų3514%0.13520%0.203CC..  trans-149140.7167.2-176.80000110.4E910 F939 S943 E946 A947E910-T941 WeakPolarHBondContact OE1-CA 3.42Å; E910-T941 PolarHBondContact OE1-N 3.38Å; E910-T941 WeakPolarHBondContact OE2-CA 3.48Å; F939-T941 HydrophobicContact CD2-CG2 4.14Å; F939-T941 HydrophobicContact CE2-CG2 3.49Å; F939-T941 VanDerWaalsContact CE2-CG2 3.49Å; F939-T941 HydrophobicContact CZ-CG2 4.26Å; T941-S943 VanDerWaalsContact C-N 3.29Å; T941-S943 VanDerWaalsContact CG2-O 3.27Å; T941-S943 WeakPolarHBondContact CG2-O 3.47Å; T941-S943 PolarHBondContact OG1-N 3.2Å; T941-E946 HydrophobicContact CG2-CB 3.97Å; T941-E946 PolarHBondContact OG1-OE2 2.89Å; T941-A947 HydrophobicContact CG2-CB 4.11Å
942H71.6Confident76.8Confident121 Ų12133.6 Ų33.656%0.5620%0.2SC*.SBendtrans-82-4165.2-65.7-27.1000113.4E910E910-H942 IonicContact OE1-CD2 3.13Å; E910-H942 IonicContact OE1-CE1 3.75Å; E910-H942 IonicContact OE1-CG 2.7Å; E910-H942 PolarHBondContact OE1-N 2.99Å; E910-H942 IonicContact OE1-ND1 3.55Å; E910-H942 PolarHBondContact OE1-ND1 2.69Å; E910-H942 IonicContact OE1-NE2 3.47Å; E910-H942 IonicContact OE2-CD2 2.74Å; E910-H942 IonicContact OE2-CG 2.78Å; E910-H942 PolarHBondContact OE2-N 3.08Å
943S70.9Confident77.5Confident39 Ų3931 Ų3127%0.27317%0.173SC..  trans-99115.3177.4-179.70000111.3T941 D945 E946 A947T941-S943 VanDerWaalsContact C-N 3.29Å; T941-S943 VanDerWaalsContact CG2-O 3.27Å; T941-S943 WeakPolarHBondContact CG2-O 3.47Å; T941-S943 PolarHBondContact OG1-N 3.2Å; S943-D945 VanDerWaalsContact C-N 3.27Å; S943-D945 PolarHBondContact O-N 3.4Å; S943-E946 PolarHBondContact O-N 3.16Å; S943-E946 VanDerWaalsContact O-N 3.16Å; S943-E946 PolarHBondContact OG-N 3Å; S943-A947 PolarHBondContact O-N 3.22Å; S943-A947 VanDerWaalsContact O-N 3.16Å
944F73.6Confident78Confident39 Ų3927 Ų2717%0.17115%0.147CC..Hα-helixtrans-65.8-30.7176.6-67.5-81.2000112.5E946 A947 E948 L956 I1055 E1056 F1059F944-E946 VanDerWaalsContact C-N 3.33Å; F944-E946 PolarHBondContact O-N 3.38Å; F944-A947 PolarHBondContact O-N 3.19Å; F944-E948 WeakPolarHBondContact O-CB 3.35Å; F944-E948 PolarHBondContact O-N 3.35Å; F944-L956 HydrophobicContact CE1-CD2 4.25Å; F944-I1055 HydrophobicContact CD1-CB 3.84Å; F944-I1055 HydrophobicContact CD1-CG2 3.72Å; F944-I1055 HydrophobicContact CE1-CG2 4.1Å; F944-E1056 HydrophobicContact CB-CB 4.29Å; F944-E1056 HydrophobicContact CD1-CB 4.48Å; F944-E1056 HydrophobicContact CD2-CB 3.51Å; F944-E1056 HydrophobicContact CD2-CG 3.64Å; F944-E1056 HydrophobicContact CE2-CB 3.9Å; F944-E1056 HydrophobicContact CE2-CG 3.66Å; F944-E1056 HydrophobicContact CG-CB 3.83Å; F944-E1056 HydrophobicContact CG-CG 4.45Å; F944-E1056 HydrophobicContact CZ-CG 4.49Å; F944-F1059 HydrophobicContact CE1-CB 3.87Å; F944-F1059 HydrophobicContact CE1-CG 4.27Å; F944-F1059 HydrophobicContact CZ-CB 3.72Å; F944-F1059 AromaticContact CZ-CD1 3.89Å; F944-F1059 HydrophobicContact CZ-CD1 3.89Å; F944-F1059 AromaticContact CZ-CG 3.81Å; F944-F1059 HydrophobicContact CZ-CG 3.81Å
945D71.6Confident78.3Confident91 Ų9125.4 Ų25.449%0.48713%0.13SC..Hα-helixtrans-60.7-40.3171.1-86.531.7000111.9S943 E948 I949S943-D945 VanDerWaalsContact C-N 3.27Å; S943-D945 PolarHBondContact O-N 3.4Å; D945-E948 PolarHBondContact O-N 3.18Å; D945-I949 VanDerWaalsContact O-CB 3.25Å; D945-I949 WeakPolarHBondContact O-CB 3.45Å; D945-I949 WeakPolarHBondContact O-CD1 3.15Å; D945-I949 WeakPolarHBondContact O-CG1 3.18Å; D945-I949 PolarHBondContact O-N 2.64Å
946E73.7Confident78.2Confident4 Ų424.3 Ų24.32%0.01913%0.127CC..Hα-helixtrans-69.2-39.8176.4-69.5-171.6153.900112.2T912 R920 W924 F939 T941 S943 F944 E948 L950T912-E946 WeakPolarHBondContact CB-OE1 3.27Å; T912-E946 WeakPolarHBondContact CG2-OE1 3.42Å; T912-E946 PolarHBondContact OG1-OE1 3.25Å; T912-E946 PolarHBondContact OG1-OE2 3.19Å; R920-E946 WeakPolarHBondContact CD-OE1 3.48Å; W924-E946 HydrophobicContact CZ2-CG 3.48Å; W924-E946 VanDerWaalsContact CZ2-CG 3.48Å; W924-E946 PolarHBondContact NE1-OE1 2.9Å; F939-E946 HydrophobicContact CE2-CB 4.47Å; T941-E946 HydrophobicContact CG2-CB 3.97Å; T941-E946 PolarHBondContact OG1-OE2 2.89Å; S943-E946 PolarHBondContact O-N 3.16Å; S943-E946 VanDerWaalsContact O-N 3.16Å; S943-E946 PolarHBondContact OG-N 3Å; F944-E946 VanDerWaalsContact C-N 3.33Å; F944-E946 PolarHBondContact O-N 3.38Å; E946-E948 VanDerWaalsContact C-N 3.34Å; E946-E948 PolarHBondContact O-N 3.39Å; E946-L950 HydrophobicContact CB-CD1 4.43Å; E946-L950 VanDerWaalsContact O-CB 3.26Å; E946-L950 WeakPolarHBondContact O-CB 3.44Å; E946-L950 WeakPolarHBondContact O-CG 3.32Å; E946-L950 PolarHBondContact O-N 2.85Å
947A77.4Confident77.7Confident4 Ų425.9 Ų25.93%0.03314%0.135CC..Hα-helixtrans-60-44.1172.800000111.2T941 S943 F944 S951 V954T941-A947 HydrophobicContact CG2-CB 4.11Å; S943-A947 PolarHBondContact O-N 3.22Å; S943-A947 VanDerWaalsContact O-N 3.16Å; F944-A947 PolarHBondContact O-N 3.19Å; A947-S951 VanDerWaalsContact O-CB 3.31Å; A947-S951 WeakPolarHBondContact O-CB 3.24Å; A947-S951 PolarHBondContact O-N 2.81Å; A947-S951 VanDerWaalsContact O-N 3.12Å; A947-S951 PolarHBondContact O-OG 2.99Å; A947-V954 HydrophobicContact CB-CG2 4.12Å
948E73.6Confident76.9Confident65 Ų6526.3 Ų26.330%0.30414%0.138SC..Hα-helixtrans-73.6-33.5-179.5-173.5165.8154.400113.8F944 D945 E946 P968 K972 I1055F944-E948 WeakPolarHBondContact O-CB 3.35Å; F944-E948 PolarHBondContact O-N 3.35Å; D945-E948 PolarHBondContact O-N 3.18Å; E946-E948 VanDerWaalsContact C-N 3.34Å; E946-E948 PolarHBondContact O-N 3.39Å; E948-P968 HydrophobicContact CG-CB 4.37Å; E948-K972 IonicContact OE1-NZ 2.84Å; E948-K972 PolarHBondContact OE1-NZ 3.33Å; E948-K972 WeakPolarHBondContact OE2-CE 3.26Å; E948-K972 IonicContact OE2-NZ 3.71Å; E948-K972 PolarHBondContact OE2-NZ 2.98Å; E948-I1055 HydrophobicContact CB-CD1 4.3Å
949I74.2Confident76Confident48 Ų4832.3 Ų32.325%0.24617%0.166CC..Hα-helixtrans-81.9-36.8-179.2-70.1169.1000112.6W924 D945W924-I949 HydrophobicContact CE3-CG2 4.1Å; W924-I949 HydrophobicContact CH2-CD1 3.93Å; W924-I949 HydrophobicContact CZ3-CD1 3.68Å; W924-I949 HydrophobicContact CZ3-CG2 4.28Å; D945-I949 VanDerWaalsContact O-CB 3.25Å; D945-I949 WeakPolarHBondContact O-CB 3.45Å; D945-I949 WeakPolarHBondContact O-CD1 3.15Å; D945-I949 WeakPolarHBondContact O-CG1 3.18Å; D945-I949 PolarHBondContact O-N 2.64Å
950L77.4Confident75Confident3 Ų332.7 Ų32.72%0.01617%0.17CC..Hα-helixtrans-99.3-37.1-172.3-61.4172.9000113.9I791 W924 L927 L928 F939 E946I791-L950 WeakPolarHBondContact CB-O 3.38Å; I791-L950 WeakPolarHBondContact CD1-O 3.5Å; W924-L950 HydrophobicContact CB-CD2 3.89Å; W924-L950 HydrophobicContact CG-CD1 4.34Å; W924-L950 HydrophobicContact CG-CD2 4.1Å; L927-L950 HydrophobicContact CD1-CD1 4.12Å; L928-L950 HydrophobicContact CD1-CD2 4.25Å; L928-L950 HydrophobicContact CD2-CD2 4.26Å; L928-L950 HydrophobicContact CG-CD2 3.98Å; F939-L950 HydrophobicContact CE1-CB 4.07Å; F939-L950 HydrophobicContact CE2-CD1 4.07Å; F939-L950 HydrophobicContact CZ-CB 3.77Å; F939-L950 HydrophobicContact CZ-CD1 4.03Å; E946-L950 HydrophobicContact CB-CD1 4.43Å; E946-L950 VanDerWaalsContact O-CB 3.26Å; E946-L950 WeakPolarHBondContact O-CB 3.44Å; E946-L950 WeakPolarHBondContact O-CG 3.32Å; E946-L950 PolarHBondContact O-N 2.85Å
951S76.5Confident74.4Confident4 Ų436.8 Ų36.83%0.02819%0.189CC..  trans-88.6143.3-169.281.40000113.9A947 R953 V954A947-S951 VanDerWaalsContact O-CB 3.31Å; A947-S951 WeakPolarHBondContact O-CB 3.24Å; A947-S951 PolarHBondContact O-N 2.81Å; A947-S951 VanDerWaalsContact O-N 3.12Å; A947-S951 PolarHBondContact O-OG 2.99Å; S951-R953 WeakPolarHBondContact CB-O 3.43Å; S951-R953 PolarHBondContact OG-O 2.99Å; S951-V954 WeakPolarHBondContact OG-CG2 3.32Å
952D78.2Confident74.3Confident32 Ų3236.6 Ų36.617%0.17119%0.187CC..SBendtrans-82.7-28.5164.2-58.7-65.6000111.5Q790 I791 R931 S967Q790-D952 HydrophobicContact CB-CB 4.23Å; Q790-D952 HydrophobicContact CG-CB 4.33Å; I791-D952 PolarHBondContact N-OD2 3.05Å; I791-D952 PolarHBondContact O-N 3.01Å; R931-D952 IonicContact CZ-OD1 2.65Å; R931-D952 IonicContact CZ-OD2 3.74Å; R931-D952 IonicContact NE-OD2 2.61Å; R931-D952 IonicContact NH1-OD1 3.76Å; R931-D952 PolarHBondContact NH1-OD1 3.36Å; R931-D952 IonicContact NH1-OD2 2.77Å; R931-D952 PolarHBondContact NH1-OD2 3.09Å; R931-D952 IonicContact NH2-OD1 2.73Å; R931-D952 PolarHBondContact NH2-OD1 3.43Å; R931-D952 IonicContact NH2-OD2 3.77Å; R931-D952 PolarHBondContact NH2-OD2 3.28Å; D952-S967 WeakPolarHBondContact O-CA 3.49Å; D952-S967 VanDerWaalsContact O-CB 3.24Å; D952-S967 WeakPolarHBondContact O-CB 3.43Å
953R81.4Confident74.4Confident4 Ų434 Ų342%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-135.6132.6175-68.8173.973.890.5-15.4111.3E752 E785 I791 A792 C793 S951 G966E752-R953 PolarHBondContact O-NH1 3.3Å; E752-R953 PolarHBondContact O-NH2 2.94Å; E785-R953 PolarHBondContact O-NH2 3.43Å; I791-R953 PolarHBondContact O-N 3.44Å; A792-R953 CarbonylContact C-O 3.58Å; A792-R953 VanDerWaalsContact CA-O 3.28Å; A792-R953 WeakPolarHBondContact CA-O 3.37Å; A792-R953 HydrophobicContact CB-CB 4.43Å; C793-R953 PolarHBondContact N-O 3.4Å; S951-R953 WeakPolarHBondContact CB-O 3.43Å; S951-R953 PolarHBondContact OG-O 2.99Å; R953-G966 CarbonylContact C-O 3.58Å; R953-G966 WeakPolarHBondContact CA-O 3.38Å
954V81.4Confident74.7Confident1 Ų132.2 Ų32.21%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-105.6139.5170.1-179.60000109A947 S951 L956 C965 G966 P968 L971 I1055A947-V954 HydrophobicContact CB-CG2 4.12Å; S951-V954 WeakPolarHBondContact OG-CG2 3.32Å; V954-L956 HydrophobicContact CG1-CD2 3.81Å; V954-L956 HydrophobicContact CG1-CG 4.28Å; V954-C965 WeakPolarHBondContact O-CA 3.33Å; V954-C965 PolarHBondContact O-SG 3.38Å; V954-G966 PolarHBondContact N-O 2.92Å; V954-G966 PolarHBondContact O-N 2.88Å; V954-G966 VanDerWaalsContact O-N 3.09Å; V954-P968 HydrophobicContact CG2-CG 4.09Å; V954-L971 HydrophobicContact CB-CD1 3.94Å; V954-L971 HydrophobicContact CG1-CD1 4.38Å; V954-I1055 HydrophobicContact CG2-CD1 4.12Å
955A80.5Confident75Confident9 Ų930.4 Ų30.47%0.07415%0.153CC..EExtended strand (participates in β ladder)trans-121.6117.6167.900000109.7C793 L794 L962 C964 C965C793-A955 PolarHBondContact O-N 2.87Å; L794-A955 HydrophobicContact CD1-CB 3.65Å; A955-L962 HydrophobicContact CB-CD1 3.95Å; A955-C964 WeakPolarHBondContact CA-O 3.42Å; A955-C965 HydrophobicContact CB-CB 4.29Å
956L77.9Confident75.2Confident16 Ų1626 Ų268%0.08413%0.13CC..EExtended strand (participates in β ladder)trans-92.3124177.4-61.3-174.2000110.1F944 V954 K963 C964 I1055 I1058 F1059F944-L956 HydrophobicContact CE1-CD2 4.25Å; V954-L956 HydrophobicContact CG1-CD2 3.81Å; V954-L956 HydrophobicContact CG1-CG 4.28Å; L956-K963 PolarHBondContact O-N 3.39Å; L956-C964 PolarHBondContact N-O 3.42Å; L956-I1055 HydrophobicContact CD1-CG2 4.13Å; L956-I1055 HydrophobicContact CD2-CG2 4.17Å; L956-I1058 HydrophobicContact CD1-CG2 4.37Å; L956-F1059 HydrophobicContact CD1-CB 4.22Å; L956-F1059 HydrophobicContact CD1-CD2 4.46Å; L956-F1059 HydrophobicContact CD2-CD2 4.46Å
957I74.4Confident75.4Confident35 Ų3526.8 Ų26.818%0.17914%0.136CC..EExtended strand (participates in β ladder)trans-108.4135.3175.1-69.5175.9000109.7L779 L782 L794 Q961L779-I957 HydrophobicContact CD2-CD1 4.41Å; L782-I957 HydrophobicContact CD1-CD1 3.83Å; L782-I957 HydrophobicContact CD1-CG1 3.97Å; L782-I957 HydrophobicContact CD2-CD1 4.33Å; L794-I957 HydrophobicContact CD1-CD1 3.6Å; L794-I957 HydrophobicContact CD1-CG1 4.22Å; I957-Q961 VanDerWaalsContact CA-O 3.3Å; I957-Q961 WeakPolarHBondContact CA-O 3.47Å
958S68.4Low75.3Confident9 Ų926.8 Ų26.86%0.06314%0.136CC..EExtended strand (participates in β ladder)trans-136.8140.1170-175.80000109.8G960 Q961 T1063S958-G960 PolarHBondContact O-N 3.16Å; S958-Q961 PolarHBondContact N-O 2.98Å; S958-Q961 PolarHBondContact O-N 3.5Å; S958-Q961 VanDerWaalsContact O-O 3.13Å; S958-T1063 WeakPolarHBondContact OG-CG2 3.01Å
959H66.3Low75Confident127 Ų12725.5 Ų25.559%0.58813%0.134SC*.THydrogen-bonded Turntrans49.622.6-177.6-66.3-84.3000116.1
960G65.6Low75.1Confident8 Ų826.3 Ų26.38%0.08213%0.134CC..THydrogen-bonded Turntrans865.8-177.400000115A778 L779 N780 S958A778-G960 VanDerWaalsContact O-CA 3.23Å; A778-G960 WeakPolarHBondContact O-CA 3.38Å; L779-G960 CarbonylContact C-O 3.53Å; L779-G960 WeakPolarHBondContact CA-O 3.43Å; L779-G960 WeakPolarHBondContact CD2-O 3.49Å; N780-G960 PolarHBondContact N-O 3.47Å; S958-G960 PolarHBondContact O-N 3.16Å
961Q70.4Confident75Confident92 Ų9226.3 Ų26.343%0.4313%0.134SC..EExtended strand (participates in β ladder)trans-110.3151.8174.9-68.1177.9-5300110.7N780 I957 S958N780-Q961 HydrophobicContact CB-CG 4.1Å; N780-Q961 PolarHBondContact ND2-NE2 3.14Å; N780-Q961 WeakPolarHBondContact O-CG 3.11Å; I957-Q961 VanDerWaalsContact CA-O 3.3Å; I957-Q961 WeakPolarHBondContact CA-O 3.47Å; S958-Q961 PolarHBondContact N-O 2.98Å; S958-Q961 PolarHBondContact O-N 3.5Å; S958-Q961 VanDerWaalsContact O-O 3.13Å
962L74.9Confident74.8Confident18 Ų1827.2 Ų27.29%0.09414%0.137CC..EExtended strand (participates in β ladder)trans-70.6132.8167.4-172.772000108.8V749 L782 V784 A955 C965V749-L962 HydrophobicContact CB-CD2 4.35Å; V749-L962 HydrophobicContact CG1-CD2 3.89Å; V749-L962 HydrophobicContact CG1-CG 4.39Å; L782-L962 HydrophobicContact CD1-CB 3.8Å; V784-L962 HydrophobicContact CG2-CD1 3.93Å; V784-L962 HydrophobicContact CG2-CD2 3.91Å; V784-L962 HydrophobicContact CG2-CG 4.45Å; A955-L962 HydrophobicContact CB-CD1 3.95Å; L962-C965 HydrophobicContact CD1-CB 4.37Å; L962-C965 HydrophobicContact CD2-CB 4.25Å
963K75.3Confident74.2Confident65 Ų6528 Ų2828%0.28315%0.153SC..EExtended strand (participates in β ladder)trans-98.4-41.4171.7-72.8-63.8-157150.80112.1L956 E1062L956-K963 PolarHBondContact O-N 3.39Å; K963-E1062 HydrophobicContact CD-CB 4.4Å; K963-E1062 WeakPolarHBondContact CD-OE2 3.19Å; K963-E1062 WeakPolarHBondContact CE-O 3.35Å; K963-E1062 WeakPolarHBondContact CE-OE2 3.34Å; K963-E1062 HydrophobicContact CG-CB 4.3Å; K963-E1062 PolarHBondContact NZ-O 3.43Å; K963-E1062 IonicContact NZ-OE2 2.74Å; K963-E1062 PolarHBondContact NZ-OE2 3.39Å
964C76.3Confident73.7Confident3 Ų331.3 Ų31.32%0.0217%0.17CC..EExtended strand (participates in β ladder)trans-160.3155.6173.659.50000111.8A955 L956 L971 Y975A955-C964 WeakPolarHBondContact CA-O 3.42Å; L956-C964 PolarHBondContact N-O 3.42Å; C964-L971 HydrophobicContact CB-CD2 3.79Å; C964-Y975 HydrophobicContact CB-CE2 3.69Å; C964-Y975 WeakPolarHBondContact CB-OH 3.09Å
965C79Confident73Confident0 Ų035 Ų350%019%0.185CC..EExtended strand (participates in β ladder)trans-141.9138.7169.5-169.80000112.3V784 V954 A955 L962V784-C965 HydrophobicContact CG1-CB 4.49Å; V954-C965 WeakPolarHBondContact O-CA 3.33Å; V954-C965 PolarHBondContact O-SG 3.38Å; A955-C965 HydrophobicContact CB-CB 4.29Å; L962-C965 HydrophobicContact CD1-CB 4.37Å; L962-C965 HydrophobicContact CD2-CB 4.25Å
966G76.7Confident72.1Confident0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans164.3-176.7174.600000111.3R953 V954R953-G966 CarbonylContact C-O 3.58Å; R953-G966 WeakPolarHBondContact CA-O 3.38Å; V954-G966 PolarHBondContact N-O 2.92Å; V954-G966 PolarHBondContact O-N 2.88Å; V954-G966 VanDerWaalsContact O-N 3.09Å
967S77.2Confident71.2Confident20 Ų2040.8 Ų40.814%0.1422%0.217CC..  trans-63.4152.1173.960.30000112.1E752 D952 S969 Y970 L971E752-S967 PolarHBondContact OE1-OG 2.89Å; E752-S967 VanDerWaalsContact OE2-CB 3.27Å; E752-S967 WeakPolarHBondContact OE2-CB 3.36Å; E752-S967 PolarHBondContact OE2-N 3.12Å; E752-S967 PolarHBondContact OE2-OG 3.19Å; D952-S967 WeakPolarHBondContact O-CA 3.49Å; D952-S967 VanDerWaalsContact O-CB 3.24Å; D952-S967 WeakPolarHBondContact O-CB 3.43Å; S967-S969 PolarHBondContact O-N 3.49Å; S967-S969 VanDerWaalsContact O-N 3.11Å; S967-Y970 PolarHBondContact O-N 2.99Å; S967-Y970 VanDerWaalsContact O-N 3.09Å; S967-Y970 WeakPolarHBondContact OG-CB 3.37Å; S967-Y970 PolarHBondContact OG-N 2.99Å; S967-L971 WeakPolarHBondContact O-CG 3.48Å; S967-L971 PolarHBondContact O-N 2.7Å
968P74.9Confident70.8Confident4 Ų439.3 Ų39.33%0.02621%0.211CC..Hα-helixtrans-48.1-39.8174.6-31.536.6000113.4E948 V954 K972 I1055E948-P968 HydrophobicContact CG-CB 4.37Å; V954-P968 HydrophobicContact CG2-CG 4.09Å; P968-K972 VanDerWaalsContact O-CG 3.3Å; P968-K972 WeakPolarHBondContact O-CG 3.34Å; P968-K972 PolarHBondContact O-N 2.91Å; P968-I1055 HydrophobicContact CB-CD1 4.13Å
969S68.9Low70.9Confident37 Ų3740.8 Ų40.826%0.25922%0.215SC..Hα-helixtrans-74-38.7-179.6-59.80000113S967 G973 E1645S967-S969 PolarHBondContact O-N 3.49Å; S967-S969 VanDerWaalsContact O-N 3.11Å; S969-G973 PolarHBondContact O-N 2.93Å; S969-E1645 WeakPolarHBondContact CB-OE1 3.32Å; S969-E1645 PolarHBondContact OG-OE1 3.06Å
970Y75.2Confident71Confident66 Ų6634.9 Ų34.926%0.25919%0.188SC..Hα-helixtrans-62-46.5171.7174.9-96.2000111.6E752 S967 G973 I974E752-Y970 HydrophobicContact CB-CD1 4.01Å; E752-Y970 HydrophobicContact CB-CD2 4.01Å; E752-Y970 HydrophobicContact CB-CE1 3.92Å; E752-Y970 HydrophobicContact CB-CE2 3.93Å; E752-Y970 HydrophobicContact CB-CG 4.04Å; E752-Y970 HydrophobicContact CG-CD2 4.12Å; E752-Y970 HydrophobicContact CG-CE2 4.33Å; E752-Y970 HydrophobicContact CG-CG 4.35Å; S967-Y970 PolarHBondContact O-N 2.99Å; S967-Y970 VanDerWaalsContact O-N 3.09Å; S967-Y970 WeakPolarHBondContact OG-CB 3.37Å; S967-Y970 PolarHBondContact OG-N 2.99Å; Y970-G973 PolarHBondContact O-N 3.07Å; Y970-I974 HydrophobicContact CD1-CD1 3.9Å; Y970-I974 HydrophobicContact CD2-CD1 4.21Å; Y970-I974 HydrophobicContact CE1-CD1 3.43Å; Y970-I974 VanDerWaalsContact CE1-CD1 3.43Å; Y970-I974 HydrophobicContact CE2-CD1 3.77Å; Y970-I974 HydrophobicContact CG-CD1 4.28Å; Y970-I974 PolarHBondContact O-N 3.33Å
971L74.9Confident71.5Confident2 Ų234.6 Ų34.61%0.0118%0.184CC..Hα-helixtrans-65.1-42.5179.6-66.4179.1000112.5V954 C964 S967 I974 Y975V954-L971 HydrophobicContact CB-CD1 3.94Å; V954-L971 HydrophobicContact CG1-CD1 4.38Å; C964-L971 HydrophobicContact CB-CD2 3.79Å; S967-L971 WeakPolarHBondContact O-CG 3.48Å; S967-L971 PolarHBondContact O-N 2.7Å; L971-I974 PolarHBondContact O-N 3.35Å; L971-Y975 HydrophobicContact CD2-CD2 4.46Å; L971-Y975 HydrophobicContact CD2-CE2 4.19Å; L971-Y975 WeakPolarHBondContact O-CD2 3.47Å; L971-Y975 PolarHBondContact O-N 3.49Å
972K72.6Confident71.6Confident23 Ų2332.3 Ų32.310%0.118%0.175CC..Hα-helixtrans-61.6-43.5173.5-73.3179.2-174-162.10111.8E948 P968 I974 H976 C1053E948-K972 IonicContact OE1-NZ 2.84Å; E948-K972 PolarHBondContact OE1-NZ 3.33Å; E948-K972 WeakPolarHBondContact OE2-CE 3.26Å; E948-K972 IonicContact OE2-NZ 3.71Å; E948-K972 PolarHBondContact OE2-NZ 2.98Å; P968-K972 VanDerWaalsContact O-CG 3.3Å; P968-K972 WeakPolarHBondContact O-CG 3.34Å; P968-K972 PolarHBondContact O-N 2.91Å; K972-I974 VanDerWaalsContact C-N 3.32Å; K972-I974 PolarHBondContact O-N 2.85Å; K972-H976 CarbonylContact O-C 3.52Å; K972-H976 PolarHBondContact O-N 3.46Å; K972-H976 VanDerWaalsContact O-N 3.13Å; K972-C1053 WeakPolarHBondContact CD-O 3.37Å; K972-C1053 WeakPolarHBondContact CE-O 3.48Å; K972-C1053 PolarHBondContact NZ-O 3.27Å
973G66.3Low71.7Confident49 Ų4931.6 Ų31.651%0.50517%0.171SC..Hα-helixtrans-61.6-35178.300000114.2S969 Y970S969-G973 PolarHBondContact O-N 2.93Å; Y970-G973 PolarHBondContact O-N 3.07Å
974I70Confident71.4Confident73 Ų7331.3 Ų31.337%0.37417%0.171SC..Hα-helixtrans-80.5-55178.2-69.9173.8000112Y970 L971 K972Y970-I974 HydrophobicContact CD1-CD1 3.9Å; Y970-I974 HydrophobicContact CD2-CD1 4.21Å; Y970-I974 HydrophobicContact CE1-CD1 3.43Å; Y970-I974 VanDerWaalsContact CE1-CD1 3.43Å; Y970-I974 HydrophobicContact CE2-CD1 3.77Å; Y970-I974 HydrophobicContact CG-CD1 4.28Å; Y970-I974 PolarHBondContact O-N 3.33Å; L971-I974 PolarHBondContact O-N 3.35Å; K972-I974 VanDerWaalsContact C-N 3.32Å; K972-I974 PolarHBondContact O-N 2.85Å
975Y67.3Low71.3Confident79 Ų7932 Ų3231%0.3117%0.173SC..Hα-helixtrans-84.7-26.8-165.6-74.7-85.7000113.9C964 L971 I1058C964-Y975 HydrophobicContact CB-CE2 3.69Å; C964-Y975 WeakPolarHBondContact CB-OH 3.09Å; L971-Y975 HydrophobicContact CD2-CD2 4.46Å; L971-Y975 HydrophobicContact CD2-CE2 4.19Å; L971-Y975 WeakPolarHBondContact O-CD2 3.47Å; L971-Y975 PolarHBondContact O-N 3.49Å; Y975-I1058 HydrophobicContact CD1-CG2 4.11Å; Y975-I1058 HydrophobicContact CD2-CG2 4.25Å; Y975-I1058 HydrophobicContact CG-CG2 3.79Å
976H62.3Low70.6Confident61 Ų6134.4 Ų34.428%0.28219%0.193SC..  trans-158.680.9178.3-161.2-78.3000112.5K972 G978 C1053K972-H976 CarbonylContact O-C 3.52Å; K972-H976 PolarHBondContact O-N 3.46Å; K972-H976 VanDerWaalsContact O-N 3.13Å; H976-G978 PolarHBondContact O-N 3.38Å; H976-C1053 HydrophobicContact CB-CB 3.89Å
977P57.7Low70.1Confident85 Ų8537.3 Ų37.355%0.55221%0.209SC*.  trans-68.33.7-175.828.8-37000115G1023P977-G1023 WeakPolarHBondContact O-CA 3.47Å
978G66.8Low69.1Low5 Ų538.6 Ų38.65%0.05222%0.221CC..SBendtrans-97.1163.3-174.700000116.1H976 L1021H976-G978 PolarHBondContact O-N 3.38Å; G978-L1021 CarbonylContact C-O 3.59Å; G978-L1021 WeakPolarHBondContact CA-O 3.32Å
979Y70.3Confident68.2Low40 Ų4045.9 Ų45.916%0.15726%0.26CS..EExtended strand (participates in β ladder)trans-97144.2178.8-74.7-85.1000112.1L1021 L1026 L1029 L1050 E1052Y979-L1021 PolarHBondContact N-O 2.7Å; Y979-L1021 WeakPolarHBondContact O-CB 3.23Å; Y979-L1021 PolarHBondContact O-N 3.2Å; Y979-L1026 HydrophobicContact CE1-CD1 4.25Å; Y979-L1026 HydrophobicContact CE2-CD1 3.96Å; Y979-L1029 HydrophobicContact CD2-CD1 3.61Å; Y979-L1029 HydrophobicContact CE2-CD1 4.16Å; Y979-L1029 HydrophobicContact CG-CD1 4.01Å; Y979-L1050 HydrophobicContact CD1-CD2 3.97Å; Y979-L1050 HydrophobicContact CD1-CG 4.16Å; Y979-L1050 HydrophobicContact CG-CD2 4.35Å; Y979-E1052 HydrophobicContact CD1-CG 3.84Å; Y979-E1052 HydrophobicContact CE1-CG 3.34Å; Y979-E1052 PolarHBondContact OH-OE1 3.36Å
980N69.4Low67.5Low3 Ų350.7 Ų50.72%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-90.1119.9169.1-77.5-60.1000109.7Q1018 F1019 T1020 L1050 S1051 E1052 Q1057N980-Q1018 PolarHBondContact OD1-NE2 2.76Å; N980-F1019 CarbonylContact C-O 3.52Å; N980-F1019 WeakPolarHBondContact CA-O 3.39Å; N980-T1020 WeakPolarHBondContact OD1-CG2 3.23Å; N980-L1050 WeakPolarHBondContact O-CA 3.3Å; N980-S1051 WeakPolarHBondContact CB-OG 3.33Å; N980-S1051 PolarHBondContact N-O 3.49Å; N980-S1051 PolarHBondContact O-N 3.44Å; N980-E1052 PolarHBondContact ND2-O 3.09Å; N980-Q1057 PolarHBondContact ND2-OE1 3.09Å
981L75.4Confident66.7Low1 Ų148 Ų481%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-101.3120.2168.6170.570.3000109.3L983 V1000 Q1018 F1019 L1021 L1032 I1036 Y1048 L1050L981-L983 HydrophobicContact CD1-CD2 4.08Å; L981-L983 HydrophobicContact CD2-CD2 4.32Å; L981-L983 HydrophobicContact CG-CD2 4.16Å; L981-V1000 HydrophobicContact CD2-CG1 4.13Å; L981-V1000 HydrophobicContact CD2-CG2 4.01Å; L981-Q1018 CarbonylContact O-C 3.53Å; L981-Q1018 WeakPolarHBondContact O-CA 3.28Å; L981-F1019 HydrophobicContact CB-CB 4.37Å; L981-F1019 HydrophobicContact CD2-CD2 4.3Å; L981-F1019 PolarHBondContact N-O 2.88Å; L981-F1019 PolarHBondContact O-N 2.97Å; L981-L1021 HydrophobicContact CB-CD1 3.83Å; L981-L1021 HydrophobicContact CB-CG 4.25Å; L981-L1021 HydrophobicContact CD2-CD1 4.43Å; L981-L1032 HydrophobicContact CD2-CD2 4.29Å; L981-I1036 HydrophobicContact CD1-CD1 4.39Å; L981-I1036 HydrophobicContact CD2-CD1 3.72Å; L981-Y1048 HydrophobicContact CD1-CD2 4.48Å; L981-L1050 HydrophobicContact CB-CD1 4.31Å; L981-L1050 HydrophobicContact CD1-CD1 4.49Å
982I73.1Confident66.1Low45 Ų4551.4 Ų51.423%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-108.9122.5177.1-58.4166.8000108.5Q1018 Y1048 G1049I982-Q1018 HydrophobicContact CG1-CB 4.39Å; I982-Q1018 HydrophobicContact CG1-CG 4.03Å; I982-Y1048 CarbonylContact O-C 3.57Å; I982-Y1048 WeakPolarHBondContact O-CA 3.49Å; I982-G1049 PolarHBondContact N-O 2.66Å; I982-G1049 PolarHBondContact O-N 3.22Å
983L75.5Confident65.8Low3 Ų353 Ų532%0.01630%0.303CS..EExtended strand (participates in β ladder)trans-103128171.2-56.2-174.9000109.8L981 L996 V1000 E1016 L1017 F1019 I1036L981-L983 HydrophobicContact CD1-CD2 4.08Å; L981-L983 HydrophobicContact CD2-CD2 4.32Å; L981-L983 HydrophobicContact CG-CD2 4.16Å; L983-L996 HydrophobicContact CD1-CB 4.49Å; L983-L996 HydrophobicContact CD1-CD2 4.32Å; L983-V1000 HydrophobicContact CD1-CG2 4.24Å; L983-E1016 CarbonylContact O-C 3.59Å; L983-E1016 VanDerWaalsContact O-CA 3.27Å; L983-E1016 WeakPolarHBondContact O-CA 3.5Å; L983-L1017 PolarHBondContact N-O 3.42Å; L983-L1017 PolarHBondContact O-N 3.47Å; L983-F1019 HydrophobicContact CD1-CE2 3.86Å; L983-F1019 HydrophobicContact CG-CE2 4.24Å; L983-I1036 HydrophobicContact CD2-CD1 4.35Å; L983-I1036 HydrophobicContact CD2-CG2 4.08Å
984Q69.4Low66Low59 Ų5958.1 Ų58.128%0.27631%0.314SS..EExtended strand (participates in β ladder)trans-93.9122.9174.5-68.7-179.6-3.700110.1N1015 C1045 L1046 G1047Q984-N1015 CarbonylContact C-O 3.52Å; Q984-N1015 WeakPolarHBondContact CA-O 3.42Å; Q984-C1045 CarbonylContact O-C 3.39Å; Q984-C1045 WeakPolarHBondContact O-CA 3.48Å; Q984-C1045 VanDerWaalsContact O-CB 3.28Å; Q984-C1045 WeakPolarHBondContact O-CB 3.47Å; Q984-L1046 HydrophobicContact CB-CB 4.09Å; Q984-L1046 PolarHBondContact O-N 3.47Å; Q984-G1047 PolarHBondContact N-O 3.13Å
985K73.6Confident66Low16 Ų1662.3 Ų62.37%0.0733%0.329CS..EExtended strand (participates in β ladder)trans-75.3140.8174.6-62.2164172.11750110A991 L996 S1013 T1014 N1015K985-A991 HydrophobicContact CB-CB 4.03Å; K985-A991 HydrophobicContact CD-CB 4.27Å; K985-A991 HydrophobicContact CG-CB 3.83Å; K985-L996 HydrophobicContact CG-CD1 4.44Å; K985-S1013 PolarHBondContact NZ-O 3.06Å; K985-T1014 WeakPolarHBondContact CD-O 3.44Å; K985-T1014 PolarHBondContact NZ-O 2.91Å; K985-N1015 PolarHBondContact N-O 2.83Å
986A65.9Low66.3Low51 Ų5158.7 Ų58.742%0.42132%0.316SS..SBendtrans-86.2-25.817800000113.9N1044 L1046A986-N1044 VanDerWaalsContact CB-O 3.29Å; A986-N1044 WeakPolarHBondContact CB-O 3.35Å; A986-N1044 PolarHBondContact N-O 2.81Å; A986-L1046 HydrophobicContact CB-CD2 4.24Å; A986-L1046 HydrophobicContact CB-CG 3.9Å
987D64.6Low66.8Low61 Ų6157.3 Ų57.333%0.32631%0.313SS..  trans-150.9112-176.9-164.5-16.7000109N989 K990 A991D987-N989 PolarHBondContact O-N 2.84Å; D987-N989 VanDerWaalsContact O-N 3.08Å; D987-K990 HydrophobicContact CB-CB 4.26Å; D987-K990 HydrophobicContact CB-CD 4.36Å; D987-K990 HydrophobicContact CB-CG 4.41Å; D987-K990 PolarHBondContact O-N 2.92Å; D987-K990 VanDerWaalsContact O-N 3.08Å; D987-K990 VanDerWaalsContact OD2-CD 3.27Å; D987-K990 WeakPolarHBondContact OD2-CD 3.39Å; D987-K990 VanDerWaalsContact OD2-CE 3.25Å; D987-K990 WeakPolarHBondContact OD2-CE 3.47Å; D987-K990 IonicContact OD2-NZ 3.63Å; D987-K990 PolarHBondContact OD2-NZ 3.17Å; D987-A991 PolarHBondContact O-N 2.87Å
988A56.3Low67.5Low47 Ų4754.6 Ų54.639%0.38830%0.3SS..THydrogen-bonded Turntrans-59-28.3-166.400000113.3
989N57.4Low67.9Low158 Ų15856.5 Ų56.585%0.84531%0.309SS*.THydrogen-bonded Turntrans-94.2-6.4-176.9-66.2-14.5000114.1D987D987-N989 PolarHBondContact O-N 2.84Å; D987-N989 VanDerWaalsContact O-N 3.08Å
990K54.3Low68.1Low137 Ų13754.7 Ų54.760%0.59630%0.302SS*.THydrogen-bonded Turntrans-113.6-19.6-176.4-62.3-177.5-174133.80114.7D987 S992D987-K990 HydrophobicContact CB-CB 4.26Å; D987-K990 HydrophobicContact CB-CD 4.36Å; D987-K990 HydrophobicContact CB-CG 4.41Å; D987-K990 PolarHBondContact O-N 2.92Å; D987-K990 VanDerWaalsContact O-N 3.08Å; D987-K990 VanDerWaalsContact OD2-CD 3.27Å; D987-K990 WeakPolarHBondContact OD2-CD 3.39Å; D987-K990 VanDerWaalsContact OD2-CE 3.25Å; D987-K990 WeakPolarHBondContact OD2-CE 3.47Å; D987-K990 IonicContact OD2-NZ 3.63Å; D987-K990 PolarHBondContact OD2-NZ 3.17Å; K990-S992 PolarHBondContact O-N 2.64Å
991A58.6Low68.3Low11 Ų1159.3 Ų59.39%0.09132%0.322CS..  trans-90.885.5-176.500000112.1K985 D987 T993K985-A991 HydrophobicContact CB-CB 4.03Å; K985-A991 HydrophobicContact CD-CB 4.27Å; K985-A991 HydrophobicContact CG-CB 3.83Å; D987-A991 PolarHBondContact O-N 2.87Å; A991-T993 PolarHBondContact O-N 3.14Å; A991-T993 VanDerWaalsContact O-N 3.16Å
992S60.8Low68.5Low72 Ų7265.9 Ų65.950%0.50336%0.357SS..  trans-56.3116.6176.4-52.60000111.6K990 E994 K995 L996K990-S992 PolarHBondContact O-N 2.64Å; S992-E994 PolarHBondContact O-N 2.75Å; S992-K995 PolarHBondContact O-N 2.89Å; S992-L996 PolarHBondContact O-N 3.08Å
993T67.4Low68.6Low58 Ų5868.6 Ų68.636%0.35637%0.365SS..Hα-helixtrans-55.3-35.8180470000112.8A991 L996 S997 V1012 L1017A991-T993 PolarHBondContact O-N 3.14Å; A991-T993 VanDerWaalsContact O-N 3.16Å; T993-L996 PolarHBondContact O-N 3.02Å; T993-S997 WeakPolarHBondContact O-CB 3.34Å; T993-S997 PolarHBondContact O-N 3.42Å; T993-V1012 HydrophobicContact CG2-CG1 3.87Å; T993-L1017 HydrophobicContact CG2-CD1 3.83Å
994E70Confident68.5Low156 Ų15670 Ų7073%0.72937%0.372SS*.Hα-helixtrans-63.9-46-180-63.6175.1165.800112.4S992 L996 S997 G998S992-E994 PolarHBondContact O-N 2.75Å; E994-L996 VanDerWaalsContact C-N 3.35Å; E994-L996 PolarHBondContact O-N 2.74Å; E994-S997 PolarHBondContact O-N 2.68Å; E994-S997 PolarHBondContact O-OG 3.38Å; E994-G998 PolarHBondContact O-N 3.23Å
995K70.7Confident68.4Low160 Ų16071.5 Ų71.570%0.69639%0.389SS*.Hα-helixtrans-59.3-45175.8-84-170.2172.5-1750111.8S992 S997 G998 I999S992-K995 PolarHBondContact O-N 2.89Å; K995-S997 VanDerWaalsContact C-N 3.33Å; K995-S997 PolarHBondContact O-N 2.81Å; K995-G998 PolarHBondContact O-N 2.89Å; K995-I999 PolarHBondContact O-N 3.03Å
996L72.2Confident68.3Low4 Ų474.8 Ų74.82%0.02141%0.408CS..Hα-helixtrans-63-41.1177.2-64174.5000111.2L983 K985 S992 T993 E994 V1000 L1017 L1043L983-L996 HydrophobicContact CD1-CB 4.49Å; L983-L996 HydrophobicContact CD1-CD2 4.32Å; K985-L996 HydrophobicContact CG-CD1 4.44Å; S992-L996 PolarHBondContact O-N 3.08Å; T993-L996 PolarHBondContact O-N 3.02Å; E994-L996 VanDerWaalsContact C-N 3.35Å; E994-L996 PolarHBondContact O-N 2.74Å; L996-V1000 PolarHBondContact O-N 3.39Å; L996-L1017 HydrophobicContact CB-CD1 4.05Å; L996-L1017 HydrophobicContact CD1-CD1 3.81Å; L996-L1043 HydrophobicContact CD2-CB 4.04Å; L996-L1043 HydrophobicContact CD2-CD2 4.14Å
997S72.8Confident68.6Low31 Ų3172.4 Ų72.422%0.21739%0.388CS..Hα-helixtrans-68.6-36.6178.7780000113.6T993 E994 K995 K1001T993-S997 WeakPolarHBondContact O-CB 3.34Å; T993-S997 PolarHBondContact O-N 3.42Å; E994-S997 PolarHBondContact O-N 2.68Å; E994-S997 PolarHBondContact O-OG 3.38Å; K995-S997 VanDerWaalsContact C-N 3.33Å; K995-S997 PolarHBondContact O-N 2.81Å; S997-K1001 WeakPolarHBondContact O-CB 3.5Å; S997-K1001 VanDerWaalsContact O-CG 3.3Å; S997-K1001 WeakPolarHBondContact O-CG 3.37Å; S997-K1001 PolarHBondContact O-N 3.28Å; S997-K1001 VanDerWaalsContact O-N 3.13Å
998G73.9Confident68.8Low28 Ų2875.2 Ų75.229%0.28940%0.402SS..Hα-helixtrans-63.9-44.6175.800000112.1E994 K995 K1001 N1002E994-G998 PolarHBondContact O-N 3.23Å; K995-G998 PolarHBondContact O-N 2.89Å; G998-K1001 PolarHBondContact O-N 3.11Å; G998-N1002 PolarHBondContact O-N 3.06Å; G998-N1002 PolarHBondContact O-OD1 3.47Å
999I74.1Confident69.6Low45 Ų4576.1 Ų76.123%0.23140%0.403CS..Hα-helixtrans-67.7-41.9-177.1-69.1171.5000111.8K995 K1001 N1002 Y1003 L1043K995-I999 PolarHBondContact O-N 3.03Å; I999-K1001 VanDerWaalsContact C-N 3.33Å; I999-K1001 PolarHBondContact O-N 2.87Å; I999-N1002 PolarHBondContact O-N 2.93Å; I999-Y1003 HydrophobicContact CG2-CE2 4.27Å; I999-Y1003 WeakPolarHBondContact O-CD2 3.41Å; I999-L1043 HydrophobicContact CD1-CD2 3.47Å; I999-L1043 VanDerWaalsContact CD1-CD2 3.47Å
1000V75Confident69.8Low2 Ų271 Ų711%0.01238%0.382CS..Hα-helixtrans-64.7-39.4174.8178.70000111.1L981 L983 L996 N1002 Y1003 I1004 A1007 F1019 L1021 L1032 I1036L981-V1000 HydrophobicContact CD2-CG1 4.13Å; L981-V1000 HydrophobicContact CD2-CG2 4.01Å; L983-V1000 HydrophobicContact CD1-CG2 4.24Å; L996-V1000 PolarHBondContact O-N 3.39Å; V1000-N1002 VanDerWaalsContact C-N 3.33Å; V1000-N1002 PolarHBondContact O-N 3.39Å; V1000-Y1003 PolarHBondContact O-N 3.05Å; V1000-I1004 PolarHBondContact O-N 2.92Å; V1000-A1007 HydrophobicContact CG1-CB 3.81Å; V1000-F1019 HydrophobicContact CB-CD1 4.07Å; V1000-F1019 HydrophobicContact CB-CE1 3.74Å; V1000-F1019 HydrophobicContact CB-CE2 4.26Å; V1000-F1019 HydrophobicContact CB-CG 4.46Å; V1000-F1019 HydrophobicContact CB-CZ 3.84Å; V1000-F1019 HydrophobicContact CG1-CB 4.45Å; V1000-F1019 HydrophobicContact CG1-CD1 3.77Å; V1000-F1019 HydrophobicContact CG1-CD2 4.34Å; V1000-F1019 HydrophobicContact CG1-CE1 3.99Å; V1000-F1019 HydrophobicContact CG1-CG 3.95Å; V1000-F1019 HydrophobicContact CG1-CZ 4.37Å; V1000-F1019 HydrophobicContact CG2-CD1 4.48Å; V1000-F1019 HydrophobicContact CG2-CD2 4.11Å; V1000-F1019 HydrophobicContact CG2-CE1 4.06Å; V1000-F1019 HydrophobicContact CG2-CE2 3.67Å; V1000-F1019 HydrophobicContact CG2-CZ 3.63Å; V1000-L1021 HydrophobicContact CG1-CD2 4.06Å; V1000-L1032 HydrophobicContact CG1-CD1 4.36Å; V1000-I1036 HydrophobicContact CG2-CD1 4.43Å
1001K74.2Confident70Confident101 Ų10171.1 Ų71.144%0.43938%0.379SS..Hα-helixtrans-67.8-27.1176.3-74.9-179.1175.3-171.70114.5S997 G998 I999 Y1003 I1004 S1005 A1007S997-K1001 WeakPolarHBondContact O-CB 3.5Å; S997-K1001 VanDerWaalsContact O-CG 3.3Å; S997-K1001 WeakPolarHBondContact O-CG 3.37Å; S997-K1001 PolarHBondContact O-N 3.28Å; S997-K1001 VanDerWaalsContact O-N 3.13Å; G998-K1001 PolarHBondContact O-N 3.11Å; I999-K1001 VanDerWaalsContact C-N 3.33Å; I999-K1001 PolarHBondContact O-N 2.87Å; K1001-Y1003 VanDerWaalsContact C-N 3.3Å; K1001-Y1003 PolarHBondContact O-N 3.36Å; K1001-I1004 WeakPolarHBondContact CA-O 3.41Å; K1001-I1004 CarbonylContact O-C 3.54Å; K1001-S1005 WeakPolarHBondContact O-CA 3.27Å; K1001-S1005 PolarHBondContact O-N 2.92Å; K1001-A1007 WeakPolarHBondContact CE-O 3.5Å
1002N78.5Confident70.4Confident139 Ų13974.6 Ų74.674%0.74340%0.399SS*.Hα-helixtrans-67.1-30.9174.1-71.5-11.7000112.7G998 I999 V1000G998-N1002 PolarHBondContact O-N 3.06Å; G998-N1002 PolarHBondContact O-OD1 3.47Å; I999-N1002 PolarHBondContact O-N 2.93Å; V1000-N1002 VanDerWaalsContact C-N 3.33Å; V1000-N1002 PolarHBondContact O-N 3.39Å
1003Y75Confident70.2Confident102 Ų10272.6 Ų72.640%0.439%0.385SS..Hα-helixtrans-88.7-36.3175.3-74.1-76.2000112.5I999 V1000 K1001 L1032I999-Y1003 HydrophobicContact CG2-CE2 4.27Å; I999-Y1003 WeakPolarHBondContact O-CD2 3.41Å; V1000-Y1003 PolarHBondContact O-N 3.05Å; K1001-Y1003 VanDerWaalsContact C-N 3.3Å; K1001-Y1003 PolarHBondContact O-N 3.36Å; Y1003-L1032 HydrophobicContact CD2-CD1 3.92Å; Y1003-L1032 HydrophobicContact CG-CB 4.38Å; Y1003-L1032 HydrophobicContact CG-CD1 3.94Å
1004I73.2Confident69.9Low31 Ų3174.7 Ų74.716%0.15940%0.398CS..  trans-138.2100.5177.9-58.8-174.6000109.1V1000 K1001 D1006 A1007 L1021 P1022 L1029 L1032V1000-I1004 PolarHBondContact O-N 2.92Å; K1001-I1004 WeakPolarHBondContact CA-O 3.41Å; K1001-I1004 CarbonylContact O-C 3.54Å; I1004-D1006 HydrophobicContact CG2-CB 4.47Å; I1004-D1006 PolarHBondContact O-N 3.07Å; I1004-D1006 VanDerWaalsContact O-N 3.13Å; I1004-A1007 HydrophobicContact CB-CB 4.34Å; I1004-A1007 HydrophobicContact CG2-CB 4.31Å; I1004-A1007 WeakPolarHBondContact O-CB 3.46Å; I1004-A1007 PolarHBondContact O-N 2.91Å; I1004-A1007 VanDerWaalsContact O-N 3.1Å; I1004-L1021 HydrophobicContact CD1-CD1 4.35Å; I1004-L1021 HydrophobicContact CD1-CD2 4.43Å; I1004-P1022 HydrophobicContact CG2-CG 4.41Å; I1004-L1029 HydrophobicContact CD1-CD2 3.72Å; I1004-L1032 HydrophobicContact CD1-CD2 3.91Å
1005S68.7Low69.6Low92 Ų9271.7 Ų71.764%0.64339%0.387SS*.THydrogen-bonded Turntrans-50.4-39.3179.949.40000113.5K1001 A1007K1001-S1005 WeakPolarHBondContact O-CA 3.27Å; K1001-S1005 PolarHBondContact O-N 2.92Å; S1005-A1007 PolarHBondContact O-N 2.95Å
1006D71.5Confident69.6Low85 Ų8567.5 Ų67.546%0.45537%0.369SS..THydrogen-bonded Turntrans-84.46.6-171.2-56.51.2000112.2I1004 L1008 P1022 K1024I1004-D1006 HydrophobicContact CG2-CB 4.47Å; I1004-D1006 PolarHBondContact O-N 3.07Å; I1004-D1006 VanDerWaalsContact O-N 3.13Å; D1006-L1008 PolarHBondContact O-N 2.82Å; D1006-P1022 HydrophobicContact CB-CG 3.71Å; D1006-K1024 IonicContact OD2-NZ 3.48Å
1007A71.1Confident69.7Low1 Ų167.4 Ų67.41%0.00837%0.369CS..  trans-70.4113.3179.800000111.8V1000 K1001 I1004 S1005 F1019 L1021V1000-A1007 HydrophobicContact CG1-CB 3.81Å; K1001-A1007 WeakPolarHBondContact CE-O 3.5Å; I1004-A1007 HydrophobicContact CB-CB 4.34Å; I1004-A1007 HydrophobicContact CG2-CB 4.31Å; I1004-A1007 WeakPolarHBondContact O-CB 3.46Å; I1004-A1007 PolarHBondContact O-N 2.91Å; I1004-A1007 VanDerWaalsContact O-N 3.1Å; S1005-A1007 PolarHBondContact O-N 2.95Å; A1007-F1019 HydrophobicContact CB-CD1 4.46Å; A1007-L1021 HydrophobicContact CB-CD2 3.58Å
1008L70.2Confident69.7Low120 Ų12067.3 Ų67.363%0.62837%0.365SS*.EExtended strand (participates in β ladder)trans-89.2143.4176.7-66.7172.2000110.2D1006 F1019 T1020D1006-L1008 PolarHBondContact O-N 2.82Å; L1008-F1019 CarbonylContact O-C 3.59Å; L1008-F1019 WeakPolarHBondContact O-CA 3.2Å; L1008-T1020 PolarHBondContact N-O 2.82Å; L1008-T1020 PolarHBondContact O-N 2.86Å
1009V71.5Confident69.8Low65 Ų6566 Ų6639%0.39435%0.351SS..EExtended strand (participates in β ladder)trans-87.9110.9173.8179.50000108.3V1012 L1017 F1019V1009-V1012 HydrophobicContact CG1-CG2 3.66Å; V1009-L1017 HydrophobicContact CG1-CD2 3.86Å; V1009-F1019 HydrophobicContact CG2-CD1 3.88Å; V1009-F1019 HydrophobicContact CG2-CE1 3.69Å
1010A61.6Low69.7Low50 Ų5064.9 Ų64.941%0.41335%0.347SS..EExtended strand (participates in β ladder)trans-90.9-31.3-174.100000113.4Q1018 T1020A1010-Q1018 HydrophobicContact CB-CG 4.24Å; A1010-Q1018 PolarHBondContact N-O 3.23Å; A1010-T1020 HydrophobicContact CB-CG2 3.97Å
1011R59.8Low69.6Low141 Ų14164.9 Ų64.953%0.53235%0.347SS..EExtended strand (participates in β ladder)trans-152.8138.5178.1-161.9177.2179.7-178.3-2.5111Q1018R1011-Q1018 HydrophobicContact CB-CB 3.83Å; R1011-Q1018 PolarHBondContact N-O 2.83Å; R1011-Q1018 PolarHBondContact O-N 3Å
1012V65.9Low69.3Low84 Ų8462.6 Ų62.651%0.50934%0.343SS..EExtended strand (participates in β ladder)trans-120.2124.5169.4-175.40000107.9T993 V1009 L1017T993-V1012 HydrophobicContact CG2-CG1 3.87Å; V1009-V1012 HydrophobicContact CG1-CG2 3.66Å; V1012-L1017 HydrophobicContact CG2-CD2 4.38Å; V1012-L1017 HydrophobicContact CG2-CG 4.34Å
1013S58.1Low68.3Low30 Ų3057.8 Ų57.821%0.2133%0.325CS..  trans-115.2166.8177.4172.80000108.8K985 N1015 E1016K985-S1013 PolarHBondContact NZ-O 3.06Å; S1013-N1015 PolarHBondContact O-N 3.41Å; S1013-N1015 PolarHBondContact OG-N 2.9Å; S1013-E1016 WeakPolarHBondContact CB-OE1 3.32Å; S1013-E1016 PolarHBondContact N-O 3.2Å; S1013-E1016 VanDerWaalsContact O-O 3.11Å; S1013-E1016 PolarHBondContact OG-OE1 2.85Å
1014T60.8Low67.3Low102 Ų10258.6 Ų58.663%0.62633%0.331SS*.SBendtrans-59.4-39.8170.745.20000110.7K985K985-T1014 WeakPolarHBondContact CD-O 3.44Å; K985-T1014 PolarHBondContact NZ-O 2.91Å
1015N64.1Low66.6Low93 Ų9361.4 Ų61.450%0.49735%0.35SS..SBendtrans-108.5-5.2-174.3-62.4-16.2000113.9Q984 K985 S1013Q984-N1015 CarbonylContact C-O 3.52Å; Q984-N1015 WeakPolarHBondContact CA-O 3.42Å; K985-N1015 PolarHBondContact N-O 2.83Å; S1013-N1015 PolarHBondContact O-N 3.41Å; S1013-N1015 PolarHBondContact OG-N 2.9Å
1016E70.3Confident66.2Low71 Ų7160.1 Ų60.133%0.33234%0.335SS..EExtended strand (participates in β ladder)trans-141.3161.1-172.4-41.9146.8-85.800112.4L983 S1013L983-E1016 CarbonylContact O-C 3.59Å; L983-E1016 VanDerWaalsContact O-CA 3.27Å; L983-E1016 WeakPolarHBondContact O-CA 3.5Å; S1013-E1016 WeakPolarHBondContact CB-OE1 3.32Å; S1013-E1016 PolarHBondContact N-O 3.2Å; S1013-E1016 VanDerWaalsContact O-O 3.11Å; S1013-E1016 PolarHBondContact OG-OE1 2.85Å
1017L73.7Confident65.7Low2 Ų261.1 Ų61.11%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-147.4115.1174.8-141.4162.5000109.5L983 T993 L996 V1009 V1012 F1019L983-L1017 PolarHBondContact N-O 3.42Å; L983-L1017 PolarHBondContact O-N 3.47Å; T993-L1017 HydrophobicContact CG2-CD1 3.83Å; L996-L1017 HydrophobicContact CB-CD1 4.05Å; L996-L1017 HydrophobicContact CD1-CD1 3.81Å; V1009-L1017 HydrophobicContact CG1-CD2 3.86Å; V1012-L1017 HydrophobicContact CG2-CD2 4.38Å; V1012-L1017 HydrophobicContact CG2-CG 4.34Å; L1017-F1019 HydrophobicContact CD2-CD2 4.32Å; L1017-F1019 HydrophobicContact CD2-CE1 4.39Å; L1017-F1019 HydrophobicContact CD2-CE2 3.64Å; L1017-F1019 HydrophobicContact CD2-CZ 3.69Å
1018Q73.7Confident65.4Low29 Ų2966.8 Ų66.814%0.13636%0.363CS..EExtended strand (participates in β ladder)trans-107.1131.4-174.2-175.6-178.5-7.100111N980 L981 I982 A1010 R1011N980-Q1018 PolarHBondContact OD1-NE2 2.76Å; L981-Q1018 CarbonylContact O-C 3.53Å; L981-Q1018 WeakPolarHBondContact O-CA 3.28Å; I982-Q1018 HydrophobicContact CG1-CB 4.39Å; I982-Q1018 HydrophobicContact CG1-CG 4.03Å; A1010-Q1018 HydrophobicContact CB-CG 4.24Å; A1010-Q1018 PolarHBondContact N-O 3.23Å; R1011-Q1018 HydrophobicContact CB-CB 3.83Å; R1011-Q1018 PolarHBondContact N-O 2.83Å; R1011-Q1018 PolarHBondContact O-N 3Å
1019F75.1Confident65.2Low0 Ų061.4 Ų61.40%034%0.335CS..EExtended strand (participates in β ladder)trans-114.4138.7173.3-59.1-100.4000110.6N980 L981 L983 V1000 A1007 L1008 V1009 L1017 L1021N980-F1019 CarbonylContact C-O 3.52Å; N980-F1019 WeakPolarHBondContact CA-O 3.39Å; L981-F1019 HydrophobicContact CB-CB 4.37Å; L981-F1019 HydrophobicContact CD2-CD2 4.3Å; L981-F1019 PolarHBondContact N-O 2.88Å; L981-F1019 PolarHBondContact O-N 2.97Å; L983-F1019 HydrophobicContact CD1-CE2 3.86Å; L983-F1019 HydrophobicContact CG-CE2 4.24Å; V1000-F1019 HydrophobicContact CB-CD1 4.07Å; V1000-F1019 HydrophobicContact CB-CE1 3.74Å; V1000-F1019 HydrophobicContact CB-CE2 4.26Å; V1000-F1019 HydrophobicContact CB-CG 4.46Å; V1000-F1019 HydrophobicContact CB-CZ 3.84Å; V1000-F1019 HydrophobicContact CG1-CB 4.45Å; V1000-F1019 HydrophobicContact CG1-CD1 3.77Å; V1000-F1019 HydrophobicContact CG1-CD2 4.34Å; V1000-F1019 HydrophobicContact CG1-CE1 3.99Å; V1000-F1019 HydrophobicContact CG1-CG 3.95Å; V1000-F1019 HydrophobicContact CG1-CZ 4.37Å; V1000-F1019 HydrophobicContact CG2-CD1 4.48Å; V1000-F1019 HydrophobicContact CG2-CD2 4.11Å; V1000-F1019 HydrophobicContact CG2-CE1 4.06Å; V1000-F1019 HydrophobicContact CG2-CE2 3.67Å; V1000-F1019 HydrophobicContact CG2-CZ 3.63Å; A1007-F1019 HydrophobicContact CB-CD1 4.46Å; L1008-F1019 CarbonylContact O-C 3.59Å; L1008-F1019 WeakPolarHBondContact O-CA 3.2Å; V1009-F1019 HydrophobicContact CG2-CD1 3.88Å; V1009-F1019 HydrophobicContact CG2-CE1 3.69Å; L1017-F1019 HydrophobicContact CD2-CD2 4.32Å; L1017-F1019 HydrophobicContact CD2-CE1 4.39Å; L1017-F1019 HydrophobicContact CD2-CE2 3.64Å; L1017-F1019 HydrophobicContact CD2-CZ 3.69Å; F1019-L1021 HydrophobicContact CB-CD2 4.08Å
1020T71.5Confident64.8Low23 Ų2362.7 Ų62.714%0.14134%0.337CS..EExtended strand (participates in β ladder)trans-92.9119.7161.933.10000109.1N980 L1008 A1010N980-T1020 WeakPolarHBondContact OD1-CG2 3.23Å; L1008-T1020 PolarHBondContact N-O 2.82Å; L1008-T1020 PolarHBondContact O-N 2.86Å; A1010-T1020 HydrophobicContact CB-CG2 3.97Å
1021L74.1Confident65.2Low1 Ų163.9 Ų63.91%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-102.8129.1179.2-51.3179.8000108.3G978 Y979 L981 V1000 I1004 A1007 F1019 L1029 L1032 L1050G978-L1021 CarbonylContact C-O 3.59Å; G978-L1021 WeakPolarHBondContact CA-O 3.32Å; Y979-L1021 PolarHBondContact N-O 2.7Å; Y979-L1021 WeakPolarHBondContact O-CB 3.23Å; Y979-L1021 PolarHBondContact O-N 3.2Å; L981-L1021 HydrophobicContact CB-CD1 3.83Å; L981-L1021 HydrophobicContact CB-CG 4.25Å; L981-L1021 HydrophobicContact CD2-CD1 4.43Å; V1000-L1021 HydrophobicContact CG1-CD2 4.06Å; I1004-L1021 HydrophobicContact CD1-CD1 4.35Å; I1004-L1021 HydrophobicContact CD1-CD2 4.43Å; A1007-L1021 HydrophobicContact CB-CD2 3.58Å; F1019-L1021 HydrophobicContact CB-CD2 4.08Å; L1021-L1029 HydrophobicContact CB-CD2 4.48Å; L1021-L1029 HydrophobicContact CD1-CD2 3.56Å; L1021-L1032 HydrophobicContact CD1-CD2 3.58Å; L1021-L1050 HydrophobicContact CD1-CD1 4.37Å
1022P66.1Low65.8Low54 Ų5457.2 Ų57.235%0.35132%0.315SS..PPolyproline II helixtrans-66.8153.8-174.828.1-37000113.3I1004 D1006 K1024I1004-P1022 HydrophobicContact CG2-CG 4.41Å; D1006-P1022 HydrophobicContact CB-CG 3.71Å; P1022-K1024 PolarHBondContact O-N 3.5Å
1023G57.8Low66Low37 Ų3754.4 Ų54.438%0.38130%0.297SS..SBendtrans-71.583.5-175.400000114.6P977P977-G1023 WeakPolarHBondContact O-CA 3.47Å
1024K55.3Low66.7Low119 Ų11958.2 Ų58.252%0.51731%0.314SS..  trans-125.4159.2164.1-65.8172.8-175.5160.40109.1D1006 P1022D1006-K1024 IonicContact OD2-NZ 3.48Å; P1022-K1024 PolarHBondContact O-N 3.5Å
1025V58.7Low67.1Low91 Ų9153.7 Ų53.755%0.55229%0.287SS*.  trans-47.3138.2-164.8-173.50000112.6E1027 Q1028V1025-E1027 HydrophobicContact CG1-CB 4.17Å; V1025-E1027 HydrophobicContact CG1-CG 4.11Å; V1025-E1027 PolarHBondContact O-N 3.43Å; V1025-Q1028 WeakPolarHBondContact O-CB 3.31Å; V1025-Q1028 PolarHBondContact O-N 3.12Å
1026L59.8Low67.4Low65 Ų6549.3 Ų49.334%0.3426%0.264SS..G310 helixtrans-49.9-28.4-177.8-160.989.2000113.9Y979 Q1028 L1029 I1636Y979-L1026 HydrophobicContact CE1-CD1 4.25Å; Y979-L1026 HydrophobicContact CE2-CD1 3.96Å; L1026-Q1028 PolarHBondContact O-N 3.11Å; L1026-L1029 HydrophobicContact CD1-CD1 4.12Å; L1026-L1029 WeakPolarHBondContact O-CB 3.45Å; L1026-L1029 PolarHBondContact O-N 2.99Å; L1026-I1636 HydrophobicContact CD2-CD1 4.08Å; L1026-I1636 HydrophobicContact CD2-CG1 3.79Å
1027E61.4Low67.3Low106 Ų10647.5 Ų47.550%0.49527%0.265SS..G310 helixtrans-61.4-26.6176-62.3173.6163.400112.5V1025 L1029 R1640V1025-E1027 HydrophobicContact CG1-CB 4.17Å; V1025-E1027 HydrophobicContact CG1-CG 4.11Å; V1025-E1027 PolarHBondContact O-N 3.43Å; E1027-L1029 VanDerWaalsContact C-N 3.35Å; E1027-R1640 IonicContact OE1-CZ 3.57Å; E1027-R1640 IonicContact OE1-NH2 2.69Å; E1027-R1640 PolarHBondContact OE1-NH2 2.79Å
1028Q64.1Low67.2Low120 Ų12052 Ų5256%0.56130%0.296SS*.G310 helixtrans-76.5-17.7172.4-61.6-172.5-10.100113.4V1025 L1026V1025-Q1028 WeakPolarHBondContact O-CB 3.31Å; V1025-Q1028 PolarHBondContact O-N 3.12Å; L1026-Q1028 PolarHBondContact O-N 3.11Å
1029L65.9Low67Low7 Ų753.2 Ų53.24%0.03730%0.302CS..THydrogen-bonded Turntrans-84.1-17174.7-65.7166.7000112.5Y979 I1004 L1021 L1026 E1027 L1032 I1033 L1050Y979-L1029 HydrophobicContact CD2-CD1 3.61Å; Y979-L1029 HydrophobicContact CE2-CD1 4.16Å; Y979-L1029 HydrophobicContact CG-CD1 4.01Å; I1004-L1029 HydrophobicContact CD1-CD2 3.72Å; L1021-L1029 HydrophobicContact CB-CD2 4.48Å; L1021-L1029 HydrophobicContact CD1-CD2 3.56Å; L1026-L1029 HydrophobicContact CD1-CD1 4.12Å; L1026-L1029 WeakPolarHBondContact O-CB 3.45Å; L1026-L1029 PolarHBondContact O-N 2.99Å; E1027-L1029 VanDerWaalsContact C-N 3.35Å; L1029-L1032 HydrophobicContact CD2-CD2 3.95Å; L1029-L1032 WeakPolarHBondContact O-CB 3.47Å; L1029-L1032 PolarHBondContact O-N 3.19Å; L1029-I1033 HydrophobicContact CB-CD1 4Å; L1029-I1033 VanDerWaalsContact O-CG1 3.3Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.25Å; L1029-I1033 PolarHBondContact O-N 3.14Å; L1029-L1050 HydrophobicContact CD1-CD2 4.26Å
1030Q62.6Low66.7Low92 Ų9255 Ų5543%0.4331%0.311SS..Hα-helixtrans-57.9-43.9-176.5-168.4175.612.100113.5I1033 I1034Q1030-I1033 PolarHBondContact O-N 3.33Å; Q1030-I1034 HydrophobicContact CG-CD1 3.87Å; Q1030-I1034 VanDerWaalsContact O-CG1 3.29Å; Q1030-I1034 WeakPolarHBondContact O-CG1 3.03Å; Q1030-I1034 PolarHBondContact O-N 2.84Å; Q1030-I1034 VanDerWaalsContact O-N 3.09Å
1031P70.7Confident66.4Low74 Ų7463.1 Ų63.148%0.48134%0.344SS..Hα-helixtrans-66-39.9177.1-20.434.1000113.1I1034 G1035P1031-I1034 PolarHBondContact O-N 3.26Å; P1031-G1035 PolarHBondContact O-N 3.46Å
1032L72.2Confident66.1Low2 Ų270.5 Ų70.51%0.0138%0.379CS..Hα-helixtrans-60.2-47.6176.5173.676.2000111.1L981 V1000 Y1003 I1004 L1021 L1029 G1035 I1036L981-L1032 HydrophobicContact CD2-CD2 4.29Å; V1000-L1032 HydrophobicContact CG1-CD1 4.36Å; Y1003-L1032 HydrophobicContact CD2-CD1 3.92Å; Y1003-L1032 HydrophobicContact CG-CB 4.38Å; Y1003-L1032 HydrophobicContact CG-CD1 3.94Å; I1004-L1032 HydrophobicContact CD1-CD2 3.91Å; L1021-L1032 HydrophobicContact CD1-CD2 3.58Å; L1029-L1032 HydrophobicContact CD2-CD2 3.95Å; L1029-L1032 WeakPolarHBondContact O-CB 3.47Å; L1029-L1032 PolarHBondContact O-N 3.19Å; L1032-G1035 PolarHBondContact O-N 2.72Å; L1032-I1036 HydrophobicContact CD1-CD1 3.68Å; L1032-I1036 HydrophobicContact CD1-CG1 4.38Å; L1032-I1036 HydrophobicContact CG-CD1 3.89Å; L1032-I1036 WeakPolarHBondContact O-CB 3.19Å; L1032-I1036 VanDerWaalsContact O-CG1 3.3Å; L1032-I1036 WeakPolarHBondContact O-CG1 3.29Å; L1032-I1036 PolarHBondContact O-N 2.78Å
1033I70.4Confident65.9Low25 Ų2568.9 Ų68.913%0.12837%0.367CS..Hα-helixtrans-66.3-41.8-178.1-68.9167.7000111.1L1029 Q1030 G1037 Y1048 L1050 I1632L1029-I1033 HydrophobicContact CB-CD1 4Å; L1029-I1033 VanDerWaalsContact O-CG1 3.3Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.25Å; L1029-I1033 PolarHBondContact O-N 3.14Å; Q1030-I1033 PolarHBondContact O-N 3.33Å; I1033-G1037 PolarHBondContact O-N 3.49Å; I1033-Y1048 HydrophobicContact CG2-CE2 4.02Å; I1033-Y1048 WeakPolarHBondContact CG2-OH 3.39Å; I1033-L1050 HydrophobicContact CD1-CD2 4.23Å; I1033-I1632 HydrophobicContact CG2-CD1 4.36Å
1034I71.6Confident66.3Low109 Ų10970.5 Ų70.556%0.55937%0.367SS*.Hα-helixtrans-67.5-44.2176.5-67.2169.3000110.9Q1030 P1031 G1037 S1038Q1030-I1034 HydrophobicContact CG-CD1 3.87Å; Q1030-I1034 VanDerWaalsContact O-CG1 3.29Å; Q1030-I1034 WeakPolarHBondContact O-CG1 3.03Å; Q1030-I1034 PolarHBondContact O-N 2.84Å; Q1030-I1034 VanDerWaalsContact O-N 3.09Å; P1031-I1034 PolarHBondContact O-N 3.26Å; I1034-G1037 PolarHBondContact O-N 2.75Å; I1034-S1038 PolarHBondContact O-N 2.81Å
1035G70.1Confident66.8Low7 Ų765.4 Ų65.47%0.07235%0.346CS..Hα-helixtrans-63.9-47179.300000113.4P1031 L1032 G1037 S1038 Q1039P1031-G1035 PolarHBondContact O-N 3.46Å; L1032-G1035 PolarHBondContact O-N 2.72Å; G1035-G1037 VanDerWaalsContact C-N 3.31Å; G1035-G1037 PolarHBondContact O-N 2.75Å; G1035-S1038 PolarHBondContact O-N 2.93Å; G1035-S1038 PolarHBondContact O-OG 3.14Å; G1035-Q1039 WeakPolarHBondContact O-CB 3.25Å; G1035-Q1039 WeakPolarHBondContact O-CG 3.14Å; G1035-Q1039 PolarHBondContact O-N 3.37Å; G1035-Q1039 VanDerWaalsContact O-N 3.16Å
1036I71.1Confident67.2Low2 Ų266.4 Ų66.41%0.0135%0.348CS..Hα-helixtrans-62.5-42.6173.4-67.1168.7000110L981 L983 V1000 L1032 S1038 Q1039 L1040 Y1048L981-I1036 HydrophobicContact CD1-CD1 4.39Å; L981-I1036 HydrophobicContact CD2-CD1 3.72Å; L983-I1036 HydrophobicContact CD2-CD1 4.35Å; L983-I1036 HydrophobicContact CD2-CG2 4.08Å; V1000-I1036 HydrophobicContact CG2-CD1 4.43Å; L1032-I1036 HydrophobicContact CD1-CD1 3.68Å; L1032-I1036 HydrophobicContact CD1-CG1 4.38Å; L1032-I1036 HydrophobicContact CG-CD1 3.89Å; L1032-I1036 WeakPolarHBondContact O-CB 3.19Å; L1032-I1036 VanDerWaalsContact O-CG1 3.3Å; L1032-I1036 WeakPolarHBondContact O-CG1 3.29Å; L1032-I1036 PolarHBondContact O-N 2.78Å; I1036-S1038 VanDerWaalsContact C-N 3.33Å; I1036-S1038 PolarHBondContact O-N 3.13Å; I1036-Q1039 PolarHBondContact O-N 3.28Å; I1036-Q1039 VanDerWaalsContact O-N 3.15Å; I1036-L1040 HydrophobicContact CG2-CD2 4.48Å; I1036-L1040 WeakPolarHBondContact O-CG 3.43Å; I1036-L1040 PolarHBondContact O-N 2.85Å; I1036-Y1048 HydrophobicContact CG2-CD1 3.66Å; I1036-Y1048 HydrophobicContact CG2-CE1 4.32Å; I1036-Y1048 HydrophobicContact CG2-CG 4.12Å
1037G67.7Low67.5Low33 Ų3364 Ų6434%0.3434%0.339SS..Hα-helixtrans-58.9-37.4-179.800000114.4I1033 I1034 G1035I1033-G1037 PolarHBondContact O-N 3.49Å; I1034-G1037 PolarHBondContact O-N 2.75Å; G1035-G1037 VanDerWaalsContact C-N 3.31Å; G1035-G1037 PolarHBondContact O-N 2.75Å
1038S71.9Confident68Low95 Ų9561.5 Ų61.566%0.66433%0.325SS*.Hα-helixtrans-76.4-34.2174.3630000112.8I1034 G1035 I1036I1034-S1038 PolarHBondContact O-N 2.81Å; G1035-S1038 PolarHBondContact O-N 2.93Å; G1035-S1038 PolarHBondContact O-OG 3.14Å; I1036-S1038 VanDerWaalsContact C-N 3.33Å; I1036-S1038 PolarHBondContact O-N 3.13Å
1039Q69.4Low68.1Low56 Ų5657.3 Ų57.326%0.26231%0.314SS..Hα-helixtrans-88.3-9.5-174.2-68.1-177.8-34.500115.4G1035 I1036 K1041 E1042 L1043G1035-Q1039 WeakPolarHBondContact O-CB 3.25Å; G1035-Q1039 WeakPolarHBondContact O-CG 3.14Å; G1035-Q1039 PolarHBondContact O-N 3.37Å; G1035-Q1039 VanDerWaalsContact O-N 3.16Å; I1036-Q1039 PolarHBondContact O-N 3.28Å; I1036-Q1039 VanDerWaalsContact O-N 3.15Å; Q1039-K1041 PolarHBondContact O-N 3.26Å; Q1039-E1042 PolarHBondContact O-N 2.97Å; Q1039-L1043 HydrophobicContact CB-CD1 3.81Å; Q1039-L1043 HydrophobicContact CB-CG 3.98Å; Q1039-L1043 WeakPolarHBondContact O-CG 3.23Å; Q1039-L1043 PolarHBondContact O-N 3.03Å
1040L67.5Low68.4Low37 Ų3759 Ų5919%0.19432%0.323CS..THydrogen-bonded Turntrans-40.3-41.6-176.4-88.2172.2000115.3I1036 C1045 Y1048I1036-L1040 HydrophobicContact CG2-CD2 4.48Å; I1036-L1040 WeakPolarHBondContact O-CG 3.43Å; I1036-L1040 PolarHBondContact O-N 2.85Å; L1040-C1045 HydrophobicContact CD2-CB 3.63Å; L1040-C1045 PolarHBondContact O-N 3.16Å; L1040-Y1048 HydrophobicContact CD1-CD1 4.09Å; L1040-Y1048 HydrophobicContact CD1-CE1 4.22Å; L1040-Y1048 HydrophobicContact CD2-CD1 4.27Å; L1040-Y1048 HydrophobicContact CG-CD1 4.36Å
1041K66.2Low68.5Low193 Ų19356.6 Ų56.684%0.83932%0.316SS*.THydrogen-bonded Turntrans-69.3-40.4178.6-70.6-177.2177.9178.10113.5Q1039 L1043Q1039-K1041 PolarHBondContact O-N 3.26Å; K1041-L1043 VanDerWaalsContact C-N 3.33Å
1042E67.7Low68.3Low156 Ų15655.8 Ų55.873%0.72931%0.307SS*.THydrogen-bonded Turntrans-72.2-31.2177.6-58.3-174.514300111.6Q1039 N1044Q1039-E1042 PolarHBondContact O-N 2.97Å; E1042-N1044 PolarHBondContact O-N 2.86Å
1043L62.2Low68.1Low20 Ų2056 Ų5611%0.10531%0.308CS..THydrogen-bonded Turntrans-74.9-4.9179.4-61.9173.2000113.7L996 I999 Q1039 K1041 C1045L996-L1043 HydrophobicContact CD2-CB 4.04Å; L996-L1043 HydrophobicContact CD2-CD2 4.14Å; I999-L1043 HydrophobicContact CD1-CD2 3.47Å; I999-L1043 VanDerWaalsContact CD1-CD2 3.47Å; Q1039-L1043 HydrophobicContact CB-CD1 3.81Å; Q1039-L1043 HydrophobicContact CB-CG 3.98Å; Q1039-L1043 WeakPolarHBondContact O-CG 3.23Å; Q1039-L1043 PolarHBondContact O-N 3.03Å; K1041-L1043 VanDerWaalsContact C-N 3.33Å; L1043-C1045 VanDerWaalsContact C-N 3.26Å; L1043-C1045 HydrophobicContact CB-CB 4.23Å; L1043-C1045 PolarHBondContact O-N 3.42Å
1044N66.3Low68Low71 Ų7156.6 Ų56.638%0.3831%0.314SS..THydrogen-bonded Turntrans48.848.2-166.7-79.4-42.5000111.6A986 E1042A986-N1044 VanDerWaalsContact CB-O 3.29Å; A986-N1044 WeakPolarHBondContact CB-O 3.35Å; A986-N1044 PolarHBondContact N-O 2.81Å; E1042-N1044 PolarHBondContact O-N 2.86Å
1045C66.3Low68.1Low12 Ų1251.5 Ų51.58%0.08129%0.288CS..EExtended strand (participates in β ladder)trans-115.5134.8179.5-75.10000112.2Q984 L1040 L1043 G1047Q984-C1045 CarbonylContact O-C 3.39Å; Q984-C1045 WeakPolarHBondContact O-CA 3.48Å; Q984-C1045 VanDerWaalsContact O-CB 3.28Å; Q984-C1045 WeakPolarHBondContact O-CB 3.47Å; L1040-C1045 HydrophobicContact CD2-CB 3.63Å; L1040-C1045 PolarHBondContact O-N 3.16Å; L1043-C1045 VanDerWaalsContact C-N 3.26Å; L1043-C1045 HydrophobicContact CB-CB 4.23Å; L1043-C1045 PolarHBondContact O-N 3.42Å; C1045-G1047 VanDerWaalsContact C-N 3.32Å
1046L65.3Low67.9Low113 Ų11353.8 Ų53.859%0.59230%0.297SS*.EExtended strand (participates in β ladder)trans-73.4-25.7177.2-74.3165.6000112.8Q984 A986Q984-L1046 HydrophobicContact CB-CB 4.09Å; Q984-L1046 PolarHBondContact O-N 3.47Å; A986-L1046 HydrophobicContact CB-CD2 4.24Å; A986-L1046 HydrophobicContact CB-CG 3.9Å
1047G67.1Low67.8Low15 Ų1556.9 Ų56.916%0.15531%0.312CS..EExtended strand (participates in β ladder)trans170.1177.1-178.600000111.6Q984 C1045Q984-G1047 PolarHBondContact N-O 3.13Å; C1045-G1047 VanDerWaalsContact C-N 3.32Å
1048Y70.9Confident67.9Low52 Ų5255.9 Ų55.920%0.20430%0.298CS..EExtended strand (participates in β ladder)trans-128.4156.3169.965.1-92.5000110.3L981 I982 I1033 I1036 L1040 L1628L981-Y1048 HydrophobicContact CD1-CD2 4.48Å; I982-Y1048 CarbonylContact O-C 3.57Å; I982-Y1048 WeakPolarHBondContact O-CA 3.49Å; I1033-Y1048 HydrophobicContact CG2-CE2 4.02Å; I1033-Y1048 WeakPolarHBondContact CG2-OH 3.39Å; I1036-Y1048 HydrophobicContact CG2-CD1 3.66Å; I1036-Y1048 HydrophobicContact CG2-CE1 4.32Å; I1036-Y1048 HydrophobicContact CG2-CG 4.12Å; L1040-Y1048 HydrophobicContact CD1-CD1 4.09Å; L1040-Y1048 HydrophobicContact CD1-CE1 4.22Å; L1040-Y1048 HydrophobicContact CD2-CD1 4.27Å; L1040-Y1048 HydrophobicContact CG-CD1 4.36Å; Y1048-L1628 HydrophobicContact CE2-CD2 4.27Å
1049G67.2Low67.8Low32 Ų3254.4 Ų54.433%0.3328%0.28SS..EExtended strand (participates in β ladder)trans-131.4144.3168.800000110.3I982I982-G1049 PolarHBondContact N-O 2.66Å; I982-G1049 PolarHBondContact O-N 3.22Å
1050L71.5Confident67.5Low43 Ų4357 Ų5723%0.22529%0.292CS..EExtended strand (participates in β ladder)trans-116.9123.3172.7-166.286.9000108.3Y979 N980 L981 L1021 L1029 I1033Y979-L1050 HydrophobicContact CD1-CD2 3.97Å; Y979-L1050 HydrophobicContact CD1-CG 4.16Å; Y979-L1050 HydrophobicContact CG-CD2 4.35Å; N980-L1050 WeakPolarHBondContact O-CA 3.3Å; L981-L1050 HydrophobicContact CB-CD1 4.31Å; L981-L1050 HydrophobicContact CD1-CD1 4.49Å; L1021-L1050 HydrophobicContact CD1-CD1 4.37Å; L1029-L1050 HydrophobicContact CD1-CD2 4.26Å; I1033-L1050 HydrophobicContact CD1-CD2 4.23Å
1051S66.4Low67.5Low41 Ų4162.7 Ų62.729%0.28732%0.317SS..EExtended strand (participates in β ladder)trans-131.9161.2177.557.20000111.5N980N980-S1051 WeakPolarHBondContact CB-OG 3.33Å; N980-S1051 PolarHBondContact N-O 3.49Å; N980-S1051 PolarHBondContact O-N 3.44Å
1052E66.5Low67.2Low58 Ų5856.2 Ų56.227%0.27129%0.29SS..EExtended strand (participates in β ladder)trans-82.1165.9170.8-69.6174.4171.200110Y979 N980Y979-E1052 HydrophobicContact CD1-CG 3.84Å; Y979-E1052 HydrophobicContact CE1-CG 3.34Å; Y979-E1052 PolarHBondContact OH-OE1 3.36Å; N980-E1052 PolarHBondContact ND2-O 3.09Å
1053C66.5Low66.7Low5 Ų550.9 Ų50.93%0.03427%0.268CS..PPolyproline II helixtrans-64.4139.2174.3-170.10000110.8K972 H976 Q1057K972-C1053 WeakPolarHBondContact CD-O 3.37Å; K972-C1053 WeakPolarHBondContact CE-O 3.48Å; K972-C1053 PolarHBondContact NZ-O 3.27Å; H976-C1053 HydrophobicContact CB-CB 3.89Å; C1053-Q1057 PolarHBondContact SG-OE1 3.49Å
1054S69.6Low66.3Low39 Ų3953.3 Ų53.327%0.27330%0.298SS..PPolyproline II helixtrans-93153.5177.673.30000111.7E1056 Q1057S1054-E1056 PolarHBondContact O-N 3.47Å; S1054-Q1057 WeakPolarHBondContact O-CB 3.43Å; S1054-Q1057 PolarHBondContact O-N 3.04Å
1055I73.4Confident65.2Low1 Ų155 Ų551%0.00531%0.311CS..Hα-helixtrans-62.9-27-179.8-53.1178.6000111.4F944 E948 V954 L956 P968 Q1057 I1058 F1059F944-I1055 HydrophobicContact CD1-CB 3.84Å; F944-I1055 HydrophobicContact CD1-CG2 3.72Å; F944-I1055 HydrophobicContact CE1-CG2 4.1Å; E948-I1055 HydrophobicContact CB-CD1 4.3Å; V954-I1055 HydrophobicContact CG2-CD1 4.12Å; L956-I1055 HydrophobicContact CD1-CG2 4.13Å; L956-I1055 HydrophobicContact CD2-CG2 4.17Å; P968-I1055 HydrophobicContact CB-CD1 4.13Å; I1055-Q1057 VanDerWaalsContact C-N 3.32Å; I1055-Q1057 PolarHBondContact O-N 2.98Å; I1055-I1058 PolarHBondContact O-N 3.01Å; I1055-F1059 PolarHBondContact O-N 3.21Å
1056E66.3Low63.8Low56 Ų5659.5 Ų59.526%0.26233%0.334SS..Hα-helixtrans-59.1-40.7172.7-166.7-162.5-163.300112.2F944 S1054 I1058 F1059 H1060 R1521F944-E1056 HydrophobicContact CB-CB 4.29Å; F944-E1056 HydrophobicContact CD1-CB 4.48Å; F944-E1056 HydrophobicContact CD2-CB 3.51Å; F944-E1056 HydrophobicContact CD2-CG 3.64Å; F944-E1056 HydrophobicContact CE2-CB 3.9Å; F944-E1056 HydrophobicContact CE2-CG 3.66Å; F944-E1056 HydrophobicContact CG-CB 3.83Å; F944-E1056 HydrophobicContact CG-CG 4.45Å; F944-E1056 HydrophobicContact CZ-CG 4.49Å; S1054-E1056 PolarHBondContact O-N 3.47Å; E1056-I1058 VanDerWaalsContact C-N 3.34Å; E1056-I1058 PolarHBondContact O-N 3.17Å; E1056-F1059 PolarHBondContact O-N 2.85Å; E1056-H1060 PolarHBondContact O-N 3.12Å; E1056-H1060 VanDerWaalsContact O-N 3.09Å; E1056-R1521 IonicContact OE1-CZ 2.68Å; E1056-R1521 IonicContact OE1-NE 2.89Å; E1056-R1521 IonicContact OE1-NH2 3.22Å; E1056-R1521 PolarHBondContact OE1-NH2 2.94Å; E1056-R1521 IonicContact OE2-NH2 2.75Å; E1056-R1521 PolarHBondContact OE2-NH2 3.45Å; E1056-R1521 VanDerWaalsContact OE2-NH2 3.13Å
1057Q68Low62.2Low67 Ų6759 Ų5931%0.31335%0.346SS..Hα-helixtrans-65.9-38.7179.2-64.8-175.7-65.500111.1N980 C1053 S1054 I1055N980-Q1057 PolarHBondContact ND2-OE1 3.09Å; C1053-Q1057 PolarHBondContact SG-OE1 3.49Å; S1054-Q1057 WeakPolarHBondContact O-CB 3.43Å; S1054-Q1057 PolarHBondContact O-N 3.04Å; I1055-Q1057 VanDerWaalsContact C-N 3.32Å; I1055-Q1057 PolarHBondContact O-N 2.98Å
1058I70.4Confident60.5Low11 Ų1163.7 Ų63.76%0.05638%0.377CS..Hα-helixtrans-63.6-48.8175.7-58170.7000110.3L956 Y975 I1055 E1056 H1060 H1061L956-I1058 HydrophobicContact CD1-CG2 4.37Å; Y975-I1058 HydrophobicContact CD1-CG2 4.11Å; Y975-I1058 HydrophobicContact CD2-CG2 4.25Å; Y975-I1058 HydrophobicContact CG-CG2 3.79Å; I1055-I1058 PolarHBondContact O-N 3.01Å; E1056-I1058 VanDerWaalsContact C-N 3.34Å; E1056-I1058 PolarHBondContact O-N 3.17Å; I1058-H1060 VanDerWaalsContact C-N 3.31Å; I1058-H1060 PolarHBondContact O-N 3.46Å; I1058-H1061 WeakPolarHBondContact O-CB 3.46Å; I1058-H1061 PolarHBondContact O-N 3.47Å
1059F68.6Low58.6Low65 Ų6570.6 Ų70.629%0.28541%0.408SS..Hα-helixtrans-61.5-36.5-179.8179.6-99.6000113.4F944 L956 I1055 E1056 H1061 E1062 T1063F944-F1059 HydrophobicContact CE1-CB 3.87Å; F944-F1059 HydrophobicContact CE1-CG 4.27Å; F944-F1059 HydrophobicContact CZ-CB 3.72Å; F944-F1059 AromaticContact CZ-CD1 3.89Å; F944-F1059 HydrophobicContact CZ-CD1 3.89Å; F944-F1059 AromaticContact CZ-CG 3.81Å; F944-F1059 HydrophobicContact CZ-CG 3.81Å; L956-F1059 HydrophobicContact CD1-CB 4.22Å; L956-F1059 HydrophobicContact CD1-CD2 4.46Å; L956-F1059 HydrophobicContact CD2-CD2 4.46Å; I1055-F1059 PolarHBondContact O-N 3.21Å; E1056-F1059 PolarHBondContact O-N 2.85Å; F1059-H1061 PolarHBondContact O-N 2.97Å; F1059-E1062 PolarHBondContact O-N 3.13Å; F1059-T1063 HydrophobicContact CD1-CG2 4.43Å; F1059-T1063 HydrophobicContact CD2-CG2 4.36Å; F1059-T1063 HydrophobicContact CE1-CG2 3.97Å; F1059-T1063 HydrophobicContact CE2-CG2 3.89Å; F1059-T1063 HydrophobicContact CZ-CG2 3.68Å; F1059-T1063 WeakPolarHBondContact O-CG2 3.5Å; F1059-T1063 PolarHBondContact O-OG1 2.78Å
1060H64.7Low56.7Low110 Ų11077.3 Ų77.351%0.50943%0.433SS..Hα-helixtrans-70.9-18.9-179.4-160-63.6000113.4E1056 I1058 R1521E1056-H1060 PolarHBondContact O-N 3.12Å; E1056-H1060 VanDerWaalsContact O-N 3.09Å; I1058-H1060 VanDerWaalsContact C-N 3.31Å; I1058-H1060 PolarHBondContact O-N 3.46Å; H1060-R1521 PolarHBondContact CD2-NH1 3.39Å; H1060-R1521 PolarHBondContact NE2-NH1 3.19Å
1061H65.8Low54.8Low156 Ų15682.1 Ų82.172%0.72246%0.463SS*.Hα-helixtrans-75.3-39.5173.9-166.2-95.1000111.7I1058 F1059 T1063I1058-H1061 WeakPolarHBondContact O-CB 3.46Å; I1058-H1061 PolarHBondContact O-N 3.47Å; F1059-H1061 PolarHBondContact O-N 2.97Å; H1061-T1063 VanDerWaalsContact C-N 3.35Å; H1061-T1063 PolarHBondContact O-N 3.26Å
1062E60Low53.2Low57 Ų5782.4 Ų82.427%0.26647%0.468SS..THydrogen-bonded Turntrans-835.6-170.2-76.2-58.9129.400116.4K963 F1059K963-E1062 HydrophobicContact CD-CB 4.4Å; K963-E1062 WeakPolarHBondContact CD-OE2 3.19Å; K963-E1062 WeakPolarHBondContact CE-O 3.35Å; K963-E1062 WeakPolarHBondContact CE-OE2 3.34Å; K963-E1062 HydrophobicContact CG-CB 4.3Å; K963-E1062 PolarHBondContact NZ-O 3.43Å; K963-E1062 IonicContact NZ-OE2 2.74Å; K963-E1062 PolarHBondContact NZ-OE2 3.39Å; F1059-E1062 PolarHBondContact O-N 3.13Å
1063T58.4Low51.4Low44 Ų4486.8 Ų86.827%0.2749%0.489SS..THydrogen-bonded Turntrans-124.812.6-164.946.90000114.9S958 F1059 H1061S958-T1063 WeakPolarHBondContact OG-CG2 3.01Å; F1059-T1063 HydrophobicContact CD1-CG2 4.43Å; F1059-T1063 HydrophobicContact CD2-CG2 4.36Å; F1059-T1063 HydrophobicContact CE1-CG2 3.97Å; F1059-T1063 HydrophobicContact CE2-CG2 3.89Å; F1059-T1063 HydrophobicContact CZ-CG2 3.68Å; F1059-T1063 WeakPolarHBondContact O-CG2 3.5Å; F1059-T1063 PolarHBondContact O-OG1 2.78Å; H1061-T1063 VanDerWaalsContact C-N 3.35Å; H1061-T1063 PolarHBondContact O-N 3.26Å
1064G52.4Low49.7Very low71 Ų7192.6 Ų92.673%0.73252%0.52SS*.SBendtrans-87.8-12.8-16700000118.7
1065T44.3Very low47.8Very low108 Ų10896.9 Ų96.966%0.66354%0.544SS*.SBendtrans-107.2-26.8-145.5370000119.6
1066D37Very low45.7Very low106 Ų106108.5 Ų108.557%0.56759%0.588SS**  trans-112.618.5-149.4-63.2-62.1000118.9S1068D1066-S1068 PolarHBondContact O-N 2.62Å
1067A31.1Very low43.9Very low102 Ų102113.9 Ų113.984%0.84361%0.61SS**  trans-77-2.3-156.300000119.9
1068S31.6Very low42.2Very low113 Ų113114.7 Ų114.779%0.7962%0.617SS**  trans-107.219.3-146.6-500000120.2D1066D1066-S1068 PolarHBondContact O-N 2.62Å
1069K30.6Very low40.3Very low197 Ų197122.6 Ų122.686%0.85765%0.653SS**  trans-129-11.9-156.6-76.3-173.9176.3177.90124.7
1070M27.4Very low38.5Very low174 Ų174123 Ų12386%0.85768%0.677SS**  trans-151.2118.5-173.5-69.8-171.9176.300118.9
1071V32.6Very low36.9Very low143 Ų143127.1 Ų127.187%0.86770%0.696SS**  trans-158130.1155.4179.70000110.4
1072A31.4Very low35.3Very low47 Ų47126.4 Ų126.439%0.38870%0.703SS.*  trans177.7146.315800000114.2K774K774-A1072 PolarHBondContact NZ-O 3.36Å
1073E30.3Very low33.8Very low151 Ų151128.6 Ų128.671%0.70673%0.73SS**  trans65.1160.3152-68.4159.8152.900121.3
1074N30.2Very low32.5Very low127 Ų127131 Ų13168%0.67976%0.755SS**  cis-160.6176.7-47.9-110-20.6000114.3
1075T29.3Very low31.3Very low128 Ų128135.1 Ų135.179%0.78576%0.76SS**  trans-157.7154.3-176.255.20000117.7
1076R29.2Very low30.5Very low245 Ų245136.4 Ų136.493%0.92577%0.767SS**  trans152.2163.6155.8-89.1159.8-170.8-152.4-0.7114.3
1077K29.6Very low30.2Very low169 Ų169137.4 Ų137.474%0.73578%0.777SS**  cis-156-131.1-23.7-153.3-162.1-179-67.10112.6
1078D30.7Very low30.2Very low84 Ų84138.4 Ų138.445%0.44978%0.778SS.*  trans-158.1-174.5-164.956.8-129.1000112
1079Q31Very low30.3Very low177 Ų177136.7 Ų136.783%0.82777%0.77SS**  cis-168.7170.62-138.4167.72.900111.8
1080G31.3Very low30.6Very low75 Ų75136.2 Ų136.277%0.77378%0.776SS**  trans158.5111.4158.800000125.3
1081E30.7Very low31Very low195 Ų195131.4 Ų131.491%0.91177%0.772SS**  trans40175.2136.9-61.1-172.3157.300128.6
1082T32.3Very low31.6Very low141 Ų141133 Ų13387%0.86577%0.774SS**  trans-157.6169.8-158.157.90000117.7
1083A29.5Very low32.3Very low103 Ų103140.5 Ų140.585%0.85179%0.792SS**  trans116144.5144.800000121.2
1084A29.2Very low33.1Very low95 Ų95139 Ų13979%0.78580%0.799SS**  trans-172.5163.2165.300000117.1
1085L27.9Very low33.9Very low158 Ų158136.5 Ų136.583%0.82779%0.785SS**  trans88.1131.7149.1-99.6153.1000124.3
1086V28.6Very low34.8Very low135 Ų135139.4 Ų139.482%0.81879%0.787SS**  trans-153.6121.7172.2174.70000111
1087T29.9Very low35.8Very low127 Ų127136.9 Ų136.978%0.77978%0.778SS**  trans-169.3100.3162.97.30000113.5
1088S30.1Very low36.9Very low122 Ų122131.8 Ų131.885%0.85376%0.764SS**  trans-178.391.8164.535.50000113.9
1089A35.4Very low37.8Very low77 Ų77128.6 Ų128.664%0.63675%0.748SS**  trans-160.4108.7171.200000113.7
1090L36Very low39.1Very low187 Ų187124.5 Ų124.598%0.97973%0.731SS**  trans171.3129147-97.9160.3000109.3
1091G36.6Very low40.3Very low74 Ų74125.4 Ų125.476%0.76371%0.714SS**  trans-164.9118.8-179.600000113.6
1092L44.8Very low41.6Very low176 Ų176119.3 Ų119.392%0.92168%0.683SS**  trans-90.6146.1-178.7-74.1158.8000111.6
1093R45.9Very low42.7Very low204 Ų204116.4 Ų116.477%0.7766%0.66SS**  trans-132.2125.6171.6-72.4-176.8176.2177.7-1.3110.3R1125R1093-R1125 PolarHBondContact O-NH2 2.8Å
1094S46.9Very low44.1Very low120 Ų120119.6 Ų119.684%0.83965%0.65SS**  trans-72.3149.8169-174.10000111.4
1095L47.9Very low45.3Very low74 Ų74116.8 Ų116.839%0.38762%0.622SS.*  trans-142146.5-178.4-69.3172.7000110F1101 Y1102L1095-F1101 HydrophobicContact CD1-CD1 4.32Å; L1095-F1101 HydrophobicContact CD1-CE1 3.92Å; L1095-F1101 HydrophobicContact CD2-CE1 3.81Å; L1095-F1101 HydrophobicContact CD2-CZ 4.31Å; L1095-F1101 HydrophobicContact CG-CE1 4.5Å; L1095-Y1102 HydrophobicContact CD1-CE2 4.29Å
1096K46.5Very low46.7Very low189 Ų189111.3 Ų111.382%0.82259%0.59SS**  trans-115.87.1-175.8-88.5-170.9171.9-175.20115
1097Y50.5Low48Very low192 Ų192108.2 Ų108.275%0.75357%0.567SS**SBendtrans-133.8173.9-167.4-63-69.9000114
1098S52.5Low49.3Very low63 Ų63108.5 Ų108.544%0.44156%0.559SS.*  trans-73.5168.3-152.3500000117.8I1100 F1101S1098-I1100 VanDerWaalsContact C-N 3.3Å; S1098-I1100 PolarHBondContact O-N 3.44Å; S1098-F1101 WeakPolarHBondContact O-CB 3.21Å; S1098-F1101 PolarHBondContact O-N 3.04Å
1099S51.1Low50.2Low16 Ų16107.7 Ų107.711%0.11255%0.545CS..Hα-helixtrans-45-44.117348.20000114.8E29 F1101 Y1102 E1103E29-S1099 WeakPolarHBondContact O-CB 3.23Å; E29-S1099 PolarHBondContact O-OG 3.38Å; S1099-F1101 PolarHBondContact O-N 3.14Å; S1099-Y1102 WeakPolarHBondContact O-CA 3.3Å; S1099-Y1102 WeakPolarHBondContact O-CB 3.38Å; S1099-Y1102 PolarHBondContact O-N 3.39Å; S1099-E1103 PolarHBondContact O-N 3.03Å
1100I56.8Low51Low91 Ų91105.7 Ų105.747%0.46752%0.522SS..Hα-helixtrans-60-30.2179.2-57.4171.1000111.7S1098 Y1102 R1104S1098-I1100 VanDerWaalsContact C-N 3.3Å; S1098-I1100 PolarHBondContact O-N 3.44Å; I1100-Y1102 VanDerWaalsContact C-N 3.31Å; I1100-R1104 PolarHBondContact O-N 2.86Å
1101F56.5Low51.7Low94 Ų9497.6 Ų97.641%0.41248%0.48SS..Hα-helixtrans-66.2-34.6172.4-174.5-95.8000111.2L1095 S1098 S1099 N1105L1095-F1101 HydrophobicContact CD1-CD1 4.32Å; L1095-F1101 HydrophobicContact CD1-CE1 3.92Å; L1095-F1101 HydrophobicContact CD2-CE1 3.81Å; L1095-F1101 HydrophobicContact CD2-CZ 4.31Å; L1095-F1101 HydrophobicContact CG-CE1 4.5Å; S1098-F1101 WeakPolarHBondContact O-CB 3.21Å; S1098-F1101 PolarHBondContact O-N 3.04Å; S1099-F1101 PolarHBondContact O-N 3.14Å; F1101-N1105 WeakPolarHBondContact CD1-ND2 3.4Å; F1101-N1105 WeakPolarHBondContact CD2-ND2 3.47Å; F1101-N1105 VanDerWaalsContact CE1-ND2 3.28Å; F1101-N1105 WeakPolarHBondContact CE1-ND2 3.32Å; F1101-N1105 VanDerWaalsContact CE2-ND2 3.28Å; F1101-N1105 WeakPolarHBondContact CE2-ND2 3.45Å; F1101-N1105 WeakPolarHBondContact CG-ND2 3.48Å; F1101-N1105 WeakPolarHBondContact CZ-ND2 3.29Å; F1101-N1105 VanDerWaalsContact O-CB 3.25Å; F1101-N1105 WeakPolarHBondContact O-CB 3.27Å; F1101-N1105 PolarHBondContact O-N 3.1Å; F1101-N1105 PolarHBondContact O-ND2 3.09Å
1102Y58.2Low52.6Low68 Ų6897.2 Ų97.227%0.26746%0.46SS..Hα-helixtrans-69-46.3174.4-82.7-92.9000112F572 L1095 S1099 I1100 Y1106F572-Y1102 AromaticContact CD1-CD1 3.93Å; F572-Y1102 HydrophobicContact CD1-CD1 3.93Å; F572-Y1102 HydrophobicContact CD1-CE1 4.39Å; F572-Y1102 HydrophobicContact CD1-CG 4.38Å; F572-Y1102 AromaticContact CE1-CD1 3.43Å; F572-Y1102 HydrophobicContact CE1-CD1 3.43Å; F572-Y1102 VanDerWaalsContact CE1-CD1 3.43Å; F572-Y1102 AromaticContact CE1-CE1 3.45Å; F572-Y1102 HydrophobicContact CE1-CE1 3.45Å; F572-Y1102 VanDerWaalsContact CE1-CE1 3.45Å; F572-Y1102 HydrophobicContact CE1-CG 4.1Å; F572-Y1102 HydrophobicContact CZ-CD1 4.24Å; F572-Y1102 AromaticContact CZ-CE1 3.92Å; F572-Y1102 HydrophobicContact CZ-CE1 3.92Å; L1095-Y1102 HydrophobicContact CD1-CE2 4.29Å; S1099-Y1102 WeakPolarHBondContact O-CA 3.3Å; S1099-Y1102 WeakPolarHBondContact O-CB 3.38Å; S1099-Y1102 PolarHBondContact O-N 3.39Å; I1100-Y1102 VanDerWaalsContact C-N 3.31Å; Y1102-Y1106 WeakPolarHBondContact O-CA 3.28Å; Y1102-Y1106 WeakPolarHBondContact O-CB 3.5Å; Y1102-Y1106 PolarHBondContact O-N 3.04Å
1103E56.8Low52.7Low79 Ų7992 Ų9237%0.36944%0.436SS..Hα-helixtrans-62.3-52-177.6-173.5177.4-151.700112.7P573 S1099 N1105 Y1106 Q1107P573-E1103 HydrophobicContact CG-CB 4.43Å; S1099-E1103 PolarHBondContact O-N 3.03Å; E1103-N1105 PolarHBondContact O-N 3.03Å; E1103-Y1106 PolarHBondContact O-N 3.43Å; E1103-Y1106 VanDerWaalsContact O-N 3.13Å; E1103-Q1107 PolarHBondContact O-N 3.35Å
1104R57Low52.7Low170 Ų17084.3 Ų84.364%0.64241%0.41SS*.Hα-helixtrans-62.1-42.2179.7-74.2-173.4176179.4-0.5112.7I1100 Q1108I1100-R1104 PolarHBondContact O-N 2.86Å; R1104-Q1108 WeakPolarHBondContact O-CB 3.33Å; R1104-Q1108 WeakPolarHBondContact O-CG 3.39Å; R1104-Q1108 PolarHBondContact O-N 2.84Å
1105N55.5Low52.8Low37 Ų3783.1 Ų83.120%0.19839%0.394CS..Hα-helixtrans-69.7-36.2175.1-74.5-65.6000111.3F1101 E1103 Q1107 Q1108 L1109 F1110F1101-N1105 WeakPolarHBondContact CD1-ND2 3.4Å; F1101-N1105 WeakPolarHBondContact CD2-ND2 3.47Å; F1101-N1105 VanDerWaalsContact CE1-ND2 3.28Å; F1101-N1105 WeakPolarHBondContact CE1-ND2 3.32Å; F1101-N1105 VanDerWaalsContact CE2-ND2 3.28Å; F1101-N1105 WeakPolarHBondContact CE2-ND2 3.45Å; F1101-N1105 WeakPolarHBondContact CG-ND2 3.48Å; F1101-N1105 WeakPolarHBondContact CZ-ND2 3.29Å; F1101-N1105 VanDerWaalsContact O-CB 3.25Å; F1101-N1105 WeakPolarHBondContact O-CB 3.27Å; F1101-N1105 PolarHBondContact O-N 3.1Å; F1101-N1105 PolarHBondContact O-ND2 3.09Å; E1103-N1105 PolarHBondContact O-N 3.03Å; N1105-Q1107 VanDerWaalsContact C-N 3.3Å; N1105-Q1107 PolarHBondContact O-N 3.1Å; N1105-Q1108 PolarHBondContact O-N 3.47Å; N1105-L1109 HydrophobicContact CB-CD1 4.07Å; N1105-L1109 WeakPolarHBondContact O-CA 3.03Å; N1105-L1109 WeakPolarHBondContact O-CB 3.33Å; N1105-L1109 PolarHBondContact O-N 3.12Å; N1105-L1109 VanDerWaalsContact OD1-CD1 3.25Å; N1105-L1109 WeakPolarHBondContact OD1-CD1 3.42Å; N1105-F1110 WeakPolarHBondContact O-CD2 3.39Å
1106Y56.2Low53Low42 Ų4284.2 Ų84.217%0.16539%0.393CS..Hα-helixtrans-60.9-40.7178.7-171.3-121.4000111.4Y1102 E1103 F1110 I1111 F1124 N1203Y1102-Y1106 WeakPolarHBondContact O-CA 3.28Å; Y1102-Y1106 WeakPolarHBondContact O-CB 3.5Å; Y1102-Y1106 PolarHBondContact O-N 3.04Å; E1103-Y1106 PolarHBondContact O-N 3.43Å; E1103-Y1106 VanDerWaalsContact O-N 3.13Å; Y1106-F1110 HydrophobicContact CD2-CB 4.25Å; Y1106-F1110 HydrophobicContact CD2-CD2 4.32Å; Y1106-F1110 HydrophobicContact CD2-CG 4.45Å; Y1106-F1110 WeakPolarHBondContact O-CB 3.34Å; Y1106-F1110 PolarHBondContact O-N 3.43Å; Y1106-I1111 HydrophobicContact CD1-CD1 3.73Å; Y1106-I1111 HydrophobicContact CD1-CG1 4.28Å; Y1106-I1111 HydrophobicContact CE1-CD1 3.69Å; Y1106-I1111 HydrophobicContact CE1-CG1 4.15Å; Y1106-I1111 PolarHBondContact O-N 2.81Å; Y1106-F1124 AromaticContact CE2-CE2 3.99Å; Y1106-F1124 HydrophobicContact CE2-CE2 3.99Å; Y1106-F1124 HydrophobicContact CE2-CZ 4.15Å; Y1106-F1124 VanDerWaalsContact OH-CZ 3.26Å; Y1106-F1124 WeakPolarHBondContact OH-CZ 3.11Å; Y1106-N1203 PolarHBondContact OH-ND2 3.39Å
1107Q57.6Low52.9Low70 Ų7076.3 Ų76.333%0.32737%0.366SS..Iπ-helixtrans-63.2-67168-71.8178.1-38.600111.4E1103 N1105 L1109 I1111 D1112E1103-Q1107 PolarHBondContact O-N 3.35Å; N1105-Q1107 VanDerWaalsContact C-N 3.3Å; N1105-Q1107 PolarHBondContact O-N 3.1Å; Q1107-L1109 PolarHBondContact O-N 2.94Å; Q1107-I1111 HydrophobicContact CG-CD1 4.39Å; Q1107-I1111 PolarHBondContact O-N 2.89Å; Q1107-I1111 VanDerWaalsContact O-N 3.15Å; Q1107-D1112 PolarHBondContact O-N 3.2Å
1108Q55.6Low52.8Low133 Ų13374.6 Ų74.662%0.62137%0.369SS*.Iπ-helixtrans-69.9-28.1-165.7-66.3-176.9-32.300115.7R1104 N1105R1104-Q1108 WeakPolarHBondContact O-CB 3.33Å; R1104-Q1108 WeakPolarHBondContact O-CG 3.39Å; R1104-Q1108 PolarHBondContact O-N 2.84Å; N1105-Q1108 PolarHBondContact O-N 3.47Å
1109L50.8Low52.4Low105 Ų10577 Ų7755%0.5538%0.382SS..Iπ-helixtrans-106.8-11.4-176.9-74.4164.3000114.1N1105 Q1107N1105-L1109 HydrophobicContact CB-CD1 4.07Å; N1105-L1109 WeakPolarHBondContact O-CA 3.03Å; N1105-L1109 WeakPolarHBondContact O-CB 3.33Å; N1105-L1109 PolarHBondContact O-N 3.12Å; N1105-L1109 VanDerWaalsContact OD1-CD1 3.25Å; N1105-L1109 WeakPolarHBondContact OD1-CD1 3.42Å; Q1107-L1109 PolarHBondContact O-N 2.94Å
1110F51.9Low51.9Low36 Ų3680.6 Ų80.616%0.15840%0.403CS..Iπ-helixtrans-134.7-47-174.8-46.2-97.5000113.5N1105 Y1106 M1114 F1123N1105-F1110 WeakPolarHBondContact O-CD2 3.39Å; Y1106-F1110 HydrophobicContact CD2-CB 4.25Å; Y1106-F1110 HydrophobicContact CD2-CD2 4.32Å; Y1106-F1110 HydrophobicContact CD2-CG 4.45Å; Y1106-F1110 WeakPolarHBondContact O-CB 3.34Å; Y1106-F1110 PolarHBondContact O-N 3.43Å; F1110-M1114 VanDerWaalsContact O-CB 3.27Å; F1110-M1114 WeakPolarHBondContact O-CB 3.41Å; F1110-M1114 WeakPolarHBondContact O-CG 3.45Å; F1110-M1114 PolarHBondContact O-N 3.02Å; F1110-F1123 HydrophobicContact CD1-CB 4Å; F1110-F1123 HydrophobicContact CE1-CB 3.97Å; F1110-F1123 WeakPolarHBondContact CE1-O 3.21Å
1111I51.3Low51.5Low17 Ų1782 Ų829%0.08741%0.408CS..Iπ-helixtrans-73.1-54.3177.9-66.4174000111.1Y1106 Q1107 M1114 L1115Y1106-I1111 HydrophobicContact CD1-CD1 3.73Å; Y1106-I1111 HydrophobicContact CD1-CG1 4.28Å; Y1106-I1111 HydrophobicContact CE1-CD1 3.69Å; Y1106-I1111 HydrophobicContact CE1-CG1 4.15Å; Y1106-I1111 PolarHBondContact O-N 2.81Å; Q1107-I1111 HydrophobicContact CG-CD1 4.39Å; Q1107-I1111 PolarHBondContact O-N 2.89Å; Q1107-I1111 VanDerWaalsContact O-N 3.15Å; I1111-M1114 CarbonylContact O-C 3.54Å; I1111-M1114 PolarHBondContact O-N 2.94Å; I1111-L1115 HydrophobicContact CG2-CD1 3.66Å; I1111-L1115 HydrophobicContact CG2-CG 4.17Å; I1111-L1115 PolarHBondContact O-N 3.11Å
1112D53.8Low50.9Low66 Ų6681.1 Ų81.135%0.35341%0.413SS..Hα-helixtrans-61.7-45.7-176-57.3-38.6000111.1Q1107 M1114 L1115 Y1116Q1107-D1112 PolarHBondContact O-N 3.2Å; D1112-M1114 VanDerWaalsContact C-N 3.27Å; D1112-M1114 PolarHBondContact O-N 3.15Å; D1112-L1115 PolarHBondContact O-N 3.47Å; D1112-Y1116 WeakPolarHBondContact O-CD2 3.33Å; D1112-Y1116 PolarHBondContact O-N 2.75Å; D1112-Y1116 VanDerWaalsContact O-N 3.08Å
1113P48.4Very low50.4Low65 Ų6584.5 Ų84.542%0.42243%0.43SS..Hα-helixtrans-63.2-24.4173.9-24.737.5000114.8G1117P1113-G1117 CarbonylContact O-C 3.47Å; P1113-G1117 WeakPolarHBondContact O-CA 3.5Å; P1113-G1117 PolarHBondContact O-N 3.39Å; P1113-G1117 VanDerWaalsContact O-O 3.12Å
1114M45.5Very low50.4Low43 Ų4381.7 Ų81.721%0.21242%0.416CS..Hα-helixtrans-88.3-22.9175-75.1-173.4174.500114.1W524 F1110 I1111 D1112 F1124W524-M1114 HydrophobicContact CD2-SD 4.39Å; W524-M1114 HydrophobicContact CH2-CB 3.81Å; W524-M1114 HydrophobicContact CH2-SD 4.25Å; W524-M1114 HydrophobicContact CZ2-CB 4.37Å; W524-M1114 HydrophobicContact CZ2-SD 3.84Å; W524-M1114 HydrophobicContact CZ3-CB 3.89Å; F1110-M1114 VanDerWaalsContact O-CB 3.27Å; F1110-M1114 WeakPolarHBondContact O-CB 3.41Å; F1110-M1114 WeakPolarHBondContact O-CG 3.45Å; F1110-M1114 PolarHBondContact O-N 3.02Å; I1111-M1114 CarbonylContact O-C 3.54Å; I1111-M1114 PolarHBondContact O-N 2.94Å; D1112-M1114 VanDerWaalsContact C-N 3.27Å; D1112-M1114 PolarHBondContact O-N 3.15Å; M1114-F1124 HydrophobicContact CE-CB 4.33Å; M1114-F1124 HydrophobicContact CE-CD2 4.07Å; M1114-F1124 HydrophobicContact SD-CD2 4.13Å
1115L49.3Very low50.9Low96 Ų9677.4 Ų77.450%0.50340%0.4SS..Hα-helixtrans-75.4-38171.9-77.8172.9000111.6P526 I1111 D1112P526-L1115 HydrophobicContact CG-CD2 4.46Å; I1111-L1115 HydrophobicContact CG2-CD1 3.66Å; I1111-L1115 HydrophobicContact CG2-CG 4.17Å; I1111-L1115 PolarHBondContact O-N 3.11Å; D1112-L1115 PolarHBondContact O-N 3.47Å
1116Y51Low51.8Low96 Ų9679.4 Ų79.438%0.37641%0.405SS..Hα-helixtrans-98.3-32.7-178.8-61.3-66.7000113.5L690 D1112L690-Y1116 WeakPolarHBondContact CD2-O 3.35Å; D1112-Y1116 WeakPolarHBondContact O-CD2 3.33Å; D1112-Y1116 PolarHBondContact O-N 2.75Å; D1112-Y1116 VanDerWaalsContact O-N 3.08Å
1117G45.1Very low52.8Low24 Ų2477.9 Ų77.925%0.24740%0.402CS..  trans-105.8117.3-176.200000113.9P1113 T1119P1113-G1117 CarbonylContact O-C 3.47Å; P1113-G1117 WeakPolarHBondContact O-CA 3.5Å; P1113-G1117 PolarHBondContact O-N 3.39Å; P1113-G1117 VanDerWaalsContact O-O 3.12Å; G1117-T1119 PolarHBondContact O-N 3.25Å; G1117-T1119 VanDerWaalsContact O-N 3.14Å
1118N48.1Very low53.8Low155 Ų15575.2 Ų75.283%0.82939%0.394SS*.  trans-80.611.7-175.4-149.117.5000114.3
1119T43.8Very low54.8Low114 Ų11474 Ų7470%0.69939%0.386SS*.SBendtrans-150.376.7-164.254.10000114.1G1117G1117-T1119 PolarHBondContact O-N 3.25Å; G1117-T1119 VanDerWaalsContact O-N 3.14Å
1120T41.1Very low55.8Low91 Ų9171.6 Ų71.656%0.55838%0.379SS*.  trans174.2100.5137.328.30000110.9S1122T1120-S1122 PolarHBondContact O-N 2.91Å
1121E48.1Very low56.4Low121 Ų12175.2 Ų75.257%0.56540%0.403SS*.G310 helixtrans-70.4-12.9173.6-61.3-164.612100113.7K520 F1123 F1124K520-E1121 IonicContact NZ-OE1 3.74Å; K520-E1121 PolarHBondContact NZ-OE1 2.82Å; K520-E1121 IonicContact NZ-OE2 3.41Å; K520-E1121 PolarHBondContact NZ-OE2 3.49Å; E1121-F1123 VanDerWaalsContact C-N 3.26Å; E1121-F1123 PolarHBondContact O-N 2.86Å; E1121-F1123 VanDerWaalsContact O-N 3.11Å; E1121-F1124 PolarHBondContact O-N 2.97Å
1122S45Very low56.6Low75 Ų7575.7 Ų75.752%0.52441%0.41SS..G310 helixtrans-67.3-12-163.646.90000116.3T1120T1120-S1122 PolarHBondContact O-N 2.91Å
1123F46.3Very low56.5Low140 Ų14077.1 Ų77.161%0.61443%0.425SS*.G310 helixtrans-95.1-12.9-177.6-69.2-74.7000114.4F1110 E1121 R1125F1110-F1123 HydrophobicContact CD1-CB 4Å; F1110-F1123 HydrophobicContact CE1-CB 3.97Å; F1110-F1123 WeakPolarHBondContact CE1-O 3.21Å; E1121-F1123 VanDerWaalsContact C-N 3.26Å; E1121-F1123 PolarHBondContact O-N 2.86Å; E1121-F1123 VanDerWaalsContact O-N 3.11Å; F1123-R1125 PolarHBondContact O-N 2.8Å
1124F57.8Low56.5Low19 Ų1976.6 Ų76.68%0.08342%0.422CS..  trans-66.1118.5-168.7-157.8-90.6000113.2W524 Y1106 M1114 E1121 Y1126 N1203 Q1205W524-F1124 HydrophobicContact CZ2-CE2 4.41Å; W524-F1124 AromaticContact NE1-CE2 3.88Å; Y1106-F1124 AromaticContact CE2-CE2 3.99Å; Y1106-F1124 HydrophobicContact CE2-CE2 3.99Å; Y1106-F1124 HydrophobicContact CE2-CZ 4.15Å; Y1106-F1124 VanDerWaalsContact OH-CZ 3.26Å; Y1106-F1124 WeakPolarHBondContact OH-CZ 3.11Å; M1114-F1124 HydrophobicContact CE-CB 4.33Å; M1114-F1124 HydrophobicContact CE-CD2 4.07Å; M1114-F1124 HydrophobicContact SD-CD2 4.13Å; E1121-F1124 PolarHBondContact O-N 2.97Å; F1124-Y1126 HydrophobicContact CB-CE2 4.5Å; F1124-Y1126 HydrophobicContact CD1-CD1 4.04Å; F1124-Y1126 AromaticContact CD1-CE1 3.68Å; F1124-Y1126 HydrophobicContact CD1-CE1 3.68Å; F1124-Y1126 HydrophobicContact CD1-CE2 4.19Å; F1124-Y1126 HydrophobicContact CD1-CG 4.46Å; F1124-Y1126 AromaticContact CD1-CZ 3.76Å; F1124-Y1126 HydrophobicContact CE1-CD1 4.25Å; F1124-Y1126 HydrophobicContact CE1-CE1 4Å; F1124-Y1126 WeakPolarHBondContact O-CD2 3.47Å; F1124-N1203 VanDerWaalsContact CE1-ND2 3.26Å; F1124-N1203 WeakPolarHBondContact CE1-ND2 3.24Å; F1124-N1203 VanDerWaalsContact CZ-ND2 3.33Å; F1124-N1203 WeakPolarHBondContact CZ-ND2 3.25Å; F1124-Q1205 HydrophobicContact CE1-CB 3.87Å; F1124-Q1205 HydrophobicContact CE1-CG 4.32Å; F1124-Q1205 HydrophobicContact CZ-CB 4.05Å; F1124-Q1205 HydrophobicContact CZ-CG 4.01Å
1125R66.2Low56.4Low81 Ų8177.7 Ų77.731%0.30643%0.432SS..  trans-85.2117.6179.1-73-173.4170.8-153.8-8111.6R1093 F1123 N1203R1093-R1125 PolarHBondContact O-NH2 2.8Å; F1123-R1125 PolarHBondContact O-N 2.8Å; R1125-N1203 PolarHBondContact O-ND2 3.11Å
1126Y75.7Confident56.2Low79 Ų7982.2 Ų82.231%0.3145%0.451SS..  trans-87.6-14179-67.3-76.3000115F1124 N1203F1124-Y1126 HydrophobicContact CB-CE2 4.5Å; F1124-Y1126 HydrophobicContact CD1-CD1 4.04Å; F1124-Y1126 AromaticContact CD1-CE1 3.68Å; F1124-Y1126 HydrophobicContact CD1-CE1 3.68Å; F1124-Y1126 HydrophobicContact CD1-CE2 4.19Å; F1124-Y1126 HydrophobicContact CD1-CG 4.46Å; F1124-Y1126 AromaticContact CD1-CZ 3.76Å; F1124-Y1126 HydrophobicContact CE1-CD1 4.25Å; F1124-Y1126 HydrophobicContact CE1-CE1 4Å; F1124-Y1126 WeakPolarHBondContact O-CD2 3.47Å; Y1126-N1203 PolarHBondContact O-N 2.84Å
1127G77.3Confident55.9Low10 Ų1083.4 Ų83.410%0.10347%0.47CS..EExtended strand (participates in β ladder)trans-177.5-173.9-17900000114.6W1201 Y1213G1127-W1201 CarbonylContact C-O 3.56Å; G1127-W1201 WeakPolarHBondContact CA-O 3.44Å; G1127-Y1213 PolarHBondContact N-OH 3.04Å
1128G77.9Confident55.9Low14 Ų1488.3 Ų88.314%0.14448%0.482CS..EExtended strand (participates in β ladder)trans178.6-175.217500000111W1201 Y1213G1128-W1201 PolarHBondContact N-O 3.27Å; G1128-W1201 PolarHBondContact O-N 2.84Å; G1128-W1201 VanDerWaalsContact O-O 3.08Å; G1128-Y1213 VanDerWaalsContact N-CE1 3.35Å
1129F76.4Confident55.8Low106 Ų10687.3 Ų87.347%0.46548%0.481SS..EExtended strand (participates in β ladder)trans-147.1151.4177.818.7-101.6000111.1K1199 Y1213 A1216F1129-K1199 CarbonylContact C-O 3.56Å; F1129-K1199 WeakPolarHBondContact CA-O 3.38Å; F1129-Y1213 HydrophobicContact CD1-CD1 4.14Å; F1129-Y1213 AromaticContact CE1-CD1 3.97Å; F1129-Y1213 HydrophobicContact CE1-CD1 3.97Å; F1129-Y1213 HydrophobicContact CE1-CE1 4.43Å; F1129-A1216 HydrophobicContact CE1-CB 4.34Å
1130S71.5Confident55.9Low56 Ų5688.4 Ų88.439%0.39248%0.478SS..EExtended strand (participates in β ladder)trans-125.6129.9173.1-55.70000109.3K1199 W1201S1130-K1199 PolarHBondContact N-O 3.48Å; S1130-K1199 PolarHBondContact O-N 2.83Å; S1130-W1201 PolarHBondContact OG-NE1 3.24Å
1131V65.3Low56.5Low111 Ų11186.8 Ų86.867%0.67347%0.466SS*.EExtended strand (participates in β ladder)trans-96.6130.7173.6-171.10000108Y1198V1131-Y1198 HydrophobicContact CB-CD1 4.41Å; V1131-Y1198 HydrophobicContact CB-CE1 4.37Å; V1131-Y1198 HydrophobicContact CG1-CD1 4.18Å; V1131-Y1198 HydrophobicContact CG1-CE1 3.81Å; V1131-Y1198 HydrophobicContact CG2-CD1 3.88Å; V1131-Y1198 HydrophobicContact CG2-CE1 3.81Å
1132A56.2Low56.8Low27 Ų2785.1 Ų85.122%0.22346%0.461CS..EExtended strand (participates in β ladder)trans-129.3118.2175.900000110.3L36 N1197L36-A1132 HydrophobicContact CD1-CB 4.19Å; A1132-N1197 PolarHBondContact N-O 3.18Å
1133S50.8Low57.2Low96 Ų9684.6 Ų84.667%0.67146%0.457SS*.PPolyproline II helixtrans-68.2135.6165.248.20000109.5
1134P48.4Very low57.9Low55 Ų5582.2 Ų82.236%0.35745%0.454SS..PPolyproline II helixtrans-63.8137.6167.228.7-33.2000109E1136 Y1138 Q1196P1134-E1136 PolarHBondContact O-N 2.71Å; P1134-Y1138 HydrophobicContact CB-CD2 4.3Å; P1134-Y1138 HydrophobicContact CB-CE2 4.48Å; P1134-Q1196 HydrophobicContact CG-CG 4.22Å
1135P43.8Very low58.1Low66 Ų6686 Ų8643%0.42947%0.47SS..PPolyproline II helixtrans-65.1132.5177.124.6-33.6000111.1G34 Y1138G34-P1135 WeakPolarHBondContact O-CD 3.36Å; P1135-Y1138 HydrophobicContact CG-CE2 3.95Å; P1135-Y1138 VanDerWaalsContact O-CD2 3.24Å; P1135-Y1138 WeakPolarHBondContact O-CD2 3.45Å
1136E43.9Very low57.9Low191 Ų19183.1 Ų83.189%0.89346%0.461SS*.SBendtrans-76.1152.5174.9-66.2-172.7145.900112P1134P1134-E1136 PolarHBondContact O-N 2.71Å
1137P44.3Very low57.4Low120 Ų12083 Ų8378%0.77946%0.463SS*.  cis-103.8107.3-10.633.9-22.9000110.8V1139P1137-V1139 PolarHBondContact O-N 3.29Å; P1137-V1139 VanDerWaalsContact O-N 3.1Å
1138Y46.6Very low57Low128 Ų12885.8 Ų85.850%0.50248%0.481SS..  trans-65.9111.6163.4-88.6-77.9000109P1134 P1135 E1140P1134-Y1138 HydrophobicContact CB-CD2 4.3Å; P1134-Y1138 HydrophobicContact CB-CE2 4.48Å; P1135-Y1138 HydrophobicContact CG-CE2 3.95Å; P1135-Y1138 VanDerWaalsContact O-CD2 3.24Å; P1135-Y1138 WeakPolarHBondContact O-CD2 3.45Å; Y1138-E1140 PolarHBondContact O-N 3.49Å; Y1138-E1140 VanDerWaalsContact O-N 3.15Å
1139V46.2Very low56.4Low133 Ų13386.4 Ų86.481%0.80648%0.482SS*.  trans-52.9120.9177.2179.10000109.4P1137 L1141P1137-V1139 PolarHBondContact O-N 3.29Å; P1137-V1139 VanDerWaalsContact O-N 3.1Å; V1139-L1141 PolarHBondContact O-N 3.09Å
1140E46Very low55.9Low138 Ų13882.2 Ų82.265%0.64547%0.465SS*.  trans-62.4121.6177.2-73.2-149.29500110.5Y1138 N1142 R1193Y1138-E1140 PolarHBondContact O-N 3.49Å; Y1138-E1140 VanDerWaalsContact O-N 3.15Å; E1140-N1142 PolarHBondContact O-N 2.93Å; E1140-R1193 IonicContact OE1-CZ 2.8Å; E1140-R1193 IonicContact OE1-NH2 3.91Å; E1140-R1193 PolarHBondContact OE1-NH2 3.43Å
1141L52.2Low55.8Low56 Ų5681.8 Ų81.829%0.29346%0.464SS..  trans-65.678.8160.4-96150.2000108.2Q53 V1139 S1143 L1146Q53-L1141 HydrophobicContact CG-CD1 4.06Å; Q53-L1141 HydrophobicContact CG-CD2 4.43Å; Q53-L1141 HydrophobicContact CG-CG 4.44Å; V1139-L1141 PolarHBondContact O-N 3.09Å; L1141-S1143 PolarHBondContact O-N 3.04Å; L1141-S1143 VanDerWaalsContact O-N 3.14Å; L1141-L1146 HydrophobicContact CD2-CD1 4.16Å
1142N54.2Low56.1Low87 Ų8779.3 Ų79.347%0.46545%0.447SS..  trans-60.6115.2178.4-171.1-21.5000108E1140 T1144 K1145 L1146E1140-N1142 PolarHBondContact O-N 2.93Å; N1142-T1144 VanDerWaalsContact CG-OG1 3.32Å; N1142-T1144 PolarHBondContact O-N 3.4Å; N1142-T1144 VanDerWaalsContact O-N 3.16Å; N1142-T1144 PolarHBondContact OD1-OG1 3.45Å; N1142-K1145 HydrophobicContact CB-CB 4.37Å; N1142-K1145 WeakPolarHBondContact O-CA 3.01Å; N1142-K1145 VanDerWaalsContact O-CB 3.31Å; N1142-K1145 WeakPolarHBondContact O-CB 3.23Å; N1142-K1145 PolarHBondContact O-N 2.84Å; N1142-L1146 PolarHBondContact O-N 3.28Å
1143S53.5Low56.7Low63 Ų6379.6 Ų79.644%0.44144%0.444SS..Hα-helixtrans-58.3-34.3-169.252.30000112.4L1141 K1145 L1146 H1147L1141-S1143 PolarHBondContact O-N 3.04Å; L1141-S1143 VanDerWaalsContact O-N 3.14Å; S1143-K1145 VanDerWaalsContact C-N 3.31Å; S1143-K1145 PolarHBondContact O-N 3.24Å; S1143-L1146 PolarHBondContact O-N 3.37Å; S1143-H1147 WeakPolarHBondContact O-CB 3.39Å; S1143-H1147 PolarHBondContact O-CD2 2.88Å; S1143-H1147 VanDerWaalsContact O-CD2 3.26Å; S1143-H1147 PolarHBondContact O-N 3.17Å
1144T62.1Low57.5Low91 Ų9178.6 Ų78.656%0.55843%0.429SS*.Hα-helixtrans-57.9-40.4173.460.90000112.7N1142 H1147 S1148N1142-T1144 VanDerWaalsContact CG-OG1 3.32Å; N1142-T1144 PolarHBondContact O-N 3.4Å; N1142-T1144 VanDerWaalsContact O-N 3.16Å; N1142-T1144 PolarHBondContact OD1-OG1 3.45Å; T1144-H1147 WeakPolarHBondContact O-CB 3.43Å; T1144-S1148 PolarHBondContact O-N 3.3Å; T1144-S1148 VanDerWaalsContact O-N 3.07Å
1145K62.6Low58.5Low97 Ų9778.8 Ų78.842%0.42244%0.436SS..Hα-helixtrans-70.6-47.7179.7-153.1-176.9-170.3-166.20110.2D55 N1142 S1143 H1147 S1148 T1149D55-K1145 WeakPolarHBondContact OD1-CE 3.49Å; D55-K1145 IonicContact OD1-NZ 3.9Å; D55-K1145 PolarHBondContact OD1-NZ 2.92Å; D55-K1145 IonicContact OD2-NZ 3.26Å; D55-K1145 PolarHBondContact OD2-NZ 3.04Å; N1142-K1145 HydrophobicContact CB-CB 4.37Å; N1142-K1145 WeakPolarHBondContact O-CA 3.01Å; N1142-K1145 VanDerWaalsContact O-CB 3.31Å; N1142-K1145 WeakPolarHBondContact O-CB 3.23Å; N1142-K1145 PolarHBondContact O-N 2.84Å; S1143-K1145 VanDerWaalsContact C-N 3.31Å; S1143-K1145 PolarHBondContact O-N 3.24Å; K1145-H1147 PolarHBondContact O-N 3.37Å; K1145-S1148 WeakPolarHBondContact O-CB 3.47Å; K1145-S1148 PolarHBondContact O-N 2.81Å; K1145-S1148 VanDerWaalsContact O-N 3.07Å; K1145-S1148 PolarHBondContact O-OG 3.35Å; K1145-T1149 PolarHBondContact O-N 2.85Å; K1145-T1149 PolarHBondContact O-OG1 2.73Å; K1145-T1149 VanDerWaalsContact O-OG1 3.05Å
1146L62Low59.8Low22 Ų2275.8 Ų75.812%0.11542%0.417CS..Hα-helixtrans-58.8-45.6175.9-169.876.2000111.9L1141 N1142 S1143 S1148 T1149 L1150 L1189L1141-L1146 HydrophobicContact CD2-CD1 4.16Å; N1142-L1146 PolarHBondContact O-N 3.28Å; S1143-L1146 PolarHBondContact O-N 3.37Å; L1146-S1148 VanDerWaalsContact C-N 3.31Å; L1146-S1148 PolarHBondContact O-N 3Å; L1146-T1149 PolarHBondContact O-N 3.41Å; L1146-L1150 HydrophobicContact CD2-CD1 4.41Å; L1146-L1150 HydrophobicContact CG-CD1 4.08Å; L1146-L1150 HydrophobicContact CG-CG 4.48Å; L1146-L1150 WeakPolarHBondContact O-CG 3.32Å; L1146-L1150 PolarHBondContact O-N 3.04Å; L1146-L1189 HydrophobicContact CD1-CD1 4.29Å; L1146-L1189 HydrophobicContact CD2-CB 3.99Å; L1146-L1189 HydrophobicContact CD2-CD1 4.18Å
1147H64.1Low61Low76 Ų7668.8 Ų68.835%0.35239%0.389SS..Hα-helixtrans-52.1-48.5171.6-92.3-68.9000111.7S1143 T1144 K1145 T1149 L1150 A1151 Q1186S1143-H1147 WeakPolarHBondContact O-CB 3.39Å; S1143-H1147 PolarHBondContact O-CD2 2.88Å; S1143-H1147 VanDerWaalsContact O-CD2 3.26Å; S1143-H1147 PolarHBondContact O-N 3.17Å; T1144-H1147 WeakPolarHBondContact O-CB 3.43Å; K1145-H1147 PolarHBondContact O-N 3.37Å; H1147-T1149 PolarHBondContact O-N 3.02Å; H1147-L1150 PolarHBondContact O-N 3.29Å; H1147-A1151 VanDerWaalsContact O-CB 3.31Å; H1147-A1151 WeakPolarHBondContact O-CB 3.23Å; H1147-A1151 PolarHBondContact O-N 3.05Å; H1147-Q1186 VanDerWaalsContact CE1-CD 3.45Å; H1147-Q1186 PolarHBondContact CE1-NE2 3.39Å; H1147-Q1186 PolarHBondContact CE1-OE1 3.39Å; H1147-Q1186 PolarHBondContact ND1-OE1 3.4Å; H1147-Q1186 PolarHBondContact NE2-NE2 3.06Å; H1147-Q1186 PolarHBondContact NE2-OE1 2.99Å
1148S68Low62.1Low68 Ų6866.1 Ų66.148%0.47637%0.373SS..Hα-helixtrans-62.9-41.6-178.6770000112.1T1144 K1145 L1146 L1152T1144-S1148 PolarHBondContact O-N 3.3Å; T1144-S1148 VanDerWaalsContact O-N 3.07Å; K1145-S1148 WeakPolarHBondContact O-CB 3.47Å; K1145-S1148 PolarHBondContact O-N 2.81Å; K1145-S1148 VanDerWaalsContact O-N 3.07Å; K1145-S1148 PolarHBondContact O-OG 3.35Å; L1146-S1148 VanDerWaalsContact C-N 3.31Å; L1146-S1148 PolarHBondContact O-N 3Å; S1148-L1152 WeakPolarHBondContact O-CB 3.3Å; S1148-L1152 PolarHBondContact O-N 3.35Å
1149T67.2Low63.4Low28 Ų2861.6 Ų61.617%0.17236%0.36CS..Hα-helixtrans-66.4-43.8177.6-46.10000111.7K1145 L1146 H1147 L1152 L1153K1145-T1149 PolarHBondContact O-N 2.85Å; K1145-T1149 PolarHBondContact O-OG1 2.73Å; K1145-T1149 VanDerWaalsContact O-OG1 3.05Å; L1146-T1149 PolarHBondContact O-N 3.41Å; H1147-T1149 PolarHBondContact O-N 3.02Å; T1149-L1152 PolarHBondContact O-N 3.13Å; T1149-L1153 HydrophobicContact CG2-CD1 4.36Å; T1149-L1153 WeakPolarHBondContact O-CB 3.25Å; T1149-L1153 VanDerWaalsContact O-CG 3.28Å; T1149-L1153 WeakPolarHBondContact O-CG 3.32Å; T1149-L1153 PolarHBondContact O-N 2.85Å
1150L65.9Low64.7Low18 Ų1856.8 Ų56.89%0.09433%0.328CS..Hα-helixtrans-66.7-44178.1-70.7173.5000112.3L1146 H1147 L1152 L1153 Q1154 T1182 V1185 Q1186 L1189L1146-L1150 HydrophobicContact CD2-CD1 4.41Å; L1146-L1150 HydrophobicContact CG-CD1 4.08Å; L1146-L1150 HydrophobicContact CG-CG 4.48Å; L1146-L1150 WeakPolarHBondContact O-CG 3.32Å; L1146-L1150 PolarHBondContact O-N 3.04Å; H1147-L1150 PolarHBondContact O-N 3.29Å; L1150-L1152 VanDerWaalsContact C-N 3.34Å; L1150-L1152 PolarHBondContact O-N 2.85Å; L1150-L1153 PolarHBondContact O-N 2.83Å; L1150-Q1154 WeakPolarHBondContact O-CB 3.27Å; L1150-Q1154 PolarHBondContact O-N 3.06Å; L1150-T1182 HydrophobicContact CB-CG2 4.15Å; L1150-V1185 HydrophobicContact CD1-CB 4.46Å; L1150-V1185 HydrophobicContact CD1-CG1 4.2Å; L1150-V1185 HydrophobicContact CD2-CB 4.44Å; L1150-V1185 HydrophobicContact CD2-CG1 3.65Å; L1150-Q1186 HydrophobicContact CD1-CB 4.43Å; L1150-L1189 HydrophobicContact CD1-CD1 4.2Å; L1150-L1189 HydrophobicContact CD2-CD1 4.31Å
1151A67.8Low65.8Low47 Ų4753.9 Ų53.939%0.38832%0.316SS..Hα-helixtrans-63.7-40.1176.800000111.9H1147 Q1154 A1155 T1182H1147-A1151 VanDerWaalsContact O-CB 3.31Å; H1147-A1151 WeakPolarHBondContact O-CB 3.23Å; H1147-A1151 PolarHBondContact O-N 3.05Å; A1151-Q1154 PolarHBondContact O-N 3.42Å; A1151-A1155 VanDerWaalsContact O-CB 3.31Å; A1151-A1155 WeakPolarHBondContact O-CB 3.39Å; A1151-A1155 PolarHBondContact O-N 3.06Å; A1151-T1182 HydrophobicContact CB-CG2 4.3Å
1152L72Confident66.8Low59 Ų5955.4 Ų55.431%0.30933%0.328SS..Hα-helixtrans-64-41.9174.9172.1142.1000112G58 A62 S1148 T1149 L1150 A1156G58-L1152 WeakPolarHBondContact O-CD2 3.06Å; A62-L1152 HydrophobicContact CB-CD2 3.47Å; A62-L1152 VanDerWaalsContact CB-CD2 3.47Å; A62-L1152 HydrophobicContact CB-CG 3.92Å; S1148-L1152 WeakPolarHBondContact O-CB 3.3Å; S1148-L1152 PolarHBondContact O-N 3.35Å; T1149-L1152 PolarHBondContact O-N 3.13Å; L1150-L1152 VanDerWaalsContact C-N 3.34Å; L1150-L1152 PolarHBondContact O-N 2.85Å; L1152-A1156 VanDerWaalsContact O-CB 3.32Å; L1152-A1156 WeakPolarHBondContact O-CB 3.43Å; L1152-A1156 PolarHBondContact O-N 3.08Å
1153L69.3Low67.7Low32 Ų3253.5 Ų53.517%0.16832%0.318CS..Hα-helixtrans-63.8-43.7173.1-76.2169.1000112.3V61 T1149 L1150 A1156 S1157V61-L1153 HydrophobicContact CB-CD2 3.64Å; V61-L1153 HydrophobicContact CG1-CD2 3.45Å; V61-L1153 VanDerWaalsContact CG1-CD2 3.45Å; V61-L1153 HydrophobicContact CG2-CD2 4.46Å; T1149-L1153 HydrophobicContact CG2-CD1 4.36Å; T1149-L1153 WeakPolarHBondContact O-CB 3.25Å; T1149-L1153 VanDerWaalsContact O-CG 3.28Å; T1149-L1153 WeakPolarHBondContact O-CG 3.32Å; T1149-L1153 PolarHBondContact O-N 2.85Å; L1150-L1153 PolarHBondContact O-N 2.83Å; L1153-A1156 PolarHBondContact O-N 3.15Å; L1153-S1157 WeakPolarHBondContact O-CB 3.44Å; L1153-S1157 PolarHBondContact O-N 3.3Å; L1153-S1157 PolarHBondContact O-OG 2.76Å
1154Q67.7Low68.5Low75 Ų7550.6 Ų50.635%0.3530%0.298SS..Hα-helixtrans-67.5-40.4179.2-167.6-169.43.900112.2L1150 A1151 S1157 S1158 F1180L1150-Q1154 WeakPolarHBondContact O-CB 3.27Å; L1150-Q1154 PolarHBondContact O-N 3.06Å; A1151-Q1154 PolarHBondContact O-N 3.42Å; Q1154-S1157 PolarHBondContact O-OG 3.37Å; Q1154-S1158 WeakPolarHBondContact O-CB 3.42Å; Q1154-S1158 PolarHBondContact O-N 2.68Å; Q1154-S1158 PolarHBondContact O-OG 3.41Å; Q1154-F1180 PolarHBondContact NE2-O 3.36Å
1155A70Confident68.9Low60 Ų6051.1 Ų51.150%0.49629%0.294SS..Hα-helixtrans-64.6-41.8174.800000111.4A1151 S1158 S1159A1151-A1155 VanDerWaalsContact O-CB 3.31Å; A1151-A1155 WeakPolarHBondContact O-CB 3.39Å; A1151-A1155 PolarHBondContact O-N 3.06Å; A1155-S1158 PolarHBondContact O-OG 2.84Å; A1155-S1159 WeakPolarHBondContact O-CB 3.27Å; A1155-S1159 PolarHBondContact O-N 2.82Å
1156A69.5Low68.9Low3 Ų347.4 Ų47.43%0.02528%0.279CS..Hα-helixtrans-69-40177.500000113A62 L65 L1152 L1153 F1160A62-A1156 HydrophobicContact CB-CB 3.67Å; L65-A1156 HydrophobicContact CB-CB 4.16Å; L65-A1156 HydrophobicContact CD1-CB 3.82Å; L1152-A1156 VanDerWaalsContact O-CB 3.32Å; L1152-A1156 WeakPolarHBondContact O-CB 3.43Å; L1152-A1156 PolarHBondContact O-N 3.08Å; L1153-A1156 PolarHBondContact O-N 3.15Å; A1156-F1160 VanDerWaalsContact O-CB 3.32Å; A1156-F1160 WeakPolarHBondContact O-CB 3.48Å; A1156-F1160 PolarHBondContact O-N 2.84Å
1157S68.8Low68.9Low44 Ų4449.4 Ų49.431%0.30829%0.289SS..Hα-helixtrans-72.7-41.6-179.666.10000112.6L1153 Q1154 F1160 L1161L1153-S1157 WeakPolarHBondContact O-CB 3.44Å; L1153-S1157 PolarHBondContact O-N 3.3Å; L1153-S1157 PolarHBondContact O-OG 2.76Å; Q1154-S1157 PolarHBondContact O-OG 3.37Å; S1157-F1160 WeakPolarHBondContact O-CB 3.42Å; S1157-F1160 PolarHBondContact O-N 2.75Å; S1157-L1161 WeakPolarHBondContact O-CG 3.34Å; S1157-L1161 PolarHBondContact O-N 3.33Å
1158S68.9Low68.5Low63 Ų6346.9 Ų46.944%0.44128%0.278SS..Hα-helixtrans-65.5-39.9173.956.30000112.4Q1154 A1155 T1162Q1154-S1158 WeakPolarHBondContact O-CB 3.42Å; Q1154-S1158 PolarHBondContact O-N 2.68Å; Q1154-S1158 PolarHBondContact O-OG 3.41Å; A1155-S1158 PolarHBondContact O-OG 2.84Å; S1158-T1162 WeakPolarHBondContact O-CG2 3.48Å; S1158-T1162 PolarHBondContact O-N 3.3Å; S1158-T1162 PolarHBondContact O-OG1 3.01Å
1159S73Confident68.1Low33 Ų3350 Ų5023%0.23128%0.283CS..Hα-helixtrans-57.7-46168.3175.90000111.5N66 A1155 T1162 N1163N66-S1159 PolarHBondContact OD1-OG 3.47Å; A1155-S1159 WeakPolarHBondContact O-CB 3.27Å; A1155-S1159 PolarHBondContact O-N 2.82Å; S1159-T1162 PolarHBondContact O-OG1 3.04Å; S1159-N1163 VanDerWaalsContact O-CB 3.25Å; S1159-N1163 WeakPolarHBondContact O-CB 3.28Å; S1159-N1163 PolarHBondContact O-N 3.43Å; S1159-N1163 PolarHBondContact O-ND2 3.3Å; S1159-N1163 PolarHBondContact OG-ND2 3.48Å
1160F74.9Confident67.5Low32 Ų3252.9 Ų52.914%0.1431%0.31CS..Hα-helixtrans-63.3-53179.3179.3-93.4000112.8L65 V68 V69 L391 A1156 S1157 T1162 N1163 M1164 L1166L65-F1160 HydrophobicContact CB-CB 4.19Å; L65-F1160 HydrophobicContact CB-CD2 4.25Å; L65-F1160 HydrophobicContact CD2-CB 3.87Å; L65-F1160 HydrophobicContact CD2-CD1 3.99Å; L65-F1160 HydrophobicContact CD2-CD2 3.6Å; L65-F1160 HydrophobicContact CD2-CE1 4.39Å; L65-F1160 HydrophobicContact CD2-CE2 4.03Å; L65-F1160 HydrophobicContact CD2-CG 3.57Å; L65-F1160 HydrophobicContact CD2-CZ 4.41Å; V68-F1160 HydrophobicContact CB-CE2 4.21Å; V68-F1160 HydrophobicContact CG1-CE2 4.03Å; V69-F1160 HydrophobicContact CG2-CB 4.31Å; V69-F1160 HydrophobicContact CG2-CD2 3.96Å; V69-F1160 HydrophobicContact CG2-CG 4.48Å; L391-F1160 HydrophobicContact CD2-CZ 3.84Å; A1156-F1160 VanDerWaalsContact O-CB 3.32Å; A1156-F1160 WeakPolarHBondContact O-CB 3.48Å; A1156-F1160 PolarHBondContact O-N 2.84Å; S1157-F1160 WeakPolarHBondContact O-CB 3.42Å; S1157-F1160 PolarHBondContact O-N 2.75Å; F1160-T1162 PolarHBondContact O-N 2.98Å; F1160-N1163 PolarHBondContact O-N 2.95Å; F1160-M1164 HydrophobicContact CD1-CG 4.39Å; F1160-M1164 HydrophobicContact CD2-CE 3.89Å; F1160-M1164 HydrophobicContact CD2-CG 4.21Å; F1160-M1164 HydrophobicContact CE1-CG 4.3Å; F1160-M1164 HydrophobicContact CE2-CE 3.54Å; F1160-M1164 HydrophobicContact CE2-CG 4.12Å; F1160-M1164 HydrophobicContact CG-CG 4.35Å; F1160-M1164 HydrophobicContact CZ-CE 4.23Å; F1160-M1164 HydrophobicContact CZ-CG 4.17Å; F1160-M1164 WeakPolarHBondContact O-CB 3.15Å; F1160-M1164 WeakPolarHBondContact O-CG 3.32Å; F1160-M1164 PolarHBondContact O-N 3.32Å; F1160-M1164 VanDerWaalsContact O-N 3.08Å; F1160-L1166 HydrophobicContact CD1-CD1 4.06Å; F1160-L1166 HydrophobicContact CE1-CD1 3.47Å; F1160-L1166 VanDerWaalsContact CE1-CD1 3.47Å; F1160-L1166 HydrophobicContact CZ-CD1 4.24Å
1161L69.1Low66.8Low77 Ų7755 Ų5540%0.40332%0.321SS..Hα-helixtrans-59.2-47-175-69.7169.2000112.2S1157 M1164 E1165 L1166S1157-L1161 WeakPolarHBondContact O-CG 3.34Å; S1157-L1161 PolarHBondContact O-N 3.33Å; L1161-M1164 PolarHBondContact O-N 2.98Å; L1161-E1165 PolarHBondContact O-N 2.94Å; L1161-L1166 HydrophobicContact CD2-CB 3.69Å; L1161-L1166 HydrophobicContact CD2-CD1 4.26Å; L1161-L1166 PolarHBondContact O-N 3.45Å
1162T72.4Confident66Low88 Ų8858 Ų5854%0.5433%0.327SS..Hα-helixtrans-65.4-40.7178.852.50000112.5S1158 S1159 F1160 M1164S1158-T1162 WeakPolarHBondContact O-CG2 3.48Å; S1158-T1162 PolarHBondContact O-N 3.3Å; S1158-T1162 PolarHBondContact O-OG1 3.01Å; S1159-T1162 PolarHBondContact O-OG1 3.04Å; F1160-T1162 PolarHBondContact O-N 2.98Å; T1162-M1164 VanDerWaalsContact C-N 3.32Å; T1162-M1164 PolarHBondContact O-N 3.26Å
1163N72.5Confident65Low48 Ų4861 Ų6126%0.25735%0.349SS..Hα-helixtrans-74.4-18.9-178.9-78.1-62.3000114.5V69 K73 S1159 F1160V69-N1163 HydrophobicContact CB-CB 4.43Å; V69-N1163 HydrophobicContact CG1-CB 3.64Å; V69-N1163 HydrophobicContact CG2-CB 3.85Å; K73-N1163 WeakPolarHBondContact CE-OD1 3.17Å; K73-N1163 PolarHBondContact NZ-OD1 3.04Å; S1159-N1163 VanDerWaalsContact O-CB 3.25Å; S1159-N1163 WeakPolarHBondContact O-CB 3.28Å; S1159-N1163 PolarHBondContact O-N 3.43Å; S1159-N1163 PolarHBondContact O-ND2 3.3Å; S1159-N1163 PolarHBondContact OG-ND2 3.48Å; F1160-N1163 PolarHBondContact O-N 2.95Å
1164M69.9Low64.1Low2 Ų266.8 Ų66.81%0.0138%0.381CS..Hα-helixtrans-98.6-5-177.1-67.8-59.2-171.700115.1V68 V69 T72 K390 L391 F1160 L1161 T1162 L1166V68-M1164 HydrophobicContact CB-CE 4.38Å; V68-M1164 HydrophobicContact CG1-CE 3.73Å; V68-M1164 WeakPolarHBondContact O-CE 3.48Å; V69-M1164 HydrophobicContact CB-CE 4.35Å; V69-M1164 HydrophobicContact CG2-CE 3.89Å; T72-M1164 HydrophobicContact CG2-CE 4.42Å; T72-M1164 HydrophobicContact CG2-SD 3.84Å; K390-M1164 PolarHBondContact N-O 3.06Å; L391-M1164 HydrophobicContact CB-CB 4.48Å; L391-M1164 HydrophobicContact CB-CG 4.42Å; L391-M1164 HydrophobicContact CB-SD 3.94Å; L391-M1164 HydrophobicContact CD1-CE 3.94Å; L391-M1164 HydrophobicContact CD1-SD 4.18Å; F1160-M1164 HydrophobicContact CD1-CG 4.39Å; F1160-M1164 HydrophobicContact CD2-CE 3.89Å; F1160-M1164 HydrophobicContact CD2-CG 4.21Å; F1160-M1164 HydrophobicContact CE1-CG 4.3Å; F1160-M1164 HydrophobicContact CE2-CE 3.54Å; F1160-M1164 HydrophobicContact CE2-CG 4.12Å; F1160-M1164 HydrophobicContact CG-CG 4.35Å; F1160-M1164 HydrophobicContact CZ-CE 4.23Å; F1160-M1164 HydrophobicContact CZ-CG 4.17Å; F1160-M1164 WeakPolarHBondContact O-CB 3.15Å; F1160-M1164 WeakPolarHBondContact O-CG 3.32Å; F1160-M1164 PolarHBondContact O-N 3.32Å; F1160-M1164 VanDerWaalsContact O-N 3.08Å; L1161-M1164 PolarHBondContact O-N 2.98Å; T1162-M1164 VanDerWaalsContact C-N 3.32Å; T1162-M1164 PolarHBondContact O-N 3.26Å; M1164-L1166 VanDerWaalsContact C-N 3.35Å; M1164-L1166 HydrophobicContact CB-CB 4.4Å; M1164-L1166 HydrophobicContact CB-CD1 3.55Å; M1164-L1166 HydrophobicContact CB-CG 3.62Å; M1164-L1166 HydrophobicContact CG-CD1 4.13Å
1165E71Confident63Low101 Ų10165.4 Ų65.447%0.47238%0.378SS..THydrogen-bonded Turntrans59.145-166.5-65.4168.3164.200111.7K390 L1161K390-E1165 HydrophobicContact CD-CG 4.07Å; K390-E1165 WeakPolarHBondContact CD-OE2 3.45Å; K390-E1165 VanDerWaalsContact CE-OE1 3.29Å; K390-E1165 WeakPolarHBondContact CE-OE1 3.24Å; K390-E1165 WeakPolarHBondContact CE-OE2 3.47Å; K390-E1165 VanDerWaalsContact CG-OE2 3.29Å; K390-E1165 WeakPolarHBondContact CG-OE2 3.47Å; K390-E1165 IonicContact NZ-OE1 3.16Å; K390-E1165 PolarHBondContact NZ-OE1 3.37Å; K390-E1165 IonicContact NZ-OE2 2.79Å; K390-E1165 PolarHBondContact NZ-OE2 3.37Å; L1161-E1165 PolarHBondContact O-N 2.94Å
1166L63.7Low61.9Low20 Ų2068.7 Ų68.711%0.10539%0.391CS..  trans-103.727.8175.4-64.3169.8000112.1I385 L391 F1160 L1161 M1164 L1168I385-L1166 VanDerWaalsContact CG2-CA 3.49Å; I385-L1166 HydrophobicContact CG2-CB 4.01Å; I385-L1166 HydrophobicContact CG2-CD2 3.72Å; I385-L1166 HydrophobicContact CG2-CG 4.47Å; L391-L1166 HydrophobicContact CD2-CD1 4.32Å; F1160-L1166 HydrophobicContact CD1-CD1 4.06Å; F1160-L1166 HydrophobicContact CE1-CD1 3.47Å; F1160-L1166 VanDerWaalsContact CE1-CD1 3.47Å; F1160-L1166 HydrophobicContact CZ-CD1 4.24Å; L1161-L1166 HydrophobicContact CD2-CB 3.69Å; L1161-L1166 HydrophobicContact CD2-CD1 4.26Å; L1161-L1166 PolarHBondContact O-N 3.45Å; M1164-L1166 VanDerWaalsContact C-N 3.35Å; M1164-L1166 HydrophobicContact CB-CB 4.4Å; M1164-L1166 HydrophobicContact CB-CD1 3.55Å; M1164-L1166 HydrophobicContact CB-CG 3.62Å; M1164-L1166 HydrophobicContact CG-CD1 4.13Å; L1166-L1168 PolarHBondContact O-N 2.92Å
1167D61.6Low60.8Low64 Ų6471.3 Ų71.334%0.34240%0.404SS..  trans-86.6112.6-171.3-164.1-16.6000112.5K1169 A1170D1167-K1169 PolarHBondContact O-N 3Å; D1167-K1169 VanDerWaalsContact O-N 3.12Å; D1167-K1169 VanDerWaalsContact OD1-CB 3.31Å; D1167-K1169 WeakPolarHBondContact OD1-CB 3.37Å; D1167-K1169 WeakPolarHBondContact OD1-CG 3.32Å; D1167-K1169 PolarHBondContact OD1-N 3.11Å; D1167-A1170 WeakPolarHBondContact O-CB 3.27Å; D1167-A1170 PolarHBondContact O-N 3.36Å; D1167-A1170 VanDerWaalsContact O-N 3.09Å
1168L56.5Low59.8Low23 Ų2371.2 Ų71.212%0.1240%0.403CS..G310 helixtrans-50.7-32173.6-74.8153.2000113.3F374 N378 N381 Y382 I385 L1166 A1170 L1171 L1177F374-L1168 HydrophobicContact CZ-CD1 4.14Å; N378-L1168 HydrophobicContact CB-CD2 4.26Å; N381-L1168 HydrophobicContact CB-CD2 4.29Å; Y382-L1168 HydrophobicContact CD1-CD2 4.24Å; Y382-L1168 HydrophobicContact CE1-CD1 4.06Å; Y382-L1168 HydrophobicContact CE1-CD2 3.85Å; Y382-L1168 HydrophobicContact CE1-CG 4.31Å; I385-L1168 HydrophobicContact CD1-CD2 3.63Å; I385-L1168 HydrophobicContact CD1-CG 3.98Å; L1166-L1168 PolarHBondContact O-N 2.92Å; L1168-A1170 PolarHBondContact O-N 2.85Å; L1168-A1170 VanDerWaalsContact O-N 3.16Å; L1168-L1171 PolarHBondContact O-N 3.03Å; L1168-L1177 HydrophobicContact CD1-CD2 3.86Å
1169K58.2Low58.9Low133 Ų13372.5 Ų72.558%0.57841%0.412SS*.G310 helixtrans-63.8-19.9-178.7-65173.4178176.50113.3D1167 L1171 L1177D1167-K1169 PolarHBondContact O-N 3Å; D1167-K1169 VanDerWaalsContact O-N 3.12Å; D1167-K1169 VanDerWaalsContact OD1-CB 3.31Å; D1167-K1169 WeakPolarHBondContact OD1-CB 3.37Å; D1167-K1169 WeakPolarHBondContact OD1-CG 3.32Å; D1167-K1169 PolarHBondContact OD1-N 3.11Å; K1169-L1171 VanDerWaalsContact C-N 3.33Å; K1169-L1177 HydrophobicContact CG-CD1 4.12Å
1170A54.7Low58Low89 Ų8976.8 Ų76.874%0.73643%0.426SS*.G310 helixtrans-72.6-22.3178.700000113.7D1167 L1168D1167-A1170 WeakPolarHBondContact O-CB 3.27Å; D1167-A1170 PolarHBondContact O-N 3.36Å; D1167-A1170 VanDerWaalsContact O-N 3.09Å; L1168-A1170 PolarHBondContact O-N 2.85Å; L1168-A1170 VanDerWaalsContact O-N 3.16Å
1171L51.5Low57.2Low63 Ų6376.4 Ų76.433%0.3343%0.428SS..THydrogen-bonded Turntrans-96.6-32.7-176.7-86.4148.8000113.8I385 L1168 K1169I385-L1171 HydrophobicContact CD1-CD1 3.89Å; I385-L1171 HydrophobicContact CG1-CD1 3.35Å; L1168-L1171 PolarHBondContact O-N 3.03Å; K1169-L1171 VanDerWaalsContact C-N 3.33Å
1172H51.1Low56.8Low110 Ų11074.8 Ų74.851%0.50942%0.421SS..  trans-144.4113.1173.4-82.5-61.2000112.5N1174 V1175H1172-N1174 PolarHBondContact O-N 2.78Å; H1172-N1174 VanDerWaalsContact O-N 3.12Å; H1172-V1175 HydrophobicContact CB-CB 4.45Å; H1172-V1175 HydrophobicContact CB-CG2 3.64Å; H1172-V1175 PolarHBondContact O-N 2.94Å
1173P51.2Low56.4Low120 Ų12076.8 Ų76.878%0.77942%0.424SS*.THydrogen-bonded Turntrans-60.9-21.7177.5-25.935.1000115.1
1174N49.5Very low56.1Low154 Ų15475.6 Ų75.682%0.82442%0.42SS*.THydrogen-bonded Turntrans-92.9-0.4-174.6-63-7.9000113.5H1172 V1176H1172-N1174 PolarHBondContact O-N 2.78Å; H1172-N1174 VanDerWaalsContact O-N 3.12Å; N1174-V1176 PolarHBondContact O-N 3.15Å; N1174-V1176 VanDerWaalsContact O-N 3.13Å
1175V45.7Very low56Low47 Ų4777.1 Ų77.129%0.28543%0.429SS..  trans-81.993176.7175.80000108.8F374 H1172 L1177F374-V1175 HydrophobicContact CE2-CG1 3.72Å; H1172-V1175 HydrophobicContact CB-CB 4.45Å; H1172-V1175 HydrophobicContact CB-CG2 3.64Å; H1172-V1175 PolarHBondContact O-N 2.94Å; V1175-L1177 PolarHBondContact O-N 3.39Å
1176V46.4Very low55.7Low128 Ų12874 Ų7478%0.77642%0.415SS*.  trans-66.1103.7161.6-179.60000106.8N1174 P1178N1174-V1176 PolarHBondContact O-N 3.15Å; N1174-V1176 VanDerWaalsContact O-N 3.13Å; V1176-P1178 WeakPolarHBondContact O-CD 3.45Å
1177L46Very low56.1Low58 Ų5875.1 Ų75.130%0.30442%0.42SS..PPolyproline II helixtrans-56.5123.3162.7-70.5104.2000107.3F374 L1168 K1169 V1175 S1179F374-L1177 HydrophobicContact CE1-CD2 4.04Å; F374-L1177 HydrophobicContact CE1-CG 4.42Å; F374-L1177 HydrophobicContact CE2-CB 4.33Å; F374-L1177 HydrophobicContact CE2-CG 4.04Å; F374-L1177 HydrophobicContact CZ-CB 4.13Å; F374-L1177 HydrophobicContact CZ-CD2 3.6Å; F374-L1177 HydrophobicContact CZ-CG 3.59Å; L1168-L1177 HydrophobicContact CD1-CD2 3.86Å; K1169-L1177 HydrophobicContact CG-CD1 4.12Å; V1175-L1177 PolarHBondContact O-N 3.39Å; L1177-S1179 PolarHBondContact O-N 3.08Å; L1177-S1179 VanDerWaalsContact O-N 3.16Å
1178P49.1Very low56.4Low42 Ų4272.9 Ų72.927%0.27341%0.409SS..PPolyproline II helixtrans-57.1125.9159.927.5-30.2000105.5F374 V1176 F1180F374-P1178 HydrophobicContact CB-CG 3.54Å; F374-P1178 HydrophobicContact CD1-CG 4.13Å; F374-P1178 HydrophobicContact CD2-CG 4.02Å; F374-P1178 HydrophobicContact CG-CG 3.61Å; V1176-P1178 WeakPolarHBondContact O-CD 3.45Å; P1178-F1180 PolarHBondContact O-N 3.43Å; P1178-F1180 VanDerWaalsContact O-N 3.1Å
1179S48.4Very low57Low91 Ų9173 Ų7364%0.63641%0.409SS*.PPolyproline II helixtrans-55.3123.6-172.746.30000109.3L1177 S1181L1177-S1179 PolarHBondContact O-N 3.08Å; L1177-S1179 VanDerWaalsContact O-N 3.16Å; S1179-S1181 PolarHBondContact O-N 3.09Å
1180F54.5Low57.5Low122 Ų12269.7 Ų69.754%0.53540%0.4SS..  trans-69.666.8174.4-139-78.7000108.4L371 Q1154 P1178L371-F1180 HydrophobicContact CD1-CD2 3.96Å; L371-F1180 HydrophobicContact CD1-CE2 3.63Å; L371-F1180 HydrophobicContact CD1-CZ 4.03Å; Q1154-F1180 PolarHBondContact NE2-O 3.36Å; P1178-F1180 PolarHBondContact O-N 3.43Å; P1178-F1180 VanDerWaalsContact O-N 3.1Å
1181S58.9Low58.3Low24 Ų2466.2 Ų66.217%0.16837%0.369CS..  trans-86.4143.5-161.191.80000110.3S1179 E1183 S1184 V1185S1179-S1181 PolarHBondContact O-N 3.09Å; S1181-E1183 PolarHBondContact O-N 2.81Å; S1181-E1183 PolarHBondContact OG-N 3.13Å; S1181-S1184 PolarHBondContact O-N 3.32Å; S1181-S1184 VanDerWaalsContact OG-CB 3.27Å; S1181-S1184 WeakPolarHBondContact OG-CB 3.33Å; S1181-S1184 PolarHBondContact OG-N 3.35Å; S1181-S1184 PolarHBondContact OG-OG 3.48Å; S1181-V1185 PolarHBondContact O-N 3Å
1182T59.8Low59Low43 Ų4363.8 Ų63.826%0.26436%0.356SS..Hα-helixtrans-57.7-36.6172.440.30000111.5L1150 A1151 Q1186L1150-T1182 HydrophobicContact CB-CG2 4.15Å; A1151-T1182 HydrophobicContact CB-CG2 4.3Å; T1182-Q1186 WeakPolarHBondContact O-CB 3.24Å; T1182-Q1186 PolarHBondContact O-N 2.64Å
1183E65.1Low59.6Low131 Ų13163.1 Ų63.161%0.61235%0.349SS*.Hα-helixtrans-66-48.4-178.8-170166.6-160.400111.7S1181 V1185 Q1186 N1187S1181-E1183 PolarHBondContact O-N 2.81Å; S1181-E1183 PolarHBondContact OG-N 3.13Å; E1183-V1185 PolarHBondContact O-N 2.65Å; E1183-Q1186 CarbonylContact O-C 3.55Å; E1183-Q1186 WeakPolarHBondContact O-CB 3.35Å; E1183-Q1186 PolarHBondContact O-N 3Å; E1183-N1187 WeakPolarHBondContact O-CB 3.45Å; E1183-N1187 PolarHBondContact O-N 3.27Å; E1183-N1187 PolarHBondContact O-ND2 2.89Å; E1183-N1187 PolarHBondContact O-OD1 3.16Å
1184S66.2Low59.9Low23 Ų2359.8 Ų59.816%0.16133%0.328CS..Hα-helixtrans-60.7-45.2177.7-62.10000112.7D367 S1181 Q1186 N1187 I1188D367-S1184 VanDerWaalsContact CG-CA 3.44Å; D367-S1184 VanDerWaalsContact CG-CB 3.48Å; D367-S1184 WeakPolarHBondContact OD1-CA 3.46Å; D367-S1184 WeakPolarHBondContact OD1-CB 3.24Å; D367-S1184 PolarHBondContact OD1-OG 2.98Å; S1181-S1184 PolarHBondContact O-N 3.32Å; S1181-S1184 VanDerWaalsContact OG-CB 3.27Å; S1181-S1184 WeakPolarHBondContact OG-CB 3.33Å; S1181-S1184 PolarHBondContact OG-N 3.35Å; S1181-S1184 PolarHBondContact OG-OG 3.48Å; S1184-Q1186 VanDerWaalsContact C-N 3.34Å; S1184-N1187 PolarHBondContact O-N 3Å; S1184-I1188 WeakPolarHBondContact O-CD1 3.12Å; S1184-I1188 WeakPolarHBondContact O-CG1 3.33Å; S1184-I1188 PolarHBondContact O-N 2.96Å
1185V66.1Low60.6Low34 Ų3453.8 Ų53.821%0.20629%0.294CS..Hα-helixtrans-71.1-33.5178.4-178.90000111L1150 S1181 E1183 L1189L1150-V1185 HydrophobicContact CD1-CB 4.46Å; L1150-V1185 HydrophobicContact CD1-CG1 4.2Å; L1150-V1185 HydrophobicContact CD2-CB 4.44Å; L1150-V1185 HydrophobicContact CD2-CG1 3.65Å; S1181-V1185 PolarHBondContact O-N 3Å; E1183-V1185 PolarHBondContact O-N 2.65Å; V1185-L1189 HydrophobicContact CG1-CD1 3.81Å; V1185-L1189 WeakPolarHBondContact O-CB 3.42Å; V1185-L1189 WeakPolarHBondContact O-CD1 3.27Å; V1185-L1189 VanDerWaalsContact O-CG 3.25Å; V1185-L1189 WeakPolarHBondContact O-CG 3.49Å; V1185-L1189 PolarHBondContact O-N 3.38Å
1186Q66.5Low61.6Low36 Ų3656.5 Ų56.517%0.16830%0.304CS..Hα-helixtrans-67.3-39.3172.7170-179.29.600112.8H1147 L1150 T1182 E1183 S1184 L1189 T1190H1147-Q1186 VanDerWaalsContact CE1-CD 3.45Å; H1147-Q1186 PolarHBondContact CE1-NE2 3.39Å; H1147-Q1186 PolarHBondContact CE1-OE1 3.39Å; H1147-Q1186 PolarHBondContact ND1-OE1 3.4Å; H1147-Q1186 PolarHBondContact NE2-NE2 3.06Å; H1147-Q1186 PolarHBondContact NE2-OE1 2.99Å; L1150-Q1186 HydrophobicContact CD1-CB 4.43Å; T1182-Q1186 WeakPolarHBondContact O-CB 3.24Å; T1182-Q1186 PolarHBondContact O-N 2.64Å; E1183-Q1186 CarbonylContact O-C 3.55Å; E1183-Q1186 WeakPolarHBondContact O-CB 3.35Å; E1183-Q1186 PolarHBondContact O-N 3Å; S1184-Q1186 VanDerWaalsContact C-N 3.34Å; Q1186-L1189 PolarHBondContact O-N 3.13Å; Q1186-T1190 HydrophobicContact CG-CG2 4.08Å; Q1186-T1190 WeakPolarHBondContact O-CB 3.48Å; Q1186-T1190 VanDerWaalsContact O-CG2 3.31Å; Q1186-T1190 WeakPolarHBondContact O-CG2 3.33Å; Q1186-T1190 PolarHBondContact O-N 3.06Å; Q1186-T1190 PolarHBondContact O-OG1 3Å
1187N70.3Confident62.6Low42 Ų4251.5 Ų51.523%0.22527%0.273CS..Hα-helixtrans-59.4-48.6175.9-71.8-17.8000110.2P364 D367 E1183 S1184 L1189 T1190 D1191P364-N1187 HydrophobicContact CB-CB 4.27Å; P364-N1187 HydrophobicContact CG-CB 4.11Å; D367-N1187 WeakPolarHBondContact OD2-CB 3.31Å; D367-N1187 PolarHBondContact OD2-ND2 2.87Å; E1183-N1187 WeakPolarHBondContact O-CB 3.45Å; E1183-N1187 PolarHBondContact O-N 3.27Å; E1183-N1187 PolarHBondContact O-ND2 2.89Å; E1183-N1187 PolarHBondContact O-OD1 3.16Å; S1184-N1187 PolarHBondContact O-N 3Å; N1187-L1189 VanDerWaalsContact C-N 3.34Å; N1187-L1189 PolarHBondContact O-N 3.02Å; N1187-T1190 PolarHBondContact O-N 3.03Å; N1187-T1190 PolarHBondContact O-OG1 2.9Å; N1187-D1191 WeakPolarHBondContact O-CB 3.41Å; N1187-D1191 PolarHBondContact O-N 3.03Å; N1187-D1191 VanDerWaalsContact O-N 3.09Å
1188I69.7Low64.2Low18 Ų1851.2 Ų51.29%0.09227%0.268CS..Hα-helixtrans-57-44174-66.9164.3000111.8F7 P364 D367 F368 S1184 M1192F7-I1188 HydrophobicContact CE2-CB 4.27Å; F7-I1188 HydrophobicContact CE2-CG1 4.17Å; F7-I1188 HydrophobicContact CE2-CG2 3.97Å; F7-I1188 HydrophobicContact CZ-CG1 4.3Å; F7-I1188 HydrophobicContact CZ-CG2 4.2Å; P364-I1188 WeakPolarHBondContact O-CG1 3.46Å; D367-I1188 HydrophobicContact CB-CD1 4.11Å; D367-I1188 HydrophobicContact CB-CG1 4.23Å; F368-I1188 HydrophobicContact CB-CD1 3.89Å; F368-I1188 HydrophobicContact CB-CG1 4.2Å; F368-I1188 HydrophobicContact CD2-CD1 4.49Å; S1184-I1188 WeakPolarHBondContact O-CD1 3.12Å; S1184-I1188 WeakPolarHBondContact O-CG1 3.33Å; S1184-I1188 PolarHBondContact O-N 2.96Å; I1188-M1192 HydrophobicContact CG2-CE 3.54Å; I1188-M1192 WeakPolarHBondContact O-CE 3.4Å; I1188-M1192 PolarHBondContact O-N 2.97Å
1189L67.3Low65.6Low25 Ų2550.1 Ų50.113%0.13126%0.259CS..Hα-helixtrans-79.5-28.3-176.9-69.8166.3000114.5L52 L1146 L1150 V1185 Q1186 N1187 M1192L52-L1189 HydrophobicContact CD1-CD1 3.91Å; L52-L1189 HydrophobicContact CD1-CD2 3.52Å; L52-L1189 HydrophobicContact CD1-CG 4.36Å; L1146-L1189 HydrophobicContact CD1-CD1 4.29Å; L1146-L1189 HydrophobicContact CD2-CB 3.99Å; L1146-L1189 HydrophobicContact CD2-CD1 4.18Å; L1150-L1189 HydrophobicContact CD1-CD1 4.2Å; L1150-L1189 HydrophobicContact CD2-CD1 4.31Å; V1185-L1189 HydrophobicContact CG1-CD1 3.81Å; V1185-L1189 WeakPolarHBondContact O-CB 3.42Å; V1185-L1189 WeakPolarHBondContact O-CD1 3.27Å; V1185-L1189 VanDerWaalsContact O-CG 3.25Å; V1185-L1189 WeakPolarHBondContact O-CG 3.49Å; V1185-L1189 PolarHBondContact O-N 3.38Å; Q1186-L1189 PolarHBondContact O-N 3.13Å; N1187-L1189 VanDerWaalsContact C-N 3.34Å; N1187-L1189 PolarHBondContact O-N 3.02Å; L1189-M1192 HydrophobicContact CD2-CE 4.03Å; L1189-M1192 PolarHBondContact O-N 3.26Å
1190T69.6Low67.3Low64 Ų6445.8 Ų45.839%0.39323%0.229SC..Hα-helixtrans-77.2-32.4175.750.10000112Q1186 N1187 M1192 R1193Q1186-T1190 HydrophobicContact CG-CG2 4.08Å; Q1186-T1190 WeakPolarHBondContact O-CB 3.48Å; Q1186-T1190 VanDerWaalsContact O-CG2 3.31Å; Q1186-T1190 WeakPolarHBondContact O-CG2 3.33Å; Q1186-T1190 PolarHBondContact O-N 3.06Å; Q1186-T1190 PolarHBondContact O-OG1 3Å; N1187-T1190 PolarHBondContact O-N 3.03Å; N1187-T1190 PolarHBondContact O-OG1 2.9Å; T1190-M1192 VanDerWaalsContact C-N 3.25Å; T1190-M1192 PolarHBondContact O-N 2.9Å; T1190-R1193 WeakPolarHBondContact O-CB 3.28Å; T1190-R1193 PolarHBondContact O-N 3.37Å; T1190-R1193 VanDerWaalsContact O-N 3.12Å
1191D71.5Confident68.7Low15 Ų1541.7 Ų41.78%0.0821%0.209CC..Hα-helixtrans-62.7-33.1169.1-173.377000112.2G5 L6 F7 P364 N1187 R1193G5-D1191 WeakPolarHBondContact CA-OD1 3.31Å; L6-D1191 WeakPolarHBondContact CA-OD2 3.44Å; L6-D1191 PolarHBondContact N-OD1 3.05Å; L6-D1191 PolarHBondContact N-OD2 3.4Å; F7-D1191 HydrophobicContact CD2-CB 4.26Å; F7-D1191 VanDerWaalsContact CD2-OD2 3.32Å; F7-D1191 WeakPolarHBondContact CD2-OD2 3.4Å; F7-D1191 PolarHBondContact N-OD2 2.91Å; P364-D1191 HydrophobicContact CB-CB 4.08Å; P364-D1191 HydrophobicContact CG-CB 4.2Å; N1187-D1191 WeakPolarHBondContact O-CB 3.41Å; N1187-D1191 PolarHBondContact O-N 3.03Å; N1187-D1191 VanDerWaalsContact O-N 3.09Å; D1191-R1193 VanDerWaalsContact C-N 3.29Å; D1191-R1193 PolarHBondContact O-N 2.96Å
1192M66.5Low70Confident12 Ų1240.7 Ų40.76%0.05920%0.202CC..THydrogen-bonded Turntrans-78.83.8173-74.4-171-91.200115.1F7 L45 R49 I1188 L1189 T1190F7-M1192 HydrophobicContact CB-CG 3.96Å; F7-M1192 HydrophobicContact CD2-CG 4.46Å; F7-M1192 HydrophobicContact CG-CG 4.44Å; L45-M1192 HydrophobicContact CD1-SD 4.08Å; L45-M1192 HydrophobicContact CD2-SD 3.91Å; L45-M1192 HydrophobicContact CG-SD 3.71Å; R49-M1192 PolarHBondContact NH1-O 3.46Å; I1188-M1192 HydrophobicContact CG2-CE 3.54Å; I1188-M1192 WeakPolarHBondContact O-CE 3.4Å; I1188-M1192 PolarHBondContact O-N 2.97Å; L1189-M1192 HydrophobicContact CD2-CE 4.03Å; L1189-M1192 PolarHBondContact O-N 3.26Å; T1190-M1192 VanDerWaalsContact C-N 3.25Å; T1190-M1192 PolarHBondContact O-N 2.9Å
1193R63.7Low71.1Confident97 Ų9739.4 Ų39.437%0.36619%0.194SC..SBendtrans-70133.7178.6-173.3-179.9173.6159.62.7110.8E1140 T1190 D1191E1140-R1193 IonicContact OE1-CZ 2.8Å; E1140-R1193 IonicContact OE1-NH2 3.91Å; E1140-R1193 PolarHBondContact OE1-NH2 3.43Å; T1190-R1193 WeakPolarHBondContact O-CB 3.28Å; T1190-R1193 PolarHBondContact O-N 3.37Å; T1190-R1193 VanDerWaalsContact O-N 3.12Å; D1191-R1193 VanDerWaalsContact C-N 3.29Å; D1191-R1193 PolarHBondContact O-N 2.96Å
1194P57.5Low71.9Confident50 Ų5033.6 Ų33.633%0.32517%0.167SC..  trans-66.7144.2173.229.7-34.4000111.3
1195K64.4Low72.5Confident27 Ų2732.9 Ų32.912%0.11716%0.161CC..  trans-123.1167.6-176-63.3-178.9-1661770110.5S3 I4 P564 N1197S3-K1195 VanDerWaalsContact O-CD 3.27Å; S3-K1195 WeakPolarHBondContact O-CD 3.13Å; S3-K1195 PolarHBondContact O-NZ 2.83Å; I4-K1195 WeakPolarHBondContact O-CD 3.32Å; I4-K1195 WeakPolarHBondContact O-CE 3.22Å; I4-K1195 PolarHBondContact O-NZ 3.43Å; P564-K1195 HydrophobicContact CB-CD 4.01Å; P564-K1195 HydrophobicContact CB-CG 4.15Å; P564-K1195 WeakPolarHBondContact O-CB 3.49Å; K1195-N1197 PolarHBondContact O-OD1 3.46Å
1196Q65.4Low73.2Confident105 Ų10531.5 Ų31.549%0.49115%0.154SC..EExtended strand (participates in β ladder)trans-68.4135.9166.3-70.4-171.1-600109.1V565 G566 P1134V565-Q1196 CarbonylContact C-O 3.52Å; V565-Q1196 WeakPolarHBondContact CA-O 3.29Å; G566-Q1196 PolarHBondContact N-O 3.36Å; P1134-Q1196 HydrophobicContact CG-CG 4.22Å
1197N69.4Low74.2Confident22 Ų2231 Ų3112%0.11815%0.15CC..EExtended strand (participates in β ladder)trans-121.1129.3-165.1-70.8-32.1000113.1L36 G566 Y568 A1132 K1195L36-N1197 HydrophobicContact CD1-CB 3.84Å; G566-N1197 WeakPolarHBondContact O-CA 3.25Å; Y568-N1197 HydrophobicContact CD2-CB 4.19Å; Y568-N1197 HydrophobicContact CE2-CB 4.47Å; A1132-N1197 PolarHBondContact N-O 3.18Å; K1195-N1197 PolarHBondContact O-OD1 3.46Å
1198Y78Confident75Confident53 Ų5331 Ų3121%0.20816%0.155CC..EExtended strand (participates in β ladder)trans-107134.3168.7-67.2-101.8000109.3V565 G566 Y568 V1131 L1217V565-Y1198 HydrophobicContact CG1-CD2 3.43Å; V565-Y1198 VanDerWaalsContact CG1-CD2 3.43Å; V565-Y1198 HydrophobicContact CG1-CE2 3.53Å; G566-Y1198 PolarHBondContact O-N 2.77Å; Y568-Y1198 PolarHBondContact N-O 2.91Å; V1131-Y1198 HydrophobicContact CB-CD1 4.41Å; V1131-Y1198 HydrophobicContact CB-CE1 4.37Å; V1131-Y1198 HydrophobicContact CG1-CD1 4.18Å; V1131-Y1198 HydrophobicContact CG1-CE1 3.81Å; V1131-Y1198 HydrophobicContact CG2-CD1 3.88Å; V1131-Y1198 HydrophobicContact CG2-CE1 3.81Å; Y1198-L1217 HydrophobicContact CD1-CD1 3.68Å; Y1198-L1217 HydrophobicContact CE1-CD1 4.31Å; Y1198-L1217 HydrophobicContact CG-CD1 4.15Å; Y1198-L1217 HydrophobicContact CG-CD2 4.36Å
1199K78.2Confident75.8Confident19 Ų1930.4 Ų30.48%0.08315%0.153CC..EExtended strand (participates in β ladder)trans-110.3108.7178.7-173.8168.7-179.7167.50109.7D28 Q570 F1129 S1130 W1201D28-K1199 PolarHBondContact O-NZ 2.88Å; Q570-K1199 HydrophobicContact CB-CG 4.31Å; F1129-K1199 CarbonylContact C-O 3.56Å; F1129-K1199 WeakPolarHBondContact CA-O 3.38Å; S1130-K1199 PolarHBondContact N-O 3.48Å; S1130-K1199 PolarHBondContact O-N 2.83Å; K1199-W1201 HydrophobicContact CD-CZ2 4.22Å
1200I85Confident76.9Confident0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-77.3132.8171.3-60.6169.9000108.5I567 Y568 V569 Q570 M1214 L1217I567-I1200 HydrophobicContact CG2-CD1 3.62Å; I567-I1200 HydrophobicContact CG2-CG1 4.17Å; Y568-I1200 PolarHBondContact O-N 2.78Å; V569-I1200 HydrophobicContact CG2-CB 4.17Å; V569-I1200 HydrophobicContact CG2-CD1 4.09Å; Q570-I1200 PolarHBondContact N-O 2.91Å; I1200-M1214 HydrophobicContact CD1-CB 3.76Å; I1200-M1214 HydrophobicContact CD1-CG 3.76Å; I1200-M1214 HydrophobicContact CD1-SD 4.4Å; I1200-L1217 HydrophobicContact CD1-CB 4.48Å; I1200-L1217 HydrophobicContact CD1-CD2 3.86Å; I1200-L1217 HydrophobicContact CG1-CD2 3.68Å
1201W83.3Confident77.9Confident35 Ų3527 Ų2713%0.13313%0.134CC..EExtended strand (participates in β ladder)trans-104.9131.3167-63.187.4000108.8Q570 F572 G1127 G1128 S1130 K1199Q570-W1201 HydrophobicContact CB-CD2 4.29Å; Q570-W1201 HydrophobicContact CB-CE3 3.96Å; Q570-W1201 HydrophobicContact CB-CZ3 4.16Å; Q570-W1201 HydrophobicContact CG-CD2 4.42Å; Q570-W1201 HydrophobicContact CG-CE3 3.69Å; Q570-W1201 HydrophobicContact CG-CH2 3.91Å; Q570-W1201 HydrophobicContact CG-CZ3 3.4Å; Q570-W1201 WeakPolarHBondContact O-CA 3.27Å; F572-W1201 HydrophobicContact CD1-CB 4.31Å; F572-W1201 HydrophobicContact CD1-CE3 4.21Å; F572-W1201 HydrophobicContact CE1-CB 3.82Å; F572-W1201 HydrophobicContact CE1-CG 4.31Å; F572-W1201 HydrophobicContact CE2-CB 4.12Å; F572-W1201 HydrophobicContact CZ-CB 3.73Å; G1127-W1201 CarbonylContact C-O 3.56Å; G1127-W1201 WeakPolarHBondContact CA-O 3.44Å; G1128-W1201 PolarHBondContact N-O 3.27Å; G1128-W1201 PolarHBondContact O-N 2.84Å; G1128-W1201 VanDerWaalsContact O-O 3.08Å; S1130-W1201 PolarHBondContact OG-NE1 3.24Å; K1199-W1201 HydrophobicContact CD-CZ2 4.22Å
1202F85.7Confident78.7Confident4 Ų428.4 Ų28.42%0.01815%0.148CC..EExtended strand (participates in β ladder)trans-135.6149.9179.275.6-76000112.5L536 V569 Q570 Q571 F572 N1204 A1209 L1210L536-F1202 HydrophobicContact CD2-CE2 4.19Å; L536-F1202 HydrophobicContact CD2-CZ 4.12Å; V569-F1202 HydrophobicContact CG1-CD1 3.79Å; V569-F1202 HydrophobicContact CG1-CE1 3.4Å; V569-F1202 VanDerWaalsContact CG1-CE1 3.4Å; V569-F1202 HydrophobicContact CG1-CZ 4.32Å; Q570-F1202 WeakPolarHBondContact O-CD1 3.38Å; Q570-F1202 PolarHBondContact O-N 3.09Å; Q571-F1202 WeakPolarHBondContact CA-O 3.49Å; Q571-F1202 HydrophobicContact CB-CE1 4.5Å; Q571-F1202 HydrophobicContact CG-CE1 3.71Å; Q571-F1202 HydrophobicContact CG-CE2 4.16Å; Q571-F1202 HydrophobicContact CG-CZ 3.47Å; Q571-F1202 VanDerWaalsContact CG-CZ 3.47Å; F572-F1202 PolarHBondContact N-O 3.45Å; F1202-N1204 HydrophobicContact CD2-CB 4.29Å; F1202-N1204 HydrophobicContact CE2-CB 3.93Å; F1202-A1209 HydrophobicContact CB-CB 4.45Å; F1202-L1210 HydrophobicContact CD1-CB 4.5Å; F1202-L1210 HydrophobicContact CD1-CD1 4.28Å; F1202-L1210 HydrophobicContact CD2-CB 3.8Å; F1202-L1210 HydrophobicContact CE2-CB 4.08Å; F1202-L1210 HydrophobicContact CE2-CD2 4.48Å; F1202-L1210 HydrophobicContact CG-CB 4.03Å; F1202-L1210 HydrophobicContact CZ-CD2 4.28Å
1203N83.1Confident79.9Confident15 Ų1530.9 Ų30.98%0.0816%0.157CC..  trans-109.9106.1173.8-166.2-26.9000109F572 Y1106 F1124 R1125 Y1126 Q1205 G1206F572-N1203 HydrophobicContact CD2-CB 3.98Å; Y1106-N1203 PolarHBondContact OH-ND2 3.39Å; F1124-N1203 VanDerWaalsContact CE1-ND2 3.26Å; F1124-N1203 WeakPolarHBondContact CE1-ND2 3.24Å; F1124-N1203 VanDerWaalsContact CZ-ND2 3.33Å; F1124-N1203 WeakPolarHBondContact CZ-ND2 3.25Å; R1125-N1203 PolarHBondContact O-ND2 3.11Å; Y1126-N1203 PolarHBondContact O-N 2.84Å; N1203-Q1205 PolarHBondContact O-N 3.39Å; N1203-Q1205 WeakPolarHBondContact OD1-CB 3.42Å; N1203-Q1205 WeakPolarHBondContact OD1-CG 3.49Å; N1203-Q1205 PolarHBondContact OD1-N 2.95Å; N1203-G1206 PolarHBondContact O-N 2.77Å
1204N82.4Confident81.1Confident9 Ų926.2 Ų26.25%0.04814%0.139CC..THydrogen-bonded Turntrans-67.9-2-173.1-157.642.2000114.5R529 D535 L536 F1202 G1206R529-N1204 HydrophobicContact CB-CB 4.11Å; R529-N1204 WeakPolarHBondContact CD-O 3.37Å; R529-N1204 PolarHBondContact NH1-O 2.82Å; R529-N1204 PolarHBondContact O-ND2 3.35Å; D535-N1204 PolarHBondContact O-ND2 2.76Å; L536-N1204 HydrophobicContact CD2-CB 4.28Å; L536-N1204 WeakPolarHBondContact CD2-ND2 3.37Å; F1202-N1204 HydrophobicContact CD2-CB 4.29Å; F1202-N1204 HydrophobicContact CE2-CB 3.93Å; N1204-G1206 PolarHBondContact O-N 2.64Å
1205Q79.3Confident82.7Confident9 Ų926.5 Ų26.54%0.04214%0.137CC..THydrogen-bonded Turntrans-59.8-33.1165.1-68-7513.700112.2N525 R527 F1124 N1203N525-Q1205 PolarHBondContact O-NE2 2.96Å; R527-Q1205 PolarHBondContact O-NE2 3Å; F1124-Q1205 HydrophobicContact CE1-CB 3.87Å; F1124-Q1205 HydrophobicContact CE1-CG 4.32Å; F1124-Q1205 HydrophobicContact CZ-CB 4.05Å; F1124-Q1205 HydrophobicContact CZ-CG 4.01Å; N1203-Q1205 PolarHBondContact O-N 3.39Å; N1203-Q1205 WeakPolarHBondContact OD1-CB 3.42Å; N1203-Q1205 WeakPolarHBondContact OD1-CG 3.49Å; N1203-Q1205 PolarHBondContact OD1-N 2.95Å
1206G81.5Confident83.8Confident5 Ų527 Ų275%0.05215%0.147CC..BIsolated β-bridgetrans-84.8111.1163.100000108.6I519 N1203 N1204 A1208 A1209I519-G1206 CarbonylContact O-C 3.59Å; I519-G1206 WeakPolarHBondContact O-CA 3.15Å; N1203-G1206 PolarHBondContact O-N 2.77Å; N1204-G1206 PolarHBondContact O-N 2.64Å; G1206-A1208 VanDerWaalsContact C-N 3.27Å; G1206-A1208 PolarHBondContact O-N 3.35Å; G1206-A1209 WeakPolarHBondContact O-CB 3.44Å; G1206-A1209 PolarHBondContact O-N 3.15Å
1207W85.8Confident84.9Confident26 Ų2622.6 Ų22.610%0.09813%0.126CC..THydrogen-bonded Turntrans-60.1-38.4-169.6-6919.4000112.1D514 Q515 Q518 I519 D521 R529 Y538D514-W1207 HydrophobicContact CB-CE3 3.97Å; Q515-W1207 HydrophobicContact CB-CZ3 4.29Å; Q518-W1207 HydrophobicContact CB-CD2 4.46Å; Q518-W1207 HydrophobicContact CB-CE3 3.95Å; Q518-W1207 HydrophobicContact CB-CH2 3.89Å; Q518-W1207 HydrophobicContact CB-CZ2 4.38Å; Q518-W1207 HydrophobicContact CB-CZ3 3.66Å; Q518-W1207 VanDerWaalsContact OE1-CH2 3.24Å; I519-W1207 PolarHBondContact O-N 3.34Å; D521-W1207 PolarHBondContact OD1-NE1 3.35Å; R529-W1207 VanDerWaalsContact NH1-CD1 3.29Å; Y538-W1207 WeakPolarHBondContact CD2-O 3.29Å; Y538-W1207 WeakPolarHBondContact CE2-O 3.18Å
1208A87.1Confident85.7Confident40 Ų4021.9 Ų21.933%0.33112%0.123SC..THydrogen-bonded Turntrans-93.112.3177.600000114.2G1206 L1210 P1211 A1212G1206-A1208 VanDerWaalsContact C-N 3.27Å; G1206-A1208 PolarHBondContact O-N 3.35Å; A1208-L1210 PolarHBondContact O-N 3.06Å; A1208-P1211 WeakPolarHBondContact O-CD 3.26Å; A1208-A1212 WeakPolarHBondContact O-CB 3.38Å; A1208-A1212 PolarHBondContact O-N 2.91Å; A1208-A1212 VanDerWaalsContact O-N 3.12Å
1209A88.2Confident86.2Confident6 Ų620.6 Ų20.65%0.0512%0.12CC..Hα-helixtrans-59.8-46.6-172.300000113F1202 G1206 A1212 Y1213F1202-A1209 HydrophobicContact CB-CB 4.45Å; G1206-A1209 WeakPolarHBondContact O-CB 3.44Å; G1206-A1209 PolarHBondContact O-N 3.15Å; A1209-A1212 PolarHBondContact O-N 3.05Å; A1209-Y1213 WeakPolarHBondContact O-CD2 3.46Å; A1209-Y1213 PolarHBondContact O-N 3.29Å
1210L89.4Confident86.5Confident2 Ų222 Ų221%0.0114%0.135CC..Hα-helixtrans-61.1-55-178.9170.658.5000112.6M1 T539 V569 F1202 A1208 A1212 Y1213 M1214M1-L1210 HydrophobicContact CE-CD1 4.48Å; M1-L1210 HydrophobicContact CE-CD2 4.15Å; T539-L1210 WeakPolarHBondContact OG1-CD2 3.33Å; V569-L1210 HydrophobicContact CB-CD1 4.24Å; V569-L1210 HydrophobicContact CG1-CD1 3.47Å; V569-L1210 VanDerWaalsContact CG1-CD1 3.47Å; V569-L1210 HydrophobicContact CG1-CD2 4Å; V569-L1210 HydrophobicContact CG1-CG 4.39Å; V569-L1210 HydrophobicContact CG2-CD1 3.68Å; F1202-L1210 HydrophobicContact CD1-CB 4.5Å; F1202-L1210 HydrophobicContact CD1-CD1 4.28Å; F1202-L1210 HydrophobicContact CD2-CB 3.8Å; F1202-L1210 HydrophobicContact CE2-CB 4.08Å; F1202-L1210 HydrophobicContact CE2-CD2 4.48Å; F1202-L1210 HydrophobicContact CG-CB 4.03Å; F1202-L1210 HydrophobicContact CZ-CD2 4.28Å; A1208-L1210 PolarHBondContact O-N 3.06Å; L1210-A1212 VanDerWaalsContact C-N 3.29Å; L1210-A1212 PolarHBondContact O-N 3.04Å; L1210-Y1213 PolarHBondContact O-N 3.13Å; L1210-M1214 WeakPolarHBondContact O-CB 3.32Å; L1210-M1214 PolarHBondContact O-N 3Å
1211P90.5Very high86.4Confident15 Ų1523.4 Ų23.410%0.09714%0.14CC..Hα-helixtrans-52.7-42.3173.1-29.835.4000114.4Y538 F543 Q547 A1208 M1214 M1215Y538-P1211 HydrophobicContact CD1-CG 3.49Å; Y538-P1211 VanDerWaalsContact CD1-CG 3.49Å; Y538-P1211 HydrophobicContact CD2-CG 4.36Å; Y538-P1211 HydrophobicContact CE1-CG 3.77Å; Y538-P1211 HydrophobicContact CG-CG 3.82Å; F543-P1211 HydrophobicContact CD1-CG 4.06Å; F543-P1211 HydrophobicContact CE1-CB 4Å; F543-P1211 HydrophobicContact CE1-CG 3.95Å; Q547-P1211 PolarHBondContact NE2-O 2.82Å; Q547-P1211 VanDerWaalsContact NE2-O 3.1Å; A1208-P1211 WeakPolarHBondContact O-CD 3.26Å; P1211-M1214 PolarHBondContact O-N 3.41Å; P1211-M1215 WeakPolarHBondContact O-CB 3.47Å; P1211-M1215 PolarHBondContact O-N 3.42Å
1212A89.3Confident86.4Confident46 Ų4621.7 Ų21.738%0.3813%0.134SC..Hα-helixtrans-68.3-44.3-177.400000112.9A1208 A1209 L1210 M1214 M1215 A1216A1208-A1212 WeakPolarHBondContact O-CB 3.38Å; A1208-A1212 PolarHBondContact O-N 2.91Å; A1208-A1212 VanDerWaalsContact O-N 3.12Å; A1209-A1212 PolarHBondContact O-N 3.05Å; L1210-A1212 VanDerWaalsContact C-N 3.29Å; L1210-A1212 PolarHBondContact O-N 3.04Å; A1212-M1214 VanDerWaalsContact C-N 3.31Å; A1212-M1215 PolarHBondContact O-N 3.4Å; A1212-A1216 WeakPolarHBondContact O-CB 3.29Å; A1212-A1216 PolarHBondContact O-N 3.4Å
1213Y90.1Very high86.3Confident63 Ų6325.3 Ų25.325%0.24715%0.151CC..Hα-helixtrans-73.6-24177.2-82.8-92.3000112.8G1127 G1128 F1129 A1209 L1210 L1217G1127-Y1213 PolarHBondContact N-OH 3.04Å; G1128-Y1213 VanDerWaalsContact N-CE1 3.35Å; F1129-Y1213 HydrophobicContact CD1-CD1 4.14Å; F1129-Y1213 AromaticContact CE1-CD1 3.97Å; F1129-Y1213 HydrophobicContact CE1-CD1 3.97Å; F1129-Y1213 HydrophobicContact CE1-CE1 4.43Å; A1209-Y1213 WeakPolarHBondContact O-CD2 3.46Å; A1209-Y1213 PolarHBondContact O-N 3.29Å; L1210-Y1213 PolarHBondContact O-N 3.13Å; Y1213-L1217 WeakPolarHBondContact O-CB 3.47Å; Y1213-L1217 PolarHBondContact O-N 3.46Å
1214M88.9Confident86.1Confident0 Ų028.4 Ų28.40%018%0.178CC..Hα-helixtrans-73.1-44.7170.5-160.7160.671.500111.8M1 S544 Q547 D548 I1200 L1210 P1211 A1212 A1216 L1217 S1218M1-M1214 HydrophobicContact CG-SD 4.22Å; S544-M1214 WeakPolarHBondContact O-CE 3.4Å; Q547-M1214 HydrophobicContact CB-CE 3.58Å; Q547-M1214 VanDerWaalsContact CD-CE 3.41Å; Q547-M1214 HydrophobicContact CG-CE 3.58Å; D548-M1214 HydrophobicContact CB-CE 4.24Å; D548-M1214 HydrophobicContact CB-SD 4.24Å; I1200-M1214 HydrophobicContact CD1-CB 3.76Å; I1200-M1214 HydrophobicContact CD1-CG 3.76Å; I1200-M1214 HydrophobicContact CD1-SD 4.4Å; L1210-M1214 WeakPolarHBondContact O-CB 3.32Å; L1210-M1214 PolarHBondContact O-N 3Å; P1211-M1214 PolarHBondContact O-N 3.41Å; A1212-M1214 VanDerWaalsContact C-N 3.31Å; M1214-A1216 VanDerWaalsContact C-N 3.3Å; M1214-A1216 PolarHBondContact O-N 3.23Å; M1214-L1217 WeakPolarHBondContact O-CB 3.31Å; M1214-L1217 PolarHBondContact O-N 3.12Å; M1214-L1217 VanDerWaalsContact O-N 3.1Å; M1214-S1218 PolarHBondContact O-N 3.09Å; M1214-S1218 PolarHBondContact O-OG 3.21Å; M1214-S1218 VanDerWaalsContact O-OG 3.07Å
1215M90.8Very high85.9Confident55 Ų5530.4 Ų30.427%0.27119%0.191SC..Hα-helixtrans-59-40.8171.5-177.3-175.874.200111.6P1211 A1212 L1217 S1218 N1219 I1237 V1239P1211-M1215 WeakPolarHBondContact O-CB 3.47Å; P1211-M1215 PolarHBondContact O-N 3.42Å; A1212-M1215 PolarHBondContact O-N 3.4Å; M1215-L1217 VanDerWaalsContact C-N 3.34Å; M1215-L1217 PolarHBondContact O-N 3.01Å; M1215-S1218 PolarHBondContact O-N 3.5Å; M1215-N1219 WeakPolarHBondContact O-CB 3.33Å; M1215-N1219 PolarHBondContact O-N 3.05Å; M1215-N1219 PolarHBondContact O-ND2 2.98Å; M1215-I1237 WeakPolarHBondContact CG-O 3.24Å; M1215-V1239 HydrophobicContact CB-CG2 4.39Å; M1215-V1239 HydrophobicContact CG-CG2 4.12Å; M1215-V1239 HydrophobicContact SD-CB 4.27Å; M1215-V1239 HydrophobicContact SD-CG2 4.31Å; M1215-V1239 PolarHBondContact SD-N 3.26Å; M1215-V1239 VanDerWaalsContact SD-N 3.45Å
1216A88.6Confident85.6Confident39 Ų3931 Ų3132%0.32219%0.194SC..Hα-helixtrans-62.9-38.3174.900000112.5F1129 A1212 M1214 A1220F1129-A1216 HydrophobicContact CE1-CB 4.34Å; A1212-A1216 WeakPolarHBondContact O-CB 3.29Å; A1212-A1216 PolarHBondContact O-N 3.4Å; M1214-A1216 VanDerWaalsContact C-N 3.3Å; M1214-A1216 PolarHBondContact O-N 3.23Å; A1216-A1220 VanDerWaalsContact O-CB 3.28Å; A1216-A1220 WeakPolarHBondContact O-CB 3.46Å; A1216-A1220 PolarHBondContact O-N 3.22Å
1217L87.7Confident84.9Confident11 Ų1134.4 Ų34.46%0.05822%0.215CC..Hα-helixtrans-69.2-43174.3-179.963.8000112I567 Y1198 I1200 Y1213 M1214 M1215 N1219 A1220 R1221I567-L1217 HydrophobicContact CD1-CD2 4.05Å; I567-L1217 HydrophobicContact CG1-CD2 4.2Å; I567-L1217 HydrophobicContact CG2-CD2 4.15Å; Y1198-L1217 HydrophobicContact CD1-CD1 3.68Å; Y1198-L1217 HydrophobicContact CE1-CD1 4.31Å; Y1198-L1217 HydrophobicContact CG-CD1 4.15Å; Y1198-L1217 HydrophobicContact CG-CD2 4.36Å; I1200-L1217 HydrophobicContact CD1-CB 4.48Å; I1200-L1217 HydrophobicContact CD1-CD2 3.86Å; I1200-L1217 HydrophobicContact CG1-CD2 3.68Å; Y1213-L1217 WeakPolarHBondContact O-CB 3.47Å; Y1213-L1217 PolarHBondContact O-N 3.46Å; M1214-L1217 WeakPolarHBondContact O-CB 3.31Å; M1214-L1217 PolarHBondContact O-N 3.12Å; M1214-L1217 VanDerWaalsContact O-N 3.1Å; M1215-L1217 VanDerWaalsContact C-N 3.34Å; M1215-L1217 PolarHBondContact O-N 3.01Å; L1217-N1219 VanDerWaalsContact C-N 3.33Å; L1217-N1219 PolarHBondContact O-N 3.28Å; L1217-A1220 PolarHBondContact O-N 3.2Å; L1217-R1221 WeakPolarHBondContact O-CB 3.29Å; L1217-R1221 PolarHBondContact O-N 3.34Å
1218S87.3Confident83.7Confident7 Ų743.4 Ų43.45%0.04926%0.255CS..Hα-helixtrans-59.5-43.3176.4-59.90000111.4D551 M1214 M1215 R1221 L1222D551-S1218 WeakPolarHBondContact CB-OG 3.46Å; D551-S1218 WeakPolarHBondContact OD2-CB 3.05Å; D551-S1218 PolarHBondContact OD2-OG 3.07Å; M1214-S1218 PolarHBondContact O-N 3.09Å; M1214-S1218 PolarHBondContact O-OG 3.21Å; M1214-S1218 VanDerWaalsContact O-OG 3.07Å; M1215-S1218 PolarHBondContact O-N 3.5Å; S1218-R1221 PolarHBondContact O-N 2.92Å; S1218-L1222 WeakPolarHBondContact O-CB 3.38Å; S1218-L1222 PolarHBondContact O-N 3.42Å
1219N87.9Confident82.7Confident27 Ų2749.4 Ų49.414%0.14428%0.282CS..Hα-helixtrans-67.8-44.5174-74-37.2000112.5M1215 L1217 R1221 L1222 H1223 I1237M1215-N1219 WeakPolarHBondContact O-CB 3.33Å; M1215-N1219 PolarHBondContact O-N 3.05Å; M1215-N1219 PolarHBondContact O-ND2 2.98Å; L1217-N1219 VanDerWaalsContact C-N 3.33Å; L1217-N1219 PolarHBondContact O-N 3.28Å; N1219-R1221 VanDerWaalsContact C-N 3.27Å; N1219-R1221 PolarHBondContact O-N 3.23Å; N1219-L1222 PolarHBondContact O-N 3.42Å; N1219-L1222 VanDerWaalsContact O-N 3.12Å; N1219-H1223 PolarHBondContact O-CD2 2.78Å; N1219-H1223 PolarHBondContact O-N 2.71Å; N1219-I1237 PolarHBondContact ND2-O 3.24Å; N1219-I1237 PolarHBondContact OD1-N 2.82Å; N1219-I1237 PolarHBondContact OD1-O 2.89Å
1220A84.5Confident81.6Confident49 Ų4950 Ų5041%0.40529%0.289SS..Hα-helixtrans-59.5-37.2175.200000112.4A1216 L1217 A1224A1216-A1220 VanDerWaalsContact O-CB 3.28Å; A1216-A1220 WeakPolarHBondContact O-CB 3.46Å; A1216-A1220 PolarHBondContact O-N 3.22Å; L1217-A1220 PolarHBondContact O-N 3.2Å; A1220-A1224 VanDerWaalsContact O-CB 3.29Å; A1220-A1224 WeakPolarHBondContact O-CB 3.26Å; A1220-A1224 PolarHBondContact O-N 3.47Å
1221R83.3Confident80.8Confident28 Ų2854 Ų5411%0.10631%0.313CS..Hα-helixtrans-68.8-43172.5-172-174.2167.8-1611.3111.4L555 D561 T563 L1217 S1218 N1219 A1224 V1225L555-R1221 HydrophobicContact CD1-CB 3.83Å; L555-R1221 HydrophobicContact CD1-CG 3.72Å; D561-R1221 IonicContact OD2-NH2 3.76Å; T563-R1221 PolarHBondContact O-NH2 2.9Å; T563-R1221 PolarHBondContact OG1-NH2 3.5Å; L1217-R1221 WeakPolarHBondContact O-CB 3.29Å; L1217-R1221 PolarHBondContact O-N 3.34Å; S1218-R1221 PolarHBondContact O-N 2.92Å; N1219-R1221 VanDerWaalsContact C-N 3.27Å; N1219-R1221 PolarHBondContact O-N 3.23Å; R1221-A1224 PolarHBondContact O-N 3.49Å; R1221-V1225 VanDerWaalsContact O-CG2 3.32Å; R1221-V1225 WeakPolarHBondContact O-CG2 3.44Å; R1221-V1225 PolarHBondContact O-N 3.46Å
1222L83Confident79.9Confident0 Ų056.5 Ų56.50%033%0.329CS..Hα-helixtrans-58.8-55.2177.2-179.960.2000110.8L555 L558 A559 S1218 N1219 A1224 V1225 L1226 I1237L555-L1222 HydrophobicContact CD1-CB 4.23Å; L555-L1222 HydrophobicContact CG-CD1 4.42Å; L558-L1222 HydrophobicContact CB-CD1 3.97Å; L558-L1222 HydrophobicContact CD1-CD1 4.21Å; L558-L1222 HydrophobicContact CD1-CD2 3.93Å; A559-L1222 HydrophobicContact CB-CD1 4.49Å; S1218-L1222 WeakPolarHBondContact O-CB 3.38Å; S1218-L1222 PolarHBondContact O-N 3.42Å; N1219-L1222 PolarHBondContact O-N 3.42Å; N1219-L1222 VanDerWaalsContact O-N 3.12Å; L1222-A1224 PolarHBondContact O-N 3.11Å; L1222-A1224 VanDerWaalsContact O-N 3.1Å; L1222-V1225 PolarHBondContact O-N 3.24Å; L1222-L1226 HydrophobicContact CD1-CD2 4.18Å; L1222-L1226 HydrophobicContact CD1-CG 4.34Å; L1222-L1226 HydrophobicContact CG-CD1 4.46Å; L1222-L1226 WeakPolarHBondContact O-CG 3.36Å; L1222-L1226 PolarHBondContact O-N 3.27Å; L1222-I1237 HydrophobicContact CD2-CD1 4.4Å; L1222-I1237 HydrophobicContact CD2-CG1 3.98Å
1223H83Confident79.4Confident80 Ų8058.8 Ų58.837%0.3734%0.342SS..Hα-helixtrans-60.2-23.1179.1-56.5-58.3000113.9N1219 P1232 Y1235N1219-H1223 PolarHBondContact O-CD2 2.78Å; N1219-H1223 PolarHBondContact O-N 2.71Å; H1223-P1232 PolarHBondContact CE1-O 3.22Å; H1223-P1232 PolarHBondContact ND1-O 3Å; H1223-Y1235 PolarHBondContact CE1-O 3Å; H1223-Y1235 VanDerWaalsContact CE1-O 3.24Å
1224A78.4Confident78.9Confident80 Ų8060 Ų6066%0.66135%0.353SS*.Hα-helixtrans-84.9-10.7178.600000114.6A1220 R1221 L1222A1220-A1224 VanDerWaalsContact O-CB 3.29Å; A1220-A1224 WeakPolarHBondContact O-CB 3.26Å; A1220-A1224 PolarHBondContact O-N 3.47Å; R1221-A1224 PolarHBondContact O-N 3.49Å; L1222-A1224 PolarHBondContact O-N 3.11Å; L1222-A1224 VanDerWaalsContact O-N 3.1Å
1225V78.3Confident78.7Confident51 Ų5162.1 Ų62.131%0.30936%0.361SS..Hα-helixtrans-121.3-8.6-174-173.30000112.6A559 D561 R1221 L1222A559-V1225 HydrophobicContact CB-CB 4.34Å; A559-V1225 HydrophobicContact CB-CG1 3.97Å; D561-V1225 HydrophobicContact CB-CG1 3.46Å; D561-V1225 VanDerWaalsContact CB-CG1 3.46Å; R1221-V1225 VanDerWaalsContact O-CG2 3.32Å; R1221-V1225 WeakPolarHBondContact O-CG2 3.44Å; R1221-V1225 PolarHBondContact O-N 3.46Å; L1222-V1225 PolarHBondContact O-N 3.24Å
1226L74.2Confident78.5Confident22 Ų2260.2 Ų60.212%0.11536%0.355CS..SBendtrans-61.2143.9174.2-72.6165.5000112.4L1222 Y1235L1222-L1226 HydrophobicContact CD1-CD2 4.18Å; L1222-L1226 HydrophobicContact CD1-CG 4.34Å; L1222-L1226 HydrophobicContact CG-CD1 4.46Å; L1222-L1226 WeakPolarHBondContact O-CG 3.36Å; L1222-L1226 PolarHBondContact O-N 3.27Å; L1226-Y1235 HydrophobicContact CD1-CD1 4.26Å; L1226-Y1235 HydrophobicContact CD1-CD2 3.61Å; L1226-Y1235 HydrophobicContact CD1-CE2 4.35Å; L1226-Y1235 HydrophobicContact CD1-CG 3.54Å; L1226-Y1235 HydrophobicContact CD2-CD1 3.56Å; L1226-Y1235 HydrophobicContact CD2-CD2 3.98Å; L1226-Y1235 HydrophobicContact CD2-CE1 3.67Å; L1226-Y1235 HydrophobicContact CD2-CE2 4.08Å; L1226-Y1235 HydrophobicContact CD2-CG 3.71Å; L1226-Y1235 HydrophobicContact CG-CD2 4.44Å; L1226-Y1235 HydrophobicContact CG-CG 4.29Å
1227P66.6Low78.6Confident76 Ų7658.5 Ų58.549%0.49434%0.341SS..  trans-66.6146.3171.429.4-34.6000111.3D1229 G1230P1227-D1229 PolarHBondContact O-N 3.06Å; P1227-G1230 PolarHBondContact O-N 3.32Å
1228F60.9Low78.8Confident215 Ų21560.4 Ų60.494%0.94336%0.355SS*.THydrogen-bonded Turntrans-58.2-17.6-172.7-74.6-83.2000115.8G1230F1228-G1230 VanDerWaalsContact C-N 3.33Å
1229D66.6Low78.9Confident165 Ų16561.2 Ų61.288%0.88236%0.36SS*.THydrogen-bonded Turntrans-77.7-15-178.7-55.4-50.8000113.6P1227P1227-D1229 PolarHBondContact O-N 3.06Å
1230G63.9Low79.1Confident19 Ų1962.7 Ų62.720%0.19637%0.367CS..SBendtrans-97.8134.4178.400000112.6P1227 F1228 P1232P1227-G1230 PolarHBondContact O-N 3.32Å; F1228-G1230 VanDerWaalsContact C-N 3.33Å; G1230-P1232 WeakPolarHBondContact O-CD 3.2Å
1231V72.9Confident79.3Confident86 Ų8661.7 Ų61.752%0.52136%0.355SS..  trans-69.7122.5174.3-161.70000108.9S1233 D1234V1231-S1233 WeakPolarHBondContact CG1-OG 3.47Å; V1231-S1233 PolarHBondContact O-N 3.47Å; V1231-D1234 PolarHBondContact O-N 3.32Å
1232P71.9Confident79.5Confident68 Ų6864 Ų6444%0.44237%0.367SS..G310 helixtrans-62.3-20.9-173.8-27.136.3000114.8H1223 G1230 D1234H1223-P1232 PolarHBondContact CE1-O 3.22Å; H1223-P1232 PolarHBondContact ND1-O 3Å; G1230-P1232 WeakPolarHBondContact O-CD 3.2Å; P1232-D1234 PolarHBondContact O-N 2.91Å
1233S77.6Confident79.4Confident94 Ų9465.1 Ų65.166%0.65737%0.374SS*.G310 helixtrans-61.8-26.7174.546.80000114.3V1231 Y1235V1231-S1233 WeakPolarHBondContact CG1-OG 3.47Å; V1231-S1233 PolarHBondContact O-N 3.47Å; S1233-Y1235 VanDerWaalsContact C-N 3.29Å
1234D81.3Confident79.4Confident87 Ų8762 Ų6247%0.46536%0.36SS..G310 helixtrans-88.3-9-168-57.76.7000111.2N500 V1231 P1232N500-D1234 WeakPolarHBondContact CB-O 3.42Å; V1231-D1234 PolarHBondContact O-N 3.32Å; P1232-D1234 PolarHBondContact O-N 2.91Å
1235Y85.1Confident78.8Confident46 Ų4661.6 Ų61.618%0.1835%0.351CS..  trans-109.8142-179.7-71.2-91.4000111N500 H1223 L1226 S1233N500-Y1235 HydrophobicContact CB-CD1 3.65Å; N500-Y1235 HydrophobicContact CB-CD2 4.49Å; N500-Y1235 HydrophobicContact CB-CE1 3.75Å; N500-Y1235 HydrophobicContact CB-CG 4.06Å; N500-Y1235 VanDerWaalsContact CG-CE1 3.47Å; N500-Y1235 WeakPolarHBondContact O-CA 3.32Å; H1223-Y1235 PolarHBondContact CE1-O 3Å; H1223-Y1235 VanDerWaalsContact CE1-O 3.24Å; L1226-Y1235 HydrophobicContact CD1-CD1 4.26Å; L1226-Y1235 HydrophobicContact CD1-CD2 3.61Å; L1226-Y1235 HydrophobicContact CD1-CE2 4.35Å; L1226-Y1235 HydrophobicContact CD1-CG 3.54Å; L1226-Y1235 HydrophobicContact CD2-CD1 3.56Å; L1226-Y1235 HydrophobicContact CD2-CD2 3.98Å; L1226-Y1235 HydrophobicContact CD2-CE1 3.67Å; L1226-Y1235 HydrophobicContact CD2-CE2 4.08Å; L1226-Y1235 HydrophobicContact CD2-CG 3.71Å; L1226-Y1235 HydrophobicContact CG-CD2 4.44Å; L1226-Y1235 HydrophobicContact CG-CG 4.29Å; S1233-Y1235 VanDerWaalsContact C-N 3.29Å
1236G86.3Confident77.9Confident14 Ų1462 Ų6214%0.14435%0.349CS..EExtended strand (participates in β ladder)trans-179.3164177.500000113.6N500 A501 V502N500-G1236 PolarHBondContact O-N 3.36Å; A501-G1236 CarbonylContact C-O 3.58Å; A501-G1236 WeakPolarHBondContact CA-O 3.47Å; V502-G1236 PolarHBondContact N-O 3.36Å
1237I90Very high77.1Confident3 Ų362.5 Ų62.52%0.01535%0.352CS..EExtended strand (participates in β ladder)trans-126120.4175-48.9-178.2000106.9V502 Y504 I554 M1215 N1219 L1222 V1239V502-I1237 WeakPolarHBondContact O-CA 2.78Å; Y504-I1237 HydrophobicContact CD1-CG2 4.46Å; Y504-I1237 HydrophobicContact CE1-CG2 3.82Å; I554-I1237 HydrophobicContact CB-CD1 4.13Å; I554-I1237 HydrophobicContact CD1-CG2 4.09Å; I554-I1237 HydrophobicContact CG2-CD1 3.66Å; I554-I1237 HydrophobicContact CG2-CG1 3.84Å; M1215-I1237 WeakPolarHBondContact CG-O 3.24Å; N1219-I1237 PolarHBondContact ND2-O 3.24Å; N1219-I1237 PolarHBondContact OD1-N 2.82Å; N1219-I1237 PolarHBondContact OD1-O 2.89Å; L1222-I1237 HydrophobicContact CD2-CD1 4.4Å; L1222-I1237 HydrophobicContact CD2-CG1 3.98Å; I1237-V1239 HydrophobicContact CG2-CG2 4.35Å
1238S90.9Very high76.3Confident52 Ų5265.4 Ų65.436%0.36436%0.362SS..EExtended strand (participates in β ladder)trans-118.9121.9179.8-175.80000110V502 Y504V502-S1238 PolarHBondContact O-N 2.87Å; Y504-S1238 PolarHBondContact N-O 2.78Å
1239V91.1Very high75.9Confident24 Ų2461 Ų6115%0.14535%0.349CS..EExtended strand (participates in β ladder)trans-114.8113.2-172.8-1690000109.9Y504 I506 Q547 M1215 I1237Y504-V1239 HydrophobicContact CE1-CG2 3.7Å; Y504-V1239 HydrophobicContact CE2-CG1 3.93Å; Y504-V1239 WeakPolarHBondContact OH-CG2 3.2Å; I506-V1239 HydrophobicContact CD1-CG1 3.94Å; I506-V1239 HydrophobicContact CG1-CG1 4.25Å; Q547-V1239 HydrophobicContact CG-CG1 4.02Å; Q547-V1239 HydrophobicContact CG-CG2 4.15Å; M1215-V1239 HydrophobicContact CB-CG2 4.39Å; M1215-V1239 HydrophobicContact CG-CG2 4.12Å; M1215-V1239 HydrophobicContact SD-CB 4.27Å; M1215-V1239 HydrophobicContact SD-CG2 4.31Å; M1215-V1239 PolarHBondContact SD-N 3.26Å; M1215-V1239 VanDerWaalsContact SD-N 3.45Å; I1237-V1239 HydrophobicContact CG2-CG2 4.35Å
1240I90.9Very high75Confident57 Ų5757.8 Ų57.829%0.29233%0.328SS..EExtended strand (participates in β ladder)trans-102115-180-55.9179.5000109.5E503 Y504 K505 I506 H1242E503-I1240 HydrophobicContact CG-CD1 4.11Å; E503-I1240 VanDerWaalsContact OE1-CD1 3.31Å; E503-I1240 WeakPolarHBondContact OE1-CD1 3.22Å; Y504-I1240 PolarHBondContact O-N 2.8Å; K505-I1240 CarbonylContact C-O 3.4Å; K505-I1240 VanDerWaalsContact CA-O 3.32Å; K505-I1240 WeakPolarHBondContact CA-O 3.38Å; K505-I1240 HydrophobicContact CB-CB 4.44Å; K505-I1240 HydrophobicContact CG-CB 4.33Å; I506-I1240 PolarHBondContact N-O 3.32Å; I1240-H1242 HydrophobicContact CG2-CB 4.17Å; I1240-H1242 PolarHBondContact O-N 3.22Å
1241N89.5Confident74.1Confident29 Ų2958.2 Ų58.216%0.15533%0.33CS..EExtended strand (participates in β ladder)trans-72.4111.7161.4-177.610000108.5T516 Y538 F543T516-N1241 HydrophobicContact CG2-CB 4.16Å; T516-N1241 WeakPolarHBondContact CG2-ND2 3.1Å; Y538-N1241 PolarHBondContact OH-ND2 3.09Å; F543-N1241 HydrophobicContact CE2-CB 3.68Å; F543-N1241 HydrophobicContact CZ-CB 3.63Å
1242H86.2Confident72.9Confident77 Ų7757.8 Ų57.836%0.35633%0.327SS..  trans-129.387.1178-176.6-71.2000109.3K505 I506 R507 I1240K505-H1242 HydrophobicContact CB-CB 4.39Å; K505-H1242 HydrophobicContact CD-CB 4.27Å; I506-H1242 PolarHBondContact O-N 2.9Å; R507-H1242 VanDerWaalsContact CA-O 3.26Å; R507-H1242 WeakPolarHBondContact CA-O 3.46Å; R507-H1242 WeakPolarHBondContact CB-O 3.44Å; R507-H1242 HydrophobicContact CG-CB 4.38Å; R507-H1242 VanDerWaalsContact CG-O 3.32Å; R507-H1242 WeakPolarHBondContact CG-O 3.47Å; I1240-H1242 HydrophobicContact CG2-CB 4.17Å; I1240-H1242 PolarHBondContact O-N 3.22Å
1243P82.9Confident71.7Confident23 Ų2358.8 Ų58.815%0.14933%0.326CS..PPolyproline II helixtrans-52.6147.7-176.1-26.433.8000113.1M508 V513 T516M508-P1243 WeakPolarHBondContact O-CA 3.12Å; V513-P1243 HydrophobicContact CG2-CB 4.33Å; V513-P1243 HydrophobicContact CG2-CG 4Å; T516-P1243 HydrophobicContact CG2-CG 3.89Å
1244M80.9Confident70.1Confident14 Ų1457 Ų577%0.06931%0.305CS..BIsolated β-bridgetrans-66.9133.6178.1-149.870.2-145.400110.3E470 A473 F482 R507 M508 Q1246E470-M1244 VanDerWaalsContact CA-CE 3.41Å; E470-M1244 HydrophobicContact CB-CE 3.53Å; E470-M1244 HydrophobicContact CG-CE 3.57Å; A473-M1244 HydrophobicContact CB-CE 3.94Å; A473-M1244 HydrophobicContact CB-CG 4.1Å; A473-M1244 HydrophobicContact CB-SD 3.98Å; F482-M1244 HydrophobicContact CE1-CB 3.91Å; F482-M1244 HydrophobicContact CE1-CG 3.84Å; F482-M1244 HydrophobicContact CE1-SD 4.16Å; F482-M1244 HydrophobicContact CZ-CG 4.17Å; F482-M1244 HydrophobicContact CZ-SD 3.89Å; R507-M1244 HydrophobicContact CB-SD 4.01Å; R507-M1244 VanDerWaalsContact NH1-CE 3.28Å; M508-M1244 PolarHBondContact O-N 3.1Å; M1244-Q1246 PolarHBondContact O-N 3.27Å
1245P67.2Low68.3Low72 Ų7262 Ų6247%0.46832%0.317SS..PPolyproline II helixtrans-54.513817321.2-33.1000111.2
1246Q59.9Low66.3Low58 Ų5864.1 Ų64.127%0.27133%0.331SS..PPolyproline II helixtrans-69151.9-173.2-771583800112.2D510 M1244 E1250 A1251 R1254D510-Q1246 HydrophobicContact CB-CG 4.41Å; M1244-Q1246 PolarHBondContact O-N 3.27Å; Q1246-E1250 HydrophobicContact CB-CB 4.45Å; Q1246-A1251 HydrophobicContact CB-CB 4.37Å; Q1246-R1254 VanDerWaalsContact OE1-CD 3.32Å
1247I57.5Low64.3Low34 Ų3466.9 Ų66.917%0.17434%0.341CS..PPolyproline II helixtrans-59.7140169.4-61.7175.8000108.1K478 D1249 E1250 A1251K478-I1247 HydrophobicContact CG-CD1 4.23Å; I1247-D1249 PolarHBondContact O-N 3.45Å; I1247-E1250 PolarHBondContact O-N 3.39Å; I1247-A1251 PolarHBondContact O-N 3.47Å
1248L49.9Very low62.3Low137 Ų13771.2 Ų71.272%0.71736%0.363SS*.Hα-helixtrans-51.8-36.2-173-162.572.6000113.1A1251 V1252L1248-A1251 PolarHBondContact O-N 3.19Å; L1248-V1252 WeakPolarHBondContact O-CB 3.19Å; L1248-V1252 VanDerWaalsContact O-CG2 3.23Å; L1248-V1252 WeakPolarHBondContact O-CG2 3.27Å; L1248-V1252 PolarHBondContact O-N 3.49Å
1249D51.5Low60Low123 Ų12377.4 Ų77.466%0.65838%0.378SS*.Hα-helixtrans-64.5-42.9176.7-62.5-57.6000113.3I1247 V1252 Q1253I1247-D1249 PolarHBondContact O-N 3.45Å; D1249-V1252 PolarHBondContact O-N 2.82Å; D1249-Q1253 WeakPolarHBondContact O-CG 3.42Å; D1249-Q1253 PolarHBondContact O-N 2.87Å
1250E48.7Very low57.8Low97 Ų9783 Ų8345%0.45341%0.406SS..Hα-helixtrans-69.8-40.6174.7-69.3-164.7144.900111Q1246 I1247 V1252 Q1253 R1254Q1246-E1250 HydrophobicContact CB-CB 4.45Å; I1247-E1250 PolarHBondContact O-N 3.39Å; E1250-V1252 VanDerWaalsContact C-N 3.3Å; E1250-V1252 PolarHBondContact O-N 3.24Å; E1250-Q1253 PolarHBondContact O-N 3.33Å; E1250-R1254 WeakPolarHBondContact O-CB 3.15Å; E1250-R1254 PolarHBondContact O-N 2.91Å
1251A44.5Very low55.6Low27 Ų2787 Ų8722%0.22343%0.427CS..Hα-helixtrans-59.9-41175.300000111.4Q1246 I1247 L1248 R1254 W1255Q1246-A1251 HydrophobicContact CB-CB 4.37Å; I1247-A1251 PolarHBondContact O-N 3.47Å; L1248-A1251 PolarHBondContact O-N 3.19Å; A1251-R1254 PolarHBondContact O-N 2.95Å; A1251-W1255 VanDerWaalsContact O-CB 3.31Å; A1251-W1255 WeakPolarHBondContact O-CB 3.49Å; A1251-W1255 PolarHBondContact O-N 3.48Å
1252V47.3Very low53.3Low77 Ų7791.7 Ų91.747%0.46745%0.452SS..Hα-helixtrans-69.4-38.9175.3166.90000112L1248 D1249 E1250 N1256L1248-V1252 WeakPolarHBondContact O-CB 3.19Å; L1248-V1252 VanDerWaalsContact O-CG2 3.23Å; L1248-V1252 WeakPolarHBondContact O-CG2 3.27Å; L1248-V1252 PolarHBondContact O-N 3.49Å; D1249-V1252 PolarHBondContact O-N 2.82Å; E1250-V1252 VanDerWaalsContact C-N 3.3Å; E1250-V1252 PolarHBondContact O-N 3.24Å; V1252-N1256 PolarHBondContact O-N 3.23Å; V1252-N1256 VanDerWaalsContact O-N 3.08Å; V1252-N1256 PolarHBondContact O-ND2 2.81Å
1253Q46.4Very low50.8Low89 Ų8995 Ų9542%0.41647%0.473SS..Hα-helixtrans-59.6-47.8171.3-74.5-163.5-102.700111.1D1249 E1250 N1256 E1257D1249-Q1253 WeakPolarHBondContact O-CG 3.42Å; D1249-Q1253 PolarHBondContact O-N 2.87Å; E1250-Q1253 PolarHBondContact O-N 3.33Å; Q1253-N1256 PolarHBondContact O-N 3.31Å; Q1253-E1257 PolarHBondContact O-N 3.07Å
1254R43.5Very low48.4Very low58 Ų58101.4 Ų101.422%0.21951%0.505CS..Hα-helixtrans-69.8-34.1-178.1-147.9168.1-176.1154.4-12112.4D510 Q515 Q1246 E1250 A1251 N1256 E1257 I1258D510-R1254 IonicContact OD1-NH2 2.72Å; D510-R1254 IonicContact OD2-CZ 2.66Å; D510-R1254 IonicContact OD2-NH1 3.39Å; D510-R1254 PolarHBondContact OD2-NH1 3.39Å; D510-R1254 IonicContact OD2-NH2 3.34Å; D510-R1254 PolarHBondContact OD2-NH2 3Å; Q515-R1254 VanDerWaalsContact CD-NH2 3.35Å; Q1246-R1254 VanDerWaalsContact OE1-CD 3.32Å; E1250-R1254 WeakPolarHBondContact O-CB 3.15Å; E1250-R1254 PolarHBondContact O-N 2.91Å; A1251-R1254 PolarHBondContact O-N 2.95Å; R1254-N1256 VanDerWaalsContact C-N 3.35Å; R1254-E1257 PolarHBondContact O-N 2.94Å; R1254-I1258 HydrophobicContact CG-CD1 4.31Å; R1254-I1258 WeakPolarHBondContact O-CB 3.49Å; R1254-I1258 WeakPolarHBondContact O-CD1 3.16Å; R1254-I1258 VanDerWaalsContact O-CG1 3.24Å; R1254-I1258 WeakPolarHBondContact O-CG1 3.09Å; R1254-I1258 PolarHBondContact O-N 3.28Å
1255W44.3Very low46.4Very low192 Ų192110.7 Ų110.773%0.72754%0.54SS*.Hα-helixtrans-62.3-39.9170.1-102.480.7000112.2A1251 I1258 R1259A1251-W1255 VanDerWaalsContact O-CB 3.31Å; A1251-W1255 WeakPolarHBondContact O-CB 3.49Å; A1251-W1255 PolarHBondContact O-N 3.48Å; W1255-I1258 PolarHBondContact O-N 3.43Å; W1255-R1259 WeakPolarHBondContact O-CB 3.32Å; W1255-R1259 PolarHBondContact O-N 3.44Å
1256N42.9Very low44.9Very low89 Ų89113.6 Ų113.648%0.47655%0.552SS.*Hα-helixtrans-69.7-36.3175.6-72-47.2000112.1V1252 Q1253 R1254 I1260V1252-N1256 PolarHBondContact O-N 3.23Å; V1252-N1256 VanDerWaalsContact O-N 3.08Å; V1252-N1256 PolarHBondContact O-ND2 2.81Å; Q1253-N1256 PolarHBondContact O-N 3.31Å; R1254-N1256 VanDerWaalsContact C-N 3.35Å; N1256-I1260 WeakPolarHBondContact O-CD1 3.27Å; N1256-I1260 WeakPolarHBondContact O-CG1 3.31Å
1257E43.8Very low43.7Very low73 Ų73120.5 Ų120.534%0.34158%0.582SS.*Hα-helixtrans-61.1-46.6170.1-69.7179.6161.200111.5R279 Q1253 R1254R279-E1257 IonicContact NH2-OE1 2.72Å; R279-E1257 IonicContact NH2-OE2 3.39Å; Q1253-E1257 PolarHBondContact O-N 3.07Å; R1254-E1257 PolarHBondContact O-N 2.94Å
1258I49Very low42.5Very low94 Ų94123.8 Ų123.848%0.48261%0.605SS.*Hα-helixtrans-72.8-38.7-175.4-68.6164.5000112.5R1254 W1255 I1260 L1261 N1262R1254-I1258 HydrophobicContact CG-CD1 4.31Å; R1254-I1258 WeakPolarHBondContact O-CB 3.49Å; R1254-I1258 WeakPolarHBondContact O-CD1 3.16Å; R1254-I1258 VanDerWaalsContact O-CG1 3.24Å; R1254-I1258 WeakPolarHBondContact O-CG1 3.09Å; R1254-I1258 PolarHBondContact O-N 3.28Å; W1255-I1258 PolarHBondContact O-N 3.43Å; I1258-I1260 PolarHBondContact O-N 3.02Å; I1258-I1260 VanDerWaalsContact O-N 3.13Å; I1258-L1261 PolarHBondContact O-N 3.18Å; I1258-N1262 PolarHBondContact O-N 3.34Å; I1258-N1262 VanDerWaalsContact O-N 3.14Å
1259R42.6Very low41.6Very low182 Ų182122.9 Ų122.969%0.68761%0.61SS**Hα-helixtrans-61.8-19.5-179.9-179.9173.4176.1170.20.6113.7W1255W1255-R1259 WeakPolarHBondContact O-CB 3.32Å; W1255-R1259 PolarHBondContact O-N 3.44Å
1260I45.6Very low41Very low142 Ų142122 Ų12273%0.72862%0.62SS**THydrogen-bonded Turntrans-83.3-22.4176.4-66.5169.6000111.8N1256 I1258N1256-I1260 WeakPolarHBondContact O-CD1 3.27Å; N1256-I1260 WeakPolarHBondContact O-CG1 3.31Å; I1258-I1260 PolarHBondContact O-N 3.02Å; I1258-I1260 VanDerWaalsContact O-N 3.13Å
1261L44.2Very low40.2Very low140 Ų140124.2 Ų124.273%0.73364%0.64SS**THydrogen-bonded Turntrans-107.4-37.2-169.3-74165.5000114.6I1258I1258-L1261 PolarHBondContact O-N 3.18Å
1262N39.8Very low40.1Very low127 Ų127129.6 Ų129.668%0.67967%0.665SS**  trans-11095.4-175.9-76.81.9000112.4I1258I1258-N1262 PolarHBondContact O-N 3.34Å; I1258-N1262 VanDerWaalsContact O-N 3.14Å
1263N34.7Very low39.9Very low148 Ų148137 Ų13779%0.79169%0.685SS**  trans-85.5146.8153-82.7-54.3000109.5
1264L32.3Very low39.8Very low157 Ų157138.1 Ų138.182%0.82269%0.694SS**SBendtrans83.5142.6177.2-53.2156.4000116.3
1265Y39Very low39.9Very low208 Ų208142.1 Ų142.182%0.81672%0.719SS**  trans77.887.4173.4-65.1-75.1000120.2
1266D34.9Very low40.3Very low133 Ų133138.6 Ų138.671%0.71171%0.714SS**  31.8122.1129.3-45.7-32.4000121.6
1267F35.2Very low40.8Very low204 Ų204138.3 Ų138.390%0.89571%0.712SS**  -170.7164.4102.6-115.1-112.5000110.6
1268P33.5Very low41.9Very low102 Ų102141.9 Ų141.966%0.66272%0.723SS**  trans-114.4176.2-153.741.8-35000118
1269S30.8Very low42.5Very low119 Ų119142.9 Ų142.983%0.83273%0.729SS**  trans70.887.5154.857.20000120.5
1270A37.3Very low43.3Very low103 Ų103139 Ų13985%0.85172%0.721SS**  trans-146.7145.6140.600000108.8
1271T33.2Very low43.9Very low144 Ų144135.2 Ų135.288%0.88370%0.701SS**  trans-95.4124.8-167.152.30000113.8
1272D41.5Very low45Very low141 Ų141129.3 Ų129.375%0.75467%0.674SS**  trans-146.1150.4150.8-135.1-29000110.4N1274D1272-N1274 PolarHBondContact O-N 2.66Å; D1272-N1274 PolarHBondContact O-ND2 3.34Å
1273R43.7Very low46.6Very low232 Ų232129.5 Ų129.588%0.87567%0.666SS**  trans-76.383.7-164-65.6-174.3-173.4179.92.7112.7
1274N44.9Very low48.6Very low113 Ų113125.4 Ų125.460%0.60465%0.647SS**  trans-65.9140178.4-79.8-70.5000112.5D1272 L1276 D1277D1272-N1274 PolarHBondContact O-N 2.66Å; D1272-N1274 PolarHBondContact O-ND2 3.34Å; N1274-L1276 PolarHBondContact O-N 3Å; N1274-D1277 WeakPolarHBondContact O-CB 3.34Å; N1274-D1277 PolarHBondContact O-N 3.5Å; N1274-D1277 VanDerWaalsContact O-N 3.1Å
1275L45.1Very low50.6Low141 Ų141122.2 Ų122.274%0.73863%0.63SS**THydrogen-bonded Turntrans-63.3-13.9176.8-153.275.5000113.4L1281L1275-L1281 VanDerWaalsContact O-CD1 3.25Å; L1275-L1281 WeakPolarHBondContact O-CD1 3.44Å
1276L52.3Low52.4Low119 Ų119115 Ų11562%0.62361%0.607SS**THydrogen-bonded Turntrans-96.39.7179.3-81.4155.4000113.7N1274 L1281N1274-L1276 PolarHBondContact O-N 3Å; L1276-L1281 HydrophobicContact CD2-CD1 4.49Å
1277D54.6Low54.7Low83 Ų83112.4 Ų112.444%0.44459%0.592SS.*  trans-56.6155.5-176.5-144.2-29.6000112.7N1274 D1279 I1280 L1281 G1282N1274-D1277 WeakPolarHBondContact O-CB 3.34Å; N1274-D1277 PolarHBondContact O-N 3.5Å; N1274-D1277 VanDerWaalsContact O-N 3.1Å; D1277-D1279 PolarHBondContact O-N 3.47Å; D1277-I1280 HydrophobicContact CB-CB 4.46Å; D1277-I1280 HydrophobicContact CB-CD1 4.2Å; D1277-I1280 HydrophobicContact CB-CG1 4.3Å; D1277-I1280 PolarHBondContact O-N 2.93Å; D1277-L1281 PolarHBondContact O-N 2.69Å; D1277-G1282 PolarHBondContact O-N 2.97Å; D1277-G1282 VanDerWaalsContact O-N 3.14Å
1278W65.2Low56.8Low148 Ų148109.2 Ų109.256%0.56158%0.582SS**Iπ-helixtrans-58.8-46.8-173.7-179.1-102.8000111.4I1280 R1283 V1286W1278-I1280 VanDerWaalsContact C-N 3.28Å; W1278-I1280 PolarHBondContact O-N 3.37Å; W1278-R1283 WeakPolarHBondContact O-CA 3.41Å; W1278-R1283 WeakPolarHBondContact O-CB 3.45Å; W1278-R1283 PolarHBondContact O-N 3.41Å; W1278-V1286 HydrophobicContact CH2-CB 4.15Å; W1278-V1286 HydrophobicContact CH2-CG1 4.27Å; W1278-V1286 HydrophobicContact CH2-CG2 3.77Å; W1278-V1286 HydrophobicContact CZ3-CG2 3.85Å
1279D61.8Low59.2Low115 Ų115109.8 Ų109.862%0.61558%0.579SS**Iπ-helixtrans-74.1-12.2179.2-78.6-51.3000114.9D1277 R1283D1277-D1279 PolarHBondContact O-N 3.47Å; D1279-R1283 IonicContact OD1-NH1 3.27Å; D1279-R1283 PolarHBondContact OD1-NH1 2.87Å
1280I59.3Low61.7Low100 Ų100109.2 Ų109.251%0.51357%0.565SS.*Iπ-helixtrans-101-45.9-176.7-58.9177.5000112.1D1277 W1278D1277-I1280 HydrophobicContact CB-CB 4.46Å; D1277-I1280 HydrophobicContact CB-CD1 4.2Å; D1277-I1280 HydrophobicContact CB-CG1 4.3Å; D1277-I1280 PolarHBondContact O-N 2.93Å; W1278-I1280 VanDerWaalsContact C-N 3.28Å; W1278-I1280 PolarHBondContact O-N 3.37Å
1281L58.1Low63.9Low62 Ų62109.6 Ų109.633%0.32555%0.55SS..Iπ-helixtrans-137.1-31.6-169.8-128.7162.2000113L1275 L1276 D1277 I1285L1275-L1281 VanDerWaalsContact O-CD1 3.25Å; L1275-L1281 WeakPolarHBondContact O-CD1 3.44Å; L1276-L1281 HydrophobicContact CD2-CD1 4.49Å; D1277-L1281 PolarHBondContact O-N 2.69Å; L1281-I1285 HydrophobicContact CD2-CD1 3.58Å; L1281-I1285 HydrophobicContact CD2-CG1 4.07Å; L1281-I1285 VanDerWaalsContact O-CG1 3.32Å; L1281-I1285 WeakPolarHBondContact O-CG1 3.36Å; L1281-I1285 PolarHBondContact O-N 3.19Å; L1281-I1285 VanDerWaalsContact O-N 3.13Å
1282G68.8Low66.2Low16 Ų16104.1 Ų104.117%0.16552%0.522CS..Iπ-helixtrans-63.3-48.4174.900000113.2D1277 I1285 V1286D1277-G1282 PolarHBondContact O-N 2.97Å; D1277-G1282 VanDerWaalsContact O-N 3.14Å; G1282-I1285 PolarHBondContact O-N 3.44Å; G1282-V1286 WeakPolarHBondContact O-CG2 3.37Å; G1282-V1286 PolarHBondContact O-N 3.33Å
1283R73.2Confident68.2Low132 Ų132101 Ų10150%0.49851%0.508SS..Hα-helixtrans-65.5-43.6-179.2-177177.1-180-176.1-2.6112.2W1278 D1279 V1286 I1287W1278-R1283 WeakPolarHBondContact O-CA 3.41Å; W1278-R1283 WeakPolarHBondContact O-CB 3.45Å; W1278-R1283 PolarHBondContact O-N 3.41Å; D1279-R1283 IonicContact OD1-NH1 3.27Å; D1279-R1283 PolarHBondContact OD1-NH1 2.87Å; R1283-V1286 PolarHBondContact O-N 2.96Å; R1283-I1287 HydrophobicContact CG-CD1 3.91Å; R1283-I1287 VanDerWaalsContact O-CB 3.32Å; R1283-I1287 WeakPolarHBondContact O-CB 3.15Å; R1283-I1287 WeakPolarHBondContact O-CD1 3.5Å; R1283-I1287 WeakPolarHBondContact O-CG1 3.2Å; R1283-I1287 PolarHBondContact O-N 3.01Å
1284P75.5Confident70.1Confident61 Ų6192.6 Ų92.640%0.39649%0.487SS..Hα-helixtrans-56.6-45.3167-2936.2000114.3V1286 I1287 M1288P1284-V1286 PolarHBondContact O-N 3.1Å; P1284-I1287 PolarHBondContact O-N 3.23Å; P1284-M1288 WeakPolarHBondContact O-CB 3.47Å; P1284-M1288 WeakPolarHBondContact O-CG 3.47Å; P1284-M1288 PolarHBondContact O-N 3.34Å
1285I74.9Confident71.8Confident91 Ų9190.5 Ų90.547%0.46748%0.482SS..Hα-helixtrans-62.9-44.5179.2-72.7169.1000111.2L1281 G1282 M1288 L1289L1281-I1285 HydrophobicContact CD2-CD1 3.58Å; L1281-I1285 HydrophobicContact CD2-CG1 4.07Å; L1281-I1285 VanDerWaalsContact O-CG1 3.32Å; L1281-I1285 WeakPolarHBondContact O-CG1 3.36Å; L1281-I1285 PolarHBondContact O-N 3.19Å; L1281-I1285 VanDerWaalsContact O-N 3.13Å; G1282-I1285 PolarHBondContact O-N 3.44Å; I1285-M1288 PolarHBondContact O-N 2.96Å; I1285-L1289 WeakPolarHBondContact O-CB 3.43Å; I1285-L1289 PolarHBondContact O-N 3.44Å
1286V77.1Confident73.5Confident56 Ų5688.7 Ų88.734%0.33947%0.472SS..Hα-helixtrans-70.8-35.4179.5172.90000111.7W1278 G1282 R1283 P1284 L1289 I1290W1278-V1286 HydrophobicContact CH2-CB 4.15Å; W1278-V1286 HydrophobicContact CH2-CG1 4.27Å; W1278-V1286 HydrophobicContact CH2-CG2 3.77Å; W1278-V1286 HydrophobicContact CZ3-CG2 3.85Å; G1282-V1286 WeakPolarHBondContact O-CG2 3.37Å; G1282-V1286 PolarHBondContact O-N 3.33Å; R1283-V1286 PolarHBondContact O-N 2.96Å; P1284-V1286 PolarHBondContact O-N 3.1Å; V1286-L1289 PolarHBondContact O-N 3.16Å; V1286-I1290 HydrophobicContact CG1-CD1 3.87Å; V1286-I1290 HydrophobicContact CG1-CG1 4.46Å; V1286-I1290 WeakPolarHBondContact O-CB 3.48Å; V1286-I1290 VanDerWaalsContact O-CG1 3.27Å; V1286-I1290 WeakPolarHBondContact O-CG1 3.45Å; V1286-I1290 PolarHBondContact O-N 2.79Å
1287I82.1Confident74.8Confident78 Ų7887.9 Ų87.940%0.447%0.468SS..Hα-helixtrans-61.5-49.1169.9-72.4167.2000110.1R1283 P1284 L1289 I1290 E1291R1283-I1287 HydrophobicContact CG-CD1 3.91Å; R1283-I1287 VanDerWaalsContact O-CB 3.32Å; R1283-I1287 WeakPolarHBondContact O-CB 3.15Å; R1283-I1287 WeakPolarHBondContact O-CD1 3.5Å; R1283-I1287 WeakPolarHBondContact O-CG1 3.2Å; R1283-I1287 PolarHBondContact O-N 3.01Å; P1284-I1287 PolarHBondContact O-N 3.23Å; I1287-L1289 VanDerWaalsContact C-N 3.26Å; I1287-L1289 PolarHBondContact O-N 3.33Å; I1287-I1290 CarbonylContact O-C 3.57Å; I1287-I1290 PolarHBondContact O-N 2.76Å; I1287-E1291 HydrophobicContact CG2-CG 4.13Å; I1287-E1291 WeakPolarHBondContact O-CB 3.45Å; I1287-E1291 WeakPolarHBondContact O-CG 3.41Å; I1287-E1291 PolarHBondContact O-N 2.72Å
1288M80.9Confident76Confident138 Ų13888.8 Ų88.868%0.6847%0.472SS*.Hα-helixtrans-60.6-32.4176.5-74.8-170.474.700113.2P1284 I1285 G1292P1284-M1288 WeakPolarHBondContact O-CB 3.47Å; P1284-M1288 WeakPolarHBondContact O-CG 3.47Å; P1284-M1288 PolarHBondContact O-N 3.34Å; I1285-M1288 PolarHBondContact O-N 2.96Å; M1288-G1292 PolarHBondContact O-N 3.03Å
1289L82.3Confident76.5Confident113 Ų11386.5 Ų86.559%0.59247%0.47SS*.Hα-helixtrans-74-40.1177-151.8160.7000111I1285 V1286 I1287 G1292 V1293I1285-L1289 WeakPolarHBondContact O-CB 3.43Å; I1285-L1289 PolarHBondContact O-N 3.44Å; V1286-L1289 PolarHBondContact O-N 3.16Å; I1287-L1289 VanDerWaalsContact C-N 3.26Å; I1287-L1289 PolarHBondContact O-N 3.33Å; L1289-G1292 PolarHBondContact O-N 3.46Å; L1289-V1293 HydrophobicContact CD2-CG2 4.24Å; L1289-V1293 WeakPolarHBondContact O-CG2 3.32Å; L1289-V1293 PolarHBondContact O-N 2.7Å
1290I83.5Confident77.1Confident107 Ų10785.6 Ų85.655%0.54947%0.465SS..Hα-helixtrans-65.8-44.4172.5-69.2167.1000110.9V1286 I1287 G1292 V1293 A1294V1286-I1290 HydrophobicContact CG1-CD1 3.87Å; V1286-I1290 HydrophobicContact CG1-CG1 4.46Å; V1286-I1290 WeakPolarHBondContact O-CB 3.48Å; V1286-I1290 VanDerWaalsContact O-CG1 3.27Å; V1286-I1290 WeakPolarHBondContact O-CG1 3.45Å; V1286-I1290 PolarHBondContact O-N 2.79Å; I1287-I1290 CarbonylContact O-C 3.57Å; I1287-I1290 PolarHBondContact O-N 2.76Å; I1290-G1292 VanDerWaalsContact C-N 3.29Å; I1290-G1292 PolarHBondContact O-N 3.21Å; I1290-V1293 PolarHBondContact O-N 3.13Å; I1290-A1294 WeakPolarHBondContact O-CB 3.08Å; I1290-A1294 PolarHBondContact O-N 3.46Å
1291E84.1Confident78Confident112 Ų11284 Ų8452%0.52346%0.46SS..Hα-helixtrans-62.6-36.2173.3-74.2178.5163.500111.4I1287 S1295I1287-E1291 HydrophobicContact CG2-CG 4.13Å; I1287-E1291 WeakPolarHBondContact O-CB 3.45Å; I1287-E1291 WeakPolarHBondContact O-CG 3.41Å; I1287-E1291 PolarHBondContact O-N 2.72Å; E1291-S1295 WeakPolarHBondContact O-CA 3.25Å; E1291-S1295 WeakPolarHBondContact O-CB 3.46Å; E1291-S1295 PolarHBondContact O-N 2.71Å; E1291-S1295 PolarHBondContact O-OG 3.35Å
1292G81.4Confident78.8Confident29 Ų2985.9 Ų85.930%0.29947%0.469SS..Hα-helixtrans-63.8-49172.900000112.3M1288 L1289 I1290 S1295 I1296M1288-G1292 PolarHBondContact O-N 3.03Å; L1289-G1292 PolarHBondContact O-N 3.46Å; I1290-G1292 VanDerWaalsContact C-N 3.29Å; I1290-G1292 PolarHBondContact O-N 3.21Å; G1292-S1295 PolarHBondContact O-N 3.01Å; G1292-I1296 WeakPolarHBondContact O-CB 3.47Å; G1292-I1296 VanDerWaalsContact O-CG1 3.28Å; G1292-I1296 WeakPolarHBondContact O-CG1 3.46Å; G1292-I1296 PolarHBondContact O-N 3.34Å
1293V83.8Confident78.9Confident76 Ų7690.6 Ų90.646%0.46149%0.487SS..Hα-helixtrans-64.9-41.1175.6171.70000111.3L1289 I1290 S1295 I1296 L1297L1289-V1293 HydrophobicContact CD2-CG2 4.24Å; L1289-V1293 WeakPolarHBondContact O-CG2 3.32Å; L1289-V1293 PolarHBondContact O-N 2.7Å; I1290-V1293 PolarHBondContact O-N 3.13Å; V1293-S1295 VanDerWaalsContact C-N 3.32Å; V1293-S1295 PolarHBondContact O-N 3.37Å; V1293-I1296 PolarHBondContact O-N 3.43Å; V1293-L1297 HydrophobicContact CG1-CD1 4.12Å; V1293-L1297 WeakPolarHBondContact O-CB 3.26Å; V1293-L1297 WeakPolarHBondContact O-CG 3.38Å; V1293-L1297 PolarHBondContact O-N 3.39Å
1294A83.7Confident78.5Confident54 Ų5491.8 Ų91.845%0.44650%0.498SS..Hα-helixtrans-66.1-33.5174.800000112.2I1290 L1298I1290-A1294 WeakPolarHBondContact O-CB 3.08Å; I1290-A1294 PolarHBondContact O-N 3.46Å; A1294-L1298 WeakPolarHBondContact O-CA 3.38Å; A1294-L1298 PolarHBondContact O-N 2.92Å
1295S80.8Confident77.7Confident69 Ų6997 Ų9748%0.48351%0.509SS..Hα-helixtrans-73.6-34.5173.7-63.90000112.1E1291 G1292 V1293 L1298 L1299E1291-S1295 WeakPolarHBondContact O-CA 3.25Å; E1291-S1295 WeakPolarHBondContact O-CB 3.46Å; E1291-S1295 PolarHBondContact O-N 2.71Å; E1291-S1295 PolarHBondContact O-OG 3.35Å; G1292-S1295 PolarHBondContact O-N 3.01Å; V1293-S1295 VanDerWaalsContact C-N 3.32Å; V1293-S1295 PolarHBondContact O-N 3.37Å; S1295-L1298 CarbonylContact O-C 3.58Å; S1295-L1298 VanDerWaalsContact O-CA 3.28Å; S1295-L1298 WeakPolarHBondContact O-CA 3.28Å; S1295-L1298 PolarHBondContact O-N 3.21Å; S1295-L1299 WeakPolarHBondContact O-CB 3.3Å; S1295-L1299 PolarHBondContact O-N 3.15Å
1296I79.1Confident76.7Confident104 Ų10493.4 Ų93.453%0.53350%0.495SS..Hα-helixtrans-70.4-42.9173.5-70.9164000110.6G1292 V1293 L1298 L1299 L1300G1292-I1296 WeakPolarHBondContact O-CB 3.47Å; G1292-I1296 VanDerWaalsContact O-CG1 3.28Å; G1292-I1296 WeakPolarHBondContact O-CG1 3.46Å; G1292-I1296 PolarHBondContact O-N 3.34Å; V1293-I1296 PolarHBondContact O-N 3.43Å; I1296-L1298 VanDerWaalsContact C-N 3.29Å; I1296-L1299 PolarHBondContact O-N 2.84Å; I1296-L1299 VanDerWaalsContact O-N 3.15Å; I1296-L1300 HydrophobicContact CG2-CD1 4.06Å; I1296-L1300 HydrophobicContact CG2-CG 4.48Å; I1296-L1300 WeakPolarHBondContact O-CB 3.35Å; I1296-L1300 VanDerWaalsContact O-CG 3.31Å; I1296-L1300 WeakPolarHBondContact O-CG 3.24Å; I1296-L1300 PolarHBondContact O-N 3.32Å
1297L79.9Confident75.5Confident102 Ų10296.1 Ų96.153%0.53451%0.507SS..Hα-helixtrans-62.4-40.3169.5-73.6167.5000111V1293 L1300 V1301V1293-L1297 HydrophobicContact CG1-CD1 4.12Å; V1293-L1297 WeakPolarHBondContact O-CB 3.26Å; V1293-L1297 WeakPolarHBondContact O-CG 3.38Å; V1293-L1297 PolarHBondContact O-N 3.39Å; L1297-L1300 PolarHBondContact O-N 2.96Å; L1297-V1301 VanDerWaalsContact O-CB 3.29Å; L1297-V1301 WeakPolarHBondContact O-CB 3.46Å; L1297-V1301 VanDerWaalsContact O-CG2 3.25Å; L1297-V1301 WeakPolarHBondContact O-CG2 3.47Å; L1297-V1301 PolarHBondContact O-N 3.04Å
1298L80Confident73.9Confident102 Ų10299.4 Ų99.453%0.53451%0.514SS..Hα-helixtrans-38.9-63.2161166.6174.1000111.9A1294 S1295 I1296 V1301 I1302A1294-L1298 WeakPolarHBondContact O-CA 3.38Å; A1294-L1298 PolarHBondContact O-N 2.92Å; S1295-L1298 CarbonylContact O-C 3.58Å; S1295-L1298 VanDerWaalsContact O-CA 3.28Å; S1295-L1298 WeakPolarHBondContact O-CA 3.28Å; S1295-L1298 PolarHBondContact O-N 3.21Å; I1296-L1298 VanDerWaalsContact C-N 3.29Å; L1298-V1301 HydrophobicContact CB-CB 4.48Å; L1298-V1301 CarbonylContact O-C 3.52Å; L1298-V1301 PolarHBondContact O-N 3.15Å; L1298-I1302 HydrophobicContact CD1-CD1 4.4Å; L1298-I1302 HydrophobicContact CD2-CD1 4.16Å; L1298-I1302 HydrophobicContact CG-CD1 3.79Å; L1298-I1302 HydrophobicContact CG-CG1 4.19Å; L1298-I1302 WeakPolarHBondContact O-CB 3.41Å; L1298-I1302 VanDerWaalsContact O-CG1 3.28Å; L1298-I1302 WeakPolarHBondContact O-CG1 3.46Å; L1298-I1302 PolarHBondContact O-N 3.32Å
1299L76.7Confident72.1Confident99 Ų99100 Ų10052%0.51851%0.51SS..Hα-helixtrans-67-43.4-174.6-134.9154.4000111.6S1295 I1296 V1301 I1302 E1303S1295-L1299 WeakPolarHBondContact O-CB 3.3Å; S1295-L1299 PolarHBondContact O-N 3.15Å; I1296-L1299 PolarHBondContact O-N 2.84Å; I1296-L1299 VanDerWaalsContact O-N 3.15Å; L1299-V1301 PolarHBondContact O-N 2.74Å; L1299-I1302 CarbonylContact O-C 3.59Å; L1299-I1302 WeakPolarHBondContact O-CA 3.17Å; L1299-I1302 PolarHBondContact O-N 3.12Å; L1299-I1302 VanDerWaalsContact O-N 3.11Å; L1299-E1303 HydrophobicContact CD2-CG 4.1Å; L1299-E1303 WeakPolarHBondContact O-CB 3.46Å; L1299-E1303 WeakPolarHBondContact O-CG 3.44Å; L1299-E1303 PolarHBondContact O-N 2.59Å
1300L74.8Confident70.2Confident97 Ų97101 Ų10151%0.50851%0.51SS..Hα-helixtrans-63.5-38.4174.4-70.5169000112.2I1296 L1297 E1303 H1304I1296-L1300 HydrophobicContact CG2-CD1 4.06Å; I1296-L1300 HydrophobicContact CG2-CG 4.48Å; I1296-L1300 WeakPolarHBondContact O-CB 3.35Å; I1296-L1300 VanDerWaalsContact O-CG 3.31Å; I1296-L1300 WeakPolarHBondContact O-CG 3.24Å; I1296-L1300 PolarHBondContact O-N 3.32Å; L1297-L1300 PolarHBondContact O-N 2.96Å; L1300-E1303 PolarHBondContact O-N 2.87Å; L1300-H1304 VanDerWaalsContact O-CB 3.26Å; L1300-H1304 WeakPolarHBondContact O-CB 3.45Å; L1300-H1304 PolarHBondContact O-N 3.5Å
1301V77.6Confident68.4Low67 Ų6798.5 Ų98.541%0.40651%0.505SS..Hα-helixtrans-71.1-34.3172.31700000110.8L1297 L1298 L1299 R1305L1297-V1301 VanDerWaalsContact O-CB 3.29Å; L1297-V1301 WeakPolarHBondContact O-CB 3.46Å; L1297-V1301 VanDerWaalsContact O-CG2 3.25Å; L1297-V1301 WeakPolarHBondContact O-CG2 3.47Å; L1297-V1301 PolarHBondContact O-N 3.04Å; L1298-V1301 HydrophobicContact CB-CB 4.48Å; L1298-V1301 CarbonylContact O-C 3.52Å; L1298-V1301 PolarHBondContact O-N 3.15Å; L1299-V1301 PolarHBondContact O-N 2.74Å; V1301-R1305 HydrophobicContact CG1-CG 4.23Å; V1301-R1305 WeakPolarHBondContact O-CA 3.31Å; V1301-R1305 WeakPolarHBondContact O-CB 3.21Å; V1301-R1305 VanDerWaalsContact O-CG 3.25Å; V1301-R1305 WeakPolarHBondContact O-CG 3.5Å; V1301-R1305 PolarHBondContact O-N 2.95Å
1302I75.6Confident66.4Low101 Ų101101.9 Ų101.952%0.51851%0.513SS..Hα-helixtrans-73.5-25.1174.3-75.6171.8000112.1L1298 L1299 G1306L1298-I1302 HydrophobicContact CD1-CD1 4.4Å; L1298-I1302 HydrophobicContact CD2-CD1 4.16Å; L1298-I1302 HydrophobicContact CG-CD1 3.79Å; L1298-I1302 HydrophobicContact CG-CG1 4.19Å; L1298-I1302 WeakPolarHBondContact O-CB 3.41Å; L1298-I1302 VanDerWaalsContact O-CG1 3.28Å; L1298-I1302 WeakPolarHBondContact O-CG1 3.46Å; L1298-I1302 PolarHBondContact O-N 3.32Å; L1299-I1302 CarbonylContact O-C 3.59Å; L1299-I1302 WeakPolarHBondContact O-CA 3.17Å; L1299-I1302 PolarHBondContact O-N 3.12Å; L1299-I1302 VanDerWaalsContact O-N 3.11Å; I1302-G1306 WeakPolarHBondContact O-CA 3.47Å; I1302-G1306 PolarHBondContact O-N 3.16Å
1303E69.2Low64.6Low115 Ų115104.3 Ų104.354%0.53752%0.518SS..Hα-helixtrans-82-46.9171.8-75.7-175.6145.300110.9L1299 L1300 R1305 G1306 D1307L1299-E1303 HydrophobicContact CD2-CG 4.1Å; L1299-E1303 WeakPolarHBondContact O-CB 3.46Å; L1299-E1303 WeakPolarHBondContact O-CG 3.44Å; L1299-E1303 PolarHBondContact O-N 2.59Å; L1300-E1303 PolarHBondContact O-N 2.87Å; E1303-R1305 PolarHBondContact O-N 3.32Å; E1303-G1306 CarbonylContact O-C 3.32Å; E1303-G1306 VanDerWaalsContact O-CA 3.3Å; E1303-G1306 WeakPolarHBondContact O-CA 3.37Å; E1303-G1306 PolarHBondContact O-N 2.92Å; E1303-D1307 PolarHBondContact O-N 3.48Å
1304H64.7Low62.7Low157 Ų157107.4 Ų107.473%0.72753%0.532SS*.Hα-helixtrans-68.1-35.6177.3-171.977000113L1300 R1308L1300-H1304 VanDerWaalsContact O-CB 3.26Å; L1300-H1304 WeakPolarHBondContact O-CB 3.45Å; L1300-H1304 PolarHBondContact O-N 3.5Å; H1304-R1308 PolarHBondContact NE2-NH2 3.4Å; H1304-R1308 WeakPolarHBondContact O-CG 3.44Å
1305R60.4Low60.7Low171 Ų171114 Ų11465%0.64555%0.55SS**Hα-helixtrans-75.6-28.8163.2-68.9-177172.6-167.9-0.3111.1V1301 E1303 R1308 Y1309V1301-R1305 HydrophobicContact CG1-CG 4.23Å; V1301-R1305 WeakPolarHBondContact O-CA 3.31Å; V1301-R1305 WeakPolarHBondContact O-CB 3.21Å; V1301-R1305 VanDerWaalsContact O-CG 3.25Å; V1301-R1305 WeakPolarHBondContact O-CG 3.5Å; V1301-R1305 PolarHBondContact O-N 2.95Å; E1303-R1305 PolarHBondContact O-N 3.32Å; R1305-R1308 CarbonylContact O-C 3.57Å; R1305-R1308 WeakPolarHBondContact O-CA 3.36Å; R1305-R1308 WeakPolarHBondContact O-CB 2.93Å; R1305-R1308 PolarHBondContact O-N 3.16Å; R1305-R1308 VanDerWaalsContact O-N 3.15Å; R1305-Y1309 WeakPolarHBondContact O-CB 3.19Å; R1305-Y1309 PolarHBondContact O-N 3.49Å
1306G53.3Low58.4Low15 Ų15119.7 Ų119.716%0.15557%0.567CS.*Hα-helixtrans-70.9-31.2-175.400000114.1I1302 E1303 Y1309 K1310I1302-G1306 WeakPolarHBondContact O-CA 3.47Å; I1302-G1306 PolarHBondContact O-N 3.16Å; E1303-G1306 CarbonylContact O-C 3.32Å; E1303-G1306 VanDerWaalsContact O-CA 3.3Å; E1303-G1306 WeakPolarHBondContact O-CA 3.37Å; E1303-G1306 PolarHBondContact O-N 2.92Å; G1306-Y1309 PolarHBondContact O-N 2.81Å; G1306-K1310 WeakPolarHBondContact O-CA 3.4Å; G1306-K1310 WeakPolarHBondContact O-CB 3.45Å; G1306-K1310 WeakPolarHBondContact O-CG 3.48Å; G1306-K1310 PolarHBondContact O-N 3.21Å
1307D51.4Low55.9Low112 Ų112123.7 Ų123.760%0.59958%0.575SS**Hα-helixtrans-72.9-37.1167.1-80-15.5000110.7E1303 Y1309 A1311E1303-D1307 PolarHBondContact O-N 3.48Å; D1307-Y1309 VanDerWaalsContact C-N 3.29Å; D1307-Y1309 PolarHBondContact O-N 3.01Å; D1307-A1311 WeakPolarHBondContact O-CB 3.18Å; D1307-A1311 PolarHBondContact O-N 3.02Å
1308R48Very low53.6Low147 Ų147124.7 Ų124.756%0.55559%0.59SS**Hα-helixtrans-65.4-31170-58.3179.1-169.4-150.5-1112.6H1304 R1305 R1312H1304-R1308 PolarHBondContact NE2-NH2 3.4Å; H1304-R1308 WeakPolarHBondContact O-CG 3.44Å; R1305-R1308 CarbonylContact O-C 3.57Å; R1305-R1308 WeakPolarHBondContact O-CA 3.36Å; R1305-R1308 WeakPolarHBondContact O-CB 2.93Å; R1305-R1308 PolarHBondContact O-N 3.16Å; R1305-R1308 VanDerWaalsContact O-N 3.15Å; R1308-R1312 WeakPolarHBondContact O-CB 3.26Å; R1308-R1312 VanDerWaalsContact O-CG 3.29Å; R1308-R1312 WeakPolarHBondContact O-CG 3.43Å; R1308-R1312 PolarHBondContact O-N 2.63Å
1309Y44.5Very low51.1Low152 Ų152125.3 Ų125.360%0.59660%0.601SS**Hα-helixtrans-89.1-34.7-178.3-120.3-92.7000112.2R1305 G1306 D1307 R1312 L1313R1305-Y1309 WeakPolarHBondContact O-CB 3.19Å; R1305-Y1309 PolarHBondContact O-N 3.49Å; G1306-Y1309 PolarHBondContact O-N 2.81Å; D1307-Y1309 VanDerWaalsContact C-N 3.29Å; D1307-Y1309 PolarHBondContact O-N 3.01Å; Y1309-R1312 CarbonylContact O-C 3.6Å; Y1309-R1312 PolarHBondContact O-N 3.41Å; Y1309-L1313 HydrophobicContact CD1-CD1 3.89Å; Y1309-L1313 HydrophobicContact CE1-CD1 4.07Å; Y1309-L1313 WeakPolarHBondContact O-CB 3.17Å; Y1309-L1313 PolarHBondContact O-N 3.21Å
1310K41.7Very low48.7Very low134 Ų134124.1 Ų124.158%0.58361%0.612SS**Hα-helixtrans-63.4-44.6165.1-75.8168.4-175.8166.70109.3G1306 R1312 L1313 L1314G1306-K1310 WeakPolarHBondContact O-CA 3.4Å; G1306-K1310 WeakPolarHBondContact O-CB 3.45Å; G1306-K1310 WeakPolarHBondContact O-CG 3.48Å; G1306-K1310 PolarHBondContact O-N 3.21Å; K1310-R1312 VanDerWaalsContact C-N 3.29Å; K1310-R1312 PolarHBondContact O-N 2.73Å; K1310-L1313 PolarHBondContact O-N 3.03Å; K1310-L1314 HydrophobicContact CB-CD1 4.33Å; K1310-L1314 WeakPolarHBondContact O-CB 3.41Å; K1310-L1314 WeakPolarHBondContact O-CD1 3.48Å; K1310-L1314 WeakPolarHBondContact O-CG 3.06Å; K1310-L1314 PolarHBondContact O-N 2.74Å
1311A45.5Very low46.5Very low53 Ų53129.2 Ų129.244%0.43863%0.633SS.*Hα-helixtrans-56.1-43.117100000111.7D1307 F1315D1307-A1311 WeakPolarHBondContact O-CB 3.18Å; D1307-A1311 PolarHBondContact O-N 3.02Å; A1311-F1315 WeakPolarHBondContact O-CB 3.25Å; A1311-F1315 VanDerWaalsContact O-CD2 3.29Å; A1311-F1315 WeakPolarHBondContact O-CD2 3.3Å; A1311-F1315 PolarHBondContact O-N 2.74Å
1312R43.3Very low44Very low183 Ų183133.1 Ų133.169%0.69165%0.647SS**Hα-helixtrans-76.4-29.5177.5-74.8175.2175.5-171.6-2.5115.2R1308 Y1309 K1310 K1316R1308-R1312 WeakPolarHBondContact O-CB 3.26Å; R1308-R1312 VanDerWaalsContact O-CG 3.29Å; R1308-R1312 WeakPolarHBondContact O-CG 3.43Å; R1308-R1312 PolarHBondContact O-N 2.63Å; Y1309-R1312 CarbonylContact O-C 3.6Å; Y1309-R1312 PolarHBondContact O-N 3.41Å; K1310-R1312 VanDerWaalsContact C-N 3.29Å; K1310-R1312 PolarHBondContact O-N 2.73Å; R1312-K1316 PolarHBondContact O-N 2.9Å
1313L43.5Very low41.5Very low80 Ų80139 Ų13942%0.41966%0.663SS.*Hα-helixtrans-86.5-34.9178.8-117.584.2000112.7Y1309 K1310 F1315 K1316 R1317Y1309-L1313 HydrophobicContact CD1-CD1 3.89Å; Y1309-L1313 HydrophobicContact CE1-CD1 4.07Å; Y1309-L1313 WeakPolarHBondContact O-CB 3.17Å; Y1309-L1313 PolarHBondContact O-N 3.21Å; K1310-L1313 PolarHBondContact O-N 3.03Å; L1313-F1315 PolarHBondContact O-N 2.96Å; L1313-K1316 CarbonylContact O-C 3.55Å; L1313-K1316 PolarHBondContact O-N 3.32Å; L1313-R1317 PolarHBondContact O-N 3.49Å
1314L42.6Very low39.4Very low141 Ų141139.6 Ų139.674%0.73868%0.68SS**Hα-helixtrans-63.2-26.5170.1-68.8167.1000111K1310K1310-L1314 HydrophobicContact CB-CD1 4.33Å; K1310-L1314 WeakPolarHBondContact O-CB 3.41Å; K1310-L1314 WeakPolarHBondContact O-CD1 3.48Å; K1310-L1314 WeakPolarHBondContact O-CG 3.06Å; K1310-L1314 PolarHBondContact O-N 2.74Å
1315F43.2Very low37.6Very low192 Ų192137.3 Ų137.384%0.84268%0.682SS**THydrogen-bonded Turntrans-83.7-1.9168.2-93.1-94.8000115.1A1311 L1313A1311-F1315 WeakPolarHBondContact O-CB 3.25Å; A1311-F1315 VanDerWaalsContact O-CD2 3.29Å; A1311-F1315 WeakPolarHBondContact O-CD2 3.3Å; A1311-F1315 PolarHBondContact O-N 2.74Å; L1313-F1315 PolarHBondContact O-N 2.96Å
1316K31.3Very low35.9Very low189 Ų189138.7 Ų138.782%0.82269%0.687SS**THydrogen-bonded Turntrans-135.51.4-178.9-102-171.3174.6-173.30117.1R1312 L1313R1312-K1316 PolarHBondContact O-N 2.9Å; L1313-K1316 CarbonylContact O-C 3.55Å; L1313-K1316 PolarHBondContact O-N 3.32Å
1317R27.7Very low34.7Very low189 Ų189145 Ų14571%0.71371%0.712SS**  trans-13889.8176.5-108.8-177.8174.9176.9-1.6112.5L1313L1313-R1317 PolarHBondContact O-N 3.49Å
1318S31Very low33.6Very low122 Ų122145 Ų14585%0.85372%0.717SS**  trans-151.156.4149.5-73.90000112.6
1319P27.3Very low32.7Very low116 Ų116144.1 Ų144.175%0.75372%0.723SS**  trans-84.8130.1164.334.4-30.6000110.9
1320G27.1Very low32Very low74 Ų74144.4 Ų144.476%0.76373%0.73SS**  trans94.396.5158.200000117.8
1321Q27.5Very low31.4Very low203 Ų203143 Ų14395%0.94974%0.737SS**  trans-135.6138.8134.9-153.9166.59.800107.3
1322Q25.3Very low30.5Very low150 Ų150145.6 Ų145.670%0.70175%0.752SS**  trans-117.4155.1-157.2-76.6-170.8-7.500114.7
1323R24.2Very low30.1Very low223 Ų223142.7 Ų142.784%0.84276%0.757SS**  trans56.7102.7145.6-72.4167.1165.9166.5-10118.7
1324S24.7Very low29.3Very low129 Ų129145 Ų14590%0.90277%0.774SS**  -144.6169.910568.40000109.2
1325S26.1Very low28.6Very low109 Ų109147.3 Ų147.376%0.76278%0.781SS**  trans-134.9138.2-160.754.70000113.5
1326R24.8Very low27.8Very low200 Ų200146.2 Ų146.276%0.75578%0.776SS**  -177.3142.3118.3-102.3-170.8155.6125.21.2113.3
1327E28.4Very low27.6Very low147 Ų147145.5 Ų145.569%0.68778%0.776SS**  trans35.6137133.1-66.5147.1-143.900119.6
1328T28.3Very low27.5Very low112 Ų112146.3 Ų146.369%0.68778%0.784SS**  cis-146.4150.916.929.90000113.9
1329N28.9Very low27.3Very low129 Ų129146.5 Ų146.569%0.6978%0.78SS**  trans58147.3140.8-57.625000120.3
1330E29.6Very low27.4Very low158 Ų158147.9 Ų147.974%0.73878%0.78SS**  cis-150.5166.56.1-142.2149.5-112.800112.8
1331S28.3Very low27.8Very low105 Ų105148.4 Ų148.473%0.73477%0.77SS**  trans46.8134.1159.858.30000121.1
1332S28.2Very low27.9Very low107 Ų107145 Ų14575%0.74875%0.753SS**  cis-174.2157.5-21.536.40000107
1333P35Very low28.7Very low122 Ų122143.3 Ų143.379%0.79275%0.754SS**  trans-91.8153.7-17635.7-34.6000113.3
1334T26.2Very low29.8Very low128 Ų128140.2 Ų140.279%0.78575%0.749SS**  trans-159.8138.9148.8-11.50000111K1336T1334-K1336 PolarHBondContact O-N 2.58Å
1335E27.6Very low31.1Very low190 Ų190140.3 Ų140.389%0.88874%0.735SS**  trans-71.7122.1162.8-64.8167.7105.900108.7
1336K25.4Very low32.4Very low169 Ų169140 Ų14074%0.73572%0.722SS**  trans-160.2110.8164.8-111.7154.2-170.9178.70112.5T1334T1334-K1336 PolarHBondContact O-N 2.58Å
1337E27.1Very low34.5Very low173 Ų173136.2 Ų136.281%0.80871%0.713SS**  trans61.2143.2151.6-62.5176.9118.800120.3V1339E1337-V1339 VanDerWaalsContact C-N 3.27Å; E1337-V1339 PolarHBondContact O-N 2.86Å
1338K26.3Very low36.7Very low206 Ų206130.8 Ų130.890%0.89669%0.69SS**  trans-77.278.6168.4-66.2171.8-179.9171.10108.8L1340K1338-L1340 PolarHBondContact O-N 3.18Å
1339V28Very low39.2Very low126 Ų126126 Ų12676%0.76466%0.66SS**PPolyproline II helixtrans-61.9122173.3-176.30000108.4E1337E1337-V1339 VanDerWaalsContact C-N 3.27Å; E1337-V1339 PolarHBondContact O-N 2.86Å
1340L27.6Very low42Very low146 Ų146119.9 Ų119.976%0.76463%0.627SS**PPolyproline II helixtrans-60.9148.9171.2-79.376.1000109K1338 K1342K1338-L1340 PolarHBondContact O-N 3.18Å; L1340-K1342 PolarHBondContact O-N 2.85Å
1341P35.4Very low44.7Very low85 Ų85115.9 Ų115.955%0.55261%0.607SS**PPolyproline II helixtrans-54.2139.317225.6-34.6000109.7
1342K31.5Very low47.6Very low132 Ų132110.9 Ų110.957%0.57457%0.572SS**PPolyproline II helixtrans-64147.8172.1-70.4-177.6176.7-176.60108.8L1340 E1344 E1345L1340-K1342 PolarHBondContact O-N 2.85Å; K1342-E1344 PolarHBondContact O-N 2.81Å; K1342-E1345 PolarHBondContact O-N 2.7Å
1343P42Very low50.4Low113 Ų113108.9 Ų108.973%0.73455%0.553SS**G310 helixtrans-52.6-33177.1-27.335.1000113.4E1345 E1346P1343-E1345 VanDerWaalsContact C-N 3.25Å; P1343-E1345 PolarHBondContact O-N 3.22Å; P1343-E1346 WeakPolarHBondContact O-CB 3.05Å; P1343-E1346 PolarHBondContact O-N 3.07Å
1344E46.8Very low52.8Low159 Ų159108 Ų10874%0.74354%0.541SS*.G310 helixtrans-66.5-18.1179.1-58.817214300114.1K1342K1342-E1344 PolarHBondContact O-N 2.81Å
1345E52Low55.8Low130 Ų130101.9 Ų101.961%0.60750%0.504SS*.G310 helixtrans-92.6-5.5175.9-65.9-167.112100113.1K1342 P1343 E1347K1342-E1345 PolarHBondContact O-N 2.7Å; P1343-E1345 VanDerWaalsContact C-N 3.25Å; P1343-E1345 PolarHBondContact O-N 3.22Å; E1345-E1347 VanDerWaalsContact C-N 3.26Å; E1345-E1347 PolarHBondContact O-N 2.69Å
1346E52.8Low58.7Low103 Ų10393 Ų9348%0.48146%0.462SS..THydrogen-bonded Turntrans-75.2-7.2-177.9-64.4-150.2147.800114.7P1343 R1415P1343-E1346 WeakPolarHBondContact O-CB 3.05Å; P1343-E1346 PolarHBondContact O-N 3.07Å; E1346-R1415 PolarHBondContact O-NH1 2.72Å; E1346-R1415 PolarHBondContact O-NH2 3.13Å
1347E68.3Low61.7Low121 Ų12186.3 Ų86.357%0.56543%0.434SS*.THydrogen-bonded Turntrans-90.8-19.1-176.9-61.9-166.115100114.2E1345 Q1379 R1380E1345-E1347 VanDerWaalsContact C-N 3.26Å; E1345-E1347 PolarHBondContact O-N 2.69Å; E1347-Q1379 CarbonylContact O-C 3.56Å; E1347-Q1379 WeakPolarHBondContact O-CA 3.46Å; E1347-R1380 WeakPolarHBondContact O-CB 3.15Å; E1347-R1380 PolarHBondContact O-N 2.77Å
1348V75.3Confident64.4Low33 Ų3380.9 Ų80.920%0.241%0.408CS..EExtended strand (participates in β ladder)trans-85122.3-173.5-1760000111.4K1351 E1377V1348-K1351 HydrophobicContact CG1-CB 4.13Å; V1348-K1351 HydrophobicContact CG1-CD 4.45Å; V1348-E1377 HydrophobicContact CG1-CB 4.08Å
1349M81.5Confident66.9Low11 Ų1174.7 Ų74.75%0.05438%0.379CS..EExtended strand (participates in β ladder)trans-98.1-33.6-177.6-68.8-60.3-5800113.2V1378 R1380 F1416 S1504 A1536M1349-V1378 PolarHBondContact N-O 2.89Å; M1349-R1380 HydrophobicContact CG-CB 3.84Å; M1349-R1380 HydrophobicContact CG-CG 4.33Å; M1349-R1380 HydrophobicContact SD-CB 4.43Å; M1349-F1416 HydrophobicContact CE-CE2 4.05Å; M1349-F1416 HydrophobicContact CE-CZ 4.31Å; M1349-S1504 WeakPolarHBondContact CE-OG 3.4Å; M1349-A1536 HydrophobicContact CB-CB 3.74Å; M1349-A1536 HydrophobicContact CG-CB 3.98Å
1350L86.7Confident68.5Low0 Ų073.2 Ų73.20%038%0.375CS..EExtended strand (participates in β ladder)trans-136.6128.1178172.666.3000109.4V1352 F1376 E1377 V1378 I1401 V1412 L1414 L1505 L1538L1350-V1352 HydrophobicContact CD1-CG2 4.04Å; L1350-V1352 HydrophobicContact CD2-CG2 4.37Å; L1350-V1352 HydrophobicContact CG-CG2 4.08Å; L1350-F1376 HydrophobicContact CD2-CE2 4Å; L1350-F1376 HydrophobicContact CD2-CZ 4.4Å; L1350-E1377 CarbonylContact O-C 3.57Å; L1350-E1377 WeakPolarHBondContact O-CA 3.45Å; L1350-E1377 WeakPolarHBondContact O-CB 3.49Å; L1350-V1378 HydrophobicContact CB-CB 4.27Å; L1350-V1378 HydrophobicContact CB-CG2 4.41Å; L1350-V1378 HydrophobicContact CD2-CG2 4.07Å; L1350-V1378 PolarHBondContact N-O 3.39Å; L1350-V1378 PolarHBondContact O-N 2.87Å; L1350-I1401 HydrophobicContact CD1-CG2 4.2Å; L1350-I1401 HydrophobicContact CD2-CD1 4.28Å; L1350-V1412 HydrophobicContact CD1-CG1 3.76Å; L1350-L1414 HydrophobicContact CD1-CD2 3.72Å; L1350-L1505 HydrophobicContact CB-CD1 4.27Å; L1350-L1505 HydrophobicContact CB-CD2 3.97Å; L1350-L1505 HydrophobicContact CD1-CD2 4.25Å; L1350-L1505 HydrophobicContact CD2-CD1 4.46Å; L1350-L1505 HydrophobicContact CD2-CD2 4.3Å; L1350-L1505 HydrophobicContact CG-CD2 4.4Å; L1350-L1538 HydrophobicContact CD2-CD2 4.23Å
1351K87.5Confident69.8Low75 Ų7572.3 Ų72.333%0.32637%0.365SS..EExtended strand (participates in β ladder)trans-130.3115.6175.5-164.4161.6-170.6133.40110.6V1348 L1353 E1377 L1413V1348-K1351 HydrophobicContact CG1-CB 4.13Å; V1348-K1351 HydrophobicContact CG1-CD 4.45Å; K1351-L1353 HydrophobicContact CG-CD2 4.38Å; K1351-L1353 HydrophobicContact CG-CG 4.47Å; K1351-E1377 HydrophobicContact CB-CB 4.43Å; K1351-E1377 WeakPolarHBondContact CD-OE2 3.32Å; K1351-E1377 WeakPolarHBondContact CE-OE2 3.31Å; K1351-E1377 HydrophobicContact CG-CB 4.2Å; K1351-E1377 IonicContact NZ-OE2 2.66Å; K1351-E1377 PolarHBondContact NZ-OE2 2.81Å; K1351-L1413 HydrophobicContact CB-CB 4.33Å; K1351-L1413 PolarHBondContact N-O 3.02Å; K1351-L1413 PolarHBondContact O-N 3.06Å
1352V87.5Confident70.2Confident0 Ų074.2 Ų74.20%038%0.379CS..EExtended strand (participates in β ladder)trans-109.2128.4-176.5-178.90000109L1350 L1355 C1375 F1376 I1401 V1412L1350-V1352 HydrophobicContact CD1-CG2 4.04Å; L1350-V1352 HydrophobicContact CD2-CG2 4.37Å; L1350-V1352 HydrophobicContact CG-CG2 4.08Å; V1352-L1355 HydrophobicContact CG1-CB 3.57Å; V1352-L1355 HydrophobicContact CG1-CD2 3.64Å; V1352-L1355 HydrophobicContact CG1-CG 4.18Å; V1352-C1375 VanDerWaalsContact O-CA 3.25Å; V1352-C1375 WeakPolarHBondContact O-CA 3.42Å; V1352-F1376 HydrophobicContact CB-CD1 3.85Å; V1352-F1376 HydrophobicContact CB-CE1 3.81Å; V1352-F1376 HydrophobicContact CB-CG 4.4Å; V1352-F1376 HydrophobicContact CB-CZ 4.32Å; V1352-F1376 HydrophobicContact CG1-CD1 4.17Å; V1352-F1376 HydrophobicContact CG1-CE1 3.96Å; V1352-F1376 HydrophobicContact CG2-CD1 4.16Å; V1352-F1376 HydrophobicContact CG2-CE1 3.69Å; V1352-F1376 HydrophobicContact CG2-CE2 4.17Å; V1352-F1376 HydrophobicContact CG2-CZ 3.71Å; V1352-F1376 PolarHBondContact N-O 3.23Å; V1352-F1376 PolarHBondContact O-N 3.33Å; V1352-I1401 HydrophobicContact CG2-CD1 4.49Å; V1352-V1412 HydrophobicContact CG1-CG2 4.42Å; V1352-V1412 HydrophobicContact CG2-CG1 4.41Å; V1352-V1412 HydrophobicContact CG2-CG2 4.44Å
1353L87Confident70.8Confident64 Ų6476.4 Ų76.434%0.33539%0.389SS..EExtended strand (participates in β ladder)trans-133119-172.3-59.7172.8000111.4K1351 L1355 G1410 S1411 L1413K1351-L1353 HydrophobicContact CG-CD2 4.38Å; K1351-L1353 HydrophobicContact CG-CG 4.47Å; L1353-L1355 PolarHBondContact O-N 3.39Å; L1353-L1355 VanDerWaalsContact O-N 3.13Å; L1353-G1410 CarbonylContact O-C 3.44Å; L1353-G1410 WeakPolarHBondContact O-CA 3.44Å; L1353-S1411 PolarHBondContact N-O 2.92Å; L1353-S1411 PolarHBondContact O-N 3.15Å; L1353-L1413 HydrophobicContact CD1-CD1 4.07Å
1354N87.2Confident71.2Confident104 Ų10483.5 Ų83.556%0.55640%0.401SS*.EExtended strand (participates in β ladder)trans49.435.3177.4-72.9-36.2000114.5S1356 I1374 C1375 K1409 G1410N1354-S1356 PolarHBondContact O-N 3.02Å; N1354-I1374 PolarHBondContact N-O 2.9Å; N1354-C1375 PolarHBondContact N-SG 2.88Å; N1354-K1409 CarbonylContact O-C 3.57Å; N1354-G1410 VanDerWaalsContact O-CA 3.26Å; N1354-G1410 WeakPolarHBondContact O-CA 3.02Å; N1354-G1410 PolarHBondContact O-N 2.8Å
1355L87.8Confident71.4Confident0 Ų080 Ų800%039%0.39CS..EExtended strand (participates in β ladder)trans-66.3126.8-175.6-172.265.4000110.6V1352 L1353 V1371 G1373 I1374 I1397 M1400 K1407 V1412V1352-L1355 HydrophobicContact CG1-CB 3.57Å; V1352-L1355 HydrophobicContact CG1-CD2 3.64Å; V1352-L1355 HydrophobicContact CG1-CG 4.18Å; L1353-L1355 PolarHBondContact O-N 3.39Å; L1353-L1355 VanDerWaalsContact O-N 3.13Å; L1355-V1371 WeakPolarHBondContact O-CG1 3.44Å; L1355-G1373 PolarHBondContact O-N 2.9Å; L1355-I1374 PolarHBondContact N-O 3.16Å; L1355-I1374 PolarHBondContact O-N 2.74Å; L1355-I1397 HydrophobicContact CD2-CG2 4.38Å; L1355-M1400 HydrophobicContact CD1-CB 4.3Å; L1355-M1400 HydrophobicContact CD1-CE 4.27Å; L1355-M1400 HydrophobicContact CD1-SD 3.87Å; L1355-M1400 HydrophobicContact CD2-CB 4.1Å; L1355-M1400 HydrophobicContact CD2-CE 3.73Å; L1355-M1400 HydrophobicContact CD2-SD 4.33Å; L1355-M1400 HydrophobicContact CG-CE 3.67Å; L1355-M1400 HydrophobicContact CG-SD 3.94Å; L1355-K1407 HydrophobicContact CD1-CB 3.6Å; L1355-K1407 HydrophobicContact CD1-CD 3.68Å; L1355-K1407 HydrophobicContact CD1-CG 4.23Å; L1355-V1412 HydrophobicContact CD1-CG2 3.95Å; L1355-V1412 HydrophobicContact CD2-CG2 4.26Å
1356S88.6Confident71.6Confident2 Ų276.7 Ų76.71%0.01439%0.391CS..EExtended strand (participates in β ladder)trans-137.3153.7175.987.70000113.3N1354 H1358 V1371 S1408 K1409N1354-S1356 PolarHBondContact O-N 3.02Å; S1356-H1358 PolarHBondContact OG-NE2 3.3Å; S1356-V1371 CarbonylContact C-O 3.58Å; S1356-V1371 VanDerWaalsContact CA-O 3.31Å; S1356-V1371 WeakPolarHBondContact CA-O 3.47Å; S1356-V1371 WeakPolarHBondContact CB-O 3.45Å; S1356-S1408 WeakPolarHBondContact O-CB 3.34Å; S1356-S1408 PolarHBondContact O-N 3.4Å; S1356-K1409 PolarHBondContact N-O 3Å; S1356-K1409 VanDerWaalsContact N-O 3.09Å; S1356-K1409 WeakPolarHBondContact OG-CB 3.3Å; S1356-K1409 PolarHBondContact OG-N 2.83Å
1357K88Confident72.1Confident30 Ų3081.9 Ų81.913%0.1341%0.406CS..EExtended strand (participates in β ladder)trans-138.4119.9172.4-172.460.6178.4-178.90111.4Y1359 A1370 V1371 T1396 M1400 I1405 K1406K1357-Y1359 HydrophobicContact CD-CE1 4.47Å; K1357-Y1359 HydrophobicContact CG-CD2 4.15Å; K1357-Y1359 HydrophobicContact CG-CE1 4.27Å; K1357-Y1359 HydrophobicContact CG-CE2 3.67Å; K1357-A1370 PolarHBondContact O-N 2.68Å; K1357-V1371 HydrophobicContact CB-CB 4.23Å; K1357-V1371 HydrophobicContact CB-CG2 4.49Å; K1357-V1371 PolarHBondContact N-O 3.15Å; K1357-V1371 PolarHBondContact O-N 3.11Å; K1357-T1396 HydrophobicContact CB-CG2 4Å; K1357-T1396 HydrophobicContact CG-CG2 3.91Å; K1357-M1400 HydrophobicContact CB-CE 3.99Å; K1357-M1400 HydrophobicContact CB-SD 3.76Å; K1357-M1400 HydrophobicContact CD-SD 4.49Å; K1357-M1400 HydrophobicContact CG-SD 4.47Å; K1357-I1405 HydrophobicContact CD-CG2 3.9Å; K1357-I1405 HydrophobicContact CG-CG2 4.49Å; K1357-K1406 PolarHBondContact NZ-O 3.06Å
1358H85.1Confident72.3Confident58 Ų5880.2 Ų80.227%0.26940%0.4SS..EExtended strand (participates in β ladder)trans-111.6133.3168.6-42.7-64.4000108.9S1356 D1372 S1408S1356-H1358 PolarHBondContact OG-NE2 3.3Å; H1358-D1372 IonicContact CE1-OD1 2.68Å; H1358-S1408 PolarHBondContact N-OG 2.79Å; H1358-S1408 VanDerWaalsContact N-OG 3.08Å
1359Y77.5Confident72.5Confident76 Ų7682 Ų8230%0.29841%0.411SS..EExtended strand (participates in β ladder)trans-107.6120.4172.9-65.6-79.8000109.9K1357 I1368 A1370 T1396 I1405K1357-Y1359 HydrophobicContact CD-CE1 4.47Å; K1357-Y1359 HydrophobicContact CG-CD2 4.15Å; K1357-Y1359 HydrophobicContact CG-CE1 4.27Å; K1357-Y1359 HydrophobicContact CG-CE2 3.67Å; Y1359-I1368 PolarHBondContact N-O 2.91Å; Y1359-I1368 PolarHBondContact O-N 3.3Å; Y1359-A1370 HydrophobicContact CD2-CB 3.81Å; Y1359-A1370 HydrophobicContact CE2-CB 3.53Å; Y1359-T1396 HydrophobicContact CE2-CG2 4.19Å; Y1359-T1396 WeakPolarHBondContact OH-CG2 3.49Å; Y1359-I1405 WeakPolarHBondContact OH-CD1 3.31Å
1360S62Low72.5Confident95 Ų9582.2 Ų82.266%0.66441%0.414SS*.  trans-94.2108.8168.9500000109.6
1361K55.4Low72.5Confident128 Ų12882.2 Ų82.256%0.55741%0.414SS*.  trans-67.5138.1164.9-77.6-176.9171.9-176.50109F1363 T1365K1361-F1363 PolarHBondContact O-N 2.64Å; K1361-T1365 WeakPolarHBondContact CD-OG1 3.45Å
1362C44.7Very low72.5Confident125 Ų12581.4 Ų81.485%0.84541%0.414SS*.SBendtrans-72.7-4.4-179.8-67.50000114.7
1363F44.2Very low72.3Confident178 Ų17883.1 Ų83.178%0.78143%0.432SS*.SBendtrans-133115.8-179.5-79-87.8000112.9K1361 T1365K1361-F1363 PolarHBondContact O-N 2.64Å; F1363-T1365 PolarHBondContact O-N 3.33Å; F1363-T1365 PolarHBondContact O-OG1 3.07Å; F1363-T1365 VanDerWaalsContact O-OG1 3.12Å
1364R50.1Low72.4Confident262 Ų26280.3 Ų80.399%0.98942%0.417SS*.SBendtrans46.10.8158.5-82.9-176172167.5-2.2120.9
1365T49.4Very low72.5Confident86 Ų8678.1 Ų78.153%0.52841%0.409SS..SBendtrans-119.7145.3179.146.60000111K1361 F1363K1361-T1365 WeakPolarHBondContact CD-OG1 3.45Å; F1363-T1365 PolarHBondContact O-N 3.33Å; F1363-T1365 PolarHBondContact O-OG1 3.07Å; F1363-T1365 VanDerWaalsContact O-OG1 3.12Å
1366G56.5Low72.6Confident60 Ų6078.8 Ų78.862%0.61941%0.412SS*.  trans-62.9168-164.600000116I1368G1366-I1368 PolarHBondContact O-N 3.39Å; G1366-I1368 VanDerWaalsContact O-N 3.16Å
1367R64Low72.6Confident211 Ų21181.8 Ų81.880%0.79643%0.426SS*.  trans-62.8114.2175.5-68179.5-179.9169.50.7109.8V1369R1367-V1369 PolarHBondContact O-N 2.79Å
1368I71.6Confident72.7Confident86 Ų8680.4 Ų80.444%0.44142%0.42SS..EExtended strand (participates in β ladder)trans-81.3115.8175.4-59.4174.3000107.8Y1359 G1366Y1359-I1368 PolarHBondContact N-O 2.91Å; Y1359-I1368 PolarHBondContact O-N 3.3Å; G1366-I1368 PolarHBondContact O-N 3.39Å; G1366-I1368 VanDerWaalsContact O-N 3.16Å
1369V80.7Confident72.7Confident70 Ų7081.7 Ų81.742%0.42443%0.426SS..EExtended strand (participates in β ladder)trans-87.4112.6172.6-174.90000107.7R1367 D1372R1367-V1369 PolarHBondContact O-N 2.79Å; V1369-D1372 HydrophobicContact CG1-CB 3.71Å
1370A81.2Confident73.1Confident16 Ų1685.6 Ų85.613%0.13244%0.44CS..EExtended strand (participates in β ladder)trans-99.4-25.8-177.600000112.9K1357 Y1359 G1393 T1396 G1560K1357-A1370 PolarHBondContact O-N 2.68Å; Y1359-A1370 HydrophobicContact CD2-CB 3.81Å; Y1359-A1370 HydrophobicContact CE2-CB 3.53Å; A1370-G1393 WeakPolarHBondContact O-CA 3.19Å; A1370-T1396 HydrophobicContact CB-CG2 4.2Å; A1370-G1560 WeakPolarHBondContact O-CA 3.46Å
1371V86.3Confident74.2Confident0 Ų082.2 Ų82.20%042%0.421CS..EExtended strand (participates in β ladder)trans-149136176-176.50000107.5L1355 S1356 K1357 I1374 T1396 I1397 M1400 G1560L1355-V1371 WeakPolarHBondContact O-CG1 3.44Å; S1356-V1371 CarbonylContact C-O 3.58Å; S1356-V1371 VanDerWaalsContact CA-O 3.31Å; S1356-V1371 WeakPolarHBondContact CA-O 3.47Å; S1356-V1371 WeakPolarHBondContact CB-O 3.45Å; K1357-V1371 HydrophobicContact CB-CB 4.23Å; K1357-V1371 HydrophobicContact CB-CG2 4.49Å; K1357-V1371 PolarHBondContact N-O 3.15Å; K1357-V1371 PolarHBondContact O-N 3.11Å; V1371-I1374 HydrophobicContact CG1-CB 4.25Å; V1371-I1374 HydrophobicContact CG1-CD1 3.53Å; V1371-I1374 HydrophobicContact CG1-CG1 3.79Å; V1371-T1396 HydrophobicContact CG2-CG2 3.93Å; V1371-I1397 HydrophobicContact CG1-CG1 4.19Å; V1371-I1397 HydrophobicContact CG2-CG1 3.8Å; V1371-M1400 HydrophobicContact CB-CE 3.79Å; V1371-M1400 HydrophobicContact CG1-CE 3.93Å; V1371-M1400 HydrophobicContact CG2-CE 3.64Å; V1371-G1560 CarbonylContact C-O 3.58Å; V1371-G1560 WeakPolarHBondContact CA-O 3.37Å
1372D86.8Confident75.7Confident58 Ų5876.6 Ų76.631%0.3140%0.397SS..EExtended strand (participates in β ladder)trans-14192.1-173.9-16844.7000113.6H1358 V1369 G1560 K1561H1358-D1372 IonicContact CE1-OD1 2.68Å; V1369-D1372 HydrophobicContact CG1-CB 3.71Å; D1372-G1560 PolarHBondContact N-O 3.32Å; D1372-K1561 HydrophobicContact CB-CG 4.34Å; D1372-K1561 WeakPolarHBondContact O-CE 3.47Å; D1372-K1561 WeakPolarHBondContact OD2-CE 3.42Å; D1372-K1561 IonicContact OD2-NZ 3.13Å; D1372-K1561 PolarHBondContact OD2-NZ 3.48Å
1373G84.9Confident77.9Confident37 Ų3770.7 Ų70.738%0.38136%0.356SS..EExtended strand (participates in β ladder)trans78.53616900000114.6L1355L1355-G1373 PolarHBondContact O-N 2.9Å
1374I88.3Confident80.2Confident4 Ų462.2 Ų62.22%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-76.8133-176.7-69.3-172.2000112.2N1354 L1355 V1371 F1376 I1397 L1557 F1562N1354-I1374 PolarHBondContact N-O 2.9Å; L1355-I1374 PolarHBondContact N-O 3.16Å; L1355-I1374 PolarHBondContact O-N 2.74Å; V1371-I1374 HydrophobicContact CG1-CB 4.25Å; V1371-I1374 HydrophobicContact CG1-CD1 3.53Å; V1371-I1374 HydrophobicContact CG1-CG1 3.79Å; I1374-F1376 HydrophobicContact CG2-CD1 3.71Å; I1374-F1376 HydrophobicContact CG2-CE1 4.11Å; I1374-I1397 HydrophobicContact CD1-CD1 3.58Å; I1374-I1397 HydrophobicContact CD1-CG1 4.23Å; I1374-L1557 HydrophobicContact CD1-CD1 3.51Å; I1374-F1562 HydrophobicContact CG2-CD2 3.89Å; I1374-F1562 HydrophobicContact CG2-CE2 3.52Å; I1374-F1562 HydrophobicContact CG2-CZ 4.41Å
1375C88.7Confident82.1Confident59 Ų5949.7 Ų49.740%0.39927%0.272SS..EExtended strand (participates in β ladder)trans-120.4136.3166.8-62.40000110.2V1352 N1354V1352-C1375 VanDerWaalsContact O-CA 3.25Å; V1352-C1375 WeakPolarHBondContact O-CA 3.42Å; N1354-C1375 PolarHBondContact N-SG 2.88Å
1376F90.5Very high84Confident13 Ų1345.6 Ų45.66%0.05725%0.247CC..EExtended strand (participates in β ladder)trans-164.8165.216568.1-82.4000110.6L1350 V1352 I1374 V1378 L1384 I1397 I1401 L1538 F1562 L1565L1350-F1376 HydrophobicContact CD2-CE2 4Å; L1350-F1376 HydrophobicContact CD2-CZ 4.4Å; V1352-F1376 HydrophobicContact CB-CD1 3.85Å; V1352-F1376 HydrophobicContact CB-CE1 3.81Å; V1352-F1376 HydrophobicContact CB-CG 4.4Å; V1352-F1376 HydrophobicContact CB-CZ 4.32Å; V1352-F1376 HydrophobicContact CG1-CD1 4.17Å; V1352-F1376 HydrophobicContact CG1-CE1 3.96Å; V1352-F1376 HydrophobicContact CG2-CD1 4.16Å; V1352-F1376 HydrophobicContact CG2-CE1 3.69Å; V1352-F1376 HydrophobicContact CG2-CE2 4.17Å; V1352-F1376 HydrophobicContact CG2-CZ 3.71Å; V1352-F1376 PolarHBondContact N-O 3.23Å; V1352-F1376 PolarHBondContact O-N 3.33Å; I1374-F1376 HydrophobicContact CG2-CD1 3.71Å; I1374-F1376 HydrophobicContact CG2-CE1 4.11Å; F1376-V1378 HydrophobicContact CD2-CG2 4.07Å; F1376-V1378 HydrophobicContact CE2-CG2 3.97Å; F1376-L1384 HydrophobicContact CD2-CD2 3.58Å; F1376-L1384 HydrophobicContact CE2-CD2 4.03Å; F1376-L1384 HydrophobicContact CG-CD2 4.45Å; F1376-I1397 HydrophobicContact CE1-CG2 4.11Å; F1376-I1397 HydrophobicContact CZ-CG2 4.32Å; F1376-I1401 HydrophobicContact CZ-CD1 4.01Å; F1376-L1538 HydrophobicContact CE2-CD1 3.84Å; F1376-L1538 HydrophobicContact CE2-CD2 3.98Å; F1376-L1538 HydrophobicContact CZ-CD1 4.38Å; F1376-L1538 HydrophobicContact CZ-CD2 3.91Å; F1376-F1562 HydrophobicContact CB-CE2 4.03Å; F1376-F1562 AromaticContact CD1-CE2 3.78Å; F1376-F1562 HydrophobicContact CD1-CE2 3.78Å; F1376-F1562 HydrophobicContact CD1-CZ 4.2Å; F1376-F1562 HydrophobicContact CG-CE2 4.16Å; F1376-L1565 HydrophobicContact CB-CD2 3.8Å
1377E89.1Confident85.4Confident66 Ų6642.8 Ų42.831%0.30822%0.218SC..EExtended strand (participates in β ladder)trans-139152.9171.467.8-163.2161.400111.3V1348 L1350 K1351 R1553V1348-E1377 HydrophobicContact CG1-CB 4.08Å; L1350-E1377 CarbonylContact O-C 3.57Å; L1350-E1377 WeakPolarHBondContact O-CA 3.45Å; L1350-E1377 WeakPolarHBondContact O-CB 3.49Å; K1351-E1377 HydrophobicContact CB-CB 4.43Å; K1351-E1377 WeakPolarHBondContact CD-OE2 3.32Å; K1351-E1377 WeakPolarHBondContact CE-OE2 3.31Å; K1351-E1377 HydrophobicContact CG-CB 4.2Å; K1351-E1377 IonicContact NZ-OE2 2.66Å; K1351-E1377 PolarHBondContact NZ-OE2 2.81Å; E1377-R1553 PolarHBondContact O-NH1 2.99Å; E1377-R1553 VanDerWaalsContact O-NH1 3.14Å
1378V89Confident86.2Confident0 Ų032.8 Ų32.80%018%0.18CC..EExtended strand (participates in β ladder)trans-123.7124.4179.7-168.40000109M1349 L1350 F1376 E1382 L1384 A1536 L1538M1349-V1378 PolarHBondContact N-O 2.89Å; L1350-V1378 HydrophobicContact CB-CB 4.27Å; L1350-V1378 HydrophobicContact CB-CG2 4.41Å; L1350-V1378 HydrophobicContact CD2-CG2 4.07Å; L1350-V1378 PolarHBondContact N-O 3.39Å; L1350-V1378 PolarHBondContact O-N 2.87Å; F1376-V1378 HydrophobicContact CD2-CG2 4.07Å; F1376-V1378 HydrophobicContact CE2-CG2 3.97Å; V1378-E1382 WeakPolarHBondContact CA-OE2 3.32Å; V1378-E1382 HydrophobicContact CG1-CB 4.16Å; V1378-L1384 HydrophobicContact CG1-CB 4.46Å; V1378-L1384 HydrophobicContact CG2-CB 4.26Å; V1378-L1384 HydrophobicContact CG2-CD2 3.79Å; V1378-A1536 HydrophobicContact CG1-CB 4.05Å; V1378-L1538 HydrophobicContact CG2-CD1 4.26Å
1379Q86.5Confident86.4Confident86 Ų8630 Ų3040%0.40217%0.168SC..EExtended strand (participates in β ladder)trans-83.1162.6179.4-65.7174.9-40.200111.7E1347 G1381 E1382 A1536E1347-Q1379 CarbonylContact O-C 3.56Å; E1347-Q1379 WeakPolarHBondContact O-CA 3.46Å; Q1379-G1381 PolarHBondContact O-N 3.17Å; Q1379-E1382 HydrophobicContact CB-CB 4.05Å; Q1379-E1382 PolarHBondContact N-OE2 3.25Å; Q1379-E1382 VanDerWaalsContact O-CB 3.28Å; Q1379-E1382 WeakPolarHBondContact O-CB 3.4Å; Q1379-E1382 PolarHBondContact O-N 3.25Å; Q1379-A1536 WeakPolarHBondContact O-CB 3.39Å
1380R84.9Confident86Confident157 Ų15730.6 Ų30.659%0.59217%0.169SC*.THydrogen-bonded Turntrans-66.1127.5174.8-172.5-179177.9-169-3.2110.3E1347 M1349 E1382 G1534E1347-R1380 WeakPolarHBondContact O-CB 3.15Å; E1347-R1380 PolarHBondContact O-N 2.77Å; M1349-R1380 HydrophobicContact CG-CB 3.84Å; M1349-R1380 HydrophobicContact CG-CG 4.33Å; M1349-R1380 HydrophobicContact SD-CB 4.43Å; R1380-E1382 VanDerWaalsContact C-N 3.26Å; R1380-G1534 WeakPolarHBondContact CG-O 3.39Å; R1380-G1534 PolarHBondContact NE-O 2.88Å
1381G84.8Confident85.5Confident25 Ų2533.6 Ų33.626%0.25820%0.201SC..THydrogen-bonded Turntrans7415.2-17500000114Q1379 V1531 A1535Q1379-G1381 PolarHBondContact O-N 3.17Å; G1381-V1531 VanDerWaalsContact O-CG1 3.22Å; G1381-V1531 WeakPolarHBondContact O-CG1 3.36Å; G1381-A1535 WeakPolarHBondContact CA-O 3.4Å; G1381-A1535 PolarHBondContact N-O 2.86Å
1382E88.6Confident85.2Confident10 Ų1033.9 Ų33.95%0.04720%0.204CC..  trans-98140.1173.9-163.2-157.6158.600111.3V1378 Q1379 R1380 V1537 N1552 R1553V1378-E1382 WeakPolarHBondContact CA-OE2 3.32Å; V1378-E1382 HydrophobicContact CG1-CB 4.16Å; Q1379-E1382 HydrophobicContact CB-CB 4.05Å; Q1379-E1382 PolarHBondContact N-OE2 3.25Å; Q1379-E1382 VanDerWaalsContact O-CB 3.28Å; Q1379-E1382 WeakPolarHBondContact O-CB 3.4Å; Q1379-E1382 PolarHBondContact O-N 3.25Å; R1380-E1382 VanDerWaalsContact C-N 3.26Å; E1382-V1537 PolarHBondContact O-N 2.68Å; E1382-N1552 HydrophobicContact CG-CB 4.27Å; E1382-R1553 VanDerWaalsContact CD-NH1 3.28Å; E1382-R1553 WeakPolarHBondContact OE1-CB 3.42Å; E1382-R1553 VanDerWaalsContact OE1-CD 3.23Å; E1382-R1553 WeakPolarHBondContact OE1-CD 3.44Å; E1382-R1553 IonicContact OE1-CZ 3.82Å; E1382-R1553 IonicContact OE1-NE 3.19Å; E1382-R1553 IonicContact OE1-NH1 3.72Å; E1382-R1553 PolarHBondContact OE1-NH1 3.44Å; E1382-R1553 IonicContact OE2-NH1 2.8Å; E1382-R1553 PolarHBondContact OE2-NH1 3.4Å; E1382-R1553 VanDerWaalsContact OE2-NH1 3.13Å
1383C90.6Very high84.9Confident0 Ų031.4 Ų31.40%019%0.192CC..EExtended strand (participates in β ladder)trans-107.6111167.2-161.50000111.1V1531 V1537 F1539 L1550 C1551 N1552 R1553C1383-V1531 HydrophobicContact CB-CG1 4.45Å; C1383-V1531 HydrophobicContact CB-CG2 3.98Å; C1383-V1537 CarbonylContact C-O 3.6Å; C1383-V1537 WeakPolarHBondContact CA-O 3.46Å; C1383-V1537 HydrophobicContact CB-CB 4.48Å; C1383-F1539 VanDerWaalsContact SG-CE1 3.56Å; C1383-L1550 WeakPolarHBondContact CB-O 3.48Å; C1383-L1550 PolarHBondContact SG-O 2.98Å; C1383-L1550 VanDerWaalsContact SG-O 3.34Å; C1383-C1551 WeakPolarHBondContact O-CA 3.4Å; C1383-N1552 PolarHBondContact N-OD1 3Å; C1383-N1552 PolarHBondContact O-N 3.26Å; C1383-R1553 PolarHBondContact O-N 2.85Å
1384L92.5Very high84.9Confident0 Ų030.4 Ų30.40%018%0.177CC..EExtended strand (participates in β ladder)trans-105.6120.5177.7175.357000111F1376 V1378 L1386 V1537 L1538 F1539 R1553 L1565F1376-L1384 HydrophobicContact CD2-CD2 3.58Å; F1376-L1384 HydrophobicContact CE2-CD2 4.03Å; F1376-L1384 HydrophobicContact CG-CD2 4.45Å; V1378-L1384 HydrophobicContact CG1-CB 4.46Å; V1378-L1384 HydrophobicContact CG2-CB 4.26Å; V1378-L1384 HydrophobicContact CG2-CD2 3.79Å; L1384-L1386 HydrophobicContact CD2-CD2 4.49Å; L1384-L1386 HydrophobicContact CG-CD2 4.29Å; L1384-V1537 PolarHBondContact N-O 3.08Å; L1384-L1538 HydrophobicContact CB-CD1 3.89Å; L1384-L1538 HydrophobicContact CD2-CD1 3.71Å; L1384-L1538 HydrophobicContact CG-CD1 3.67Å; L1384-L1538 WeakPolarHBondContact O-CA 3.3Å; L1384-F1539 PolarHBondContact O-N 3.44Å; L1384-R1553 WeakPolarHBondContact CA-O 3.32Å; L1384-R1553 HydrophobicContact CD1-CB 3.91Å; L1384-R1553 WeakPolarHBondContact CD1-O 3.42Å; L1384-L1565 HydrophobicContact CD1-CD1 3.59Å; L1384-L1565 HydrophobicContact CD2-CD1 4.46Å
1385G89.9Confident84.7Confident0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans-94.3131.6174.700000113.3F1539 C1551 R1553 V1554 G1555G1385-F1539 CarbonylContact C-O 3.6Å; G1385-F1539 WeakPolarHBondContact CA-O 3.41Å; G1385-C1551 WeakPolarHBondContact CA-SG 3.39Å; G1385-C1551 PolarHBondContact N-SG 2.84Å; G1385-C1551 VanDerWaalsContact N-SG 3.42Å; G1385-R1553 PolarHBondContact N-O 2.82Å; G1385-V1554 WeakPolarHBondContact O-CA 3.36Å; G1385-G1555 PolarHBondContact O-N 2.79Å
1386L89.8Confident84.5Confident0 Ų030.5 Ų30.50%018%0.176CC..EExtended strand (participates in β ladder)trans-101113.7169.8-55.4-163000110.5L1384 K1394 I1397 F1398 L1538 F1539 T1540 F1562L1384-L1386 HydrophobicContact CD2-CD2 4.49Å; L1384-L1386 HydrophobicContact CG-CD2 4.29Å; L1386-K1394 WeakPolarHBondContact O-CD 3.34Å; L1386-I1397 HydrophobicContact CD1-CD1 4.2Å; L1386-I1397 HydrophobicContact CD1-CG2 4.39Å; L1386-F1398 HydrophobicContact CD1-CD1 4.41Å; L1386-F1398 HydrophobicContact CD1-CE1 3.86Å; L1386-F1398 HydrophobicContact CG-CE1 4.37Å; L1386-L1538 HydrophobicContact CD1-CD1 4.41Å; L1386-L1538 HydrophobicContact CD2-CD1 4Å; L1386-L1538 HydrophobicContact CG-CD1 3.99Å; L1386-F1539 PolarHBondContact N-O 3.25Å; L1386-T1540 HydrophobicContact CB-CG2 4.4Å; L1386-F1562 HydrophobicContact CD2-CE1 3.91Å; L1386-F1562 HydrophobicContact CD2-CZ 3.75Å
1387L85.7Confident84.4Confident0 Ų029.9 Ų29.90%017%0.173CC..EExtended strand (participates in β ladder)trans-105.9172.8175.5-67.1179.4000111.1M1544 C1547 V1554 G1555 I1556 L1557 L1654L1387-M1544 HydrophobicContact CD1-CE 4.35Å; L1387-M1544 HydrophobicContact CD1-SD 3.46Å; L1387-M1544 WeakPolarHBondContact CD1-SD 3.37Å; L1387-M1544 HydrophobicContact CD2-CE 4.06Å; L1387-M1544 HydrophobicContact CD2-SD 3.49Å; L1387-M1544 WeakPolarHBondContact CD2-SD 3.18Å; L1387-M1544 HydrophobicContact CG-SD 4.07Å; L1387-C1547 HydrophobicContact CD1-CB 4.42Å; L1387-C1547 HydrophobicContact CD2-CB 4.42Å; L1387-C1547 VanDerWaalsContact CD2-SG 3.57Å; L1387-V1554 HydrophobicContact CD1-CG1 3.41Å; L1387-V1554 VanDerWaalsContact CD1-CG1 3.41Å; L1387-V1554 HydrophobicContact CG-CG1 3.91Å; L1387-G1555 PolarHBondContact N-O 2.95Å; L1387-I1556 HydrophobicContact CB-CG1 4.33Å; L1387-I1556 HydrophobicContact CD1-CG1 4.49Å; L1387-L1557 WeakPolarHBondContact O-CA 3.47Å; L1387-L1557 WeakPolarHBondContact O-CB 3.03Å; L1387-L1557 PolarHBondContact O-N 2.83Å; L1387-L1654 HydrophobicContact CD1-CD2 3.36Å
1388G79.5Confident84.5Confident1 Ų126.7 Ų26.71%0.0116%0.158CC..  trans141.1153.3-175.800000111.8K1394 L1557G1388-K1394 WeakPolarHBondContact O-CE 3.35Å; G1388-K1394 PolarHBondContact O-NZ 3.05Å; G1388-L1557 WeakPolarHBondContact CA-O 3.32Å
1389P75.9Confident84.3Confident29 Ų2928.9 Ų28.919%0.18817%0.168CC..SBendtrans-65.4163.7178.727.2-34.2000112.2G1391 A1392 L1557 M1558P1389-G1391 PolarHBondContact O-N 2.82Å; P1389-G1391 VanDerWaalsContact O-N 3.15Å; P1389-A1392 HydrophobicContact CG-CB 4.16Å; P1389-A1392 WeakPolarHBondContact O-CB 3.3Å; P1389-A1392 PolarHBondContact O-N 3.27Å; P1389-L1557 WeakPolarHBondContact CD-O 3.46Å; P1389-M1558 VanDerWaalsContact CD-SD 3.54Å; P1389-M1558 HydrophobicContact CG-SD 3.92Å
1390N73.1Confident84.3Confident82 Ų8225.1 Ų25.144%0.43915%0.15SC..THydrogen-bonded Turntrans-59118.8177.7-78-38000110.8D916 N1542D916-N1390 PolarHBondContact OD1-ND2 2.87Å; N1390-N1542 PolarHBondContact OD1-ND2 2.96Å
1391G71.4Confident84.4Confident79 Ų7918.2 Ų18.281%0.81413%0.125SC*.THydrogen-bonded Turntrans100.8-7.4-174.400000115.8P1389 G1393P1389-G1391 PolarHBondContact O-N 2.82Å; P1389-G1391 VanDerWaalsContact O-N 3.15Å; G1391-G1393 PolarHBondContact O-N 2.61Å
1392A79.3Confident84.3Confident6 Ų619.1 Ų19.15%0.0513%0.125CC..SBendtrans-63.9-11.8-175.100000116.3P1389 L1557 G1560P1389-A1392 HydrophobicContact CG-CB 4.16Å; P1389-A1392 WeakPolarHBondContact O-CB 3.3Å; P1389-A1392 PolarHBondContact O-N 3.27Å; A1392-L1557 HydrophobicContact CB-CB 4.39Å; A1392-L1557 HydrophobicContact CB-CD2 4.23Å; A1392-L1557 HydrophobicContact CB-CG 4.39Å; A1392-L1557 WeakPolarHBondContact CB-O 2.88Å; A1392-L1557 WeakPolarHBondContact O-CD2 3.34Å; A1392-G1560 WeakPolarHBondContact O-CA 3.17Å; A1392-G1560 PolarHBondContact O-N 2.82Å
1393G80.2Confident83.7Confident6 Ų621.3 Ų21.36%0.06215%0.151CC..SBendtrans119.9-1017700000115.8A1370 G1391 T1395 T1396 I1397A1370-G1393 WeakPolarHBondContact O-CA 3.19Å; G1391-G1393 PolarHBondContact O-N 2.61Å; G1393-T1395 PolarHBondContact O-N 2.9Å; G1393-T1396 CarbonylContact O-C 3.42Å; G1393-T1396 WeakPolarHBondContact O-CA 3.17Å; G1393-T1396 VanDerWaalsContact O-CB 3.31Å; G1393-T1396 WeakPolarHBondContact O-CB 3.49Å; G1393-T1396 PolarHBondContact O-N 3.43Å; G1393-I1397 PolarHBondContact O-N 3.35Å
1394K84.5Confident83.1Confident15 Ų1526.3 Ų26.37%0.06517%0.174CC..Hα-helixtrans-42.3-66.1-171.7-55.3-169.5-65-165.20114.1L1386 G1388 T1396 I1397 F1398 T1540 S1541 N1542 L1557L1386-K1394 WeakPolarHBondContact O-CD 3.34Å; G1388-K1394 WeakPolarHBondContact O-CE 3.35Å; G1388-K1394 PolarHBondContact O-NZ 3.05Å; K1394-T1396 VanDerWaalsContact C-N 3.25Å; K1394-T1396 PolarHBondContact O-N 2.73Å; K1394-I1397 WeakPolarHBondContact O-CB 3.39Å; K1394-I1397 PolarHBondContact O-N 3.33Å; K1394-F1398 PolarHBondContact O-N 2.81Å; K1394-T1540 HydrophobicContact CB-CG2 4.04Å; K1394-S1541 PolarHBondContact NZ-O 2.83Å; K1394-N1542 PolarHBondContact NZ-OD1 2.92Å; K1394-L1557 HydrophobicContact CG-CD2 3.87Å
1395T83.6Confident82.6Confident39 Ų3928 Ų2824%0.23918%0.183CC..Hα-helixtrans-61.8-26.6177.2-54.60000113.8G1393 F1398 K1399 D1509G1393-T1395 PolarHBondContact O-N 2.9Å; T1395-F1398 PolarHBondContact O-N 3.02Å; T1395-K1399 HydrophobicContact CG2-CD 4.17Å; T1395-K1399 HydrophobicContact CG2-CG 4.46Å; T1395-K1399 WeakPolarHBondContact O-CG 3.44Å; T1395-K1399 PolarHBondContact O-N 3.21Å; T1395-D1509 WeakPolarHBondContact CB-OD2 3.34Å; T1395-D1509 WeakPolarHBondContact CG2-OD2 3.44Å; T1395-D1509 PolarHBondContact OG1-OD1 3.29Å; T1395-D1509 PolarHBondContact OG1-OD2 3.09Å
1396T86.1Confident82.1Confident26 Ų2636.7 Ų36.716%0.1622%0.221CC..Hα-helixtrans-72.4-31.7174.9-63.60000111.9K1357 Y1359 A1370 V1371 G1393 K1394 M1400K1357-T1396 HydrophobicContact CB-CG2 4Å; K1357-T1396 HydrophobicContact CG-CG2 3.91Å; Y1359-T1396 HydrophobicContact CE2-CG2 4.19Å; Y1359-T1396 WeakPolarHBondContact OH-CG2 3.49Å; A1370-T1396 HydrophobicContact CB-CG2 4.2Å; V1371-T1396 HydrophobicContact CG2-CG2 3.93Å; G1393-T1396 CarbonylContact O-C 3.42Å; G1393-T1396 WeakPolarHBondContact O-CA 3.17Å; G1393-T1396 VanDerWaalsContact O-CB 3.31Å; G1393-T1396 WeakPolarHBondContact O-CB 3.49Å; G1393-T1396 PolarHBondContact O-N 3.43Å; K1394-T1396 VanDerWaalsContact C-N 3.25Å; K1394-T1396 PolarHBondContact O-N 2.73Å; T1396-M1400 HydrophobicContact CG2-CE 4.28Å; T1396-M1400 WeakPolarHBondContact O-CG 3.22Å; T1396-M1400 PolarHBondContact O-N 3.41Å; T1396-M1400 VanDerWaalsContact O-N 3.15Å
1397I88.6Confident81.8Confident0 Ų040.3 Ų40.30%024%0.237CC..Hα-helixtrans-63.8-49.4170.5-61167.1000109.4L1355 V1371 I1374 F1376 L1386 G1393 K1394 K1399 M1400 I1401 L1557L1355-I1397 HydrophobicContact CD2-CG2 4.38Å; V1371-I1397 HydrophobicContact CG1-CG1 4.19Å; V1371-I1397 HydrophobicContact CG2-CG1 3.8Å; I1374-I1397 HydrophobicContact CD1-CD1 3.58Å; I1374-I1397 HydrophobicContact CD1-CG1 4.23Å; F1376-I1397 HydrophobicContact CE1-CG2 4.11Å; F1376-I1397 HydrophobicContact CZ-CG2 4.32Å; L1386-I1397 HydrophobicContact CD1-CD1 4.2Å; L1386-I1397 HydrophobicContact CD1-CG2 4.39Å; G1393-I1397 PolarHBondContact O-N 3.35Å; K1394-I1397 WeakPolarHBondContact O-CB 3.39Å; K1394-I1397 PolarHBondContact O-N 3.33Å; I1397-K1399 PolarHBondContact O-N 2.78Å; I1397-M1400 WeakPolarHBondContact O-CB 3.47Å; I1397-M1400 PolarHBondContact O-N 3.46Å; I1397-I1401 HydrophobicContact CG2-CD1 3.82Å; I1397-I1401 WeakPolarHBondContact O-CG1 3.43Å; I1397-I1401 PolarHBondContact O-N 3.12Å; I1397-L1557 HydrophobicContact CD1-CD1 3.89Å; I1397-L1557 HydrophobicContact CD1-CD2 3.69Å; I1397-L1557 HydrophobicContact CD1-CG 4.49Å
1398F89.4Confident81.7Confident0 Ų042.9 Ų42.90%026%0.255CS..Hα-helixtrans-55.8-48.4178.1-86.757.4000111.8L1386 K1394 T1395 M1400 I1401 T1402 Y1430 L1507 D1509 L1538 T1540L1386-F1398 HydrophobicContact CD1-CD1 4.41Å; L1386-F1398 HydrophobicContact CD1-CE1 3.86Å; L1386-F1398 HydrophobicContact CG-CE1 4.37Å; K1394-F1398 PolarHBondContact O-N 2.81Å; T1395-F1398 PolarHBondContact O-N 3.02Å; F1398-M1400 PolarHBondContact O-N 3.34Å; F1398-I1401 PolarHBondContact O-N 3.13Å; F1398-T1402 PolarHBondContact O-N 2.94Å; F1398-T1402 PolarHBondContact O-OG1 2.81Å; F1398-Y1430 HydrophobicContact CD2-CD2 4.43Å; F1398-Y1430 AromaticContact CD2-CE2 3.98Å; F1398-Y1430 HydrophobicContact CD2-CE2 3.98Å; F1398-L1507 HydrophobicContact CD2-CB 3.91Å; F1398-L1507 HydrophobicContact CE2-CB 3.74Å; F1398-L1507 HydrophobicContact CE2-CD2 4.47Å; F1398-D1509 HydrophobicContact CD2-CB 4.23Å; F1398-L1538 HydrophobicContact CD1-CD2 4.46Å; F1398-L1538 HydrophobicContact CE1-CD2 3.76Å; F1398-L1538 HydrophobicContact CE1-CG 3.89Å; F1398-L1538 HydrophobicContact CZ-CB 4.32Å; F1398-L1538 HydrophobicContact CZ-CD2 3.94Å; F1398-L1538 HydrophobicContact CZ-CG 3.74Å; F1398-L1538 WeakPolarHBondContact CZ-O 3.07Å; F1398-T1540 HydrophobicContact CD1-CG2 3.75Å; F1398-T1540 HydrophobicContact CE1-CG2 3.32Å; F1398-T1540 HydrophobicContact CE2-CG2 4.3Å; F1398-T1540 HydrophobicContact CG-CG2 4.43Å; F1398-T1540 HydrophobicContact CZ-CG2 3.63Å
1399K85.2Confident81.9Confident45 Ų4549.6 Ų49.620%0.19628%0.284CS..Hα-helixtrans-67.1-18.7178-69.2-179178.6-110.20114.6T1395 I1397 T1402 G1403 E1404 I1405T1395-K1399 HydrophobicContact CG2-CD 4.17Å; T1395-K1399 HydrophobicContact CG2-CG 4.46Å; T1395-K1399 WeakPolarHBondContact O-CG 3.44Å; T1395-K1399 PolarHBondContact O-N 3.21Å; I1397-K1399 PolarHBondContact O-N 2.78Å; K1399-T1402 WeakPolarHBondContact CA-OG1 3.45Å; K1399-G1403 PolarHBondContact O-N 2.93Å; K1399-E1404 HydrophobicContact CB-CB 4.11Å; K1399-E1404 WeakPolarHBondContact CD-OE2 3.38Å; K1399-E1404 WeakPolarHBondContact CE-OE2 3.43Å; K1399-E1404 HydrophobicContact CG-CB 4.35Å; K1399-E1404 WeakPolarHBondContact CG-OE2 3.34Å; K1399-E1404 IonicContact NZ-OE2 3.39Å; K1399-E1404 PolarHBondContact NZ-OE2 2.88Å; K1399-E1404 PolarHBondContact O-N 2.83Å; K1399-E1404 VanDerWaalsContact O-N 3.15Å; K1399-I1405 HydrophobicContact CB-CB 4.14Å; K1399-I1405 HydrophobicContact CB-CD1 3.75Å; K1399-I1405 HydrophobicContact CB-CG1 3.87Å; K1399-I1405 HydrophobicContact CD-CD1 3.8Å; K1399-I1405 HydrophobicContact CD-CG1 4.46Å; K1399-I1405 HydrophobicContact CG-CD1 4.41Å; K1399-I1405 PolarHBondContact O-N 2.72Å
1400M87.6Confident82.2Confident8 Ų849.8 Ų49.84%0.03929%0.291CS..Hα-helixtrans-83.2-24.9168.9-76.1-169.8-69.300113.4L1355 K1357 V1371 T1396 I1397 F1398 I1405 K1407L1355-M1400 HydrophobicContact CD1-CB 4.3Å; L1355-M1400 HydrophobicContact CD1-CE 4.27Å; L1355-M1400 HydrophobicContact CD1-SD 3.87Å; L1355-M1400 HydrophobicContact CD2-CB 4.1Å; L1355-M1400 HydrophobicContact CD2-CE 3.73Å; L1355-M1400 HydrophobicContact CD2-SD 4.33Å; L1355-M1400 HydrophobicContact CG-CE 3.67Å; L1355-M1400 HydrophobicContact CG-SD 3.94Å; K1357-M1400 HydrophobicContact CB-CE 3.99Å; K1357-M1400 HydrophobicContact CB-SD 3.76Å; K1357-M1400 HydrophobicContact CD-SD 4.49Å; K1357-M1400 HydrophobicContact CG-SD 4.47Å; V1371-M1400 HydrophobicContact CB-CE 3.79Å; V1371-M1400 HydrophobicContact CG1-CE 3.93Å; V1371-M1400 HydrophobicContact CG2-CE 3.64Å; T1396-M1400 HydrophobicContact CG2-CE 4.28Å; T1396-M1400 WeakPolarHBondContact O-CG 3.22Å; T1396-M1400 PolarHBondContact O-N 3.41Å; T1396-M1400 VanDerWaalsContact O-N 3.15Å; I1397-M1400 WeakPolarHBondContact O-CB 3.47Å; I1397-M1400 PolarHBondContact O-N 3.46Å; F1398-M1400 PolarHBondContact O-N 3.34Å; M1400-I1405 HydrophobicContact CG-CG2 4.4Å; M1400-I1405 WeakPolarHBondContact CG-O 3.09Å; M1400-K1407 HydrophobicContact CG-CB 4.32Å; M1400-K1407 HydrophobicContact SD-CB 3.76Å
1401I86.1Confident82.7Confident12 Ų1248 Ų486%0.06228%0.284CS..Hα-helixtrans-81.6-40.9175.5-62.7164.5000110.4L1350 V1352 F1376 I1397 F1398 G1403 V1412 L1507 L1538L1350-I1401 HydrophobicContact CD1-CG2 4.2Å; L1350-I1401 HydrophobicContact CD2-CD1 4.28Å; V1352-I1401 HydrophobicContact CG2-CD1 4.49Å; F1376-I1401 HydrophobicContact CZ-CD1 4.01Å; I1397-I1401 HydrophobicContact CG2-CD1 3.82Å; I1397-I1401 WeakPolarHBondContact O-CG1 3.43Å; I1397-I1401 PolarHBondContact O-N 3.12Å; F1398-I1401 PolarHBondContact O-N 3.13Å; I1401-G1403 PolarHBondContact O-N 3.44Å; I1401-V1412 HydrophobicContact CG1-CG1 4.47Å; I1401-V1412 HydrophobicContact CG2-CG1 4.48Å; I1401-L1507 HydrophobicContact CB-CD1 4.41Å; I1401-L1507 HydrophobicContact CG2-CD1 3.88Å; I1401-L1538 HydrophobicContact CD1-CD2 3.87Å
1402T83.9Confident83.3Confident43 Ų4345 Ų4526%0.26425%0.25SS..SBendtrans-71.8-15.8174.662.20000113.5F1398 K1399 E1404 Y1430 L1507F1398-T1402 PolarHBondContact O-N 2.94Å; F1398-T1402 PolarHBondContact O-OG1 2.81Å; K1399-T1402 WeakPolarHBondContact CA-OG1 3.45Å; T1402-E1404 PolarHBondContact OG1-OE1 3.11Å; T1402-Y1430 HydrophobicContact CG2-CD1 3.77Å; T1402-Y1430 HydrophobicContact CG2-CD2 4.17Å; T1402-Y1430 HydrophobicContact CG2-CE1 4.1Å; T1402-Y1430 HydrophobicContact CG2-CG 3.8Å; T1402-L1507 HydrophobicContact CG2-CD1 3.73Å
1403G75.9Confident83.4Confident57 Ų5748.4 Ų48.459%0.58827%0.268SS*.SBendtrans86-2.7-179.400000115.3K1399 I1401 I1405K1399-G1403 PolarHBondContact O-N 2.93Å; I1401-G1403 PolarHBondContact O-N 3.44Å; G1403-I1405 PolarHBondContact O-N 3.45Å
1404E77.1Confident83.3Confident104 Ų10450.2 Ų50.249%0.48628%0.276SS..SBendtrans-52.3-38173.1-79.5175.9-124.300112.7K1399 T1402 Y1430K1399-E1404 HydrophobicContact CB-CB 4.11Å; K1399-E1404 WeakPolarHBondContact CD-OE2 3.38Å; K1399-E1404 WeakPolarHBondContact CE-OE2 3.43Å; K1399-E1404 HydrophobicContact CG-CB 4.35Å; K1399-E1404 WeakPolarHBondContact CG-OE2 3.34Å; K1399-E1404 IonicContact NZ-OE2 3.39Å; K1399-E1404 PolarHBondContact NZ-OE2 2.88Å; K1399-E1404 PolarHBondContact O-N 2.83Å; K1399-E1404 VanDerWaalsContact O-N 3.15Å; T1402-E1404 PolarHBondContact OG1-OE1 3.11Å; E1404-Y1430 VanDerWaalsContact OE1-CE1 3.31Å; E1404-Y1430 WeakPolarHBondContact OE1-CE1 3.44Å
1405I81.4Confident82.4Confident37 Ų3754 Ų5419%0.1929%0.29CS..SBendtrans-123111.4-175.8-64.8-176.9000108.9K1357 Y1359 K1399 M1400 G1403 K1407K1357-I1405 HydrophobicContact CD-CG2 3.9Å; K1357-I1405 HydrophobicContact CG-CG2 4.49Å; Y1359-I1405 WeakPolarHBondContact OH-CD1 3.31Å; K1399-I1405 HydrophobicContact CB-CB 4.14Å; K1399-I1405 HydrophobicContact CB-CD1 3.75Å; K1399-I1405 HydrophobicContact CB-CG1 3.87Å; K1399-I1405 HydrophobicContact CD-CD1 3.8Å; K1399-I1405 HydrophobicContact CD-CG1 4.46Å; K1399-I1405 HydrophobicContact CG-CD1 4.41Å; K1399-I1405 PolarHBondContact O-N 2.72Å; M1400-I1405 HydrophobicContact CG-CG2 4.4Å; M1400-I1405 WeakPolarHBondContact CG-O 3.09Å; G1403-I1405 PolarHBondContact O-N 3.45Å; I1405-K1407 PolarHBondContact O-N 3.08Å; I1405-K1407 VanDerWaalsContact O-N 3.17Å
1406K79.4Confident81.3Confident182 Ų18257.9 Ų57.979%0.79130%0.303SS*.  trans-56.9121.6174.2-173.4174.1-179.6177.50110.7K1357K1357-K1406 PolarHBondContact NZ-O 3.06Å
1407K84.1Confident79.6Confident75 Ų7563.1 Ų63.133%0.32633%0.326SS..  trans-59.3145.5172.860.9-158.7176.2-1600112.2L1355 M1400 I1405 G1410 V1412L1355-K1407 HydrophobicContact CD1-CB 3.6Å; L1355-K1407 HydrophobicContact CD1-CD 3.68Å; L1355-K1407 HydrophobicContact CD1-CG 4.23Å; M1400-K1407 HydrophobicContact CG-CB 4.32Å; M1400-K1407 HydrophobicContact SD-CB 3.76Å; I1405-K1407 PolarHBondContact O-N 3.08Å; I1405-K1407 VanDerWaalsContact O-N 3.17Å; K1407-G1410 WeakPolarHBondContact CD-O 3.26Å; K1407-G1410 VanDerWaalsContact CE-O 3.22Å; K1407-G1410 WeakPolarHBondContact CE-O 3.44Å; K1407-V1412 HydrophobicContact CD-CG2 4.47Å
1408S84.3Confident77.2Confident54 Ų5470 Ų7038%0.37837%0.368SS..SBendtrans-84.1-39178.5-66.20000112.1S1356 H1358S1356-S1408 WeakPolarHBondContact O-CB 3.34Å; S1356-S1408 PolarHBondContact O-N 3.4Å; H1358-S1408 PolarHBondContact N-OG 2.79Å; H1358-S1408 VanDerWaalsContact N-OG 3.08Å
1409K83.3Confident74.8Confident143 Ų14373.1 Ų73.162%0.62240%0.4SS*.EExtended strand (participates in β ladder)trans-144.1170.1170.4-56.7-177.3-176.51780109.6N1354 S1356N1354-K1409 CarbonylContact O-C 3.57Å; S1356-K1409 PolarHBondContact N-O 3Å; S1356-K1409 VanDerWaalsContact N-O 3.09Å; S1356-K1409 WeakPolarHBondContact OG-CB 3.3Å; S1356-K1409 PolarHBondContact OG-N 2.83Å
1410G82.5Confident72.3Confident33 Ų3380.3 Ų80.334%0.3444%0.435SS..EExtended strand (participates in β ladder)trans86.8168.5175.200000114.8L1353 N1354 K1407L1353-G1410 CarbonylContact O-C 3.44Å; L1353-G1410 WeakPolarHBondContact O-CA 3.44Å; N1354-G1410 VanDerWaalsContact O-CA 3.26Å; N1354-G1410 WeakPolarHBondContact O-CA 3.02Å; N1354-G1410 PolarHBondContact O-N 2.8Å; K1407-G1410 WeakPolarHBondContact CD-O 3.26Å; K1407-G1410 VanDerWaalsContact CE-O 3.22Å; K1407-G1410 WeakPolarHBondContact CE-O 3.44Å
1411S82.7Confident69.7Low43 Ų4385.2 Ų85.230%0.30147%0.469SS..EExtended strand (participates in β ladder)trans-114.7160.3175.157.90000111.3L1353L1353-S1411 PolarHBondContact N-O 2.92Å; L1353-S1411 PolarHBondContact O-N 3.15Å
1412V83.9Confident67.1Low17 Ų1790.3 Ų90.310%0.10351%0.506CS..EExtended strand (participates in β ladder)trans-134.8122.9170.3176.10000102.7L1350 V1352 L1355 I1401 K1407L1350-V1412 HydrophobicContact CD1-CG1 3.76Å; V1352-V1412 HydrophobicContact CG1-CG2 4.42Å; V1352-V1412 HydrophobicContact CG2-CG1 4.41Å; V1352-V1412 HydrophobicContact CG2-CG2 4.44Å; L1355-V1412 HydrophobicContact CD1-CG2 3.95Å; L1355-V1412 HydrophobicContact CD2-CG2 4.26Å; I1401-V1412 HydrophobicContact CG1-CG1 4.47Å; I1401-V1412 HydrophobicContact CG2-CG1 4.48Å; K1407-V1412 HydrophobicContact CD-CG2 4.47Å
1413L81.7Confident64.8Low78 Ų7891.7 Ų91.741%0.40853%0.529SS..EExtended strand (participates in β ladder)trans-116.6136.5-176.7-61.6169.7000108.3K1351 L1353K1351-L1413 HydrophobicContact CB-CB 4.33Å; K1351-L1413 PolarHBondContact N-O 3.02Å; K1351-L1413 PolarHBondContact O-N 3.06Å; L1353-L1413 HydrophobicContact CD1-CD1 4.07Å
1414L77.1Confident63.1Low44 Ų4495.6 Ų95.623%0.2354%0.536CS..EExtended strand (participates in β ladder)trans-123.1147.9176.4-61.4169.1000107.8L1350 F1416 I1428 L1505L1350-L1414 HydrophobicContact CD1-CD2 3.72Å; L1414-F1416 PolarHBondContact O-N 3.2Å; L1414-I1428 HydrophobicContact CD1-CD1 3.93Å; L1414-I1428 HydrophobicContact CD2-CD1 4.43Å; L1414-L1505 HydrophobicContact CD2-CD2 3.66Å
1415R67Low61.8Low95 Ų9596 Ų9636%0.35854%0.538SS..THydrogen-bonded Turntrans-52.5-15.8-175.4-175.5173.4-177.3150.911.7116E1346E1346-R1415 PolarHBondContact O-NH1 2.72Å; E1346-R1415 PolarHBondContact O-NH2 3.13Å
1416F59.3Low60.6Low120 Ų12097.6 Ų97.653%0.52655%0.552SS.*THydrogen-bonded Turntrans-114.410.1-163.5-54.5-73.9000115.8M1349 L1414 T1418 P1427M1349-F1416 HydrophobicContact CE-CE2 4.05Å; M1349-F1416 HydrophobicContact CE-CZ 4.31Å; L1414-F1416 PolarHBondContact O-N 3.2Å; F1416-T1418 VanDerWaalsContact C-N 3.33Å; F1416-T1418 PolarHBondContact O-N 3.05Å; F1416-P1427 HydrophobicContact CD2-CB 4.19Å; F1416-P1427 HydrophobicContact CD2-CG 3.96Å; F1416-P1427 HydrophobicContact CE2-CB 4.24Å; F1416-P1427 HydrophobicContact CE2-CG 4.45Å
1417E52.1Low60Low136 Ų13691 Ų9164%0.63653%0.528SS*.  trans-79.7-1.3-174.8-67.3-163.6125.600115.8
1418T38.1Very low60Low143 Ų14388.2 Ų88.288%0.87752%0.516SS*.SBendtrans-109.152.9-172.550.10000114.6F1416F1416-T1418 VanDerWaalsContact C-N 3.33Å; F1416-T1418 PolarHBondContact O-N 3.05Å
1419G37.8Very low60.1Low66 Ų6685.6 Ų85.668%0.6850%0.498SS*.SBendtrans-162.7140.317800000114.9
1420Q32.9Very low60.4Low197 Ų19780.8 Ų80.892%0.92148%0.476SS*.  trans-47.3136.5-173.3-66.3169.4-17.800116.3
1421S32.2Very low60.7Low110 Ų11079.3 Ų79.377%0.76946%0.46SS*.  trans-7.9123.8155.2-530000118.4
1422S31.7Very low60.9Low120 Ų12077.9 Ų77.984%0.83945%0.45SS*.  171.364.2110-72.40000116.6
1423G36.4Very low60.8Low72 Ų7281.8 Ų81.874%0.74247%0.468SS*.  trans78.5142.8155.900000117.9
1424L39.4Very low60.7Low138 Ų13884.3 Ų84.372%0.72348%0.475SS*.  trans61.4127.7-174.6-85.567.5000113.6
1425Q51.6Low61Low114 Ų11484.7 Ų84.753%0.53348%0.478SS..  cis-130.8177.8-7.5-52.1103.233.100110.2R1454Q1425-R1454 WeakPolarHBondContact CG-O 3.46Å; Q1425-R1454 PolarHBondContact NE2-O 2.84Å; Q1425-R1454 PolarHBondContact OE1-O 2.69Å
1426S55.7Low61.5Low69 Ų6982 Ų8248%0.48348%0.476SS..  trans-75.3132164.2176.60000110.1I1428 R1454S1426-I1428 PolarHBondContact O-N 2.75Å; S1426-I1428 PolarHBondContact OG-N 2.71Å; S1426-R1454 PolarHBondContact O-NH1 3.06Å
1427P67Low62.8Low44 Ų4477.4 Ų77.429%0.28646%0.457SS..  trans-751.7176.932.4-36.2000113.5F1416 P1503 S1504F1416-P1427 HydrophobicContact CD2-CB 4.19Å; F1416-P1427 HydrophobicContact CD2-CG 3.96Å; F1416-P1427 HydrophobicContact CE2-CB 4.24Å; F1416-P1427 HydrophobicContact CE2-CG 4.45Å; P1427-P1503 VanDerWaalsContact O-CB 3.27Å; P1427-P1503 WeakPolarHBondContact O-CB 3.42Å; P1427-S1504 PolarHBondContact O-N 3.44Å
1428I82.5Confident64.4Low16 Ų1674.5 Ų74.58%0.08245%0.446CS..EExtended strand (participates in β ladder)trans-93.9127.1-175.4-59.9-179.6000111.4L1414 S1426 R1454 L1505 L1507L1414-I1428 HydrophobicContact CD1-CD1 3.93Å; L1414-I1428 HydrophobicContact CD2-CD1 4.43Å; S1426-I1428 PolarHBondContact O-N 2.75Å; S1426-I1428 PolarHBondContact OG-N 2.71Å; I1428-R1454 VanDerWaalsContact O-CZ 3.3Å; I1428-R1454 PolarHBondContact O-NH1 3.32Å; I1428-R1454 PolarHBondContact O-NH2 3.1Å; I1428-L1505 CarbonylContact C-O 3.56Å; I1428-L1505 VanDerWaalsContact CA-O 3.32Å; I1428-L1505 WeakPolarHBondContact CA-O 3.43Å; I1428-L1505 HydrophobicContact CD1-CD2 4.39Å; I1428-L1505 HydrophobicContact CG1-CD2 4.23Å; I1428-L1507 HydrophobicContact CG2-CD1 3.63Å; I1428-L1507 HydrophobicContact CG2-CG 3.84Å
1429G87.3Confident66.6Low0 Ų070.7 Ų70.70%042%0.422CS..EExtended strand (participates in β ladder)trans-82.7135.6158.100000110.6S1498 L1505 L1507G1429-S1498 VanDerWaalsContact CA-O 3.22Å; G1429-S1498 WeakPolarHBondContact CA-O 3.44Å; G1429-L1505 PolarHBondContact N-O 3.35Å; G1429-L1507 WeakPolarHBondContact O-CB 3.37Å; G1429-L1507 PolarHBondContact O-N 3.26Å
1430Y89.5Confident68.9Low42 Ų4274.5 Ų74.517%0.16542%0.422CS..EExtended strand (participates in β ladder)trans-138.3130.1174.3178.2-136.1000111.4F1398 T1402 E1404 P1432 S1498 L1507 D1509F1398-Y1430 HydrophobicContact CD2-CD2 4.43Å; F1398-Y1430 AromaticContact CD2-CE2 3.98Å; F1398-Y1430 HydrophobicContact CD2-CE2 3.98Å; T1402-Y1430 HydrophobicContact CG2-CD1 3.77Å; T1402-Y1430 HydrophobicContact CG2-CD2 4.17Å; T1402-Y1430 HydrophobicContact CG2-CE1 4.1Å; T1402-Y1430 HydrophobicContact CG2-CG 3.8Å; E1404-Y1430 VanDerWaalsContact OE1-CE1 3.31Å; E1404-Y1430 WeakPolarHBondContact OE1-CE1 3.44Å; Y1430-P1432 HydrophobicContact CE1-CB 3.89Å; Y1430-P1432 HydrophobicContact CE1-CG 4.4Å; Y1430-P1432 HydrophobicContact CE2-CB 4.46Å; Y1430-S1498 VanDerWaalsContact C-CB 3.45Å; Y1430-S1498 VanDerWaalsContact O-CB 3.3Å; Y1430-S1498 WeakPolarHBondContact O-CB 3.37Å; Y1430-L1507 CarbonylContact C-O 3.53Å; Y1430-L1507 WeakPolarHBondContact CA-O 3.47Å; Y1430-L1507 HydrophobicContact CD2-CB 3.79Å; Y1430-L1507 WeakPolarHBondContact CD2-O 3.44Å; Y1430-D1509 HydrophobicContact CE2-CB 4.22Å
1431C89.7Confident71.5Confident1 Ų166.9 Ų66.91%0.00739%0.387CS..EExtended strand (participates in β ladder)trans-116.7109168.9-172.40000108.8S1494 L1507 F1508 D1509C1431-S1494 PolarHBondContact SG-OG 2.98Å; C1431-L1507 PolarHBondContact N-O 2.85Å; C1431-F1508 HydrophobicContact CB-CD1 3.61Å; C1431-F1508 HydrophobicContact CB-CE1 4.1Å; C1431-D1509 PolarHBondContact O-N 2.91Å
1432P86.8Confident74.3Confident14 Ų1462.4 Ų62.49%0.09136%0.355CS..  trans-74.2163.1178.625.7-29.5000113Y1430 F1434 A1436 R1491Y1430-P1432 HydrophobicContact CE1-CB 3.89Å; Y1430-P1432 HydrophobicContact CE1-CG 4.4Å; Y1430-P1432 HydrophobicContact CE2-CB 4.46Å; P1432-F1434 HydrophobicContact CB-CD1 4.21Å; P1432-F1434 HydrophobicContact CB-CE1 4.03Å; P1432-F1434 HydrophobicContact CB-CZ 4.49Å; P1432-F1434 WeakPolarHBondContact CG-O 3.36Å; P1432-F1434 PolarHBondContact O-N 3.2Å; P1432-A1436 HydrophobicContact CG-CB 3.85Å; P1432-R1491 VanDerWaalsContact O-CZ 3.31Å; P1432-R1491 PolarHBondContact O-NH1 3.44Å; P1432-R1491 PolarHBondContact O-NH2 2.98Å
1433Q80.6Confident77.1Confident99 Ų9956.7 Ų56.746%0.46332%0.315SS..SBendtrans-58.4-32.9178.3-166.6-172.82800113.4D1509 E1510Q1433-D1509 WeakPolarHBondContact CA-O 3.26Å; Q1433-E1510 HydrophobicContact CG-CB 4.44Å; Q1433-E1510 PolarHBondContact NE2-OE2 3.27Å
1434F80.4Confident79.7Confident130 Ų13058.1 Ų58.157%0.5730%0.301SS*.SBendtrans-97.4149.6173.468.2-86.1000110.7P1432 A1436P1432-F1434 HydrophobicContact CB-CD1 4.21Å; P1432-F1434 HydrophobicContact CB-CE1 4.03Å; P1432-F1434 HydrophobicContact CB-CZ 4.49Å; P1432-F1434 WeakPolarHBondContact CG-O 3.36Å; P1432-F1434 PolarHBondContact O-N 3.2Å; F1434-A1436 HydrophobicContact CD2-CB 4.2Å; F1434-A1436 HydrophobicContact CE2-CB 3.67Å; F1434-A1436 HydrophobicContact CZ-CB 4.32Å; F1434-A1436 PolarHBondContact O-N 3.42Å
1435D82.2Confident82.1Confident52 Ų5256.2 Ų56.228%0.27829%0.288SS..  trans-76.494.9-180-65.1-31.5000111.1L1437 K1490 R1491D1435-L1437 HydrophobicContact CB-CD1 4.18Å; D1435-L1437 HydrophobicContact CB-CG 4.4Å; D1435-L1437 PolarHBondContact O-N 3.34Å; D1435-K1490 HydrophobicContact CB-CB 4.18Å; D1435-K1490 WeakPolarHBondContact OD2-CB 3.23Å; D1435-R1491 WeakPolarHBondContact OD1-CA 3.35Å; D1435-R1491 WeakPolarHBondContact OD1-CD 3.45Å; D1435-R1491 IonicContact OD1-CZ 2.98Å; D1435-R1491 IonicContact OD1-NH1 2.62Å; D1435-R1491 PolarHBondContact OD1-NH1 3.42Å
1436A78.6Confident84.1Confident40 Ų4050.8 Ų50.833%0.33126%0.263SS..  trans-75.654.5-176.900000113.2P1432 F1434P1432-A1436 HydrophobicContact CG-CB 3.85Å; F1434-A1436 HydrophobicContact CD2-CB 4.2Å; F1434-A1436 HydrophobicContact CE2-CB 3.67Å; F1434-A1436 HydrophobicContact CZ-CB 4.32Å; F1434-A1436 PolarHBondContact O-N 3.42Å
1437L86.8Confident85.8Confident22 Ų2247.5 Ų47.512%0.11524%0.24CC..  trans-116144.3-168.5-61174.1000112.6D1435 V1439 T1446 V1482 K1490 L1493 V1497D1435-L1437 HydrophobicContact CB-CD1 4.18Å; D1435-L1437 HydrophobicContact CB-CG 4.4Å; D1435-L1437 PolarHBondContact O-N 3.34Å; L1437-V1439 PolarHBondContact O-N 3.24Å; L1437-T1446 HydrophobicContact CD2-CG2 4.2Å; L1437-V1482 HydrophobicContact CB-CG1 4.18Å; L1437-V1482 HydrophobicContact CD1-CG1 4.37Å; L1437-K1490 HydrophobicContact CD1-CB 4.22Å; L1437-K1490 WeakPolarHBondContact CD1-O 3.47Å; L1437-L1493 HydrophobicContact CD1-CB 3.9Å; L1437-L1493 HydrophobicContact CD1-CD2 3.97Å; L1437-L1493 HydrophobicContact CD1-CG 3.9Å; L1437-L1493 HydrophobicContact CD2-CD2 4.31Å; L1437-L1493 HydrophobicContact CD2-CG 3.94Å; L1437-V1497 HydrophobicContact CD2-CG2 4.1Å
1438N84.7Confident86.9Confident76 Ų7647.6 Ų47.641%0.40624%0.242SC..  trans-76.4107.6172.3-171.8-15.7000110.5H1440 L1441N1438-H1440 PolarHBondContact O-N 2.76Å; N1438-H1440 VanDerWaalsContact O-N 3.07Å; N1438-H1440 WeakPolarHBondContact OD1-CB 3.46Å; N1438-H1440 PolarHBondContact OD1-N 3.35Å; N1438-L1441 HydrophobicContact CB-CB 4.44Å; N1438-L1441 HydrophobicContact CB-CD1 3.98Å; N1438-L1441 HydrophobicContact CB-CG 4.01Å; N1438-L1441 PolarHBondContact O-N 2.79Å; N1438-L1441 VanDerWaalsContact O-N 3.14Å
1439V84.6Confident87.3Confident62 Ų6251 Ų5138%0.37626%0.26SS..THydrogen-bonded Turntrans-54.8-24.3179.4175.50000113.6L1437 K1483L1437-V1439 PolarHBondContact O-N 3.24Å; V1439-K1483 HydrophobicContact CG1-CB 3.56Å; V1439-K1483 HydrophobicContact CG1-CD 4.32Å; V1439-K1483 HydrophobicContact CG1-CG 3.8Å; V1439-K1483 PolarHBondContact O-N 2.82Å
1440H86.2Confident87.4Confident147 Ų14754.6 Ų54.668%0.68127%0.274SS*.THydrogen-bonded Turntrans-96.3-3.1-176.5-60.8-91000114.9N1438 L1481N1438-H1440 PolarHBondContact O-N 2.76Å; N1438-H1440 VanDerWaalsContact O-N 3.07Å; N1438-H1440 WeakPolarHBondContact OD1-CB 3.46Å; N1438-H1440 PolarHBondContact OD1-N 3.35Å; H1440-L1481 WeakPolarHBondContact O-CD2 3.16Å
1441L88.6Confident87.4Confident36 Ų3652.6 Ų52.619%0.18827%0.266CS..SBendtrans-97.4162.9173.3-64.7-178.5000111N1438 E1445 T1446 L1449 V1482N1438-L1441 HydrophobicContact CB-CB 4.44Å; N1438-L1441 HydrophobicContact CB-CD1 3.98Å; N1438-L1441 HydrophobicContact CB-CG 4.01Å; N1438-L1441 PolarHBondContact O-N 2.79Å; N1438-L1441 VanDerWaalsContact O-N 3.14Å; L1441-E1445 HydrophobicContact CB-CB 4.28Å; L1441-E1445 HydrophobicContact CD2-CB 4.29Å; L1441-T1446 WeakPolarHBondContact CB-OG1 3.33Å; L1441-L1449 HydrophobicContact CD1-CD2 4.06Å; L1441-V1482 WeakPolarHBondContact O-CG2 3.2Å; L1441-V1482 PolarHBondContact O-N 2.8Å
1442T90.9Very high87.2Confident17 Ų1753.8 Ų53.810%0.10428%0.279CS..BIsolated β-bridgetrans-77.1164.2159.663.40000110.9K1444 E1445 T1446 A1478 D1479 K1480 L1481T1442-K1444 VanDerWaalsContact C-N 3.27Å; T1442-K1444 PolarHBondContact O-N 2.99Å; T1442-E1445 VanDerWaalsContact CB-OE2 3.31Å; T1442-E1445 WeakPolarHBondContact CB-OE2 3.26Å; T1442-E1445 VanDerWaalsContact CG2-OE2 3.32Å; T1442-E1445 WeakPolarHBondContact CG2-OE2 3.38Å; T1442-E1445 PolarHBondContact N-OE2 2.98Å; T1442-E1445 WeakPolarHBondContact OG1-CB 3.13Å; T1442-E1445 VanDerWaalsContact OG1-CD 3.27Å; T1442-E1445 VanDerWaalsContact OG1-CG 3.25Å; T1442-E1445 WeakPolarHBondContact OG1-CG 3.35Å; T1442-E1445 PolarHBondContact OG1-N 2.64Å; T1442-E1445 VanDerWaalsContact OG1-N 3.14Å; T1442-E1445 PolarHBondContact OG1-OE2 2.92Å; T1442-T1446 WeakPolarHBondContact O-CB 3.24Å; T1442-T1446 PolarHBondContact O-N 2.95Å; T1442-T1446 PolarHBondContact O-OG1 2.87Å; T1442-A1478 WeakPolarHBondContact CB-O 3.5Å; T1442-D1479 VanDerWaalsContact CG2-O 3.28Å; T1442-D1479 WeakPolarHBondContact CG2-O 3.33Å; T1442-K1480 WeakPolarHBondContact CA-O 3.49Å; T1442-L1481 HydrophobicContact CG2-CD2 4.43Å
1443A89Confident87.1Confident0 Ų058.3 Ų58.30%030%0.301CS..Hα-helixtrans-60.6-39.6171.900000111.7T1446 L1447 A1478 Y1485 L1493A1443-T1446 PolarHBondContact O-N 2.81Å; A1443-L1447 WeakPolarHBondContact O-CB 3.48Å; A1443-L1447 VanDerWaalsContact O-CG 3.25Å; A1443-L1447 WeakPolarHBondContact O-CG 3.01Å; A1443-L1447 PolarHBondContact O-N 3.2Å; A1443-A1478 PolarHBondContact N-O 2.77Å; A1443-A1478 VanDerWaalsContact N-O 3.16Å; A1443-Y1485 HydrophobicContact CB-CE2 4.23Å; A1443-Y1485 WeakPolarHBondContact CB-OH 3.22Å; A1443-L1493 HydrophobicContact CB-CD1 3.75Å; A1443-L1493 HydrophobicContact CB-CD2 3.85Å; A1443-L1493 HydrophobicContact CB-CG 4.43Å
1444K90.7Very high87.1Confident102 Ų10256 Ų5644%0.44329%0.288SS..Hα-helixtrans-62.8-43.9-178.7-165.1177.9-171.3177.50112.4T1442 S1448 V1465 I1469 A1478 D1479T1442-K1444 VanDerWaalsContact C-N 3.27Å; T1442-K1444 PolarHBondContact O-N 2.99Å; K1444-S1448 VanDerWaalsContact O-CB 3.24Å; K1444-S1448 WeakPolarHBondContact O-CB 3.48Å; K1444-S1448 PolarHBondContact O-N 3.38Å; K1444-V1465 HydrophobicContact CG-CG1 4.3Å; K1444-I1469 HydrophobicContact CB-CD1 4.3Å; K1444-I1469 HydrophobicContact CG-CD1 4.31Å; K1444-A1478 PolarHBondContact N-O 2.86Å; K1444-D1479 WeakPolarHBondContact CD-OD1 3.23Å; K1444-D1479 IonicContact NZ-OD1 2.92Å; K1444-D1479 PolarHBondContact NZ-OD1 3.37Å; K1444-D1479 IonicContact NZ-OD2 2.71Å
1445E91.6Very high86.9Confident97 Ų9751.4 Ų51.445%0.45328%0.277SS..Hα-helixtrans-67.6-43172.5-69.1161.7132.200111.8L1441 T1442 L1447 S1448 L1449L1441-E1445 HydrophobicContact CB-CB 4.28Å; L1441-E1445 HydrophobicContact CD2-CB 4.29Å; T1442-E1445 VanDerWaalsContact CB-OE2 3.31Å; T1442-E1445 WeakPolarHBondContact CB-OE2 3.26Å; T1442-E1445 VanDerWaalsContact CG2-OE2 3.32Å; T1442-E1445 WeakPolarHBondContact CG2-OE2 3.38Å; T1442-E1445 PolarHBondContact N-OE2 2.98Å; T1442-E1445 WeakPolarHBondContact OG1-CB 3.13Å; T1442-E1445 VanDerWaalsContact OG1-CD 3.27Å; T1442-E1445 VanDerWaalsContact OG1-CG 3.25Å; T1442-E1445 WeakPolarHBondContact OG1-CG 3.35Å; T1442-E1445 PolarHBondContact OG1-N 2.64Å; T1442-E1445 VanDerWaalsContact OG1-N 3.14Å; T1442-E1445 PolarHBondContact OG1-OE2 2.92Å; E1445-L1447 PolarHBondContact O-N 3.44Å; E1445-S1448 PolarHBondContact O-N 2.88Å; E1445-L1449 WeakPolarHBondContact O-CB 3.4Å; E1445-L1449 PolarHBondContact O-N 3.21Å
1446T92.8Very high87Confident1 Ų150.1 Ų50.11%0.00627%0.27CS..Hα-helixtrans-57.4-50.8178.4-59.80000110.9L1437 L1441 T1442 A1443 S1448 L1449 Y1450 V1497L1437-T1446 HydrophobicContact CD2-CG2 4.2Å; L1441-T1446 WeakPolarHBondContact CB-OG1 3.33Å; T1442-T1446 WeakPolarHBondContact O-CB 3.24Å; T1442-T1446 PolarHBondContact O-N 2.95Å; T1442-T1446 PolarHBondContact O-OG1 2.87Å; A1443-T1446 PolarHBondContact O-N 2.81Å; T1446-S1448 PolarHBondContact O-N 2.88Å; T1446-L1449 WeakPolarHBondContact O-CB 3.44Å; T1446-L1449 PolarHBondContact O-N 3.03Å; T1446-Y1450 HydrophobicContact CG2-CD2 3.86Å; T1446-Y1450 HydrophobicContact CG2-CE2 3.83Å; T1446-Y1450 VanDerWaalsContact O-CD2 3.22Å; T1446-Y1450 WeakPolarHBondContact O-CD2 3.14Å; T1446-Y1450 PolarHBondContact O-N 3.27Å; T1446-V1497 HydrophobicContact CG2-CG2 4.06Å
1447L91.4Very high87.2Confident0 Ų053.4 Ų53.40%028%0.279CS..Hα-helixtrans-66.7-36.5178.3-62.8171.4000111.7A1443 E1445 A1451 V1465 C1468 I1469 L1493 A1496 V1497 I1500A1443-L1447 WeakPolarHBondContact O-CB 3.48Å; A1443-L1447 VanDerWaalsContact O-CG 3.25Å; A1443-L1447 WeakPolarHBondContact O-CG 3.01Å; A1443-L1447 PolarHBondContact O-N 3.2Å; E1445-L1447 PolarHBondContact O-N 3.44Å; L1447-A1451 WeakPolarHBondContact O-CB 3.42Å; L1447-A1451 PolarHBondContact O-N 3.18Å; L1447-V1465 HydrophobicContact CB-CB 4.41Å; L1447-V1465 HydrophobicContact CB-CG1 3.96Å; L1447-V1465 HydrophobicContact CB-CG2 3.9Å; L1447-V1465 HydrophobicContact CD1-CG1 4.45Å; L1447-C1468 HydrophobicContact CD1-CB 4.24Å; L1447-I1469 HydrophobicContact CD1-CD1 4.23Å; L1447-I1469 HydrophobicContact CD1-CG1 3.57Å; L1447-L1493 HydrophobicContact CD1-CD1 4.18Å; L1447-L1493 HydrophobicContact CD2-CD1 3.89Å; L1447-L1493 HydrophobicContact CG-CD1 3.89Å; L1447-A1496 HydrophobicContact CD1-CB 4.48Å; L1447-A1496 HydrophobicContact CD2-CB 3.69Å; L1447-V1497 HydrophobicContact CD2-CG2 3.97Å; L1447-I1500 HydrophobicContact CB-CD1 4.27Å; L1447-I1500 HydrophobicContact CD2-CD1 3.75Å; L1447-I1500 HydrophobicContact CD2-CG1 4.26Å
1448S90.8Very high87Confident45 Ų4560.8 Ų60.832%0.31531%0.31SS..Hα-helixtrans-65.4-37174.6-173.80000112.9K1444 E1445 T1446 G1452 R1461K1444-S1448 VanDerWaalsContact O-CB 3.24Å; K1444-S1448 WeakPolarHBondContact O-CB 3.48Å; K1444-S1448 PolarHBondContact O-N 3.38Å; E1445-S1448 PolarHBondContact O-N 2.88Å; T1446-S1448 PolarHBondContact O-N 2.88Å; S1448-G1452 PolarHBondContact O-N 3.44Å; S1448-R1461 WeakPolarHBondContact O-CD 3.09Å; S1448-R1461 WeakPolarHBondContact OG-CD 3.14Å
1449L90.3Very high87Confident89 Ų8966.5 Ų66.547%0.46633%0.326SS..Hα-helixtrans-65.3-52.7174.3176.662.6000110.8L1441 E1445 T1446 A1451 G1452 I1453L1441-L1449 HydrophobicContact CD1-CD2 4.06Å; E1445-L1449 WeakPolarHBondContact O-CB 3.4Å; E1445-L1449 PolarHBondContact O-N 3.21Å; T1446-L1449 WeakPolarHBondContact O-CB 3.44Å; T1446-L1449 PolarHBondContact O-N 3.03Å; L1449-A1451 VanDerWaalsContact C-N 3.34Å; L1449-A1451 PolarHBondContact O-N 2.86Å; L1449-G1452 WeakPolarHBondContact O-CA 3.33Å; L1449-G1452 PolarHBondContact O-N 2.99Å; L1449-I1453 HydrophobicContact CD1-CD1 4.24Å; L1449-I1453 HydrophobicContact CG-CD1 4.09Å; L1449-I1453 WeakPolarHBondContact O-CG1 3.15Å; L1449-I1453 PolarHBondContact O-N 3.39Å
1450Y89.1Confident87Confident74 Ų7467.6 Ų67.629%0.2933%0.329SS..Hα-helixtrans-66.8-32.4179.3-76.4-71.4000113T1446 G1452 I1453 R1454 V1497T1446-Y1450 HydrophobicContact CG2-CD2 3.86Å; T1446-Y1450 HydrophobicContact CG2-CE2 3.83Å; T1446-Y1450 VanDerWaalsContact O-CD2 3.22Å; T1446-Y1450 WeakPolarHBondContact O-CD2 3.14Å; T1446-Y1450 PolarHBondContact O-N 3.27Å; Y1450-G1452 VanDerWaalsContact C-N 3.31Å; Y1450-G1452 PolarHBondContact O-N 3.04Å; Y1450-I1453 HydrophobicContact CD1-CD1 4.13Å; Y1450-I1453 HydrophobicContact CE1-CD1 4.42Å; Y1450-I1453 PolarHBondContact O-N 2.84Å; Y1450-R1454 WeakPolarHBondContact O-CB 3.47Å; Y1450-R1454 VanDerWaalsContact O-CG 3.3Å; Y1450-R1454 WeakPolarHBondContact O-CG 3.17Å; Y1450-R1454 PolarHBondContact O-N 2.92Å; Y1450-V1497 HydrophobicContact CD1-CG1 3.84Å; Y1450-V1497 HydrophobicContact CD2-CB 4.27Å; Y1450-V1497 HydrophobicContact CD2-CG1 3.61Å; Y1450-V1497 HydrophobicContact CD2-CG2 3.59Å; Y1450-V1497 HydrophobicContact CE1-CG1 4.09Å; Y1450-V1497 HydrophobicContact CE2-CG1 3.89Å; Y1450-V1497 HydrophobicContact CE2-CG2 3.97Å; Y1450-V1497 HydrophobicContact CG-CG1 3.6Å; Y1450-V1497 HydrophobicContact CG-CG2 4.28Å
1451A88.7Confident87Confident0 Ų063 Ų630%031%0.306CS..Hα-helixtrans-63.5-35.9168.900000112.6L1447 L1449 R1454 G1455 I1456 R1461 V1465 I1500L1447-A1451 WeakPolarHBondContact O-CB 3.42Å; L1447-A1451 PolarHBondContact O-N 3.18Å; L1449-A1451 VanDerWaalsContact C-N 3.34Å; L1449-A1451 PolarHBondContact O-N 2.86Å; A1451-R1454 CarbonylContact O-C 3.59Å; A1451-R1454 PolarHBondContact O-N 3.39Å; A1451-G1455 PolarHBondContact O-N 3.12Å; A1451-I1456 HydrophobicContact CB-CB 4.38Å; A1451-I1456 HydrophobicContact CB-CD1 4.09Å; A1451-I1456 WeakPolarHBondContact O-CB 3.39Å; A1451-I1456 PolarHBondContact O-N 2.79Å; A1451-R1461 HydrophobicContact CB-CG 3.82Å; A1451-V1465 HydrophobicContact CB-CG2 4.48Å; A1451-I1500 HydrophobicContact CB-CG2 3.81Å
1452G86.1Confident86.9Confident27 Ų2768.7 Ų68.728%0.27833%0.332SS..Hα-helixtrans-65.8-40.3170.400000113.8S1448 L1449 Y1450 R1454 G1455S1448-G1452 PolarHBondContact O-N 3.44Å; L1449-G1452 WeakPolarHBondContact O-CA 3.33Å; L1449-G1452 PolarHBondContact O-N 2.99Å; Y1450-G1452 VanDerWaalsContact C-N 3.31Å; Y1450-G1452 PolarHBondContact O-N 3.04Å; G1452-R1454 VanDerWaalsContact C-N 3.35Å; G1452-G1455 PolarHBondContact O-N 3.13Å
1453I84.5Confident86.8Confident109 Ų10973 Ų7356%0.55935%0.354SS*.Hα-helixtrans-68.9-35.4176.3-64.3165000110.9L1449 Y1450 G1455L1449-I1453 HydrophobicContact CD1-CD1 4.24Å; L1449-I1453 HydrophobicContact CG-CD1 4.09Å; L1449-I1453 WeakPolarHBondContact O-CG1 3.15Å; L1449-I1453 PolarHBondContact O-N 3.39Å; Y1450-I1453 HydrophobicContact CD1-CD1 4.13Å; Y1450-I1453 HydrophobicContact CE1-CD1 4.42Å; Y1450-I1453 PolarHBondContact O-N 2.84Å; I1453-G1455 PolarHBondContact O-N 2.89Å
1454R80.7Confident86.7Confident50 Ų5074.5 Ų74.519%0.18936%0.363CS..THydrogen-bonded Turntrans-72.16168.8-71.4-78.3-167.7-163.2-2.8113.6Q1425 S1426 I1428 Y1450 A1451 G1452 I1456 I1500Q1425-R1454 WeakPolarHBondContact CG-O 3.46Å; Q1425-R1454 PolarHBondContact NE2-O 2.84Å; Q1425-R1454 PolarHBondContact OE1-O 2.69Å; S1426-R1454 PolarHBondContact O-NH1 3.06Å; I1428-R1454 VanDerWaalsContact O-CZ 3.3Å; I1428-R1454 PolarHBondContact O-NH1 3.32Å; I1428-R1454 PolarHBondContact O-NH2 3.1Å; Y1450-R1454 WeakPolarHBondContact O-CB 3.47Å; Y1450-R1454 VanDerWaalsContact O-CG 3.3Å; Y1450-R1454 WeakPolarHBondContact O-CG 3.17Å; Y1450-R1454 PolarHBondContact O-N 2.92Å; A1451-R1454 CarbonylContact O-C 3.59Å; A1451-R1454 PolarHBondContact O-N 3.39Å; G1452-R1454 VanDerWaalsContact C-N 3.35Å; R1454-I1456 HydrophobicContact CB-CD1 4.47Å; R1454-I1456 HydrophobicContact CB-CG1 4.26Å; R1454-I1456 PolarHBondContact O-N 3.41Å; R1454-I1500 HydrophobicContact CB-CG2 4.16Å; R1454-I1500 HydrophobicContact CG-CB 4.42Å; R1454-I1500 HydrophobicContact CG-CG2 3.95Å; R1454-I1500 PolarHBondContact NE-O 3.42Å
1455G77.2Confident86.7Confident33 Ų3370.1 Ų70.134%0.3435%0.345SS..THydrogen-bonded Turntrans71.710.217400000115.8A1451 G1452 I1453 E1457A1451-G1455 PolarHBondContact O-N 3.12Å; G1452-G1455 PolarHBondContact O-N 3.13Å; I1453-G1455 PolarHBondContact O-N 2.89Å; G1455-E1457 PolarHBondContact O-N 3.37Å
1456I83.8Confident86.6Confident26 Ų2668.1 Ų68.113%0.13334%0.342CS..  trans-68.2128.6-179.7-55.8-179.1000109.2A1451 R1454 D1460 R1461 V1464 I1500A1451-I1456 HydrophobicContact CB-CB 4.38Å; A1451-I1456 HydrophobicContact CB-CD1 4.09Å; A1451-I1456 WeakPolarHBondContact O-CB 3.39Å; A1451-I1456 PolarHBondContact O-N 2.79Å; R1454-I1456 HydrophobicContact CB-CD1 4.47Å; R1454-I1456 HydrophobicContact CB-CG1 4.26Å; R1454-I1456 PolarHBondContact O-N 3.41Å; I1456-D1460 HydrophobicContact CG2-CB 4.28Å; I1456-R1461 PolarHBondContact O-NE 3.21Å; I1456-R1461 PolarHBondContact O-NH2 3.36Å; I1456-V1464 HydrophobicContact CD1-CG1 4.01Å; I1456-V1464 HydrophobicContact CD1-CG2 4.38Å; I1456-V1464 HydrophobicContact CG2-CG2 4.3Å; I1456-I1500 HydrophobicContact CD1-CG2 3.68Å
1457E83.2Confident86.3Confident109 Ų10969.3 Ų69.351%0.50935%0.351SS..  trans-53.4149.1-179.8-79.7-148.1176.700112G1455 R1459 D1460 R1461G1455-E1457 PolarHBondContact O-N 3.37Å; E1457-R1459 PolarHBondContact O-N 3.36Å; E1457-R1459 VanDerWaalsContact O-N 3.09Å; E1457-R1459 IonicContact OE2-NH1 2.81Å; E1457-R1459 PolarHBondContact OE2-NH1 3.2Å; E1457-D1460 PolarHBondContact O-N 2.91Å; E1457-R1461 VanDerWaalsContact O-CB 3.32Å; E1457-R1461 WeakPolarHBondContact O-CB 3.22Å; E1457-R1461 PolarHBondContact O-N 2.84Å; E1457-R1461 VanDerWaalsContact O-N 3.08Å
1458K81.6Confident86.2Confident177 Ų17769.6 Ų69.677%0.7735%0.354SS*.THydrogen-bonded Turntrans-58.4-24.6178.4-73.1-175.5177-179.80113.1
1459R84.4Confident86.2Confident195 Ų19568.2 Ų68.274%0.73634%0.343SS*.THydrogen-bonded Turntrans-67.3-61.3177.4-66.1171.6174.6154.8-9.1110.9E1457 R1461E1457-R1459 PolarHBondContact O-N 3.36Å; E1457-R1459 VanDerWaalsContact O-N 3.09Å; E1457-R1459 IonicContact OE2-NH1 2.81Å; E1457-R1459 PolarHBondContact OE2-NH1 3.2Å; R1459-R1461 VanDerWaalsContact C-N 3.31Å; R1459-R1461 PolarHBondContact O-N 3.37Å
1460D85Confident86.1Confident85 Ų8572.5 Ų72.546%0.45535%0.352SS..THydrogen-bonded Turntrans-77-19.6-173.3-49.9-60.5000113.2I1456 E1457 Q1462 N1463 V1464I1456-D1460 HydrophobicContact CG2-CB 4.28Å; E1457-D1460 PolarHBondContact O-N 2.91Å; D1460-Q1462 VanDerWaalsContact C-N 3.26Å; D1460-Q1462 PolarHBondContact O-N 3.5Å; D1460-Q1462 VanDerWaalsContact O-N 3.15Å; D1460-N1463 WeakPolarHBondContact O-CA 3.29Å; D1460-N1463 WeakPolarHBondContact O-CB 3.43Å; D1460-N1463 PolarHBondContact O-N 2.66Å; D1460-V1464 PolarHBondContact O-N 3.47Å
1461R87.6Confident86Confident52 Ų5274.4 Ų74.420%0.19636%0.359CS..Hα-helixtrans-49.6-41.7-178.8-171.3173.5-56-171.38.2114.1S1448 A1451 I1456 E1457 R1459 N1463 V1465S1448-R1461 WeakPolarHBondContact O-CD 3.09Å; S1448-R1461 WeakPolarHBondContact OG-CD 3.14Å; A1451-R1461 HydrophobicContact CB-CG 3.82Å; I1456-R1461 PolarHBondContact O-NE 3.21Å; I1456-R1461 PolarHBondContact O-NH2 3.36Å; E1457-R1461 VanDerWaalsContact O-CB 3.32Å; E1457-R1461 WeakPolarHBondContact O-CB 3.22Å; E1457-R1461 PolarHBondContact O-N 2.84Å; E1457-R1461 VanDerWaalsContact O-N 3.08Å; R1459-R1461 VanDerWaalsContact C-N 3.31Å; R1459-R1461 PolarHBondContact O-N 3.37Å; R1461-N1463 VanDerWaalsContact C-N 3.35Å; R1461-V1465 HydrophobicContact CG-CG2 4.33Å; R1461-V1465 VanDerWaalsContact O-CB 3.29Å; R1461-V1465 WeakPolarHBondContact O-CB 3.3Å; R1461-V1465 WeakPolarHBondContact O-CG2 3.31Å; R1461-V1465 PolarHBondContact O-N 3.17Å
1462Q86.1Confident85.9Confident154 Ų15474.5 Ų74.572%0.7236%0.36SS*.Hα-helixtrans-69.3-34.8179.5-63.7-170.5100112.2D1460 S1466D1460-Q1462 VanDerWaalsContact C-N 3.26Å; D1460-Q1462 PolarHBondContact O-N 3.5Å; D1460-Q1462 VanDerWaalsContact O-N 3.15Å; Q1462-S1466 WeakPolarHBondContact O-CB 3.32Å; Q1462-S1466 PolarHBondContact O-N 2.99Å; Q1462-S1466 PolarHBondContact O-OG 3.31Å
1463N88.5Confident85.8Confident107 Ų10774.4 Ų74.457%0.57236%0.359SS*.Hα-helixtrans-69.6-44.9176.6-61.3-22.6000110.8D1460 R1461 S1466 A1467D1460-N1463 WeakPolarHBondContact O-CA 3.29Å; D1460-N1463 WeakPolarHBondContact O-CB 3.43Å; D1460-N1463 PolarHBondContact O-N 2.66Å; R1461-N1463 VanDerWaalsContact C-N 3.35Å; N1463-S1466 PolarHBondContact O-OG 3.23Å; N1463-S1466 VanDerWaalsContact O-OG 3.11Å; N1463-A1467 VanDerWaalsContact O-CB 3.26Å; N1463-A1467 WeakPolarHBondContact O-CB 3.39Å; N1463-A1467 PolarHBondContact O-N 2.95Å
1464V87.7Confident86Confident33 Ų3369.2 Ų69.220%0.233%0.332CS..Hα-helixtrans-63.5-48.3175.7178.10000111.1I1456 D1460 S1466 A1467 C1468I1456-V1464 HydrophobicContact CD1-CG1 4.01Å; I1456-V1464 HydrophobicContact CD1-CG2 4.38Å; I1456-V1464 HydrophobicContact CG2-CG2 4.3Å; D1460-V1464 PolarHBondContact O-N 3.47Å; V1464-S1466 PolarHBondContact O-N 3.14Å; V1464-A1467 PolarHBondContact O-N 2.84Å; V1464-C1468 PolarHBondContact O-N 2.7Å; V1464-C1468 PolarHBondContact O-SG 2.96Å
1465V90Very high86.2Confident10 Ų1071.1 Ų71.16%0.06135%0.349CS..Hα-helixtrans-60.5-46179.41680000111.6K1444 L1447 A1451 R1461 C1468 I1469K1444-V1465 HydrophobicContact CG-CG1 4.3Å; L1447-V1465 HydrophobicContact CB-CB 4.41Å; L1447-V1465 HydrophobicContact CB-CG1 3.96Å; L1447-V1465 HydrophobicContact CB-CG2 3.9Å; L1447-V1465 HydrophobicContact CD1-CG1 4.45Å; A1451-V1465 HydrophobicContact CB-CG2 4.48Å; R1461-V1465 HydrophobicContact CG-CG2 4.33Å; R1461-V1465 VanDerWaalsContact O-CB 3.29Å; R1461-V1465 WeakPolarHBondContact O-CB 3.3Å; R1461-V1465 WeakPolarHBondContact O-CG2 3.31Å; R1461-V1465 PolarHBondContact O-N 3.17Å; V1465-C1468 PolarHBondContact O-N 3.38Å; V1465-I1469 HydrophobicContact CG1-CD1 3.72Å; V1465-I1469 HydrophobicContact CG1-CG1 4.49Å; V1465-I1469 VanDerWaalsContact O-CG1 3.27Å; V1465-I1469 WeakPolarHBondContact O-CG1 3.27Å; V1465-I1469 PolarHBondContact O-N 2.95Å
1466S89.6Confident86.5Confident54 Ų5476.7 Ų76.738%0.37837%0.367SS..Hα-helixtrans-68.6-33.6178.358.80000112.9Q1462 N1463 V1464 R1470Q1462-S1466 WeakPolarHBondContact O-CB 3.32Å; Q1462-S1466 PolarHBondContact O-N 2.99Å; Q1462-S1466 PolarHBondContact O-OG 3.31Å; N1463-S1466 PolarHBondContact O-OG 3.23Å; N1463-S1466 VanDerWaalsContact O-OG 3.11Å; V1464-S1466 PolarHBondContact O-N 3.14Å; S1466-R1470 WeakPolarHBondContact O-CB 3.49Å; S1466-R1470 PolarHBondContact O-N 2.9Å
1467A86.9Confident86.6Confident26 Ų2676.1 Ų76.122%0.21536%0.364CS..Hα-helixtrans-64.1-44.9171.100000112.2N1463 V1464 R1470 R1471N1463-A1467 VanDerWaalsContact O-CB 3.26Å; N1463-A1467 WeakPolarHBondContact O-CB 3.39Å; N1463-A1467 PolarHBondContact O-N 2.95Å; V1464-A1467 PolarHBondContact O-N 2.84Å; A1467-R1470 PolarHBondContact O-N 3.39Å; A1467-R1471 WeakPolarHBondContact O-CB 3.42Å; A1467-R1471 WeakPolarHBondContact O-CG 3.33Å; A1467-R1471 PolarHBondContact O-N 2.8Å
1468C88.1Confident86.6Confident7 Ų771.2 Ų71.25%0.04734%0.343CS..Hα-helixtrans-62-45.2175.4-68.30000112.3L1447 V1464 V1465 R1470 R1471 L1472L1447-C1468 HydrophobicContact CD1-CB 4.24Å; V1464-C1468 PolarHBondContact O-N 2.7Å; V1464-C1468 PolarHBondContact O-SG 2.96Å; V1465-C1468 PolarHBondContact O-N 3.38Å; C1468-R1470 VanDerWaalsContact C-N 3.28Å; C1468-R1470 PolarHBondContact O-N 2.83Å; C1468-R1471 PolarHBondContact O-N 2.9Å; C1468-L1472 PolarHBondContact O-N 3.16Å
1469I91Very high86.9Confident16 Ų1667.7 Ų67.78%0.08233%0.332CS..Hα-helixtrans-59.8-39.8176.9-70.6166.5000111K1444 L1447 V1465 G1473 L1474 T1475 A1478K1444-I1469 HydrophobicContact CB-CD1 4.3Å; K1444-I1469 HydrophobicContact CG-CD1 4.31Å; L1447-I1469 HydrophobicContact CD1-CD1 4.23Å; L1447-I1469 HydrophobicContact CD1-CG1 3.57Å; V1465-I1469 HydrophobicContact CG1-CD1 3.72Å; V1465-I1469 HydrophobicContact CG1-CG1 4.49Å; V1465-I1469 VanDerWaalsContact O-CG1 3.27Å; V1465-I1469 WeakPolarHBondContact O-CG1 3.27Å; V1465-I1469 PolarHBondContact O-N 2.95Å; I1469-G1473 PolarHBondContact O-N 3.47Å; I1469-L1474 HydrophobicContact CG2-CB 4.15Å; I1469-L1474 PolarHBondContact O-N 3.29Å; I1469-T1475 HydrophobicContact CG2-CG2 4.03Å; I1469-A1478 HydrophobicContact CD1-CB 4.24Å; I1469-A1478 HydrophobicContact CG2-CB 4.02Å
1470R89.2Confident87Confident178 Ų17863.4 Ų63.467%0.67232%0.319SS*.Hα-helixtrans-71.7-49.1177.9-174.3171.864.1-115.11112.4S1466 A1467 C1468 L1472 G1473S1466-R1470 WeakPolarHBondContact O-CB 3.49Å; S1466-R1470 PolarHBondContact O-N 2.9Å; A1467-R1470 PolarHBondContact O-N 3.39Å; C1468-R1470 VanDerWaalsContact C-N 3.28Å; C1468-R1470 PolarHBondContact O-N 2.83Å; R1470-L1472 VanDerWaalsContact C-N 3.27Å; R1470-L1472 PolarHBondContact O-N 2.95Å; R1470-G1473 PolarHBondContact O-N 2.86Å
1471R86.5Confident87Confident114 Ų11463.7 Ų63.743%0.4332%0.32SS..Hα-helixtrans-52.3-43.7178.9-81.7179.7172.8166.6-3.5111.9A1467 C1468 D1502A1467-R1471 WeakPolarHBondContact O-CB 3.42Å; A1467-R1471 WeakPolarHBondContact O-CG 3.33Å; A1467-R1471 PolarHBondContact O-N 2.8Å; C1468-R1471 PolarHBondContact O-N 2.9Å; R1471-D1502 IonicContact CZ-OD1 2.7Å; R1471-D1502 IonicContact NH1-OD1 3.43Å; R1471-D1502 PolarHBondContact NH1-OD1 2.71Å; R1471-D1502 IonicContact NH2-OD1 3.83Å
1472L86.7Confident86.9Confident2 Ų261.2 Ų61.21%0.0131%0.311CS..THydrogen-bonded Turntrans-101.212.9-173.6-72163.7000115.1C1468 R1470 L1474 A1495 A1496 L1499 L1523 T1526C1468-L1472 PolarHBondContact O-N 3.16Å; R1470-L1472 VanDerWaalsContact C-N 3.27Å; R1470-L1472 PolarHBondContact O-N 2.95Å; L1472-L1474 HydrophobicContact CB-CG 4.42Å; L1472-L1474 PolarHBondContact O-N 3.02Å; L1472-A1495 HydrophobicContact CD1-CB 4.42Å; L1472-A1496 HydrophobicContact CD1-CB 3.45Å; L1472-A1496 VanDerWaalsContact CD1-CB 3.45Å; L1472-L1499 HydrophobicContact CD1-CD1 4.22Å; L1472-L1523 HydrophobicContact CD2-CD1 3.67Å; L1472-T1526 HydrophobicContact CD2-CG2 4.06Å; L1472-T1526 HydrophobicContact CG-CG2 4.43Å
1473G84.3Confident86.6Confident25 Ų2561.3 Ų61.326%0.25831%0.309SS..THydrogen-bonded Turntrans60.343.7173.100000113.7I1469 R1470I1469-G1473 PolarHBondContact O-N 3.47Å; R1470-G1473 PolarHBondContact O-N 2.86Å
1474L87.2Confident86.2Confident0 Ų061 Ų610%031%0.31CS..  trans-98.33.6179.9-64.7178.5000113.2I1469 L1472 E1476 V1477 A1478 F1489 R1492 L1493 A1496I1469-L1474 HydrophobicContact CG2-CB 4.15Å; I1469-L1474 PolarHBondContact O-N 3.29Å; L1472-L1474 HydrophobicContact CB-CG 4.42Å; L1472-L1474 PolarHBondContact O-N 3.02Å; L1474-E1476 PolarHBondContact O-N 2.98Å; L1474-V1477 HydrophobicContact CB-CG2 4.5Å; L1474-V1477 HydrophobicContact CD2-CG2 4.35Å; L1474-V1477 CarbonylContact O-C 3.45Å; L1474-V1477 WeakPolarHBondContact O-CG2 3.44Å; L1474-V1477 PolarHBondContact O-N 3.03Å; L1474-V1477 VanDerWaalsContact O-N 3.14Å; L1474-A1478 WeakPolarHBondContact O-CA 3.37Å; L1474-A1478 WeakPolarHBondContact O-CB 3.41Å; L1474-A1478 PolarHBondContact O-N 2.99Å; L1474-F1489 HydrophobicContact CD2-CD1 3.92Å; L1474-R1492 HydrophobicContact CD2-CB 3.83Å; L1474-L1493 HydrophobicContact CD1-CB 4.18Å; L1474-L1493 HydrophobicContact CD1-CD1 4.04Å; L1474-A1496 HydrophobicContact CD1-CB 4.26Å
1475T86.2Confident85.8Confident90 Ų9059.8 Ų59.855%0.55230%0.302SS*.G310 helixtrans-55.9-45.9-17345.40000113.8I1469 V1477I1469-T1475 HydrophobicContact CG2-CG2 4.03Å; T1475-V1477 PolarHBondContact O-N 2.83Å; T1475-V1477 VanDerWaalsContact O-N 3.13Å
1476E82.3Confident85.2Confident151 Ų15162.5 Ų62.571%0.70632%0.322SS*.G310 helixtrans-63.9-16.5-179.4-64.2174-155.800114.5L1474 K1480L1474-E1476 PolarHBondContact O-N 2.98Å; E1476-K1480 PolarHBondContact O-NZ 2.86Å
1477V85.5Confident84.5Confident14 Ų1462 Ų629%0.08533%0.325CS..G310 helixtrans-125.4-3.6-173.5-62.50000113.6L1474 T1475 D1479 K1480 Y1485 F1489L1474-V1477 HydrophobicContact CB-CG2 4.5Å; L1474-V1477 HydrophobicContact CD2-CG2 4.35Å; L1474-V1477 CarbonylContact O-C 3.45Å; L1474-V1477 WeakPolarHBondContact O-CG2 3.44Å; L1474-V1477 PolarHBondContact O-N 3.03Å; L1474-V1477 VanDerWaalsContact O-N 3.14Å; T1475-V1477 PolarHBondContact O-N 2.83Å; T1475-V1477 VanDerWaalsContact O-N 3.13Å; V1477-D1479 VanDerWaalsContact C-N 3.32Å; V1477-D1479 PolarHBondContact O-N 3.5Å; V1477-D1479 VanDerWaalsContact O-N 3.13Å; V1477-K1480 HydrophobicContact CB-CD 4.48Å; V1477-K1480 HydrophobicContact CG1-CD 4.39Å; V1477-K1480 WeakPolarHBondContact O-CB 3.34Å; V1477-K1480 PolarHBondContact O-N 3.01Å; V1477-Y1485 HydrophobicContact CB-CD1 4.35Å; V1477-Y1485 HydrophobicContact CB-CE1 3.75Å; V1477-Y1485 HydrophobicContact CG2-CE1 4.08Å; V1477-Y1485 HydrophobicContact CG2-CE2 3.98Å; V1477-Y1485 WeakPolarHBondContact O-CE1 3.3Å; V1477-Y1485 PolarHBondContact O-OH 3.47Å; V1477-F1489 HydrophobicContact CG1-CD2 4.45Å; V1477-F1489 HydrophobicContact CG1-CE1 4.5Å; V1477-F1489 HydrophobicContact CG1-CE2 4.25Å; V1477-F1489 HydrophobicContact CG1-CZ 4.27Å; V1477-F1489 HydrophobicContact CG2-CD1 3.94Å; V1477-F1489 HydrophobicContact CG2-CE1 4.13Å; V1477-F1489 HydrophobicContact CG2-CG 4.37Å
1478A84.7Confident84Confident6 Ų661 Ų615%0.0532%0.317CS..THydrogen-bonded Turntrans-53.4-42-164.800000114.9T1442 A1443 K1444 I1469 L1474T1442-A1478 WeakPolarHBondContact CB-O 3.5Å; A1443-A1478 PolarHBondContact N-O 2.77Å; A1443-A1478 VanDerWaalsContact N-O 3.16Å; K1444-A1478 PolarHBondContact N-O 2.86Å; I1469-A1478 HydrophobicContact CD1-CB 4.24Å; I1469-A1478 HydrophobicContact CG2-CB 4.02Å; L1474-A1478 WeakPolarHBondContact O-CA 3.37Å; L1474-A1478 WeakPolarHBondContact O-CB 3.41Å; L1474-A1478 PolarHBondContact O-N 2.99Å
1479D87.5Confident84Confident103 Ų10362.7 Ų62.755%0.55132%0.324SS*.THydrogen-bonded Turntrans-975.8-179.6-51-88000113.1T1442 K1444 V1477T1442-D1479 VanDerWaalsContact CG2-O 3.28Å; T1442-D1479 WeakPolarHBondContact CG2-O 3.33Å; K1444-D1479 WeakPolarHBondContact CD-OD1 3.23Å; K1444-D1479 IonicContact NZ-OD1 2.92Å; K1444-D1479 PolarHBondContact NZ-OD1 3.37Å; K1444-D1479 IonicContact NZ-OD2 2.71Å; V1477-D1479 VanDerWaalsContact C-N 3.32Å; V1477-D1479 PolarHBondContact O-N 3.5Å; V1477-D1479 VanDerWaalsContact O-N 3.13Å
1480K86Confident83.8Confident105 Ų10564.6 Ų64.646%0.45733%0.331SS..SBendtrans-87.5148.8170.1-61.7172.8-175.1147.10110.1T1442 E1476 V1477 Y1485T1442-K1480 WeakPolarHBondContact CA-O 3.49Å; E1476-K1480 PolarHBondContact O-NZ 2.86Å; V1477-K1480 HydrophobicContact CB-CD 4.48Å; V1477-K1480 HydrophobicContact CG1-CD 4.39Å; V1477-K1480 WeakPolarHBondContact O-CB 3.34Å; V1477-K1480 PolarHBondContact O-N 3.01Å; K1480-Y1485 HydrophobicContact CB-CE1 4.13Å; K1480-Y1485 WeakPolarHBondContact O-CE1 3.36Å
1481L85.5Confident83.7Confident90 Ų9056.4 Ų56.447%0.47130%0.3SS..BIsolated β-bridgetrans-65.4136.4177.8-64173.1000111.7H1440 T1442 K1483 T1484H1440-L1481 WeakPolarHBondContact O-CD2 3.16Å; T1442-L1481 HydrophobicContact CG2-CD2 4.43Å; L1481-K1483 PolarHBondContact O-N 3.23Å; L1481-T1484 WeakPolarHBondContact O-CB 3.44Å; L1481-T1484 PolarHBondContact O-N 2.76Å; L1481-T1484 PolarHBondContact O-OG1 2.64Å
1482V85Confident83.9Confident1 Ų152.1 Ų52.11%0.00628%0.284CS..G310 helixtrans-57.8-25.6-178.4170.80000112.8L1437 L1441 T1484 Y1485 K1490 L1493L1437-V1482 HydrophobicContact CB-CG1 4.18Å; L1437-V1482 HydrophobicContact CD1-CG1 4.37Å; L1441-V1482 WeakPolarHBondContact O-CG2 3.2Å; L1441-V1482 PolarHBondContact O-N 2.8Å; V1482-T1484 PolarHBondContact O-N 2.9Å; V1482-Y1485 HydrophobicContact CG2-CD2 4.47Å; V1482-Y1485 HydrophobicContact CG2-CE2 4.23Å; V1482-Y1485 WeakPolarHBondContact O-CB 3.43Å; V1482-Y1485 PolarHBondContact O-N 2.88Å; V1482-Y1485 VanDerWaalsContact O-N 3.11Å; V1482-K1490 HydrophobicContact CG1-CG 4.3Å; V1482-K1490 WeakPolarHBondContact O-CE 3.11Å; V1482-L1493 HydrophobicContact CG2-CD2 3.45Å; V1482-L1493 VanDerWaalsContact CG2-CD2 3.45Å
1483K79.7Confident84.1Confident156 Ų15652 Ų5268%0.67828%0.284SS*.G310 helixtrans-49.9-39.8168.9-166.1174.8-179.9179.90113.3V1439 L1481 Y1485V1439-K1483 HydrophobicContact CG1-CB 3.56Å; V1439-K1483 HydrophobicContact CG1-CD 4.32Å; V1439-K1483 HydrophobicContact CG1-CG 3.8Å; V1439-K1483 PolarHBondContact O-N 2.82Å; L1481-K1483 PolarHBondContact O-N 3.23Å; K1483-Y1485 VanDerWaalsContact C-N 3.33Å; K1483-Y1485 PolarHBondContact O-N 2.93Å
1484T79.4Confident84.4Confident99 Ų9951 Ų5161%0.60727%0.273SS*.G310 helixtrans-81.4-7.1-175.966.90000114.2L1481 V1482L1481-T1484 WeakPolarHBondContact O-CB 3.44Å; L1481-T1484 PolarHBondContact O-N 2.76Å; L1481-T1484 PolarHBondContact O-OG1 2.64Å; V1482-T1484 PolarHBondContact O-N 2.9Å
1485Y80.1Confident84.5Confident9 Ų951 Ų514%0.03527%0.273CS..  trans-75.9141.2-177.7-72.623.1000110.9A1443 V1477 K1480 V1482 K1483 F1489 K1490 L1493A1443-Y1485 HydrophobicContact CB-CE2 4.23Å; A1443-Y1485 WeakPolarHBondContact CB-OH 3.22Å; V1477-Y1485 HydrophobicContact CB-CD1 4.35Å; V1477-Y1485 HydrophobicContact CB-CE1 3.75Å; V1477-Y1485 HydrophobicContact CG2-CE1 4.08Å; V1477-Y1485 HydrophobicContact CG2-CE2 3.98Å; V1477-Y1485 WeakPolarHBondContact O-CE1 3.3Å; V1477-Y1485 PolarHBondContact O-OH 3.47Å; K1480-Y1485 HydrophobicContact CB-CE1 4.13Å; K1480-Y1485 WeakPolarHBondContact O-CE1 3.36Å; V1482-Y1485 HydrophobicContact CG2-CD2 4.47Å; V1482-Y1485 HydrophobicContact CG2-CE2 4.23Å; V1482-Y1485 WeakPolarHBondContact O-CB 3.43Å; V1482-Y1485 PolarHBondContact O-N 2.88Å; V1482-Y1485 VanDerWaalsContact O-N 3.11Å; K1483-Y1485 VanDerWaalsContact C-N 3.33Å; K1483-Y1485 PolarHBondContact O-N 2.93Å; Y1485-F1489 HydrophobicContact CD2-CB 3.83Å; Y1485-F1489 HydrophobicContact CG-CB 4.07Å; Y1485-K1490 VanDerWaalsContact O-CE 3.27Å; Y1485-K1490 WeakPolarHBondContact O-CE 3.31Å; Y1485-K1490 PolarHBondContact O-NZ 3.15Å; Y1485-L1493 HydrophobicContact CE2-CD2 3.96Å
1486S76.8Confident84.8Confident67 Ų6746.8 Ų46.847%0.46925%0.247SC..  trans-64.5163.7165.168.40000110.9G1488 F1489 K1490S1486-G1488 VanDerWaalsContact C-N 3.32Å; S1486-G1488 PolarHBondContact O-N 3.07Å; S1486-F1489 PolarHBondContact O-N 2.84Å; S1486-F1489 VanDerWaalsContact O-N 3.12Å; S1486-F1489 WeakPolarHBondContact OG-CD2 3.43Å; S1486-F1489 PolarHBondContact OG-N 2.87Å; S1486-K1490 PolarHBondContact O-N 3.19Å
1487G74.8Confident85.2Confident43 Ų4340.6 Ų40.644%0.44322%0.219SC..Hα-helixtrans-51.8-49.9175.900000112.2F1489 K1490 R1491G1487-F1489 VanDerWaalsContact C-N 3.33Å; G1487-F1489 PolarHBondContact O-N 3.15Å; G1487-K1490 WeakPolarHBondContact O-CB 3.49Å; G1487-K1490 PolarHBondContact O-N 2.78Å; G1487-K1490 VanDerWaalsContact O-N 3.08Å; G1487-R1491 PolarHBondContact O-N 3.28Å
1488G78.1Confident85.3Confident5 Ų540 Ų405%0.05222%0.216CC..Hα-helixtrans-58.8-36.7177.300000114.6S1486 R1492 G1514S1486-G1488 VanDerWaalsContact C-N 3.32Å; S1486-G1488 PolarHBondContact O-N 3.07Å; G1488-R1492 VanDerWaalsContact O-CG 3.27Å; G1488-R1492 WeakPolarHBondContact O-CG 3.46Å; G1488-R1492 PolarHBondContact O-N 3.04Å; G1488-G1514 WeakPolarHBondContact CA-O 3.47Å; G1488-G1514 PolarHBondContact N-O 3.42Å
1489F87.1Confident85.5Confident43 Ų4340 Ų4019%0.18922%0.215CC..Hα-helixtrans-72.5-34.2174.5-82.2-59.3000112.8L1474 V1477 Y1485 S1486 G1487 L1493L1474-F1489 HydrophobicContact CD2-CD1 3.92Å; V1477-F1489 HydrophobicContact CG1-CD2 4.45Å; V1477-F1489 HydrophobicContact CG1-CE1 4.5Å; V1477-F1489 HydrophobicContact CG1-CE2 4.25Å; V1477-F1489 HydrophobicContact CG1-CZ 4.27Å; V1477-F1489 HydrophobicContact CG2-CD1 3.94Å; V1477-F1489 HydrophobicContact CG2-CE1 4.13Å; V1477-F1489 HydrophobicContact CG2-CG 4.37Å; Y1485-F1489 HydrophobicContact CD2-CB 3.83Å; Y1485-F1489 HydrophobicContact CG-CB 4.07Å; S1486-F1489 PolarHBondContact O-N 2.84Å; S1486-F1489 VanDerWaalsContact O-N 3.12Å; S1486-F1489 WeakPolarHBondContact OG-CD2 3.43Å; S1486-F1489 PolarHBondContact OG-N 2.87Å; G1487-F1489 VanDerWaalsContact C-N 3.33Å; G1487-F1489 PolarHBondContact O-N 3.15Å; F1489-L1493 PolarHBondContact O-N 3.25Å
1490K87.8Confident85.5Confident55 Ų5535.2 Ų35.224%0.23919%0.189CC..Hα-helixtrans-65.7-44.9172.2-69.4170.3172.4140.40110.9D1435 L1437 V1482 Y1485 S1486 G1487 R1492 L1493 S1494D1435-K1490 HydrophobicContact CB-CB 4.18Å; D1435-K1490 WeakPolarHBondContact OD2-CB 3.23Å; L1437-K1490 HydrophobicContact CD1-CB 4.22Å; L1437-K1490 WeakPolarHBondContact CD1-O 3.47Å; V1482-K1490 HydrophobicContact CG1-CG 4.3Å; V1482-K1490 WeakPolarHBondContact O-CE 3.11Å; Y1485-K1490 VanDerWaalsContact O-CE 3.27Å; Y1485-K1490 WeakPolarHBondContact O-CE 3.31Å; Y1485-K1490 PolarHBondContact O-NZ 3.15Å; S1486-K1490 PolarHBondContact O-N 3.19Å; G1487-K1490 WeakPolarHBondContact O-CB 3.49Å; G1487-K1490 PolarHBondContact O-N 2.78Å; G1487-K1490 VanDerWaalsContact O-N 3.08Å; K1490-R1492 PolarHBondContact O-N 3.07Å; K1490-L1493 CarbonylContact O-C 3.55Å; K1490-L1493 PolarHBondContact O-N 3.17Å; K1490-S1494 PolarHBondContact O-N 3.45Å
1491R87.1Confident85.1Confident6 Ų632.2 Ų32.22%0.02319%0.188CC..Hα-helixtrans-56.8-47.3174.9-152.480.8-162.31161.1112.2P1432 D1435 G1487 L1493 S1494 A1495 D1509 E1510 P1511 A1513 M1515P1432-R1491 VanDerWaalsContact O-CZ 3.31Å; P1432-R1491 PolarHBondContact O-NH1 3.44Å; P1432-R1491 PolarHBondContact O-NH2 2.98Å; D1435-R1491 WeakPolarHBondContact OD1-CA 3.35Å; D1435-R1491 WeakPolarHBondContact OD1-CD 3.45Å; D1435-R1491 IonicContact OD1-CZ 2.98Å; D1435-R1491 IonicContact OD1-NH1 2.62Å; D1435-R1491 PolarHBondContact OD1-NH1 3.42Å; G1487-R1491 PolarHBondContact O-N 3.28Å; R1491-L1493 VanDerWaalsContact C-N 3.35Å; R1491-L1493 PolarHBondContact O-N 2.84Å; R1491-S1494 PolarHBondContact O-N 2.86Å; R1491-A1495 PolarHBondContact O-N 3.48Å; R1491-D1509 PolarHBondContact NH2-O 3.27Å; R1491-E1510 PolarHBondContact NE-O 3.11Å; R1491-E1510 VanDerWaalsContact NE-O 3.12Å; R1491-E1510 PolarHBondContact NH2-O 3.49Å; R1491-P1511 WeakPolarHBondContact CG-O 3.43Å; R1491-A1513 WeakPolarHBondContact CD-O 3.44Å; R1491-A1513 WeakPolarHBondContact CG-O 3.46Å; R1491-M1515 HydrophobicContact CB-CG 3.75Å; R1491-M1515 HydrophobicContact CB-SD 3.8Å; R1491-M1515 HydrophobicContact CG-CG 3.97Å; R1491-M1515 HydrophobicContact CG-SD 3.73Å
1492R89.6Confident84.9Confident24 Ų2432.7 Ų32.79%0.09119%0.191CC..Hα-helixtrans-58.8-40.1173.1-70.4176.9-152.4-170.76.8112.7L1474 G1488 K1490 A1496 M1515 D1516L1474-R1492 HydrophobicContact CD2-CB 3.83Å; G1488-R1492 VanDerWaalsContact O-CG 3.27Å; G1488-R1492 WeakPolarHBondContact O-CG 3.46Å; G1488-R1492 PolarHBondContact O-N 3.04Å; K1490-R1492 PolarHBondContact O-N 3.07Å; R1492-A1496 WeakPolarHBondContact O-CB 3.39Å; R1492-A1496 PolarHBondContact O-N 2.82Å; R1492-M1515 HydrophobicContact CG-CE 3.59Å; R1492-M1515 HydrophobicContact CG-SD 4.35Å; R1492-D1516 IonicContact CZ-OD1 3.73Å; R1492-D1516 VanDerWaalsContact NH2-CG 3.33Å; R1492-D1516 IonicContact NH2-OD1 3.52Å; R1492-D1516 PolarHBondContact NH2-OD1 3Å; R1492-D1516 IonicContact NH2-OD2 2.69Å; R1492-D1516 PolarHBondContact NH2-OD2 3.41Å; R1492-D1516 VanDerWaalsContact NH2-OD2 3.13Å
1493L91.4Very high84.8Confident0 Ų033.1 Ų33.10%019%0.194CC..Hα-helixtrans-71.5-34.8176.3-179.658.6000112.7L1437 A1443 L1447 L1474 V1482 Y1485 F1489 K1490 R1491 A1496 V1497L1437-L1493 HydrophobicContact CD1-CB 3.9Å; L1437-L1493 HydrophobicContact CD1-CD2 3.97Å; L1437-L1493 HydrophobicContact CD1-CG 3.9Å; L1437-L1493 HydrophobicContact CD2-CD2 4.31Å; L1437-L1493 HydrophobicContact CD2-CG 3.94Å; A1443-L1493 HydrophobicContact CB-CD1 3.75Å; A1443-L1493 HydrophobicContact CB-CD2 3.85Å; A1443-L1493 HydrophobicContact CB-CG 4.43Å; L1447-L1493 HydrophobicContact CD1-CD1 4.18Å; L1447-L1493 HydrophobicContact CD2-CD1 3.89Å; L1447-L1493 HydrophobicContact CG-CD1 3.89Å; L1474-L1493 HydrophobicContact CD1-CB 4.18Å; L1474-L1493 HydrophobicContact CD1-CD1 4.04Å; V1482-L1493 HydrophobicContact CG2-CD2 3.45Å; V1482-L1493 VanDerWaalsContact CG2-CD2 3.45Å; Y1485-L1493 HydrophobicContact CE2-CD2 3.96Å; F1489-L1493 PolarHBondContact O-N 3.25Å; K1490-L1493 CarbonylContact O-C 3.55Å; K1490-L1493 PolarHBondContact O-N 3.17Å; R1491-L1493 VanDerWaalsContact C-N 3.35Å; R1491-L1493 PolarHBondContact O-N 2.84Å; L1493-A1496 HydrophobicContact CD1-CB 4.36Å; L1493-A1496 WeakPolarHBondContact O-CB 3.48Å; L1493-A1496 PolarHBondContact O-N 3.27Å; L1493-V1497 WeakPolarHBondContact O-CG2 3.11Å; L1493-V1497 PolarHBondContact O-N 2.89Å
1494S91.2Very high85Confident5 Ų527.6 Ų27.64%0.03518%0.175CC..Hα-helixtrans-64.1-43.9172.7-169.50000110.9C1431 K1490 R1491 A1496 V1497 S1498C1431-S1494 PolarHBondContact SG-OG 2.98Å; K1490-S1494 PolarHBondContact O-N 3.45Å; R1491-S1494 PolarHBondContact O-N 2.86Å; S1494-A1496 VanDerWaalsContact C-N 3.35Å; S1494-A1496 PolarHBondContact O-N 2.82Å; S1494-V1497 PolarHBondContact O-N 2.69Å; S1494-S1498 PolarHBondContact O-N 3.37Å
1495A89.6Confident85.5Confident0 Ų023 Ų230%015%0.147CC..Hα-helixtrans-58.8-45169.900000111.4L1472 R1491 V1497 S1498 L1499 F1508 L1523L1472-A1495 HydrophobicContact CD1-CB 4.42Å; R1491-A1495 PolarHBondContact O-N 3.48Å; A1495-V1497 PolarHBondContact O-N 3.34Å; A1495-S1498 WeakPolarHBondContact O-CB 3.06Å; A1495-S1498 PolarHBondContact O-N 2.96Å; A1495-S1498 PolarHBondContact O-OG 2.88Å; A1495-L1499 WeakPolarHBondContact O-CG 3.49Å; A1495-L1499 PolarHBondContact O-N 2.79Å; A1495-F1508 HydrophobicContact CB-CE1 4.19Å; A1495-L1523 HydrophobicContact CB-CD1 3.94Å
1496A90.6Very high86Confident0 Ų022.7 Ų22.70%015%0.146CC..Hα-helixtrans-57.6-43.5178.100000112.9L1447 L1472 L1474 R1492 L1493 S1494 S1498 L1499 I1500L1447-A1496 HydrophobicContact CD1-CB 4.48Å; L1447-A1496 HydrophobicContact CD2-CB 3.69Å; L1472-A1496 HydrophobicContact CD1-CB 3.45Å; L1472-A1496 VanDerWaalsContact CD1-CB 3.45Å; L1474-A1496 HydrophobicContact CD1-CB 4.26Å; R1492-A1496 WeakPolarHBondContact O-CB 3.39Å; R1492-A1496 PolarHBondContact O-N 2.82Å; L1493-A1496 HydrophobicContact CD1-CB 4.36Å; L1493-A1496 WeakPolarHBondContact O-CB 3.48Å; L1493-A1496 PolarHBondContact O-N 3.27Å; S1494-A1496 VanDerWaalsContact C-N 3.35Å; S1494-A1496 PolarHBondContact O-N 2.82Å; A1496-S1498 VanDerWaalsContact C-N 3.29Å; A1496-S1498 PolarHBondContact O-N 2.86Å; A1496-L1499 PolarHBondContact O-N 2.83Å; A1496-I1500 PolarHBondContact O-N 2.83Å
1497V91.1Very high86.7Confident21 Ų2119.5 Ų19.513%0.12712%0.124CC..Hα-helixtrans-60.8-37.3175.7169.20000112.1L1437 T1446 L1447 Y1450 L1493 S1494 A1495 L1499L1437-V1497 HydrophobicContact CD2-CG2 4.1Å; T1446-V1497 HydrophobicContact CG2-CG2 4.06Å; L1447-V1497 HydrophobicContact CD2-CG2 3.97Å; Y1450-V1497 HydrophobicContact CD1-CG1 3.84Å; Y1450-V1497 HydrophobicContact CD2-CB 4.27Å; Y1450-V1497 HydrophobicContact CD2-CG1 3.61Å; Y1450-V1497 HydrophobicContact CD2-CG2 3.59Å; Y1450-V1497 HydrophobicContact CE1-CG1 4.09Å; Y1450-V1497 HydrophobicContact CE2-CG1 3.89Å; Y1450-V1497 HydrophobicContact CE2-CG2 3.97Å; Y1450-V1497 HydrophobicContact CG-CG1 3.6Å; Y1450-V1497 HydrophobicContact CG-CG2 4.28Å; L1493-V1497 WeakPolarHBondContact O-CG2 3.11Å; L1493-V1497 PolarHBondContact O-N 2.89Å; S1494-V1497 PolarHBondContact O-N 2.69Å; A1495-V1497 PolarHBondContact O-N 3.34Å; V1497-L1499 PolarHBondContact O-N 2.9Å
1498S89.1Confident87.5Confident1 Ų117.5 Ų17.51%0.00710%0.103CC..Hα-helixtrans-66.6-24.7178.5780000113.9G1429 Y1430 S1494 A1495 A1496 P1503 F1508G1429-S1498 VanDerWaalsContact CA-O 3.22Å; G1429-S1498 WeakPolarHBondContact CA-O 3.44Å; Y1430-S1498 VanDerWaalsContact C-CB 3.45Å; Y1430-S1498 VanDerWaalsContact O-CB 3.3Å; Y1430-S1498 WeakPolarHBondContact O-CB 3.37Å; S1494-S1498 PolarHBondContact O-N 3.37Å; A1495-S1498 WeakPolarHBondContact O-CB 3.06Å; A1495-S1498 PolarHBondContact O-N 2.96Å; A1495-S1498 PolarHBondContact O-OG 2.88Å; A1496-S1498 VanDerWaalsContact C-N 3.29Å; A1496-S1498 PolarHBondContact O-N 2.86Å; S1498-P1503 WeakPolarHBondContact O-CG 3.48Å; S1498-F1508 WeakPolarHBondContact OG-CE1 3.38Å
1499L88.6Confident88Confident7 Ų717.3 Ų17.34%0.03710%0.1CC..THydrogen-bonded Turntrans-96.5-4.3-175.1-63.2-178.8000114.7L1472 A1495 A1496 V1497 G1501 D1502 I1506 F1508 T1526 I1530L1472-L1499 HydrophobicContact CD1-CD1 4.22Å; A1495-L1499 WeakPolarHBondContact O-CG 3.49Å; A1495-L1499 PolarHBondContact O-N 2.79Å; A1496-L1499 PolarHBondContact O-N 2.83Å; V1497-L1499 PolarHBondContact O-N 2.9Å; L1499-G1501 PolarHBondContact O-N 2.8Å; L1499-D1502 PolarHBondContact O-N 3.31Å; L1499-I1506 HydrophobicContact CD2-CD1 3.63Å; L1499-I1506 HydrophobicContact CD2-CG1 4.29Å; L1499-I1506 HydrophobicContact CD2-CG2 4.34Å; L1499-F1508 HydrophobicContact CD2-CZ 4.02Å; L1499-F1508 HydrophobicContact CG-CZ 4.48Å; L1499-T1526 HydrophobicContact CD1-CG2 4.11Å; L1499-I1530 HydrophobicContact CD1-CD1 3.58Å; L1499-I1530 HydrophobicContact CD2-CD1 3.63Å; L1499-I1530 HydrophobicContact CG-CD1 4.21Å
1500I87.6Confident87.9Confident2 Ų216.5 Ų16.51%0.0110%0.097CC..THydrogen-bonded Turntrans-63.8123.1179.5-66.7169.7000110.5L1447 A1451 R1454 I1456 A1496L1447-I1500 HydrophobicContact CB-CD1 4.27Å; L1447-I1500 HydrophobicContact CD2-CD1 3.75Å; L1447-I1500 HydrophobicContact CD2-CG1 4.26Å; A1451-I1500 HydrophobicContact CB-CG2 3.81Å; R1454-I1500 HydrophobicContact CB-CG2 4.16Å; R1454-I1500 HydrophobicContact CG-CB 4.42Å; R1454-I1500 HydrophobicContact CG-CG2 3.95Å; R1454-I1500 PolarHBondContact NE-O 3.42Å; I1456-I1500 HydrophobicContact CD1-CG2 3.68Å; A1496-I1500 PolarHBondContact O-N 2.83Å
1501G77.2Confident87.7Confident42 Ų4213.9 Ų13.943%0.4339%0.086SC..THydrogen-bonded Turntrans87.916.5-179.100000114.2L1499L1499-G1501 PolarHBondContact O-N 2.8Å
1502D80.7Confident87.5Confident101 Ų10113.9 Ų13.954%0.549%0.087SC..  trans41.857.8179-60.5-74.4000113R1471 L1499R1471-D1502 IonicContact CZ-OD1 2.7Å; R1471-D1502 IonicContact NH1-OD1 3.43Å; R1471-D1502 PolarHBondContact NH1-OD1 2.71Å; R1471-D1502 IonicContact NH2-OD1 3.83Å; L1499-D1502 PolarHBondContact O-N 3.31Å
1503P84Confident86.7Confident10 Ų1014.1 Ų14.17%0.0659%0.093CC..  trans-64.6142.4-172.224.7-33.2000113.3P1427 S1498 L1505 I1506P1427-P1503 VanDerWaalsContact O-CB 3.27Å; P1427-P1503 WeakPolarHBondContact O-CB 3.42Å; S1498-P1503 WeakPolarHBondContact O-CG 3.48Å; P1503-L1505 VanDerWaalsContact C-N 3.33Å; P1503-L1505 PolarHBondContact O-N 3.45Å; P1503-I1506 HydrophobicContact CG-CD1 4.47Å; P1503-I1506 HydrophobicContact CG-CG1 3.91Å
1504S83.3Confident85.6Confident39 Ų3917 Ų1727%0.27312%0.123SC..SBendtrans-77.3-14-171.159.50000115.1M1349 P1427 A1536M1349-S1504 WeakPolarHBondContact CE-OG 3.4Å; P1427-S1504 PolarHBondContact O-N 3.44Å; S1504-A1536 PolarHBondContact O-N 2.88Å
1505L88.6Confident84.9Confident4 Ų417.2 Ų17.22%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-130.9123.4167.9175.963000109.2L1350 L1414 I1428 G1429 P1503 L1507 A1536L1350-L1505 HydrophobicContact CB-CD1 4.27Å; L1350-L1505 HydrophobicContact CB-CD2 3.97Å; L1350-L1505 HydrophobicContact CD1-CD2 4.25Å; L1350-L1505 HydrophobicContact CD2-CD1 4.46Å; L1350-L1505 HydrophobicContact CD2-CD2 4.3Å; L1350-L1505 HydrophobicContact CG-CD2 4.4Å; L1414-L1505 HydrophobicContact CD2-CD2 3.66Å; I1428-L1505 CarbonylContact C-O 3.56Å; I1428-L1505 VanDerWaalsContact CA-O 3.32Å; I1428-L1505 WeakPolarHBondContact CA-O 3.43Å; I1428-L1505 HydrophobicContact CD1-CD2 4.39Å; I1428-L1505 HydrophobicContact CG1-CD2 4.23Å; G1429-L1505 PolarHBondContact N-O 3.35Å; P1503-L1505 VanDerWaalsContact C-N 3.33Å; P1503-L1505 PolarHBondContact O-N 3.45Å; L1505-L1507 HydrophobicContact CD1-CD2 4.45Å; L1505-L1507 HydrophobicContact CG-CD2 4.39Å; L1505-A1536 CarbonylContact C-O 3.55Å; L1505-A1536 WeakPolarHBondContact CA-O 3.48Å; L1505-A1536 HydrophobicContact CD1-CB 3.92Å
1506I91.5Very high84Confident2 Ų220.4 Ų20.41%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-118.5134.8-179.2-63.5155.6000110.4L1499 P1503 F1508 I1530 A1535 A1536 V1537 L1538L1499-I1506 HydrophobicContact CD2-CD1 3.63Å; L1499-I1506 HydrophobicContact CD2-CG1 4.29Å; L1499-I1506 HydrophobicContact CD2-CG2 4.34Å; P1503-I1506 HydrophobicContact CG-CD1 4.47Å; P1503-I1506 HydrophobicContact CG-CG1 3.91Å; I1506-F1508 HydrophobicContact CG2-CD2 3.68Å; I1506-F1508 HydrophobicContact CG2-CE1 4.31Å; I1506-F1508 HydrophobicContact CG2-CE2 3.34Å; I1506-F1508 HydrophobicContact CG2-CG 4.3Å; I1506-F1508 HydrophobicContact CG2-CZ 3.69Å; I1506-I1530 HydrophobicContact CD1-CG2 3.53Å; I1506-A1535 HydrophobicContact CD1-CB 4.35Å; I1506-A1536 PolarHBondContact N-O 2.71Å; I1506-V1537 HydrophobicContact CB-CG2 4.43Å; I1506-V1537 WeakPolarHBondContact O-CA 3.49Å; I1506-L1538 PolarHBondContact O-N 2.86Å
1507L92.4Very high83.1Confident0 Ų022.8 Ų22.80%016%0.155CC..EExtended strand (participates in β ladder)trans-116.3111.7-179.3-56-176.9000109.4F1398 I1401 T1402 I1428 G1429 Y1430 C1431 L1505 L1538F1398-L1507 HydrophobicContact CD2-CB 3.91Å; F1398-L1507 HydrophobicContact CE2-CB 3.74Å; F1398-L1507 HydrophobicContact CE2-CD2 4.47Å; I1401-L1507 HydrophobicContact CB-CD1 4.41Å; I1401-L1507 HydrophobicContact CG2-CD1 3.88Å; T1402-L1507 HydrophobicContact CG2-CD1 3.73Å; I1428-L1507 HydrophobicContact CG2-CD1 3.63Å; I1428-L1507 HydrophobicContact CG2-CG 3.84Å; G1429-L1507 WeakPolarHBondContact O-CB 3.37Å; G1429-L1507 PolarHBondContact O-N 3.26Å; Y1430-L1507 CarbonylContact C-O 3.53Å; Y1430-L1507 WeakPolarHBondContact CA-O 3.47Å; Y1430-L1507 HydrophobicContact CD2-CB 3.79Å; Y1430-L1507 WeakPolarHBondContact CD2-O 3.44Å; C1431-L1507 PolarHBondContact N-O 2.85Å; L1505-L1507 HydrophobicContact CD1-CD2 4.45Å; L1505-L1507 HydrophobicContact CG-CD2 4.39Å; L1507-L1538 WeakPolarHBondContact CA-O 3.5Å; L1507-L1538 HydrophobicContact CD2-CB 3.78Å; L1507-L1538 HydrophobicContact CD2-CD2 3.99Å; L1507-L1538 HydrophobicContact CD2-CG 4.44Å
1508F91.5Very high82.2Confident1 Ų130.1 Ų30.10%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-110.5115.7175.3-73.8-67.1000111.8C1431 A1495 S1498 L1499 I1506 P1511 I1527 V1537 L1538 F1539 T1540C1431-F1508 HydrophobicContact CB-CD1 3.61Å; C1431-F1508 HydrophobicContact CB-CE1 4.1Å; A1495-F1508 HydrophobicContact CB-CE1 4.19Å; S1498-F1508 WeakPolarHBondContact OG-CE1 3.38Å; L1499-F1508 HydrophobicContact CD2-CZ 4.02Å; L1499-F1508 HydrophobicContact CG-CZ 4.48Å; I1506-F1508 HydrophobicContact CG2-CD2 3.68Å; I1506-F1508 HydrophobicContact CG2-CE1 4.31Å; I1506-F1508 HydrophobicContact CG2-CE2 3.34Å; I1506-F1508 HydrophobicContact CG2-CG 4.3Å; I1506-F1508 HydrophobicContact CG2-CZ 3.69Å; F1508-P1511 HydrophobicContact CB-CB 3.88Å; F1508-P1511 HydrophobicContact CB-CG 3.78Å; F1508-P1511 HydrophobicContact CD1-CB 3.78Å; F1508-P1511 HydrophobicContact CG-CB 4.01Å; F1508-P1511 HydrophobicContact CG-CG 4.25Å; F1508-I1527 HydrophobicContact CD2-CD1 4.3Å; F1508-I1527 HydrophobicContact CE2-CD1 4.09Å; F1508-I1527 HydrophobicContact CE2-CG1 3.85Å; F1508-I1527 HydrophobicContact CZ-CG1 4.26Å; F1508-V1537 HydrophobicContact CD2-CG1 3.95Å; F1508-V1537 HydrophobicContact CE2-CG1 4.34Å; F1508-L1538 PolarHBondContact N-O 3.44Å; F1508-F1539 HydrophobicContact CB-CB 3.72Å; F1508-F1539 CarbonylContact O-C 3.52Å; F1508-F1539 WeakPolarHBondContact O-CA 3.16Å; F1508-F1539 WeakPolarHBondContact O-CB 3.47Å; F1508-T1540 PolarHBondContact O-N 2.73Å
1509D88.9Confident81.6Confident1 Ų130.1 Ų30.11%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-101105.1175.3-160.826.6000109.7T1395 F1398 Y1430 C1431 Q1433 R1491 T1540T1395-D1509 WeakPolarHBondContact CB-OD2 3.34Å; T1395-D1509 WeakPolarHBondContact CG2-OD2 3.44Å; T1395-D1509 PolarHBondContact OG1-OD1 3.29Å; T1395-D1509 PolarHBondContact OG1-OD2 3.09Å; F1398-D1509 HydrophobicContact CD2-CB 4.23Å; Y1430-D1509 HydrophobicContact CE2-CB 4.22Å; C1431-D1509 PolarHBondContact O-N 2.91Å; Q1433-D1509 WeakPolarHBondContact CA-O 3.26Å; R1491-D1509 PolarHBondContact NH2-O 3.27Å; D1509-T1540 WeakPolarHBondContact CA-OG1 3.4Å; D1509-T1540 WeakPolarHBondContact OD1-CB 3.38Å; D1509-T1540 VanDerWaalsContact OD1-CG2 3.23Å; D1509-T1540 WeakPolarHBondContact OD1-CG2 3.34Å; D1509-T1540 PolarHBondContact OD1-OG1 3.35Å
1510E83.6Confident81.2Confident25 Ų2532 Ų3212%0.11719%0.193CC..SBendtrans45.763.2-171.3-58.2-166.3135.900114.2Q1433 R1491 T1512 A1513 T1540 N1542Q1433-E1510 HydrophobicContact CG-CB 4.44Å; Q1433-E1510 PolarHBondContact NE2-OE2 3.27Å; R1491-E1510 PolarHBondContact NE-O 3.11Å; R1491-E1510 VanDerWaalsContact NE-O 3.12Å; R1491-E1510 PolarHBondContact NH2-O 3.49Å; E1510-T1512 PolarHBondContact O-N 3.47Å; E1510-A1513 HydrophobicContact CB-CB 4.44Å; E1510-A1513 PolarHBondContact O-N 2.89Å; E1510-T1540 WeakPolarHBondContact CA-O 3.45Å; E1510-T1540 PolarHBondContact N-O 2.89Å; E1510-T1540 PolarHBondContact N-OG1 3.5Å; E1510-N1542 VanDerWaalsContact OE1-CG 3.27Å; E1510-N1542 PolarHBondContact OE1-ND2 3.01Å
1511P84Confident80.9Confident1 Ų135.6 Ų35.61%0.00621%0.207CC..THydrogen-bonded Turntrans-68-18.1-170.127.7-35.6000114.9R1491 F1508 M1515 L1523 T1540R1491-P1511 WeakPolarHBondContact CG-O 3.43Å; F1508-P1511 HydrophobicContact CB-CB 3.88Å; F1508-P1511 HydrophobicContact CB-CG 3.78Å; F1508-P1511 HydrophobicContact CD1-CB 3.78Å; F1508-P1511 HydrophobicContact CG-CB 4.01Å; F1508-P1511 HydrophobicContact CG-CG 4.25Å; P1511-M1515 VanDerWaalsContact O-SD 3.4Å; P1511-L1523 HydrophobicContact CB-CD2 4.13Å; P1511-L1523 WeakPolarHBondContact O-CD2 3.48Å; P1511-T1540 WeakPolarHBondContact CD-O 3.46Å
1512T82.8Confident81.3Confident6 Ų636.2 Ų36.24%0.03720%0.2CC..THydrogen-bonded Turntrans-101.6-5.3-171.446.70000113.9E1510 G1514 M1515 K1520 E1546E1510-T1512 PolarHBondContact O-N 3.47Å; T1512-G1514 PolarHBondContact O-N 3.48Å; T1512-M1515 WeakPolarHBondContact O-CB 3.34Å; T1512-M1515 PolarHBondContact O-N 2.78Å; T1512-K1520 HydrophobicContact CG2-CG 4.44Å; T1512-E1546 WeakPolarHBondContact CB-OE2 3.22Å; T1512-E1546 HydrophobicContact CG2-CG 4.27Å; T1512-E1546 PolarHBondContact OG1-OE1 2.84Å; T1512-E1546 PolarHBondContact OG1-OE2 3.13Å
1513A73.5Confident81.7Confident28 Ų2831.4 Ų31.423%0.23117%0.174CC..THydrogen-bonded Turntrans-60.7133.4-17600000111.6R1491 E1510 M1515R1491-A1513 WeakPolarHBondContact CD-O 3.44Å; R1491-A1513 WeakPolarHBondContact CG-O 3.46Å; E1510-A1513 HydrophobicContact CB-CB 4.44Å; E1510-A1513 PolarHBondContact O-N 2.89Å; A1513-M1515 PolarHBondContact O-N 2.85Å
1514G67.2Low81.8Confident60 Ų6032.2 Ų32.262%0.61918%0.176SC*.THydrogen-bonded Turntrans66.513.8-179.100000115.6G1488 T1512G1488-G1514 WeakPolarHBondContact CA-O 3.47Å; G1488-G1514 PolarHBondContact N-O 3.42Å; T1512-G1514 PolarHBondContact O-N 3.48Å
1515M76.8Confident82.1Confident11 Ų1134.9 Ų34.95%0.05419%0.187CC..  trans-96.2139.5175.7-65.8179.755.100112.2R1491 R1492 P1511 T1512 A1513 G1519 K1520 L1523R1491-M1515 HydrophobicContact CB-CG 3.75Å; R1491-M1515 HydrophobicContact CB-SD 3.8Å; R1491-M1515 HydrophobicContact CG-CG 3.97Å; R1491-M1515 HydrophobicContact CG-SD 3.73Å; R1492-M1515 HydrophobicContact CG-CE 3.59Å; R1492-M1515 HydrophobicContact CG-SD 4.35Å; P1511-M1515 VanDerWaalsContact O-SD 3.4Å; T1512-M1515 WeakPolarHBondContact O-CB 3.34Å; T1512-M1515 PolarHBondContact O-N 2.78Å; A1513-M1515 PolarHBondContact O-N 2.85Å; M1515-G1519 WeakPolarHBondContact CE-O 3.18Å; M1515-K1520 HydrophobicContact CB-CG 3.95Å; M1515-L1523 HydrophobicContact CE-CB 3.89Å; M1515-L1523 HydrophobicContact CE-CD2 3.87Å; M1515-L1523 HydrophobicContact SD-CD2 3.71Å
1516D70.5Confident82Confident66 Ų6635.1 Ų35.135%0.35319%0.189SC..  trans-63.1155.3170.859.5-61000112R1492 K1518 G1519 K1520R1492-D1516 IonicContact CZ-OD1 3.73Å; R1492-D1516 VanDerWaalsContact NH2-CG 3.33Å; R1492-D1516 IonicContact NH2-OD1 3.52Å; R1492-D1516 PolarHBondContact NH2-OD1 3Å; R1492-D1516 IonicContact NH2-OD2 2.69Å; R1492-D1516 PolarHBondContact NH2-OD2 3.41Å; R1492-D1516 VanDerWaalsContact NH2-OD2 3.13Å; D1516-K1518 VanDerWaalsContact C-N 3.27Å; D1516-K1518 PolarHBondContact O-N 3.33Å; D1516-K1518 WeakPolarHBondContact OD2-CB 3.21Å; D1516-G1519 CarbonylContact O-C 3.57Å; D1516-G1519 WeakPolarHBondContact O-CA 3.16Å; D1516-G1519 PolarHBondContact O-N 3Å; D1516-G1519 PolarHBondContact OD2-N 2.83Å; D1516-K1520 PolarHBondContact O-N 2.94Å
1517V71.5Confident81.9Confident50 Ų5035.1 Ų35.130%0.30319%0.189SC..Hα-helixtrans-54.2-41.9-178.2-178.40000112.2K1520 R1521V1517-K1520 PolarHBondContact O-N 3.32Å; V1517-R1521 WeakPolarHBondContact O-CG 3.16Å; V1517-R1521 PolarHBondContact O-N 2.94Å
1518K72.8Confident81.6Confident175 Ų17538.5 Ų38.576%0.76121%0.206SC*.Hα-helixtrans-64.7-43176.1-176.2176.2-176.9175.40111.6D1516 L1522D1516-K1518 VanDerWaalsContact C-N 3.27Å; D1516-K1518 PolarHBondContact O-N 3.33Å; D1516-K1518 WeakPolarHBondContact OD2-CB 3.21Å; K1518-L1522 WeakPolarHBondContact O-CB 3.32Å; K1518-L1522 PolarHBondContact O-N 3.21Å
1519G77.4Confident81.4Confident1 Ų143.9 Ų43.91%0.0124%0.235CC..Hα-helixtrans-61.8-45.7172.500000113.9M1515 D1516 L1522 L1523M1515-G1519 WeakPolarHBondContact CE-O 3.18Å; D1516-G1519 CarbonylContact O-C 3.57Å; D1516-G1519 WeakPolarHBondContact O-CA 3.16Å; D1516-G1519 PolarHBondContact O-N 3Å; D1516-G1519 PolarHBondContact OD2-N 2.83Å; G1519-L1522 PolarHBondContact O-N 3.05Å; G1519-L1523 PolarHBondContact O-N 3.28Å
1520K80Confident81.3Confident47 Ų4744.5 Ų44.520%0.20424%0.238CC..Hα-helixtrans-57.5-53.8176.5-74-165.2177.8-160.30110.6T1512 M1515 D1516 V1517 L1522 L1523 W1524 E1546T1512-K1520 HydrophobicContact CG2-CG 4.44Å; M1515-K1520 HydrophobicContact CB-CG 3.95Å; D1516-K1520 PolarHBondContact O-N 2.94Å; V1517-K1520 PolarHBondContact O-N 3.32Å; K1520-L1522 VanDerWaalsContact C-N 3.31Å; K1520-L1522 PolarHBondContact O-N 2.96Å; K1520-L1523 PolarHBondContact O-N 3.4Å; K1520-L1523 VanDerWaalsContact O-N 3.11Å; K1520-W1524 HydrophobicContact CB-CZ2 3.98Å; K1520-W1524 HydrophobicContact CD-CZ2 4.08Å; K1520-W1524 PolarHBondContact O-N 2.77Å; K1520-E1546 IonicContact NZ-OE1 3.89Å; K1520-E1546 PolarHBondContact NZ-OE1 2.8Å
1521R81.5Confident81.5Confident77 Ų7744.2 Ų44.229%0.29124%0.238SC..Hα-helixtrans-55.8-41.8177.1-70.6174174.7-145.1-5.6112.5E1056 H1060 V1517 W1524 N1525E1056-R1521 IonicContact OE1-CZ 2.68Å; E1056-R1521 IonicContact OE1-NE 2.89Å; E1056-R1521 IonicContact OE1-NH2 3.22Å; E1056-R1521 PolarHBondContact OE1-NH2 2.94Å; E1056-R1521 IonicContact OE2-NH2 2.75Å; E1056-R1521 PolarHBondContact OE2-NH2 3.45Å; E1056-R1521 VanDerWaalsContact OE2-NH2 3.13Å; H1060-R1521 PolarHBondContact CD2-NH1 3.39Å; H1060-R1521 PolarHBondContact NE2-NH1 3.19Å; V1517-R1521 WeakPolarHBondContact O-CG 3.16Å; V1517-R1521 PolarHBondContact O-N 2.94Å; R1521-W1524 HydrophobicContact CG-CE3 4.18Å; R1521-W1524 HydrophobicContact CG-CZ3 4.19Å; R1521-W1524 PolarHBondContact O-N 3.39Å; R1521-N1525 VanDerWaalsContact O-CG 3.27Å; R1521-N1525 PolarHBondContact O-N 3.4Å; R1521-N1525 PolarHBondContact O-OD1 3.21Å
1522L85Confident81.6Confident55 Ų5548.5 Ų48.529%0.28827%0.274SS..Hα-helixtrans-62.4-43.8175.8178.263.7000112.6K1518 G1519 K1520 T1526K1518-L1522 WeakPolarHBondContact O-CB 3.32Å; K1518-L1522 PolarHBondContact O-N 3.21Å; G1519-L1522 PolarHBondContact O-N 3.05Å; K1520-L1522 VanDerWaalsContact C-N 3.31Å; K1520-L1522 PolarHBondContact O-N 2.96Å; L1522-T1526 PolarHBondContact O-N 3.37Å; L1522-T1526 PolarHBondContact O-OG1 2.92Å
1523L88.6Confident81.7Confident1 Ų152.2 Ų52.21%0.00530%0.3CS..Hα-helixtrans-70.3-36.2177.5-178.258.7000112.1L1472 A1495 P1511 M1515 G1519 K1520 T1526 I1527L1472-L1523 HydrophobicContact CD2-CD1 3.67Å; A1495-L1523 HydrophobicContact CB-CD1 3.94Å; P1511-L1523 HydrophobicContact CB-CD2 4.13Å; P1511-L1523 WeakPolarHBondContact O-CD2 3.48Å; M1515-L1523 HydrophobicContact CE-CB 3.89Å; M1515-L1523 HydrophobicContact CE-CD2 3.87Å; M1515-L1523 HydrophobicContact SD-CD2 3.71Å; G1519-L1523 PolarHBondContact O-N 3.28Å; K1520-L1523 PolarHBondContact O-N 3.4Å; K1520-L1523 VanDerWaalsContact O-N 3.11Å; L1523-T1526 WeakPolarHBondContact O-CB 3.21Å; L1523-T1526 PolarHBondContact O-N 2.94Å; L1523-I1527 HydrophobicContact CD1-CD1 4.35Å; L1523-I1527 HydrophobicContact CD1-CG1 4.44Å; L1523-I1527 HydrophobicContact CG-CD1 4.11Å; L1523-I1527 VanDerWaalsContact O-CG1 3.32Å; L1523-I1527 WeakPolarHBondContact O-CG1 3.37Å; L1523-I1527 PolarHBondContact O-N 2.72Å
1524W87.6Confident82.2Confident27 Ų2751.9 Ų51.910%0.10230%0.299CS..Hα-helixtrans-60.5-50174-63.7-11000111.6K1520 R1521 T1526 I1527 L1528 E1546 I1549 L1550K1520-W1524 HydrophobicContact CB-CZ2 3.98Å; K1520-W1524 HydrophobicContact CD-CZ2 4.08Å; K1520-W1524 PolarHBondContact O-N 2.77Å; R1521-W1524 HydrophobicContact CG-CE3 4.18Å; R1521-W1524 HydrophobicContact CG-CZ3 4.19Å; R1521-W1524 PolarHBondContact O-N 3.39Å; W1524-T1526 VanDerWaalsContact C-N 3.3Å; W1524-T1526 PolarHBondContact O-N 2.92Å; W1524-I1527 PolarHBondContact O-N 3.33Å; W1524-I1527 VanDerWaalsContact O-N 3.12Å; W1524-L1528 WeakPolarHBondContact O-CG 3.29Å; W1524-L1528 PolarHBondContact O-N 2.81Å; W1524-E1546 HydrophobicContact CZ2-CG 3.48Å; W1524-E1546 VanDerWaalsContact CZ2-CG 3.48Å; W1524-I1549 HydrophobicContact CE3-CD1 4.02Å; W1524-I1549 HydrophobicContact CE3-CG2 4.21Å; W1524-I1549 HydrophobicContact CH2-CD1 3.92Å; W1524-I1549 HydrophobicContact CZ3-CD1 3.51Å; W1524-L1550 HydrophobicContact CB-CD2 3.91Å; W1524-L1550 HydrophobicContact CG-CD1 4.45Å; W1524-L1550 HydrophobicContact CG-CD2 4.26Å
1525N87.6Confident83.1Confident95 Ų9549.4 Ų49.451%0.50827%0.273SS..Hα-helixtrans-57.7-45175.1-66.71000110.8R1521 I1527 L1528 D1529R1521-N1525 VanDerWaalsContact O-CG 3.27Å; R1521-N1525 PolarHBondContact O-N 3.4Å; R1521-N1525 PolarHBondContact O-OD1 3.21Å; N1525-I1527 VanDerWaalsContact C-N 3.31Å; N1525-I1527 PolarHBondContact O-N 3.12Å; N1525-L1528 PolarHBondContact O-N 2.79Å; N1525-L1528 VanDerWaalsContact O-N 3.16Å; N1525-D1529 VanDerWaalsContact O-CG 3.25Å; N1525-D1529 PolarHBondContact O-N 2.78Å
1526T87.1Confident83.7Confident8 Ų848.9 Ų48.95%0.04927%0.27CS..Hα-helixtrans-58.3-40.8176.5-53.70000112.1L1472 L1499 L1522 L1523 W1524 I1530L1472-T1526 HydrophobicContact CD2-CG2 4.06Å; L1472-T1526 HydrophobicContact CG-CG2 4.43Å; L1499-T1526 HydrophobicContact CD1-CG2 4.11Å; L1522-T1526 PolarHBondContact O-N 3.37Å; L1522-T1526 PolarHBondContact O-OG1 2.92Å; L1523-T1526 WeakPolarHBondContact O-CB 3.21Å; L1523-T1526 PolarHBondContact O-N 2.94Å; W1524-T1526 VanDerWaalsContact C-N 3.3Å; W1524-T1526 PolarHBondContact O-N 2.92Å; T1526-I1530 HydrophobicContact CG2-CD1 3.92Å; T1526-I1530 WeakPolarHBondContact O-CD1 3.4Å; T1526-I1530 WeakPolarHBondContact O-CG1 3.48Å; T1526-I1530 PolarHBondContact O-N 3.47Å
1527I88.8Confident84.7Confident2 Ų245.7 Ų45.71%0.0125%0.253CS..Hα-helixtrans-67.9-43.2176.9-69.4166.1000110.8F1508 L1523 W1524 N1525 I1530 V1531 L1550F1508-I1527 HydrophobicContact CD2-CD1 4.3Å; F1508-I1527 HydrophobicContact CE2-CD1 4.09Å; F1508-I1527 HydrophobicContact CE2-CG1 3.85Å; F1508-I1527 HydrophobicContact CZ-CG1 4.26Å; L1523-I1527 HydrophobicContact CD1-CD1 4.35Å; L1523-I1527 HydrophobicContact CD1-CG1 4.44Å; L1523-I1527 HydrophobicContact CG-CD1 4.11Å; L1523-I1527 VanDerWaalsContact O-CG1 3.32Å; L1523-I1527 WeakPolarHBondContact O-CG1 3.37Å; L1523-I1527 PolarHBondContact O-N 2.72Å; W1524-I1527 PolarHBondContact O-N 3.33Å; W1524-I1527 VanDerWaalsContact O-N 3.12Å; N1525-I1527 VanDerWaalsContact C-N 3.31Å; N1525-I1527 PolarHBondContact O-N 3.12Å; I1527-I1530 PolarHBondContact O-N 3.12Å; I1527-V1531 HydrophobicContact CG2-CG2 4.3Å; I1527-V1531 VanDerWaalsContact O-CG2 3.31Å; I1527-V1531 WeakPolarHBondContact O-CG2 3.34Å; I1527-V1531 PolarHBondContact O-N 3.32Å; I1527-L1550 HydrophobicContact CB-CD2 4.33Å; I1527-L1550 HydrophobicContact CD1-CD1 4.1Å; I1527-L1550 HydrophobicContact CG2-CD2 4.22Å
1528L87.9Confident85.7Confident71 Ų7143.3 Ų43.337%0.37224%0.239SC..Hα-helixtrans-62.9-42.4178.1-68.6170000111.9W1524 N1525 I1530 V1531 A1532 L1550W1524-L1528 WeakPolarHBondContact O-CG 3.29Å; W1524-L1528 PolarHBondContact O-N 2.81Å; N1525-L1528 PolarHBondContact O-N 2.79Å; N1525-L1528 VanDerWaalsContact O-N 3.16Å; L1528-I1530 VanDerWaalsContact C-N 3.26Å; L1528-I1530 PolarHBondContact O-N 2.92Å; L1528-V1531 PolarHBondContact O-N 3.04Å; L1528-A1532 VanDerWaalsContact O-CB 3.3Å; L1528-A1532 WeakPolarHBondContact O-CB 3.45Å; L1528-A1532 PolarHBondContact O-N 3.18Å; L1528-L1550 HydrophobicContact CD1-CD2 4.37Å; L1528-L1550 HydrophobicContact CD2-CD2 4.11Å; L1528-L1550 HydrophobicContact CG-CD2 3.89Å
1529D87.1Confident86.5Confident115 Ų11535 Ų3562%0.61520%0.203SC*.Hα-helixtrans-58.5-38.8174.1-67.4-23000111.8N1525 S1533N1525-D1529 VanDerWaalsContact O-CG 3.25Å; N1525-D1529 PolarHBondContact O-N 2.78Å; D1529-S1533 PolarHBondContact O-N 3.34Å
1530I86.9Confident87Confident13 Ų1335 Ų357%0.06720%0.202CC..Hα-helixtrans-73.7-42.3-179.5-71.5164.2000111.6L1499 I1506 T1526 I1527 L1528 A1532 S1533 G1534 A1535L1499-I1530 HydrophobicContact CD1-CD1 3.58Å; L1499-I1530 HydrophobicContact CD2-CD1 3.63Å; L1499-I1530 HydrophobicContact CG-CD1 4.21Å; I1506-I1530 HydrophobicContact CD1-CG2 3.53Å; T1526-I1530 HydrophobicContact CG2-CD1 3.92Å; T1526-I1530 WeakPolarHBondContact O-CD1 3.4Å; T1526-I1530 WeakPolarHBondContact O-CG1 3.48Å; T1526-I1530 PolarHBondContact O-N 3.47Å; I1527-I1530 PolarHBondContact O-N 3.12Å; L1528-I1530 VanDerWaalsContact C-N 3.26Å; L1528-I1530 PolarHBondContact O-N 2.92Å; I1530-A1532 VanDerWaalsContact C-N 3.33Å; I1530-S1533 WeakPolarHBondContact O-CB 3.3Å; I1530-S1533 PolarHBondContact O-N 3.28Å; I1530-S1533 PolarHBondContact O-OG 2.96Å; I1530-G1534 PolarHBondContact O-N 3.42Å; I1530-A1535 HydrophobicContact CG2-CB 3.79Å; I1530-A1535 PolarHBondContact O-N 3.04Å
1531V87.8Confident87.1Confident20 Ų2033 Ų3312%0.12119%0.194CC..Hα-helixtrans-61.4-44.2173.1173.90000109.9G1381 C1383 I1527 L1528 S1533 G1534 V1537G1381-V1531 VanDerWaalsContact O-CG1 3.22Å; G1381-V1531 WeakPolarHBondContact O-CG1 3.36Å; C1383-V1531 HydrophobicContact CB-CG1 4.45Å; C1383-V1531 HydrophobicContact CB-CG2 3.98Å; I1527-V1531 HydrophobicContact CG2-CG2 4.3Å; I1527-V1531 VanDerWaalsContact O-CG2 3.31Å; I1527-V1531 WeakPolarHBondContact O-CG2 3.34Å; I1527-V1531 PolarHBondContact O-N 3.32Å; L1528-V1531 PolarHBondContact O-N 3.04Å; V1531-S1533 VanDerWaalsContact C-N 3.27Å; V1531-S1533 PolarHBondContact O-N 2.95Å; V1531-G1534 WeakPolarHBondContact O-CA 3.22Å; V1531-G1534 PolarHBondContact O-N 3.19Å; V1531-V1537 HydrophobicContact CG2-CB 4.15Å; V1531-V1537 HydrophobicContact CG2-CG2 3.61Å
1532A85.7Confident86.7Confident90 Ų9030 Ų3074%0.74418%0.184SC*.Hα-helixtrans-63.1-28.5174.600000113.6L1528 I1530 G1534L1528-A1532 VanDerWaalsContact O-CB 3.3Å; L1528-A1532 WeakPolarHBondContact O-CB 3.45Å; L1528-A1532 PolarHBondContact O-N 3.18Å; I1530-A1532 VanDerWaalsContact C-N 3.33Å; A1532-G1534 PolarHBondContact O-N 3.41Å
1533S84Confident86.2Confident85 Ų8528.5 Ų28.559%0.59418%0.176SC*.THydrogen-bonded Turntrans-72.4-5.3170.981.20000114.2D1529 I1530 V1531D1529-S1533 PolarHBondContact O-N 3.34Å; I1530-S1533 WeakPolarHBondContact O-CB 3.3Å; I1530-S1533 PolarHBondContact O-N 3.28Å; I1530-S1533 PolarHBondContact O-OG 2.96Å; V1531-S1533 VanDerWaalsContact C-N 3.27Å; V1531-S1533 PolarHBondContact O-N 2.95Å
1534G83.6Confident85.7Confident20 Ų2028.7 Ų28.721%0.20618%0.177CC..THydrogen-bonded Turntrans86.726.6176.500000114.7R1380 I1530 V1531 A1532R1380-G1534 WeakPolarHBondContact CG-O 3.39Å; R1380-G1534 PolarHBondContact NE-O 2.88Å; I1530-G1534 PolarHBondContact O-N 3.42Å; V1531-G1534 WeakPolarHBondContact O-CA 3.22Å; V1531-G1534 PolarHBondContact O-N 3.19Å; A1532-G1534 PolarHBondContact O-N 3.41Å
1535A86.1Confident85Confident8 Ų831.7 Ų31.77%0.06619%0.192CC..  trans-86.7144.9166.300000110.9G1381 I1506 I1530G1381-A1535 WeakPolarHBondContact CA-O 3.4Å; G1381-A1535 PolarHBondContact N-O 2.86Å; I1506-A1535 HydrophobicContact CD1-CB 4.35Å; I1530-A1535 HydrophobicContact CG2-CB 3.79Å; I1530-A1535 PolarHBondContact O-N 3.04Å
1536A89.9Confident84.6Confident0 Ų027.3 Ų27.30%017%0.169CC..EExtended strand (participates in β ladder)trans-84.4133.1173.300000110.3M1349 V1378 Q1379 S1504 L1505 I1506M1349-A1536 HydrophobicContact CB-CB 3.74Å; M1349-A1536 HydrophobicContact CG-CB 3.98Å; V1378-A1536 HydrophobicContact CG1-CB 4.05Å; Q1379-A1536 WeakPolarHBondContact O-CB 3.39Å; S1504-A1536 PolarHBondContact O-N 2.88Å; L1505-A1536 CarbonylContact C-O 3.55Å; L1505-A1536 WeakPolarHBondContact CA-O 3.48Å; L1505-A1536 HydrophobicContact CD1-CB 3.92Å; I1506-A1536 PolarHBondContact N-O 2.71Å
1537V91.6Very high84.4Confident0 Ų026.9 Ų26.90%017%0.166CC..EExtended strand (participates in β ladder)trans-123.9123.2-178.6-177.90000110.5E1382 C1383 L1384 I1506 F1508 V1531E1382-V1537 PolarHBondContact O-N 2.68Å; C1383-V1537 CarbonylContact C-O 3.6Å; C1383-V1537 WeakPolarHBondContact CA-O 3.46Å; C1383-V1537 HydrophobicContact CB-CB 4.48Å; L1384-V1537 PolarHBondContact N-O 3.08Å; I1506-V1537 HydrophobicContact CB-CG2 4.43Å; I1506-V1537 WeakPolarHBondContact O-CA 3.49Å; F1508-V1537 HydrophobicContact CD2-CG1 3.95Å; F1508-V1537 HydrophobicContact CE2-CG1 4.34Å; V1531-V1537 HydrophobicContact CG2-CB 4.15Å; V1531-V1537 HydrophobicContact CG2-CG2 3.61Å
1538L92.2Very high84Confident0 Ų030 Ų300%018%0.181CC..EExtended strand (participates in β ladder)trans-111.1124.5167.2-174.672.4000107.9L1350 F1376 V1378 L1384 L1386 F1398 I1401 I1506 L1507 F1508L1350-L1538 HydrophobicContact CD2-CD2 4.23Å; F1376-L1538 HydrophobicContact CE2-CD1 3.84Å; F1376-L1538 HydrophobicContact CE2-CD2 3.98Å; F1376-L1538 HydrophobicContact CZ-CD1 4.38Å; F1376-L1538 HydrophobicContact CZ-CD2 3.91Å; V1378-L1538 HydrophobicContact CG2-CD1 4.26Å; L1384-L1538 HydrophobicContact CB-CD1 3.89Å; L1384-L1538 HydrophobicContact CD2-CD1 3.71Å; L1384-L1538 HydrophobicContact CG-CD1 3.67Å; L1384-L1538 WeakPolarHBondContact O-CA 3.3Å; L1386-L1538 HydrophobicContact CD1-CD1 4.41Å; L1386-L1538 HydrophobicContact CD2-CD1 4Å; L1386-L1538 HydrophobicContact CG-CD1 3.99Å; F1398-L1538 HydrophobicContact CD1-CD2 4.46Å; F1398-L1538 HydrophobicContact CE1-CD2 3.76Å; F1398-L1538 HydrophobicContact CE1-CG 3.89Å; F1398-L1538 HydrophobicContact CZ-CB 4.32Å; F1398-L1538 HydrophobicContact CZ-CD2 3.94Å; F1398-L1538 HydrophobicContact CZ-CG 3.74Å; F1398-L1538 WeakPolarHBondContact CZ-O 3.07Å; I1401-L1538 HydrophobicContact CD1-CD2 3.87Å; I1506-L1538 PolarHBondContact O-N 2.86Å; L1507-L1538 WeakPolarHBondContact CA-O 3.5Å; L1507-L1538 HydrophobicContact CD2-CB 3.78Å; L1507-L1538 HydrophobicContact CD2-CD2 3.99Å; L1507-L1538 HydrophobicContact CD2-CG 4.44Å; F1508-L1538 PolarHBondContact N-O 3.44Å
1539F89.1Confident83.6Confident1 Ų129.9 Ų29.90%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-132.7155176.381-89.4000114.5C1383 L1384 G1385 L1386 F1508 L1550 C1551C1383-F1539 VanDerWaalsContact SG-CE1 3.56Å; L1384-F1539 PolarHBondContact O-N 3.44Å; G1385-F1539 CarbonylContact C-O 3.6Å; G1385-F1539 WeakPolarHBondContact CA-O 3.41Å; L1386-F1539 PolarHBondContact N-O 3.25Å; F1508-F1539 HydrophobicContact CB-CB 3.72Å; F1508-F1539 CarbonylContact O-C 3.52Å; F1508-F1539 WeakPolarHBondContact O-CA 3.16Å; F1508-F1539 WeakPolarHBondContact O-CB 3.47Å; F1539-L1550 HydrophobicContact CE1-CB 3.75Å; F1539-L1550 HydrophobicContact CE1-CD1 4.31Å; F1539-L1550 HydrophobicContact CE2-CD1 4.45Å; F1539-L1550 HydrophobicContact CZ-CB 3.78Å; F1539-L1550 HydrophobicContact CZ-CD1 3.98Å; F1539-L1550 HydrophobicContact CZ-CG 4.47Å; F1539-C1551 WeakPolarHBondContact CE1-SG 3.27Å; F1539-C1551 WeakPolarHBondContact CZ-SG 3.3Å
1540T88.9Confident83.5Confident0 Ų024.7 Ų24.70%015%0.152CC..EExtended strand (participates in β ladder)trans-105.1142.9166.977.80000109.4L1386 K1394 F1398 F1508 D1509 E1510 P1511L1386-T1540 HydrophobicContact CB-CG2 4.4Å; K1394-T1540 HydrophobicContact CB-CG2 4.04Å; F1398-T1540 HydrophobicContact CD1-CG2 3.75Å; F1398-T1540 HydrophobicContact CE1-CG2 3.32Å; F1398-T1540 HydrophobicContact CE2-CG2 4.3Å; F1398-T1540 HydrophobicContact CG-CG2 4.43Å; F1398-T1540 HydrophobicContact CZ-CG2 3.63Å; F1508-T1540 PolarHBondContact O-N 2.73Å; D1509-T1540 WeakPolarHBondContact CA-OG1 3.4Å; D1509-T1540 WeakPolarHBondContact OD1-CB 3.38Å; D1509-T1540 VanDerWaalsContact OD1-CG2 3.23Å; D1509-T1540 WeakPolarHBondContact OD1-CG2 3.34Å; D1509-T1540 PolarHBondContact OD1-OG1 3.35Å; E1510-T1540 WeakPolarHBondContact CA-O 3.45Å; E1510-T1540 PolarHBondContact N-O 2.89Å; E1510-T1540 PolarHBondContact N-OG1 3.5Å; P1511-T1540 WeakPolarHBondContact CD-O 3.46Å
1541S82.1Confident83.5Confident4 Ų424.6 Ų24.63%0.02815%0.152CC..  trans-143.1169.1161.8-167.60000111K1394 N1543 E1546K1394-S1541 PolarHBondContact NZ-O 2.83Å; S1541-N1543 PolarHBondContact OG-N 2.97Å; S1541-E1546 PolarHBondContact OG-OE2 2.88Å
1542N74.1Confident83.4Confident16 Ų1627.6 Ų27.69%0.08617%0.168CC..SBendtrans-117.51.2168-89.2-28.8000111.4R920 N1390 K1394 E1510R920-N1542 PolarHBondContact NH2-O 3.09Å; N1390-N1542 PolarHBondContact OD1-ND2 2.96Å; K1394-N1542 PolarHBondContact NZ-OD1 2.92Å; E1510-N1542 VanDerWaalsContact OE1-CG 3.27Å; E1510-N1542 PolarHBondContact OE1-ND2 3.01Å
1543N73.4Confident83.6Confident23 Ų2326.1 Ų26.112%0.12314%0.143CC..  trans-104.5128.7169.7-175.710000109.8S1541 E1545 E1546S1541-N1543 PolarHBondContact OG-N 2.97Å; N1543-E1545 PolarHBondContact ND2-OE2 3.16Å; N1543-E1545 WeakPolarHBondContact OD1-CG 3.46Å; N1543-E1545 PolarHBondContact OD1-N 2.78Å; N1543-E1545 PolarHBondContact OD1-OE2 3.33Å; N1543-E1546 HydrophobicContact CB-CB 4.37Å; N1543-E1546 HydrophobicContact CB-CG 4.09Å; N1543-E1546 PolarHBondContact ND2-OE1 2.83Å
1544M77.9Confident83.9Confident4 Ų422 Ų222%0.0211%0.114CC..Hα-helixtrans-81.6-28-176.6-55.8-51.2170.700112.5P917 L1387 E1546 C1547 E1548 L1654 D1655 F1658P917-M1544 HydrophobicContact CG-CE 3.76Å; L1387-M1544 HydrophobicContact CD1-CE 4.35Å; L1387-M1544 HydrophobicContact CD1-SD 3.46Å; L1387-M1544 WeakPolarHBondContact CD1-SD 3.37Å; L1387-M1544 HydrophobicContact CD2-CE 4.06Å; L1387-M1544 HydrophobicContact CD2-SD 3.49Å; L1387-M1544 WeakPolarHBondContact CD2-SD 3.18Å; L1387-M1544 HydrophobicContact CG-SD 4.07Å; M1544-E1546 PolarHBondContact O-N 3.32Å; M1544-C1547 PolarHBondContact O-N 3.4Å; M1544-E1548 WeakPolarHBondContact O-CG 3.38Å; M1544-E1548 PolarHBondContact O-N 2.69Å; M1544-L1654 HydrophobicContact CB-CD2 3.99Å; M1544-L1654 HydrophobicContact CG-CD2 4.02Å; M1544-L1654 HydrophobicContact SD-CD2 3.63Å; M1544-D1655 HydrophobicContact CB-CB 3.97Å; M1544-D1655 HydrophobicContact CG-CB 3.8Å; M1544-D1655 VanDerWaalsContact CG-OD1 3.22Å; M1544-D1655 WeakPolarHBondContact CG-OD1 3.4Å; M1544-F1658 HydrophobicContact CE-CB 4.09Å; M1544-F1658 HydrophobicContact CE-CD1 3.59Å; M1544-F1658 HydrophobicContact CE-CD2 3.87Å; M1544-F1658 HydrophobicContact CE-CE1 3.95Å; M1544-F1658 HydrophobicContact CE-CE2 4.22Å; M1544-F1658 HydrophobicContact CE-CG 3.55Å; M1544-F1658 HydrophobicContact CE-CZ 4.25Å
1545E74Confident84.1Confident91 Ų9121.1 Ų21.143%0.42511%0.105SC..Hα-helixtrans-56.2-42.6172.7-53.4168.3139.700111.1N1543 C1547 E1548 I1549N1543-E1545 PolarHBondContact ND2-OE2 3.16Å; N1543-E1545 WeakPolarHBondContact OD1-CG 3.46Å; N1543-E1545 PolarHBondContact OD1-N 2.78Å; N1543-E1545 PolarHBondContact OD1-OE2 3.33Å; E1545-C1547 VanDerWaalsContact C-N 3.32Å; E1545-C1547 PolarHBondContact O-N 2.87Å; E1545-E1548 PolarHBondContact O-N 3.15Å; E1545-I1549 WeakPolarHBondContact O-CB 3.29Å; E1545-I1549 VanDerWaalsContact O-CG1 3.26Å; E1545-I1549 WeakPolarHBondContact O-CG1 3.28Å; E1545-I1549 PolarHBondContact O-N 3.4Å
1546E78.3Confident84.2Confident2 Ų220.7 Ų20.71%0.00910%0.101CC..Hα-helixtrans-65.3-37.5-179.1-72.7163.6-158.400111.5T1512 K1520 W1524 S1541 N1543 M1544 L1550T1512-E1546 WeakPolarHBondContact CB-OE2 3.22Å; T1512-E1546 HydrophobicContact CG2-CG 4.27Å; T1512-E1546 PolarHBondContact OG1-OE1 2.84Å; T1512-E1546 PolarHBondContact OG1-OE2 3.13Å; K1520-E1546 IonicContact NZ-OE1 3.89Å; K1520-E1546 PolarHBondContact NZ-OE1 2.8Å; W1524-E1546 HydrophobicContact CZ2-CG 3.48Å; W1524-E1546 VanDerWaalsContact CZ2-CG 3.48Å; S1541-E1546 PolarHBondContact OG-OE2 2.88Å; N1543-E1546 HydrophobicContact CB-CB 4.37Å; N1543-E1546 HydrophobicContact CB-CG 4.09Å; N1543-E1546 PolarHBondContact ND2-OE1 2.83Å; M1544-E1546 PolarHBondContact O-N 3.32Å; E1546-L1550 VanDerWaalsContact O-CB 3.24Å; E1546-L1550 WeakPolarHBondContact O-CB 3.25Å; E1546-L1550 WeakPolarHBondContact O-CG 3.46Å; E1546-L1550 PolarHBondContact O-N 2.79Å
1547C83.5Confident84Confident0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-74.2-35172-72.50000112.6L1387 M1544 E1545 I1549 C1551 V1554 I1568L1387-C1547 HydrophobicContact CD1-CB 4.42Å; L1387-C1547 HydrophobicContact CD2-CB 4.42Å; L1387-C1547 VanDerWaalsContact CD2-SG 3.57Å; M1544-C1547 PolarHBondContact O-N 3.4Å; E1545-C1547 VanDerWaalsContact C-N 3.32Å; E1545-C1547 PolarHBondContact O-N 2.87Å; C1547-I1549 VanDerWaalsContact C-N 3.32Å; C1547-I1549 PolarHBondContact O-N 3.29Å; C1547-C1551 WeakPolarHBondContact O-CB 3.25Å; C1547-C1551 PolarHBondContact O-N 2.88Å; C1547-C1551 VanDerWaalsContact O-N 3.11Å; C1547-C1551 PolarHBondContact O-SG 2.81Å; C1547-V1554 HydrophobicContact CB-CG2 4.34Å; C1547-I1568 WeakPolarHBondContact O-CD1 3.44Å
1548E79.6Confident83.4Confident67 Ų6721.8 Ų21.831%0.31311%0.107SC..Hα-helixtrans-66.8-31.5174-72.2-155.7-170.200113.2M1544 E1545 I1568 K1572 L1654M1544-E1548 WeakPolarHBondContact O-CG 3.38Å; M1544-E1548 PolarHBondContact O-N 2.69Å; E1545-E1548 PolarHBondContact O-N 3.15Å; E1548-I1568 HydrophobicContact CG-CG2 4.46Å; E1548-K1572 WeakPolarHBondContact OE1-CE 3.45Å; E1548-K1572 IonicContact OE1-NZ 2.69Å; E1548-K1572 PolarHBondContact OE1-NZ 3.08Å; E1548-K1572 IonicContact OE2-NZ 3.08Å; E1548-K1572 PolarHBondContact OE2-NZ 2.81Å; E1548-L1654 HydrophobicContact CG-CB 3.86Å; E1548-L1654 HydrophobicContact CG-CD1 4.41Å; E1548-L1654 WeakPolarHBondContact OE1-CB 3.44Å; E1548-L1654 PolarHBondContact OE1-N 2.88Å
1549I80.4Confident82.7Confident68 Ų6826.8 Ų26.835%0.34914%0.142SC..Hα-helixtrans-86.5-35.8-178.5-69167.1000112.7W1524 E1545 C1547W1524-I1549 HydrophobicContact CE3-CD1 4.02Å; W1524-I1549 HydrophobicContact CE3-CG2 4.21Å; W1524-I1549 HydrophobicContact CH2-CD1 3.92Å; W1524-I1549 HydrophobicContact CZ3-CD1 3.51Å; E1545-I1549 WeakPolarHBondContact O-CB 3.29Å; E1545-I1549 VanDerWaalsContact O-CG1 3.26Å; E1545-I1549 WeakPolarHBondContact O-CG1 3.28Å; E1545-I1549 PolarHBondContact O-N 3.4Å; C1547-I1549 VanDerWaalsContact C-N 3.32Å; C1547-I1549 PolarHBondContact O-N 3.29Å
1550L84.9Confident82.1Confident7 Ų726.8 Ų26.84%0.03714%0.142CC..Hα-helixtrans-103.7-29.3-171.5-60.5175.6000114.9C1383 W1524 I1527 L1528 F1539 E1546C1383-L1550 WeakPolarHBondContact CB-O 3.48Å; C1383-L1550 PolarHBondContact SG-O 2.98Å; C1383-L1550 VanDerWaalsContact SG-O 3.34Å; W1524-L1550 HydrophobicContact CB-CD2 3.91Å; W1524-L1550 HydrophobicContact CG-CD1 4.45Å; W1524-L1550 HydrophobicContact CG-CD2 4.26Å; I1527-L1550 HydrophobicContact CB-CD2 4.33Å; I1527-L1550 HydrophobicContact CD1-CD1 4.1Å; I1527-L1550 HydrophobicContact CG2-CD2 4.22Å; L1528-L1550 HydrophobicContact CD1-CD2 4.37Å; L1528-L1550 HydrophobicContact CD2-CD2 4.11Å; L1528-L1550 HydrophobicContact CG-CD2 3.89Å; F1539-L1550 HydrophobicContact CE1-CB 3.75Å; F1539-L1550 HydrophobicContact CE1-CD1 4.31Å; F1539-L1550 HydrophobicContact CE2-CD1 4.45Å; F1539-L1550 HydrophobicContact CZ-CB 3.78Å; F1539-L1550 HydrophobicContact CZ-CD1 3.98Å; F1539-L1550 HydrophobicContact CZ-CG 4.47Å; E1546-L1550 VanDerWaalsContact O-CB 3.24Å; E1546-L1550 WeakPolarHBondContact O-CB 3.25Å; E1546-L1550 WeakPolarHBondContact O-CG 3.46Å; E1546-L1550 PolarHBondContact O-N 2.79Å
1551C86.8Confident81.9Confident11 Ų1131.8 Ų31.87%0.07416%0.164CC..  trans-84.5143.6-170.7-60.80000113.3C1383 G1385 F1539 C1547 R1553 V1554 I1568C1383-C1551 WeakPolarHBondContact O-CA 3.4Å; G1385-C1551 WeakPolarHBondContact CA-SG 3.39Å; G1385-C1551 PolarHBondContact N-SG 2.84Å; G1385-C1551 VanDerWaalsContact N-SG 3.42Å; F1539-C1551 WeakPolarHBondContact CE1-SG 3.27Å; F1539-C1551 WeakPolarHBondContact CZ-SG 3.3Å; C1547-C1551 WeakPolarHBondContact O-CB 3.25Å; C1547-C1551 PolarHBondContact O-N 2.88Å; C1547-C1551 VanDerWaalsContact O-N 3.11Å; C1547-C1551 PolarHBondContact O-SG 2.81Å; C1551-R1553 WeakPolarHBondContact CB-O 3.34Å; C1551-V1554 HydrophobicContact CB-CG2 3.58Å; C1551-I1568 HydrophobicContact CB-CD1 4.2Å; C1551-I1568 WeakPolarHBondContact O-CD1 3.39Å
1552N86Confident82.1Confident83 Ų8333.8 Ų33.844%0.44417%0.172SC..SBendtrans-84.3-43.7158.2-50.995.1000110E1382 C1383 T1567E1382-N1552 HydrophobicContact CG-CB 4.27Å; C1383-N1552 PolarHBondContact N-OD1 3Å; C1383-N1552 PolarHBondContact O-N 3.26Å; N1552-T1567 WeakPolarHBondContact O-CA 3.4Å
1553R90.1Very high82.5Confident58 Ų5836.9 Ų36.922%0.21919%0.185CC..EExtended strand (participates in β ladder)trans-127.1150.2179.8-75.1167.858.3-130.415.8111E1377 E1382 C1383 L1384 G1385 C1551 D1566 T1567E1377-R1553 PolarHBondContact O-NH1 2.99Å; E1377-R1553 VanDerWaalsContact O-NH1 3.14Å; E1382-R1553 VanDerWaalsContact CD-NH1 3.28Å; E1382-R1553 WeakPolarHBondContact OE1-CB 3.42Å; E1382-R1553 VanDerWaalsContact OE1-CD 3.23Å; E1382-R1553 WeakPolarHBondContact OE1-CD 3.44Å; E1382-R1553 IonicContact OE1-CZ 3.82Å; E1382-R1553 IonicContact OE1-NE 3.19Å; E1382-R1553 IonicContact OE1-NH1 3.72Å; E1382-R1553 PolarHBondContact OE1-NH1 3.44Å; E1382-R1553 IonicContact OE2-NH1 2.8Å; E1382-R1553 PolarHBondContact OE2-NH1 3.4Å; E1382-R1553 VanDerWaalsContact OE2-NH1 3.13Å; C1383-R1553 PolarHBondContact O-N 2.85Å; L1384-R1553 WeakPolarHBondContact CA-O 3.32Å; L1384-R1553 HydrophobicContact CD1-CB 3.91Å; L1384-R1553 WeakPolarHBondContact CD1-O 3.42Å; G1385-R1553 PolarHBondContact N-O 2.82Å; C1551-R1553 WeakPolarHBondContact CB-O 3.34Å; R1553-D1566 CarbonylContact C-O 3.45Å; R1553-D1566 WeakPolarHBondContact CA-O 3.34Å; R1553-T1567 HydrophobicContact CG-CG2 3.92Å
1554V88.9Confident83.1Confident0 Ų036.3 Ų36.30%018%0.183CC..EExtended strand (participates in β ladder)trans-135.4127.6-175.9175.40000109.8G1385 L1387 C1547 C1551 L1565 D1566 I1568 L1571 L1654G1385-V1554 WeakPolarHBondContact O-CA 3.36Å; L1387-V1554 HydrophobicContact CD1-CG1 3.41Å; L1387-V1554 VanDerWaalsContact CD1-CG1 3.41Å; L1387-V1554 HydrophobicContact CG-CG1 3.91Å; C1547-V1554 HydrophobicContact CB-CG2 4.34Å; C1551-V1554 HydrophobicContact CB-CG2 3.58Å; V1554-L1565 WeakPolarHBondContact O-CA 3.31Å; V1554-D1566 PolarHBondContact N-O 2.96Å; V1554-D1566 PolarHBondContact O-N 3.26Å; V1554-D1566 VanDerWaalsContact O-N 3.15Å; V1554-I1568 HydrophobicContact CG2-CG1 3.8Å; V1554-L1571 HydrophobicContact CB-CD1 3.96Å; V1554-L1571 HydrophobicContact CG1-CD1 4.2Å; V1554-L1654 HydrophobicContact CG1-CD1 4.37Å; V1554-L1654 HydrophobicContact CG2-CD1 4.4Å
1555G88.1Confident83.5Confident0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-106.7116.1173.700000111.6G1385 L1387 C1564G1385-G1555 PolarHBondContact O-N 2.79Å; L1387-G1555 PolarHBondContact N-O 2.95Å; G1555-C1564 CarbonylContact C-O 3.44Å; G1555-C1564 WeakPolarHBondContact CA-O 3.35Å
1556I87.8Confident84.1Confident0 Ų036.5 Ų36.50%019%0.186CC..EExtended strand (participates in β ladder)trans-88.1115.8174.5-60.2-178.7000108.9L1387 M1558 F1563 C1564 F1658 V1661L1387-I1556 HydrophobicContact CB-CG1 4.33Å; L1387-I1556 HydrophobicContact CD1-CG1 4.49Å; I1556-M1558 HydrophobicContact CG2-CG 4.48Å; I1556-F1563 PolarHBondContact O-N 2.8Å; I1556-C1564 PolarHBondContact N-O 2.87Å; I1556-F1658 HydrophobicContact CD1-CD2 4.48Å; I1556-F1658 HydrophobicContact CG2-CD2 4.11Å; I1556-F1658 HydrophobicContact CG2-CE2 4.2Å; I1556-V1661 HydrophobicContact CG2-CG1 4.45Å
1557L86.1Confident84.5Confident0 Ų039.2 Ų39.20%020%0.203CC..EExtended strand (participates in β ladder)trans-97126.6-177.3-159.777.1000111I1374 L1387 G1388 P1389 A1392 K1394 I1397 K1561 F1562I1374-L1557 HydrophobicContact CD1-CD1 3.51Å; L1387-L1557 WeakPolarHBondContact O-CA 3.47Å; L1387-L1557 WeakPolarHBondContact O-CB 3.03Å; L1387-L1557 PolarHBondContact O-N 2.83Å; G1388-L1557 WeakPolarHBondContact CA-O 3.32Å; P1389-L1557 WeakPolarHBondContact CD-O 3.46Å; A1392-L1557 HydrophobicContact CB-CB 4.39Å; A1392-L1557 HydrophobicContact CB-CD2 4.23Å; A1392-L1557 HydrophobicContact CB-CG 4.39Å; A1392-L1557 WeakPolarHBondContact CB-O 2.88Å; A1392-L1557 WeakPolarHBondContact O-CD2 3.34Å; K1394-L1557 HydrophobicContact CG-CD2 3.87Å; I1397-L1557 HydrophobicContact CD1-CD1 3.89Å; I1397-L1557 HydrophobicContact CD1-CD2 3.69Å; I1397-L1557 HydrophobicContact CD1-CG 4.49Å; L1557-K1561 CarbonylContact C-O 3.57Å; L1557-K1561 WeakPolarHBondContact CA-O 3.36Å; L1557-K1561 WeakPolarHBondContact CD1-O 3.47Å; L1557-F1562 HydrophobicContact CD1-CD1 3.79Å; L1557-F1562 HydrophobicContact CD1-CE1 3.86Å; L1557-F1562 HydrophobicContact CD1-CG 4.32Å; L1557-F1562 HydrophobicContact CD1-CZ 4.47Å
1558M79.8Confident84.3Confident23 Ų2340.5 Ų40.511%0.11321%0.21CC..EExtended strand (participates in β ladder)trans-131.9128.2177.2-67.5-63.9-74.900109.3P1389 I1556 G1560 K1561 F1563 T1662 N1665P1389-M1558 VanDerWaalsContact CD-SD 3.54Å; P1389-M1558 HydrophobicContact CG-SD 3.92Å; I1556-M1558 HydrophobicContact CG2-CG 4.48Å; M1558-G1560 PolarHBondContact O-N 2.9Å; M1558-G1560 VanDerWaalsContact O-N 3.09Å; M1558-K1561 PolarHBondContact N-O 2.7Å; M1558-K1561 PolarHBondContact O-N 2.99Å; M1558-K1561 VanDerWaalsContact O-O 3.07Å; M1558-F1563 HydrophobicContact CB-CB 4.48Å; M1558-F1563 HydrophobicContact CG-CB 4.08Å; M1558-T1662 HydrophobicContact CE-CG2 3.96Å; M1558-T1662 HydrophobicContact SD-CG2 3.85Å; M1558-N1665 HydrophobicContact CE-CB 4.14Å
1559S77.1Confident84.1Confident105 Ų10540.3 Ų40.373%0.73421%0.209SC*.THydrogen-bonded Turntrans47.541.2174.2-55.80000115
1560G77.2Confident84.1Confident1 Ų138.4 Ų38.41%0.0120%0.203CC..THydrogen-bonded Turntrans81.37.9179.900000116A1370 V1371 D1372 A1392 M1558A1370-G1560 WeakPolarHBondContact O-CA 3.46Å; V1371-G1560 CarbonylContact C-O 3.58Å; V1371-G1560 WeakPolarHBondContact CA-O 3.37Å; D1372-G1560 PolarHBondContact N-O 3.32Å; A1392-G1560 WeakPolarHBondContact O-CA 3.17Å; A1392-G1560 PolarHBondContact O-N 2.82Å; M1558-G1560 PolarHBondContact O-N 2.9Å; M1558-G1560 VanDerWaalsContact O-N 3.09Å
1561K85.1Confident83.8Confident104 Ų10438.1 Ų38.145%0.45220%0.202SC..EExtended strand (participates in β ladder)trans-129.4158.3179.2-63.7-172.3177.8-1780111.5D1372 L1557 M1558D1372-K1561 HydrophobicContact CB-CG 4.34Å; D1372-K1561 WeakPolarHBondContact O-CE 3.47Å; D1372-K1561 WeakPolarHBondContact OD2-CE 3.42Å; D1372-K1561 IonicContact OD2-NZ 3.13Å; D1372-K1561 PolarHBondContact OD2-NZ 3.48Å; L1557-K1561 CarbonylContact C-O 3.57Å; L1557-K1561 WeakPolarHBondContact CA-O 3.36Å; L1557-K1561 WeakPolarHBondContact CD1-O 3.47Å; M1558-K1561 PolarHBondContact N-O 2.7Å; M1558-K1561 PolarHBondContact O-N 2.99Å; M1558-K1561 VanDerWaalsContact O-O 3.07Å
1562F85Confident83.3Confident46 Ų4638.9 Ų38.920%0.20220%0.204CC..EExtended strand (participates in β ladder)trans-77.2130.1164.9-75.8-54.9000110.3I1374 F1376 L1386 L1557 L1565I1374-F1562 HydrophobicContact CG2-CD2 3.89Å; I1374-F1562 HydrophobicContact CG2-CE2 3.52Å; I1374-F1562 HydrophobicContact CG2-CZ 4.41Å; F1376-F1562 HydrophobicContact CB-CE2 4.03Å; F1376-F1562 AromaticContact CD1-CE2 3.78Å; F1376-F1562 HydrophobicContact CD1-CE2 3.78Å; F1376-F1562 HydrophobicContact CD1-CZ 4.2Å; F1376-F1562 HydrophobicContact CG-CE2 4.16Å; L1386-F1562 HydrophobicContact CD2-CE1 3.91Å; L1386-F1562 HydrophobicContact CD2-CZ 3.75Å; L1557-F1562 HydrophobicContact CD1-CD1 3.79Å; L1557-F1562 HydrophobicContact CD1-CE1 3.86Å; L1557-F1562 HydrophobicContact CD1-CG 4.32Å; L1557-F1562 HydrophobicContact CD1-CZ 4.47Å; F1562-L1565 HydrophobicContact CE2-CD2 4.46Å
1563F82.5Confident82.6Confident82 Ų8239.3 Ų39.336%0.3621%0.206SC..EExtended strand (participates in β ladder)trans-83-42.5167.3179.5-89000110.5I1556 M1558 F1575 V1661I1556-F1563 PolarHBondContact O-N 2.8Å; M1558-F1563 HydrophobicContact CB-CB 4.48Å; M1558-F1563 HydrophobicContact CG-CB 4.08Å; F1563-F1575 HydrophobicContact CD1-CZ 4.46Å; F1563-F1575 AromaticContact CE1-CE1 3.75Å; F1563-F1575 HydrophobicContact CE1-CE1 3.75Å; F1563-F1575 AromaticContact CE1-CZ 3.84Å; F1563-F1575 HydrophobicContact CE1-CZ 3.84Å; F1563-F1575 HydrophobicContact CZ-CE1 4.4Å; F1563-V1661 HydrophobicContact CD1-CG1 3.48Å; F1563-V1661 VanDerWaalsContact CD1-CG1 3.48Å; F1563-V1661 HydrophobicContact CD1-CG2 4.29Å; F1563-V1661 HydrophobicContact CD2-CG1 4.24Å; F1563-V1661 HydrophobicContact CE1-CB 4.22Å; F1563-V1661 HydrophobicContact CE1-CG1 3.47Å; F1563-V1661 VanDerWaalsContact CE1-CG1 3.47Å; F1563-V1661 HydrophobicContact CE1-CG2 3.69Å; F1563-V1661 HydrophobicContact CE2-CG1 4.23Å; F1563-V1661 HydrophobicContact CG-CG1 3.88Å; F1563-V1661 HydrophobicContact CZ-CG1 3.86Å; F1563-V1661 HydrophobicContact CZ-CG2 4.3Å
1564C85.5Confident81.8Confident11 Ų1144.9 Ų44.97%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-151153.1171.7610000110.6G1555 I1556 L1571 F1575G1555-C1564 CarbonylContact C-O 3.44Å; G1555-C1564 WeakPolarHBondContact CA-O 3.35Å; I1556-C1564 PolarHBondContact N-O 2.87Å; C1564-L1571 HydrophobicContact CB-CD2 4.01Å; C1564-L1571 VanDerWaalsContact SG-CD2 3.6Å; C1564-F1575 HydrophobicContact CB-CE2 3.88Å; C1564-F1575 HydrophobicContact CB-CZ 4.03Å
1565L87.6Confident81.1Confident50 Ų5047 Ų4726%0.26224%0.237SC..EExtended strand (participates in β ladder)trans-145.1107.4176.117162.1000107.7F1376 L1384 V1554 F1562F1376-L1565 HydrophobicContact CB-CD2 3.8Å; L1384-L1565 HydrophobicContact CD1-CD1 3.59Å; L1384-L1565 HydrophobicContact CD2-CD1 4.46Å; V1554-L1565 WeakPolarHBondContact O-CA 3.31Å; F1562-L1565 HydrophobicContact CE2-CD2 4.46Å
1566D86.8Confident80Confident48 Ų4847.3 Ų47.326%0.25724%0.24SC..EExtended strand (participates in β ladder)trans-160.6176.2-172.7-146.4-32.5000111.2R1553 V1554 A1570 L1571R1553-D1566 CarbonylContact C-O 3.45Å; R1553-D1566 WeakPolarHBondContact CA-O 3.34Å; V1554-D1566 PolarHBondContact N-O 2.96Å; V1554-D1566 PolarHBondContact O-N 3.26Å; V1554-D1566 VanDerWaalsContact O-N 3.15Å; D1566-A1570 HydrophobicContact CB-CB 4.23Å; D1566-A1570 WeakPolarHBondContact OD1-CB 3.35Å; D1566-L1571 HydrophobicContact CB-CD2 3.66Å; D1566-L1571 HydrophobicContact CB-CG 3.98Å
1567T85.2Confident78.9Confident60 Ų6052.2 Ų52.237%0.36826%0.263SS..EExtended strand (participates in β ladder)trans-67.8151.2169.863.60000111.4N1552 R1553 Q1569 A1570 L1571N1552-T1567 WeakPolarHBondContact O-CA 3.4Å; R1553-T1567 HydrophobicContact CG-CG2 3.92Å; T1567-Q1569 PolarHBondContact O-N 3.31Å; T1567-A1570 PolarHBondContact O-N 3.3Å; T1567-A1570 VanDerWaalsContact O-N 3.08Å; T1567-A1570 WeakPolarHBondContact OG1-CB 3.38Å; T1567-A1570 PolarHBondContact OG1-N 3.2Å; T1567-L1571 WeakPolarHBondContact O-CG 3.46Å; T1567-L1571 PolarHBondContact O-N 3.43Å
1568I79.9Confident78.1Confident26 Ų2652.3 Ų52.313%0.13326%0.263CS..Hα-helixtrans-53-44.2-179.9-62.7155.4000111.4C1547 E1548 C1551 V1554 L1571 K1572 L1654C1547-I1568 WeakPolarHBondContact O-CD1 3.44Å; E1548-I1568 HydrophobicContact CG-CG2 4.46Å; C1551-I1568 HydrophobicContact CB-CD1 4.2Å; C1551-I1568 WeakPolarHBondContact O-CD1 3.39Å; V1554-I1568 HydrophobicContact CG2-CG1 3.8Å; I1568-L1571 PolarHBondContact O-N 3.44Å; I1568-K1572 HydrophobicContact CG2-CD 4.13Å; I1568-K1572 HydrophobicContact CG2-CG 4.45Å; I1568-K1572 WeakPolarHBondContact O-CB 3.3Å; I1568-K1572 WeakPolarHBondContact O-CG 3.18Å; I1568-K1572 PolarHBondContact O-N 2.81Å; I1568-L1654 HydrophobicContact CG1-CD1 4.43Å; I1568-L1654 HydrophobicContact CG2-CD1 4.23Å
1569Q75.9Confident77.7Confident63 Ų6353.2 Ų53.229%0.29427%0.267SS..Hα-helixtrans-72.8-31.4-177.8-17068.4-30.900112.5T1567 N1573T1567-Q1569 PolarHBondContact O-N 3.31Å; Q1569-N1573 WeakPolarHBondContact O-CB 3.13Å; Q1569-N1573 PolarHBondContact O-N 2.99Å; Q1569-N1573 PolarHBondContact O-ND2 2.9Å
1570A79.7Confident77.4Confident29 Ų2949.9 Ų49.924%0.2424%0.238CC..Hα-helixtrans-67.3-4317000000111.4D1566 T1567 K1572 N1573 R1574D1566-A1570 HydrophobicContact CB-CB 4.23Å; D1566-A1570 WeakPolarHBondContact OD1-CB 3.35Å; T1567-A1570 PolarHBondContact O-N 3.3Å; T1567-A1570 VanDerWaalsContact O-N 3.08Å; T1567-A1570 WeakPolarHBondContact OG1-CB 3.38Å; T1567-A1570 PolarHBondContact OG1-N 3.2Å; A1570-K1572 PolarHBondContact O-N 3.36Å; A1570-N1573 PolarHBondContact O-N 2.83Å; A1570-R1574 WeakPolarHBondContact O-CB 3.42Å; A1570-R1574 PolarHBondContact O-N 3.23Å
1571L78.8Confident77.4Confident0 Ų049.9 Ų49.90%024%0.238CC..Hα-helixtrans-59.8-45.9172.6-63.5-179.3000111.5V1554 C1564 D1566 T1567 I1568 N1573 R1574 F1575V1554-L1571 HydrophobicContact CB-CD1 3.96Å; V1554-L1571 HydrophobicContact CG1-CD1 4.2Å; C1564-L1571 HydrophobicContact CB-CD2 4.01Å; C1564-L1571 VanDerWaalsContact SG-CD2 3.6Å; D1566-L1571 HydrophobicContact CB-CD2 3.66Å; D1566-L1571 HydrophobicContact CB-CG 3.98Å; T1567-L1571 WeakPolarHBondContact O-CG 3.46Å; T1567-L1571 PolarHBondContact O-N 3.43Å; I1568-L1571 PolarHBondContact O-N 3.44Å; L1571-N1573 VanDerWaalsContact C-N 3.28Å; L1571-N1573 PolarHBondContact O-N 3.2Å; L1571-R1574 PolarHBondContact O-N 3.45Å; L1571-F1575 HydrophobicContact CD2-CD2 4.11Å; L1571-F1575 HydrophobicContact CD2-CE2 3.84Å; L1571-F1575 PolarHBondContact O-N 3.42Å
1572K75.7Confident76.8Confident28 Ų2846.8 Ų46.812%0.12223%0.225CC..Hα-helixtrans-63.7-27.4176.9-76.4-175.6175.6-174.40114E1548 I1568 A1570 G1576 I1657E1548-K1572 WeakPolarHBondContact OE1-CE 3.45Å; E1548-K1572 IonicContact OE1-NZ 2.69Å; E1548-K1572 PolarHBondContact OE1-NZ 3.08Å; E1548-K1572 IonicContact OE2-NZ 3.08Å; E1548-K1572 PolarHBondContact OE2-NZ 2.81Å; I1568-K1572 HydrophobicContact CG2-CD 4.13Å; I1568-K1572 HydrophobicContact CG2-CG 4.45Å; I1568-K1572 WeakPolarHBondContact O-CB 3.3Å; I1568-K1572 WeakPolarHBondContact O-CG 3.18Å; I1568-K1572 PolarHBondContact O-N 2.81Å; A1570-K1572 PolarHBondContact O-N 3.36Å; K1572-G1576 VanDerWaalsContact O-CA 3.31Å; K1572-G1576 WeakPolarHBondContact O-CA 3.39Å; K1572-G1576 PolarHBondContact O-N 3.5Å; K1572-I1657 HydrophobicContact CB-CD1 4.29Å; K1572-I1657 HydrophobicContact CG-CD1 3.81Å
1573N72.8Confident76.4Confident91 Ų9144.6 Ų44.649%0.48722%0.216SC..Hα-helixtrans-89.3-28.1173.8-76.9-39000113.9Q1569 A1570 L1571 K1623Q1569-N1573 WeakPolarHBondContact O-CB 3.13Å; Q1569-N1573 PolarHBondContact O-N 2.99Å; Q1569-N1573 PolarHBondContact O-ND2 2.9Å; A1570-N1573 PolarHBondContact O-N 2.83Å; L1571-N1573 VanDerWaalsContact C-N 3.28Å; L1571-N1573 PolarHBondContact O-N 3.2Å; N1573-K1623 PolarHBondContact OD1-NZ 2.92Å
1574R73.1Confident75.8Confident176 Ų17642 Ų4266%0.66421%0.205SC*.Hα-helixtrans-82.8-38-178.2-175.7174.4-178.2167.70.5113.1A1570 L1571A1570-R1574 WeakPolarHBondContact O-CB 3.42Å; A1570-R1574 PolarHBondContact O-N 3.23Å; L1571-R1574 PolarHBondContact O-N 3.45Å
1575F74.5Confident75.2Confident45 Ų4542 Ų4220%0.19720%0.203CC..THydrogen-bonded Turntrans-112-28.1-177.2-61.1-73.9000113.3F1563 C1564 L1571 Q1577 I1657 V1661F1563-F1575 HydrophobicContact CD1-CZ 4.46Å; F1563-F1575 AromaticContact CE1-CE1 3.75Å; F1563-F1575 HydrophobicContact CE1-CE1 3.75Å; F1563-F1575 AromaticContact CE1-CZ 3.84Å; F1563-F1575 HydrophobicContact CE1-CZ 3.84Å; F1563-F1575 HydrophobicContact CZ-CE1 4.4Å; C1564-F1575 HydrophobicContact CB-CE2 3.88Å; C1564-F1575 HydrophobicContact CB-CZ 4.03Å; L1571-F1575 HydrophobicContact CD2-CD2 4.11Å; L1571-F1575 HydrophobicContact CD2-CE2 3.84Å; L1571-F1575 PolarHBondContact O-N 3.42Å; F1575-Q1577 PolarHBondContact O-N 2.91Å; F1575-I1657 HydrophobicContact CB-CG1 4.33Å; F1575-I1657 HydrophobicContact CB-CG2 3.66Å; F1575-I1657 HydrophobicContact CD2-CG2 4.38Å; F1575-I1657 HydrophobicContact CG-CG2 4.25Å; F1575-V1661 HydrophobicContact CD1-CG2 4.29Å
1576G64.3Low74.1Confident6 Ų645.9 Ų45.96%0.06222%0.22CC..  trans-70.897.6175.500000111.9K1572 G1578K1572-G1576 VanDerWaalsContact O-CA 3.31Å; K1572-G1576 WeakPolarHBondContact O-CA 3.39Å; K1572-G1576 PolarHBondContact O-N 3.5Å; G1576-G1578 PolarHBondContact O-N 3.18Å
1577Q64.4Low72.9Confident103 Ų10350.2 Ų50.248%0.48124%0.244SC..  trans-68.20.6-172.8-60.3-166.83.400115.3F1575 Y1608 K1623F1575-Q1577 PolarHBondContact O-N 2.91Å; Q1577-Y1608 PolarHBondContact OE1-OH 2.81Å; Q1577-K1623 PolarHBondContact O-N 3.07Å
1578G68.6Low71.4Confident1 Ų149.3 Ų49.31%0.0124%0.239CC..EExtended strand (participates in β ladder)trans157-124.116300000112.5G1576 L1621 N1652G1576-G1578 PolarHBondContact O-N 3.18Å; G1578-L1621 VanDerWaalsContact CA-O 3.3Å; G1578-L1621 WeakPolarHBondContact CA-O 3.44Å; G1578-N1652 PolarHBondContact O-OD1 3.37Å
1579H71.7Confident70.4Confident42 Ų4254.5 Ų54.519%0.19426%0.263CS..EExtended strand (participates in β ladder)trans-107.6156.7175.4-55110.7000110Q1620 L1621 L1649 N1650H1579-Q1620 PolarHBondContact O-NE2 3.44Å; H1579-L1621 HydrophobicContact CB-CB 4.27Å; H1579-L1621 HydrophobicContact CB-CD1 3.99Å; H1579-L1621 PolarHBondContact N-O 2.92Å; H1579-L1621 VanDerWaalsContact N-O 3.12Å; H1579-L1621 WeakPolarHBondContact O-CB 3.48Å; H1579-L1621 PolarHBondContact O-N 3.34Å; H1579-L1649 HydrophobicContact CB-CD2 4.04Å; H1579-N1650 CarbonylContact C-O 3.58Å; H1579-N1650 WeakPolarHBondContact CA-O 3.14Å
1580R71.9Confident69.7Low36 Ų3655.9 Ų55.914%0.13628%0.28CS..EExtended strand (participates in β ladder)trans-113.8125.4171.4179.3-174.8-74.4164.3-2.5109.9M1582 F1619 L1649 N1650 D1656R1580-M1582 HydrophobicContact CG-CG 3.81Å; R1580-F1619 CarbonylContact C-O 3.54Å; R1580-F1619 VanDerWaalsContact CA-O 3.29Å; R1580-F1619 WeakPolarHBondContact CA-O 3.44Å; R1580-L1649 CarbonylContact O-C 3.47Å; R1580-L1649 WeakPolarHBondContact O-CA 3.49Å; R1580-N1650 PolarHBondContact N-O 3.44Å; R1580-N1650 PolarHBondContact O-N 3.32Å; R1580-D1656 VanDerWaalsContact CZ-CG 3.49Å; R1580-D1656 IonicContact CZ-OD1 3.56Å; R1580-D1656 IonicContact CZ-OD2 2.77Å; R1580-D1656 IonicContact NH1-OD1 2.73Å; R1580-D1656 PolarHBondContact NH1-OD1 3.16Å; R1580-D1656 IonicContact NH1-OD2 3.42Å; R1580-D1656 PolarHBondContact NH1-OD2 2.94Å; R1580-D1656 VanDerWaalsContact NH1-OD2 3.08Å; R1580-D1656 IonicContact NH2-OD1 2.7Å; R1580-D1656 PolarHBondContact NH2-OD1 3.02Å; R1580-D1656 IonicContact NH2-OD2 3.85Å
1581M77.1Confident69.2Low0 Ų057.7 Ų57.70%029%0.29CS..EExtended strand (participates in β ladder)trans-97123.6165.8177.6171.966.100108.8I1583 V1600 L1604 F1619 L1621 A1635 S1648 L1649M1581-I1583 HydrophobicContact CE-CD1 3.82Å; M1581-I1583 HydrophobicContact CG-CD1 4.06Å; M1581-I1583 HydrophobicContact CG-CG1 4.09Å; M1581-I1583 HydrophobicContact SD-CD1 3.98Å; M1581-I1583 HydrophobicContact SD-CG1 4.47Å; M1581-V1600 HydrophobicContact CE-CG1 3.53Å; M1581-V1600 HydrophobicContact CE-CG2 4.24Å; M1581-L1604 HydrophobicContact CE-CD1 3.78Å; M1581-F1619 HydrophobicContact CB-CB 4.38Å; M1581-F1619 HydrophobicContact CE-CB 4.3Å; M1581-F1619 HydrophobicContact CE-CD2 4.17Å; M1581-F1619 HydrophobicContact CE-CG 4.35Å; M1581-F1619 PolarHBondContact N-O 3.42Å; M1581-F1619 PolarHBondContact O-N 2.86Å; M1581-L1621 HydrophobicContact CB-CD1 4.03Å; M1581-A1635 HydrophobicContact SD-CB 3.99Å; M1581-S1648 WeakPolarHBondContact CA-O 3.37Å; M1581-L1649 HydrophobicContact CB-CD1 4.4Å; M1581-L1649 HydrophobicContact CB-CG 4.37Å
1582M72.8Confident68.6Low39 Ų3961.8 Ų61.819%0.19231%0.31CS..EExtended strand (participates in β ladder)trans-113128.1173.1-50.8-168-64.200108.4R1580 K1618 C1647 S1648R1580-M1582 HydrophobicContact CG-CG 3.81Å; M1582-K1618 HydrophobicContact CB-CG 4.36Å; M1582-K1618 HydrophobicContact CG-CB 4.38Å; M1582-K1618 HydrophobicContact CG-CD 4.23Å; M1582-K1618 HydrophobicContact CG-CG 3.91Å; M1582-K1618 HydrophobicContact SD-CD 3.75Å; M1582-K1618 HydrophobicContact SD-CG 4.05Å; M1582-C1647 WeakPolarHBondContact O-CA 3.47Å; M1582-S1648 WeakPolarHBondContact CE-OG 3.37Å; M1582-S1648 PolarHBondContact N-O 3.44Å; M1582-S1648 PolarHBondContact O-N 3.06Å
1583I76.5Confident68.3Low0 Ų060.7 Ų60.70%031%0.305CS..EExtended strand (participates in β ladder)trans-120.7120.7179.8-65.3151.8000107.8M1581 M1596 V1600 M1616 A1617 F1619 V1638 V1644 C1647M1581-I1583 HydrophobicContact CE-CD1 3.82Å; M1581-I1583 HydrophobicContact CG-CD1 4.06Å; M1581-I1583 HydrophobicContact CG-CG1 4.09Å; M1581-I1583 HydrophobicContact SD-CD1 3.98Å; M1581-I1583 HydrophobicContact SD-CG1 4.47Å; I1583-M1596 HydrophobicContact CB-SD 4.16Å; I1583-M1596 HydrophobicContact CG2-CE 4.42Å; I1583-M1596 HydrophobicContact CG2-SD 3.41Å; I1583-M1596 WeakPolarHBondContact CG2-SD 3.22Å; I1583-V1600 HydrophobicContact CD1-CG2 3.91Å; I1583-M1616 VanDerWaalsContact O-CA 3.3Å; I1583-M1616 WeakPolarHBondContact O-CA 3.42Å; I1583-A1617 PolarHBondContact N-O 3.34Å; I1583-A1617 PolarHBondContact O-N 3.36Å; I1583-F1619 HydrophobicContact CD1-CD2 3.97Å; I1583-F1619 HydrophobicContact CD1-CE2 3.72Å; I1583-V1638 HydrophobicContact CD1-CG1 3.92Å; I1583-V1638 HydrophobicContact CG1-CG1 4.45Å; I1583-V1638 HydrophobicContact CG2-CG1 4.21Å; I1583-V1644 HydrophobicContact CG2-CB 4.48Å; I1583-V1644 HydrophobicContact CG2-CG1 3.94Å; I1583-V1644 HydrophobicContact CG2-CG2 3.73Å; I1583-C1647 VanDerWaalsContact CG1-SG 3.57Å
1584K69.4Low68.5Low29 Ų2962.3 Ų62.313%0.12631%0.309CS..EExtended strand (participates in β ladder)trans-106.3129.1173.7-167.1-174.1177.3-155.10108.9T1615 M1616 V1644 E1645 T1646K1584-T1615 CarbonylContact C-O 3.55Å; K1584-T1615 WeakPolarHBondContact CA-O 3.42Å; K1584-M1616 HydrophobicContact CB-CE 4.38Å; K1584-M1616 HydrophobicContact CG-CE 4.48Å; K1584-V1644 CarbonylContact O-C 3.57Å; K1584-V1644 WeakPolarHBondContact O-CA 3.34Å; K1584-V1644 WeakPolarHBondContact O-CG1 3.49Å; K1584-E1645 WeakPolarHBondContact CD-OE2 3.2Å; K1584-E1645 WeakPolarHBondContact CE-OE2 3.34Å; K1584-E1645 HydrophobicContact CG-CB 4.49Å; K1584-E1645 IonicContact NZ-OE1 3.74Å; K1584-E1645 PolarHBondContact NZ-OE1 3.16Å; K1584-E1645 IonicContact NZ-OE2 3.99Å; K1584-E1645 PolarHBondContact NZ-OE2 3.02Å; K1584-E1645 PolarHBondContact O-N 3.2Å; K1584-T1646 WeakPolarHBondContact CB-OG1 3.38Å; K1584-T1646 PolarHBondContact N-O 3.23Å; K1584-T1646 PolarHBondContact O-N 3.21Å
1585L72.8Confident68.7Low9 Ų959.5 Ų59.55%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-101.3137.6-178.7-74.1169.7000110.5N1587 C1588 V1593 M1596 T1615 F1642 V1644L1585-N1587 VanDerWaalsContact C-N 3.31Å; L1585-N1587 PolarHBondContact O-N 3.36Å; L1585-C1588 WeakPolarHBondContact CB-SG 3.23Å; L1585-V1593 HydrophobicContact CD1-CG2 4.13Å; L1585-M1596 HydrophobicContact CD1-CE 4.08Å; L1585-M1596 HydrophobicContact CD1-SD 3.65Å; L1585-M1596 HydrophobicContact CD2-SD 4.01Å; L1585-M1596 HydrophobicContact CG-SD 3.84Å; L1585-T1615 PolarHBondContact N-O 2.66Å; L1585-F1642 HydrophobicContact CD2-CB 3.85Å; L1585-V1644 HydrophobicContact CD2-CG2 3.87Å
1586Q63.8Low68.9Low132 Ų13257.4 Ų57.462%0.61730%0.295SS*.SBendtrans-69.7-25.3-169.7-166.3-178.621.300113.8K1643 E1645Q1586-K1643 WeakPolarHBondContact CB-O 3.43Å; Q1586-K1643 PolarHBondContact N-O 3.32Å; Q1586-E1645 HydrophobicContact CB-CB 4.24Å
1587N61.4Low69.6Low140 Ų14057.7 Ų57.775%0.74930%0.295SS*.SBendtrans-161134.2172.3-116.1-39.4000108.2L1585L1585-N1587 VanDerWaalsContact C-N 3.31Å; L1585-N1587 PolarHBondContact O-N 3.36Å
1588C54.4Low70.5Confident40 Ų4056.2 Ų56.227%0.2730%0.296SS..  trans-125.3115.2-171.7-77.80000113.5L1585 V1593 L1614L1585-C1588 WeakPolarHBondContact CB-SG 3.23Å; C1588-V1593 HydrophobicContact CB-CG2 3.85Å; C1588-V1593 WeakPolarHBondContact SG-CG2 3.41Å; C1588-L1614 WeakPolarHBondContact CB-O 3.27Å; C1588-L1614 PolarHBondContact SG-O 2.94Å
1589Q58.6Low71.2Confident135 Ų13558.7 Ų58.763%0.63131%0.305SS*.  trans-77.8148142.5-66.9-175.9-5.100109S1591 Q1592Q1589-S1591 PolarHBondContact O-N 3.49Å; Q1589-S1591 VanDerWaalsContact O-N 3.14Å; Q1589-Q1592 PolarHBondContact O-N 2.98Å
1590S62.3Low71.7Confident93 Ų9356.7 Ų56.765%0.6530%0.296SS*.Hα-helixtrans-62.6-22.1-175.351.30000114.1
1591S67.6Low72.2Confident66 Ų6658.4 Ų58.446%0.46231%0.307SS..Hα-helixtrans-63.2-53.3172.646.20000112.9Q1589 V1593 H1594 E1595Q1589-S1591 PolarHBondContact O-N 3.49Å; Q1589-S1591 VanDerWaalsContact O-N 3.14Å; S1591-V1593 VanDerWaalsContact C-N 3.29Å; S1591-V1593 PolarHBondContact O-N 3.03Å; S1591-H1594 WeakPolarHBondContact O-CA 3.4Å; S1591-H1594 WeakPolarHBondContact O-CB 3.12Å; S1591-H1594 PolarHBondContact O-N 3.38Å; S1591-E1595 PolarHBondContact O-N 3.31Å
1592Q67.9Low72.3Confident87 Ų8761.7 Ų61.741%0.40734%0.341SS..Hα-helixtrans-62.5-35.1-175.9-68.8175.2-24.300112.4Q1589 H1594 M1596Q1589-Q1592 PolarHBondContact O-N 2.98Å; Q1592-H1594 VanDerWaalsContact C-N 3.29Å; Q1592-H1594 PolarHBondContact O-N 3.44Å; Q1592-M1596 WeakPolarHBondContact O-CB 3.28Å; Q1592-M1596 PolarHBondContact O-N 2.91Å
1593V69.2Low72.7Confident4 Ų465.5 Ų65.52%0.02436%0.357CS..Hα-helixtrans-61.9-39.6172.8-175.90000110.9L1585 C1588 S1591 I1597L1585-V1593 HydrophobicContact CD1-CG2 4.13Å; C1588-V1593 HydrophobicContact CB-CG2 3.85Å; C1588-V1593 WeakPolarHBondContact SG-CG2 3.41Å; S1591-V1593 VanDerWaalsContact C-N 3.29Å; S1591-V1593 PolarHBondContact O-N 3.03Å; V1593-I1597 HydrophobicContact CG1-CD1 3.91Å; V1593-I1597 WeakPolarHBondContact O-CB 3.48Å; V1593-I1597 WeakPolarHBondContact O-CD1 3.38Å; V1593-I1597 WeakPolarHBondContact O-CG1 3.4Å; V1593-I1597 PolarHBondContact O-N 2.77Å
1594H75.8Confident72.6Confident125 Ų12565.6 Ų65.658%0.57936%0.357SS*.Hα-helixtrans-72.4-42.1-178.8-16431.5000111.9S1591 Q1592 I1597 S1598S1591-H1594 WeakPolarHBondContact O-CA 3.4Å; S1591-H1594 WeakPolarHBondContact O-CB 3.12Å; S1591-H1594 PolarHBondContact O-N 3.38Å; Q1592-H1594 VanDerWaalsContact C-N 3.29Å; Q1592-H1594 PolarHBondContact O-N 3.44Å; H1594-I1597 PolarHBondContact O-N 3.16Å; H1594-S1598 PolarHBondContact O-N 3.34Å; H1594-S1598 PolarHBondContact O-OG 2.83Å
1595E77.1Confident72.6Confident117 Ų11768.3 Ų68.355%0.54738%0.378SS..Hα-helixtrans-61.9-42.8174.7-172.4177.8-155.600112.3S1591 S1598 Y1599 F1642S1591-E1595 PolarHBondContact O-N 3.31Å; E1595-S1598 WeakPolarHBondContact CA-OG 3.43Å; E1595-S1598 PolarHBondContact O-N 3.37Å; E1595-S1598 PolarHBondContact O-OG 3.17Å; E1595-Y1599 WeakPolarHBondContact O-CB 3.24Å; E1595-Y1599 PolarHBondContact O-N 2.75Å; E1595-F1642 HydrophobicContact CB-CE1 4.21Å; E1595-F1642 HydrophobicContact CG-CE1 3.96Å; E1595-F1642 HydrophobicContact CG-CZ 4.12Å
1596M79.5Confident72.4Confident1 Ų169.2 Ų69.21%0.00539%0.389CS..Hα-helixtrans-62.3-42172.1-179.6-158.466.300111.8I1583 L1585 Q1592 Y1599 V1600 A1617 F1619 V1638 F1642I1583-M1596 HydrophobicContact CB-SD 4.16Å; I1583-M1596 HydrophobicContact CG2-CE 4.42Å; I1583-M1596 HydrophobicContact CG2-SD 3.41Å; I1583-M1596 WeakPolarHBondContact CG2-SD 3.22Å; L1585-M1596 HydrophobicContact CD1-CE 4.08Å; L1585-M1596 HydrophobicContact CD1-SD 3.65Å; L1585-M1596 HydrophobicContact CD2-SD 4.01Å; L1585-M1596 HydrophobicContact CG-SD 3.84Å; Q1592-M1596 WeakPolarHBondContact O-CB 3.28Å; Q1592-M1596 PolarHBondContact O-N 2.91Å; M1596-Y1599 PolarHBondContact O-N 3.06Å; M1596-V1600 WeakPolarHBondContact O-CG2 3.42Å; M1596-V1600 PolarHBondContact O-N 3.24Å; M1596-A1617 HydrophobicContact CE-CB 3.5Å; M1596-F1619 HydrophobicContact CE-CE2 4.41Å; M1596-F1619 HydrophobicContact CE-CZ 4.45Å; M1596-V1638 HydrophobicContact CG-CG1 4.06Å; M1596-V1638 HydrophobicContact SD-CG1 4.44Å; M1596-F1642 HydrophobicContact CB-CD1 3.95Å; M1596-F1642 HydrophobicContact CB-CD2 4.26Å; M1596-F1642 HydrophobicContact CB-CE1 3.91Å; M1596-F1642 HydrophobicContact CB-CE2 4.22Å; M1596-F1642 HydrophobicContact CB-CG 4.14Å; M1596-F1642 HydrophobicContact CB-CZ 4.05Å; M1596-F1642 HydrophobicContact CG-CD2 4.13Å; M1596-F1642 HydrophobicContact CG-CE2 4.37Å; M1596-F1642 HydrophobicContact CG-CG 4.24Å
1597I79.1Confident73.1Confident13 Ų1363.6 Ų63.67%0.06737%0.365CS..Hα-helixtrans-62.7-44177.3-73.7164.7000111V1593 H1594 V1600 L1601 L1609 A1617 F1619V1593-I1597 HydrophobicContact CG1-CD1 3.91Å; V1593-I1597 WeakPolarHBondContact O-CB 3.48Å; V1593-I1597 WeakPolarHBondContact O-CD1 3.38Å; V1593-I1597 WeakPolarHBondContact O-CG1 3.4Å; V1593-I1597 PolarHBondContact O-N 2.77Å; H1594-I1597 PolarHBondContact O-N 3.16Å; I1597-V1600 PolarHBondContact O-N 2.79Å; I1597-L1601 HydrophobicContact CG2-CD1 3.71Å; I1597-L1601 HydrophobicContact CG2-CG 4.41Å; I1597-L1601 WeakPolarHBondContact O-CB 3.37Å; I1597-L1601 VanDerWaalsContact O-CG 3.24Å; I1597-L1601 WeakPolarHBondContact O-CG 3.39Å; I1597-L1601 PolarHBondContact O-N 3.34Å; I1597-L1609 HydrophobicContact CD1-CD1 4.3Å; I1597-L1609 HydrophobicContact CD1-CD2 3.98Å; I1597-L1609 HydrophobicContact CG1-CD1 4.27Å; I1597-L1609 HydrophobicContact CG2-CD2 4.4Å; I1597-A1617 HydrophobicContact CD1-CB 4.46Å; I1597-A1617 HydrophobicContact CG1-CB 4.23Å; I1597-F1619 HydrophobicContact CB-CZ 4.44Å; I1597-F1619 HydrophobicContact CG1-CE1 4.32Å; I1597-F1619 HydrophobicContact CG1-CZ 3.87Å; I1597-F1619 HydrophobicContact CG2-CE1 4.49Å
1598S82.9Confident74Confident71 Ų7161.2 Ų61.250%0.49735%0.345SS..Hα-helixtrans-67.5-37.4176.453.70000112.5H1594 E1595 G1602H1594-S1598 PolarHBondContact O-N 3.34Å; H1594-S1598 PolarHBondContact O-OG 2.83Å; E1595-S1598 WeakPolarHBondContact CA-OG 3.43Å; E1595-S1598 PolarHBondContact O-N 3.37Å; E1595-S1598 PolarHBondContact O-OG 3.17Å; S1598-G1602 PolarHBondContact O-N 2.94Å
1599Y83.6Confident75.1Confident53 Ų5362.1 Ų62.121%0.20835%0.348CS..Hα-helixtrans-59.8-49.5173.4-173.9-82.3000112.1E1595 M1596 G1602 K1603 V1638 H1641 F1642E1595-Y1599 WeakPolarHBondContact O-CB 3.24Å; E1595-Y1599 PolarHBondContact O-N 2.75Å; M1596-Y1599 PolarHBondContact O-N 3.06Å; Y1599-G1602 PolarHBondContact O-N 2.9Å; Y1599-K1603 HydrophobicContact CD1-CG 4.16Å; Y1599-K1603 HydrophobicContact CE1-CG 3.81Å; Y1599-K1603 WeakPolarHBondContact O-CB 3.31Å; Y1599-K1603 PolarHBondContact O-N 3.4Å; Y1599-V1638 HydrophobicContact CD1-CG2 3.7Å; Y1599-V1638 HydrophobicContact CE1-CG2 3.8Å; Y1599-H1641 PolarHBondContact OH-CE1 3.08Å; Y1599-F1642 HydrophobicContact CD1-CE2 4.26Å; Y1599-F1642 HydrophobicContact CD2-CE2 4.25Å; Y1599-F1642 AromaticContact CG-CE2 3.9Å; Y1599-F1642 HydrophobicContact CG-CE2 3.9Å; Y1599-F1642 HydrophobicContact CG-CZ 4.38Å
1600V81.2Confident75.7Confident0 Ų058.1 Ų58.10%033%0.332CS..Hα-helixtrans-62.6-47.1179.9169.40000111.5M1581 I1583 M1596 I1597 G1602 K1603 L1604 F1619 V1638M1581-V1600 HydrophobicContact CE-CG1 3.53Å; M1581-V1600 HydrophobicContact CE-CG2 4.24Å; I1583-V1600 HydrophobicContact CD1-CG2 3.91Å; M1596-V1600 WeakPolarHBondContact O-CG2 3.42Å; M1596-V1600 PolarHBondContact O-N 3.24Å; I1597-V1600 PolarHBondContact O-N 2.79Å; V1600-G1602 VanDerWaalsContact C-N 3.32Å; V1600-G1602 PolarHBondContact O-N 3.39Å; V1600-K1603 PolarHBondContact O-N 2.98Å; V1600-L1604 HydrophobicContact CG1-CD1 4.29Å; V1600-L1604 PolarHBondContact O-N 3.1Å; V1600-L1604 VanDerWaalsContact O-N 3.16Å; V1600-F1619 HydrophobicContact CB-CD1 4.34Å; V1600-F1619 HydrophobicContact CB-CE1 3.81Å; V1600-F1619 HydrophobicContact CB-CE2 4.31Å; V1600-F1619 HydrophobicContact CB-CZ 3.78Å; V1600-F1619 HydrophobicContact CG1-CD1 3.48Å; V1600-F1619 VanDerWaalsContact CG1-CD1 3.48Å; V1600-F1619 HydrophobicContact CG1-CD2 4.03Å; V1600-F1619 HydrophobicContact CG1-CE1 3.46Å; V1600-F1619 VanDerWaalsContact CG1-CE1 3.46Å; V1600-F1619 HydrophobicContact CG1-CE2 4.01Å; V1600-F1619 HydrophobicContact CG1-CG 3.76Å; V1600-F1619 HydrophobicContact CG1-CZ 3.73Å; V1600-F1619 HydrophobicContact CG2-CE1 4.49Å; V1600-F1619 HydrophobicContact CG2-CE2 4.13Å; V1600-F1619 HydrophobicContact CG2-CZ 3.97Å; V1600-V1638 HydrophobicContact CG2-CG2 3.73Å
1601L82.3Confident75.8Confident72 Ų7255.7 Ų55.738%0.37731%0.312SS..Hα-helixtrans-68.3-31.1180-66.5173.1000112.5I1597 C1607 F1619I1597-L1601 HydrophobicContact CG2-CD1 3.71Å; I1597-L1601 HydrophobicContact CG2-CG 4.41Å; I1597-L1601 WeakPolarHBondContact O-CB 3.37Å; I1597-L1601 VanDerWaalsContact O-CG 3.24Å; I1597-L1601 WeakPolarHBondContact O-CG 3.39Å; I1597-L1601 PolarHBondContact O-N 3.34Å; L1601-C1607 WeakPolarHBondContact CD2-O 3.33Å; L1601-F1619 HydrophobicContact CD2-CD1 4.46Å; L1601-F1619 HydrophobicContact CG-CE1 4.45Å
1602G81.2Confident75.9Confident69 Ų6958.9 Ų58.971%0.71131%0.314SS*.Hα-helixtrans-74.7-30.6174.300000114S1598 Y1599 V1600S1598-G1602 PolarHBondContact O-N 2.94Å; Y1599-G1602 PolarHBondContact O-N 2.9Å; V1600-G1602 VanDerWaalsContact C-N 3.32Å; V1600-G1602 PolarHBondContact O-N 3.39Å
1603K79.6Confident75.7Confident119 Ų11956 Ų5652%0.51730%0.302SS..Hα-helixtrans-82.4-27.1179.3-83-74.9-172.8174.50114.5Y1599 V1600Y1599-K1603 HydrophobicContact CD1-CG 4.16Å; Y1599-K1603 HydrophobicContact CE1-CG 3.81Å; Y1599-K1603 WeakPolarHBondContact O-CB 3.31Å; Y1599-K1603 PolarHBondContact O-N 3.4Å; V1600-K1603 PolarHBondContact O-N 2.98Å
1604L75.1Confident75.3Confident2 Ų261.8 Ų61.81%0.0133%0.332CS..SBendtrans-121.696.3-170-71.1164.6000112.3M1581 V1600 G1606 C1607 L1621 T1626 E1630 A1631 C1634M1581-L1604 HydrophobicContact CE-CD1 3.78Å; V1600-L1604 HydrophobicContact CG1-CD1 4.29Å; V1600-L1604 PolarHBondContact O-N 3.1Å; V1600-L1604 VanDerWaalsContact O-N 3.16Å; L1604-G1606 PolarHBondContact O-N 2.82Å; L1604-C1607 HydrophobicContact CB-CB 3.59Å; L1604-C1607 WeakPolarHBondContact O-CB 3.31Å; L1604-C1607 PolarHBondContact O-N 2.73Å; L1604-L1621 HydrophobicContact CD1-CD2 3.78Å; L1604-L1621 HydrophobicContact CD2-CD2 4.49Å; L1604-T1626 HydrophobicContact CB-CG2 4.3Å; L1604-T1626 HydrophobicContact CD2-CG2 4.13Å; L1604-E1630 HydrophobicContact CD2-CB 4.43Å; L1604-A1631 HydrophobicContact CD2-CB 4.36Å; L1604-C1634 HydrophobicContact CD1-CB 3.68Å; L1604-C1634 WeakPolarHBondContact CD1-SG 3.29Å; L1604-C1634 HydrophobicContact CD2-CB 4Å; L1604-C1634 HydrophobicContact CG-CB 3.88Å
1605P69.1Low74.7Confident87 Ų8758 Ų5857%0.56532%0.317SS*.THydrogen-bonded Turntrans-66.1118.2-175.426.1-34000112.1R1625P1605-R1625 WeakPolarHBondContact O-CB 2.88Å
1606G69.9Low74.4Confident27 Ų2753.8 Ų53.828%0.27830%0.298SS..THydrogen-bonded Turntrans85.810.7-175.600000114.8L1604L1604-G1606 PolarHBondContact O-N 2.82Å
1607C76.5Confident74.2Confident15 Ų1553.8 Ų53.810%0.10130%0.298CS..  trans-71.9144.7159.1-1800000110.5L1601 L1604 Q1620 L1621L1601-C1607 WeakPolarHBondContact CD2-O 3.33Å; L1604-C1607 HydrophobicContact CB-CB 3.59Å; L1604-C1607 WeakPolarHBondContact O-CB 3.31Å; L1604-C1607 PolarHBondContact O-N 2.73Å; C1607-Q1620 WeakPolarHBondContact CA-O 3.3Å; C1607-L1621 HydrophobicContact CB-CD2 4.39Å
1608Y81Confident74Confident89 Ų8953.9 Ų53.935%0.34930%0.298SS..EExtended strand (participates in β ladder)trans-140.5149.2170.366.2-87.1000112.7Q1577 T1610 F1619 Q1620Q1577-Y1608 PolarHBondContact OE1-OH 2.81Å; Y1608-T1610 HydrophobicContact CD2-CG2 3.95Å; Y1608-T1610 HydrophobicContact CE2-CG2 3.53Å; Y1608-F1619 CarbonylContact O-C 3.58Å; Y1608-F1619 WeakPolarHBondContact O-CA 3.43Å; Y1608-Q1620 HydrophobicContact CD1-CB 4.12Å; Y1608-Q1620 HydrophobicContact CD2-CB 4.35Å; Y1608-Q1620 HydrophobicContact CE1-CB 3.72Å; Y1608-Q1620 HydrophobicContact CE1-CG 3.8Å; Y1608-Q1620 HydrophobicContact CE2-CB 3.98Å; Y1608-Q1620 HydrophobicContact CE2-CG 4.49Å; Y1608-Q1620 HydrophobicContact CG-CB 4.43Å; Y1608-Q1620 PolarHBondContact N-O 3.35Å; Y1608-Q1620 PolarHBondContact O-N 3.48Å
1609L77.8Confident73.8Confident60 Ų6050.5 Ų50.531%0.31427%0.274SS..EExtended strand (participates in β ladder)trans-74.1129.7176.4-170.672.4000109.7I1597 R1612 A1617 F1619I1597-L1609 HydrophobicContact CD1-CD1 4.3Å; I1597-L1609 HydrophobicContact CD1-CD2 3.98Å; I1597-L1609 HydrophobicContact CG1-CD1 4.27Å; I1597-L1609 HydrophobicContact CG2-CD2 4.4Å; L1609-R1612 HydrophobicContact CD2-CB 4.33Å; L1609-A1617 HydrophobicContact CD1-CB 3.93Å; L1609-F1619 HydrophobicContact CD1-CD1 4Å; L1609-F1619 HydrophobicContact CD1-CE1 3.69Å; L1609-F1619 HydrophobicContact CD1-CE2 4.49Å; L1609-F1619 HydrophobicContact CD1-CZ 3.97Å
1610T70.1Confident73.6Confident50 Ų5048.1 Ų48.131%0.30727%0.265SS..EExtended strand (participates in β ladder)trans-108.9-28.2179.345.60000113.8Y1608 K1618 Q1620Y1608-T1610 HydrophobicContact CD2-CG2 3.95Å; Y1608-T1610 HydrophobicContact CE2-CG2 3.53Å; T1610-K1618 PolarHBondContact N-O 3.04Å; T1610-K1618 PolarHBondContact OG1-O 2.85Å; T1610-Q1620 HydrophobicContact CG2-CB 3.67Å
1611D65.9Low73.4Confident42 Ų4248.1 Ų48.123%0.22527%0.265CS..EExtended strand (participates in β ladder)trans-154.3146.2-175.9-159.63.6000109.4R921 K1618R921-D1611 IonicContact CZ-OD2 2.68Å; R921-D1611 IonicContact NH1-OD2 3.67Å; R921-D1611 IonicContact NH2-OD1 3.09Å; R921-D1611 IonicContact NH2-OD2 3.55Å; R921-D1611 PolarHBondContact NH2-OD2 3.02Å; D1611-K1618 HydrophobicContact CB-CB 3.83Å; D1611-K1618 HydrophobicContact CB-CD 3.75Å; D1611-K1618 HydrophobicContact CB-CG 3.9Å; D1611-K1618 PolarHBondContact N-O 3.03Å; D1611-K1618 PolarHBondContact O-N 3.06Å; D1611-K1618 IonicContact OD2-NZ 3.42Å; D1611-K1618 PolarHBondContact OD2-NZ 3.34Å
1612R68.3Low72.9Confident133 Ų13346.2 Ų46.250%0.50226%0.258SS..EExtended strand (participates in β ladder)trans-144.7108.5179.5179.5-171.9171.5-170.50.2110.1L1609L1609-R1612 HydrophobicContact CD2-CB 4.33Å
1613N64.8Low72.1Confident28 Ų2847.5 Ų47.515%0.1524%0.244CC..  trans-94.6175.7164.4-65.8-14.7000109.8T1615 M1616N1613-T1615 PolarHBondContact O-N 3.22Å; N1613-M1616 HydrophobicContact CB-CB 4.3Å; N1613-M1616 PolarHBondContact N-O 3.43Å
1614L60.1Low71.4Confident125 Ų12553.2 Ų53.265%0.65426%0.262SS*.SBendtrans-60.8-32.7176.6-69.8167.3000113.1C1588C1588-L1614 WeakPolarHBondContact CB-O 3.27Å; C1588-L1614 PolarHBondContact SG-O 2.94Å
1615T63Low70.8Confident45 Ų4561.7 Ų61.728%0.27629%0.294SS..SBendtrans-118.7-2.6-175.951.30000114.4K1584 L1585 N1613K1584-T1615 CarbonylContact C-O 3.55Å; K1584-T1615 WeakPolarHBondContact CA-O 3.42Å; L1585-T1615 PolarHBondContact N-O 2.66Å; N1613-T1615 PolarHBondContact O-N 3.22Å
1616M70.7Confident70.6Confident29 Ų2958.1 Ų58.114%0.14327%0.27CS..EExtended strand (participates in β ladder)trans-138.6135.5-176-178.7-170.9-74.600111.9I1583 K1584 N1613 K1618I1583-M1616 VanDerWaalsContact O-CA 3.3Å; I1583-M1616 WeakPolarHBondContact O-CA 3.42Å; K1584-M1616 HydrophobicContact CB-CE 4.38Å; K1584-M1616 HydrophobicContact CG-CE 4.48Å; N1613-M1616 HydrophobicContact CB-CB 4.3Å; N1613-M1616 PolarHBondContact N-O 3.43Å; M1616-K1618 HydrophobicContact CG-CG 4.43Å; M1616-K1618 HydrophobicContact SD-CD 4.49Å; M1616-K1618 VanDerWaalsContact SD-CE 3.52Å; M1616-K1618 HydrophobicContact SD-CG 4.17Å
1617A75.2Confident70.5Confident0 Ų059 Ų590%028%0.275CS..EExtended strand (participates in β ladder)trans-116.1136.5167.600000110.4I1583 M1596 I1597 L1609 F1619I1583-A1617 PolarHBondContact N-O 3.34Å; I1583-A1617 PolarHBondContact O-N 3.36Å; M1596-A1617 HydrophobicContact CE-CB 3.5Å; I1597-A1617 HydrophobicContact CD1-CB 4.46Å; I1597-A1617 HydrophobicContact CG1-CB 4.23Å; L1609-A1617 HydrophobicContact CD1-CB 3.93Å; A1617-F1619 HydrophobicContact CB-CD2 4.34Å; A1617-F1619 HydrophobicContact CB-CE2 3.5Å; A1617-F1619 VanDerWaalsContact CB-CE2 3.5Å; A1617-F1619 HydrophobicContact CB-CZ 3.79Å
1618K76Confident70.2Confident15 Ų1560.7 Ų60.77%0.06528%0.283CS..EExtended strand (participates in β ladder)trans-113.9126.3175.5-56-173.9-176.2169.30110.6M1582 T1610 D1611 M1616M1582-K1618 HydrophobicContact CB-CG 4.36Å; M1582-K1618 HydrophobicContact CG-CB 4.38Å; M1582-K1618 HydrophobicContact CG-CD 4.23Å; M1582-K1618 HydrophobicContact CG-CG 3.91Å; M1582-K1618 HydrophobicContact SD-CD 3.75Å; M1582-K1618 HydrophobicContact SD-CG 4.05Å; T1610-K1618 PolarHBondContact N-O 3.04Å; T1610-K1618 PolarHBondContact OG1-O 2.85Å; D1611-K1618 HydrophobicContact CB-CB 3.83Å; D1611-K1618 HydrophobicContact CB-CD 3.75Å; D1611-K1618 HydrophobicContact CB-CG 3.9Å; D1611-K1618 PolarHBondContact N-O 3.03Å; D1611-K1618 PolarHBondContact O-N 3.06Å; D1611-K1618 IonicContact OD2-NZ 3.42Å; D1611-K1618 PolarHBondContact OD2-NZ 3.34Å; M1616-K1618 HydrophobicContact CG-CG 4.43Å; M1616-K1618 HydrophobicContact SD-CD 4.49Å; M1616-K1618 VanDerWaalsContact SD-CE 3.52Å; M1616-K1618 HydrophobicContact SD-CG 4.17Å
1619F79.3Confident69.5Low0 Ų059.9 Ų59.90%029%0.29CS..EExtended strand (participates in β ladder)trans-117.3133.2-175.4-62.5-85.3000110.3R1580 M1581 I1583 M1596 I1597 V1600 L1601 Y1608 L1609 A1617R1580-F1619 CarbonylContact C-O 3.54Å; R1580-F1619 VanDerWaalsContact CA-O 3.29Å; R1580-F1619 WeakPolarHBondContact CA-O 3.44Å; M1581-F1619 HydrophobicContact CB-CB 4.38Å; M1581-F1619 HydrophobicContact CE-CB 4.3Å; M1581-F1619 HydrophobicContact CE-CD2 4.17Å; M1581-F1619 HydrophobicContact CE-CG 4.35Å; M1581-F1619 PolarHBondContact N-O 3.42Å; M1581-F1619 PolarHBondContact O-N 2.86Å; I1583-F1619 HydrophobicContact CD1-CD2 3.97Å; I1583-F1619 HydrophobicContact CD1-CE2 3.72Å; M1596-F1619 HydrophobicContact CE-CE2 4.41Å; M1596-F1619 HydrophobicContact CE-CZ 4.45Å; I1597-F1619 HydrophobicContact CB-CZ 4.44Å; I1597-F1619 HydrophobicContact CG1-CE1 4.32Å; I1597-F1619 HydrophobicContact CG1-CZ 3.87Å; I1597-F1619 HydrophobicContact CG2-CE1 4.49Å; V1600-F1619 HydrophobicContact CB-CD1 4.34Å; V1600-F1619 HydrophobicContact CB-CE1 3.81Å; V1600-F1619 HydrophobicContact CB-CE2 4.31Å; V1600-F1619 HydrophobicContact CB-CZ 3.78Å; V1600-F1619 HydrophobicContact CG1-CD1 3.48Å; V1600-F1619 VanDerWaalsContact CG1-CD1 3.48Å; V1600-F1619 HydrophobicContact CG1-CD2 4.03Å; V1600-F1619 HydrophobicContact CG1-CE1 3.46Å; V1600-F1619 VanDerWaalsContact CG1-CE1 3.46Å; V1600-F1619 HydrophobicContact CG1-CE2 4.01Å; V1600-F1619 HydrophobicContact CG1-CG 3.76Å; V1600-F1619 HydrophobicContact CG1-CZ 3.73Å; V1600-F1619 HydrophobicContact CG2-CE1 4.49Å; V1600-F1619 HydrophobicContact CG2-CE2 4.13Å; V1600-F1619 HydrophobicContact CG2-CZ 3.97Å; L1601-F1619 HydrophobicContact CD2-CD1 4.46Å; L1601-F1619 HydrophobicContact CG-CE1 4.45Å; Y1608-F1619 CarbonylContact O-C 3.58Å; Y1608-F1619 WeakPolarHBondContact O-CA 3.43Å; L1609-F1619 HydrophobicContact CD1-CD1 4Å; L1609-F1619 HydrophobicContact CD1-CE1 3.69Å; L1609-F1619 HydrophobicContact CD1-CE2 4.49Å; L1609-F1619 HydrophobicContact CD1-CZ 3.97Å; A1617-F1619 HydrophobicContact CB-CD2 4.34Å; A1617-F1619 HydrophobicContact CB-CE2 3.5Å; A1617-F1619 VanDerWaalsContact CB-CE2 3.5Å; A1617-F1619 HydrophobicContact CB-CZ 3.79Å
1620Q77.9Confident69.2Low3 Ų361.5 Ų61.51%0.01430%0.296CS..EExtended strand (participates in β ladder)trans-97.7126.3172.9-168.972.853.600109.5H1579 C1607 Y1608 T1610 N1652H1579-Q1620 PolarHBondContact O-NE2 3.44Å; C1607-Q1620 WeakPolarHBondContact CA-O 3.3Å; Y1608-Q1620 HydrophobicContact CD1-CB 4.12Å; Y1608-Q1620 HydrophobicContact CD2-CB 4.35Å; Y1608-Q1620 HydrophobicContact CE1-CB 3.72Å; Y1608-Q1620 HydrophobicContact CE1-CG 3.8Å; Y1608-Q1620 HydrophobicContact CE2-CB 3.98Å; Y1608-Q1620 HydrophobicContact CE2-CG 4.49Å; Y1608-Q1620 HydrophobicContact CG-CB 4.43Å; Y1608-Q1620 PolarHBondContact N-O 3.35Å; Y1608-Q1620 PolarHBondContact O-N 3.48Å; T1610-Q1620 HydrophobicContact CG2-CB 3.67Å; Q1620-N1652 PolarHBondContact NE2-ND2 3.12Å; Q1620-N1652 PolarHBondContact NE2-OD1 3.28Å; Q1620-N1652 PolarHBondContact OE1-ND2 3.25Å; Q1620-N1652 VanDerWaalsContact OE1-ND2 3.1Å; Q1620-N1652 PolarHBondContact OE1-OD1 3.34Å
1621L77.3Confident69.3Low0 Ų059.2 Ų59.20%028%0.282CS..EExtended strand (participates in β ladder)trans-102.1121.4-179.3-60.6161.8000108.6G1578 H1579 M1581 L1604 C1607 K1623 A1631 L1649G1578-L1621 VanDerWaalsContact CA-O 3.3Å; G1578-L1621 WeakPolarHBondContact CA-O 3.44Å; H1579-L1621 HydrophobicContact CB-CB 4.27Å; H1579-L1621 HydrophobicContact CB-CD1 3.99Å; H1579-L1621 PolarHBondContact N-O 2.92Å; H1579-L1621 VanDerWaalsContact N-O 3.12Å; H1579-L1621 WeakPolarHBondContact O-CB 3.48Å; H1579-L1621 PolarHBondContact O-N 3.34Å; M1581-L1621 HydrophobicContact CB-CD1 4.03Å; L1604-L1621 HydrophobicContact CD1-CD2 3.78Å; L1604-L1621 HydrophobicContact CD2-CD2 4.49Å; C1607-L1621 HydrophobicContact CB-CD2 4.39Å; L1621-K1623 PolarHBondContact O-N 3.15Å; L1621-A1631 HydrophobicContact CD1-CB 3.7Å; L1621-A1631 HydrophobicContact CD2-CB 4.08Å; L1621-L1649 HydrophobicContact CD1-CD1 3.94Å; L1621-L1649 HydrophobicContact CD1-CD2 4.29Å; L1621-L1649 HydrophobicContact CD1-CG 4.08Å
1622S72.1Confident69.6Low33 Ų3359.4 Ų59.423%0.23128%0.283CS..EExtended strand (participates in β ladder)trans-77.8121.8-178.5-171.30000111.9R1624 R1625 T1626S1622-R1624 PolarHBondContact O-N 2.86Å; S1622-R1625 PolarHBondContact O-N 3.13Å; S1622-T1626 PolarHBondContact O-N 3.17Å; S1622-T1626 PolarHBondContact O-OG1 3.43Å
1623K63.7Low69.9Low95 Ų9556.6 Ų56.641%0.41328%0.278SS..THydrogen-bonded Turntrans-53.5-14174.5-103.5175-178175.40114.5N1573 Q1577 L1621N1573-K1623 PolarHBondContact OD1-NZ 2.92Å; Q1577-K1623 PolarHBondContact O-N 3.07Å; L1621-K1623 PolarHBondContact O-N 3.15Å
1624R65Low70.6Confident239 Ų23955.5 Ų55.590%0.90227%0.272SS*.THydrogen-bonded Turntrans-100.2-4.8178.6-66.9-172.6179-173.20.2115S1622S1622-R1624 PolarHBondContact O-N 2.86Å
1625R64Low71.2Confident180 Ų18050.1 Ų50.168%0.67925%0.246SC*.THydrogen-bonded Turntrans-136.2-24-171.4-68.7-172.2174-179.6-0.9116.2P1605 S1622P1605-R1625 WeakPolarHBondContact O-CB 2.88Å; S1622-R1625 PolarHBondContact O-N 3.13Å
1626T64.6Low71.7Confident12 Ų1249.8 Ų49.87%0.07424%0.242CC..  trans-122.9125.8178.854.20000110.2L1604 S1622 E1630L1604-T1626 HydrophobicContact CB-CG2 4.3Å; L1604-T1626 HydrophobicContact CD2-CG2 4.13Å; S1622-T1626 PolarHBondContact O-N 3.17Å; S1622-T1626 PolarHBondContact O-OG1 3.43Å; T1626-E1630 WeakPolarHBondContact CA-OE2 3.25Å
1627A68.1Low72.1Confident45 Ų4550.7 Ų50.737%0.37225%0.247SC..  trans-69.8154.5169.200000110.9S1629 E1630 A1631A1627-S1629 VanDerWaalsContact C-N 3.27Å; A1627-S1629 PolarHBondContact O-N 2.88Å; A1627-E1630 HydrophobicContact CB-CG 4.04Å; A1627-E1630 PolarHBondContact N-OE2 3.09Å; A1627-E1630 PolarHBondContact O-N 3.49Å; A1627-A1631 PolarHBondContact O-N 3.09Å
1628L68.5Low72.2Confident52 Ų5250.7 Ų50.727%0.27225%0.247SC..Hα-helixtrans-64.4-35179.5-17165000111.7Y1048 A1631 I1632 L1649Y1048-L1628 HydrophobicContact CE2-CD2 4.27Å; L1628-A1631 PolarHBondContact O-N 3.41Å; L1628-I1632 HydrophobicContact CG-CD1 4.12Å; L1628-I1632 VanDerWaalsContact O-CG1 3.3Å; L1628-I1632 WeakPolarHBondContact O-CG1 3.26Å; L1628-I1632 PolarHBondContact O-N 3.46Å; L1628-L1649 HydrophobicContact CD1-CD2 3.51Å
1629S66.6Low72Confident72 Ų7254.5 Ų54.550%0.50326%0.264SS..Hα-helixtrans-59.8-52.5173.443.80000112.4A1627 A1631 I1632 D1633A1627-S1629 VanDerWaalsContact C-N 3.27Å; A1627-S1629 PolarHBondContact O-N 2.88Å; S1629-A1631 PolarHBondContact O-N 3.44Å; S1629-I1632 CarbonylContact O-C 3.6Å; S1629-I1632 PolarHBondContact O-N 2.99Å; S1629-D1633 PolarHBondContact O-N 3.29Å
1630E72.8Confident71.7Confident94 Ų9462 Ų6244%0.43929%0.292SS..Hα-helixtrans-56.8-37.5178.7-63.1168.9154.200112.1L1604 T1626 A1627 C1634L1604-E1630 HydrophobicContact CD2-CB 4.43Å; T1626-E1630 WeakPolarHBondContact CA-OE2 3.25Å; A1627-E1630 HydrophobicContact CB-CG 4.04Å; A1627-E1630 PolarHBondContact N-OE2 3.09Å; A1627-E1630 PolarHBondContact O-N 3.49Å; E1630-C1634 VanDerWaalsContact O-CB 3.31Å; E1630-C1634 WeakPolarHBondContact O-CB 3.06Å; E1630-C1634 PolarHBondContact O-N 3.47Å
1631A71.4Confident71.6Confident2 Ų267.5 Ų67.52%0.01732%0.318CS..Hα-helixtrans-74-34.6178.500000112.6L1604 L1621 A1627 L1628 S1629 A1635 L1649L1604-A1631 HydrophobicContact CD2-CB 4.36Å; L1621-A1631 HydrophobicContact CD1-CB 3.7Å; L1621-A1631 HydrophobicContact CD2-CB 4.08Å; A1627-A1631 PolarHBondContact O-N 3.09Å; L1628-A1631 PolarHBondContact O-N 3.41Å; S1629-A1631 PolarHBondContact O-N 3.44Å; A1631-A1635 WeakPolarHBondContact O-CB 3.38Å; A1631-A1635 PolarHBondContact O-N 3.08Å; A1631-L1649 HydrophobicContact CB-CD1 3.69Å
1632I72Confident71.4Confident45 Ų4568.7 Ų68.723%0.23132%0.323CS..Hα-helixtrans-67.5-45.3170.6-70.3165.8000110.6I1033 L1628 S1629 C1634 A1635 I1636 L1649I1033-I1632 HydrophobicContact CG2-CD1 4.36Å; L1628-I1632 HydrophobicContact CG-CD1 4.12Å; L1628-I1632 VanDerWaalsContact O-CG1 3.3Å; L1628-I1632 WeakPolarHBondContact O-CG1 3.26Å; L1628-I1632 PolarHBondContact O-N 3.46Å; S1629-I1632 CarbonylContact O-C 3.6Å; S1629-I1632 PolarHBondContact O-N 2.99Å; I1632-C1634 VanDerWaalsContact C-N 3.3Å; I1632-C1634 PolarHBondContact O-N 3.29Å; I1632-A1635 WeakPolarHBondContact O-CB 3.19Å; I1632-A1635 PolarHBondContact O-N 3.18Å; I1632-I1636 HydrophobicContact CG2-CD1 3.79Å; I1632-I1636 HydrophobicContact CG2-CG1 4.44Å; I1632-I1636 VanDerWaalsContact O-CG1 3.32Å; I1632-I1636 WeakPolarHBondContact O-CG1 3.43Å; I1632-I1636 PolarHBondContact O-N 3.21Å; I1632-L1649 HydrophobicContact CG1-CD1 4.49Å
1633D74.8Confident71.2Confident75 Ų7575.4 Ų75.440%0.40135%0.348SS..Hα-helixtrans-61.3-39.5175.7-73.3-33.5000111.2S1629 N1637S1629-D1633 PolarHBondContact O-N 3.29Å; D1633-N1637 WeakPolarHBondContact O-CB 3.48Å; D1633-N1637 PolarHBondContact O-N 3.06Å; D1633-N1637 PolarHBondContact O-ND2 2.93Å
1634C78.8Confident71.3Confident5 Ų571.6 Ų71.63%0.03433%0.333CS..Hα-helixtrans-64-46.9172.8-169.10000111.5L1604 E1630 I1632 I1636 N1637 V1638L1604-C1634 HydrophobicContact CD1-CB 3.68Å; L1604-C1634 WeakPolarHBondContact CD1-SG 3.29Å; L1604-C1634 HydrophobicContact CD2-CB 4Å; L1604-C1634 HydrophobicContact CG-CB 3.88Å; E1630-C1634 VanDerWaalsContact O-CB 3.31Å; E1630-C1634 WeakPolarHBondContact O-CB 3.06Å; E1630-C1634 PolarHBondContact O-N 3.47Å; I1632-C1634 VanDerWaalsContact C-N 3.3Å; I1632-C1634 PolarHBondContact O-N 3.29Å; C1634-I1636 PolarHBondContact O-N 2.81Å; C1634-N1637 PolarHBondContact O-N 3Å; C1634-V1638 WeakPolarHBondContact O-CB 3.3Å; C1634-V1638 VanDerWaalsContact O-CG2 3.25Å; C1634-V1638 WeakPolarHBondContact O-CG2 3.44Å; C1634-V1638 PolarHBondContact O-N 2.84Å
1635A73.6Confident71.1Confident12 Ų1262.4 Ų62.410%0.09930%0.3CS..Hα-helixtrans-57.5-44.4176.500000112.7M1581 A1631 I1632 V1638 K1639M1581-A1635 HydrophobicContact SD-CB 3.99Å; A1631-A1635 WeakPolarHBondContact O-CB 3.38Å; A1631-A1635 PolarHBondContact O-N 3.08Å; I1632-A1635 WeakPolarHBondContact O-CB 3.19Å; I1632-A1635 PolarHBondContact O-N 3.18Å; A1635-V1638 PolarHBondContact O-N 3.13Å; A1635-K1639 WeakPolarHBondContact O-CB 3.28Å; A1635-K1639 PolarHBondContact O-N 2.85Å
1636I73.4Confident71.2Confident37 Ų3754.9 Ų54.919%0.1927%0.274CS..Hα-helixtrans-62.1-46.5175.4-69.1167.2000110.6L1026 I1632 C1634 K1639 R1640L1026-I1636 HydrophobicContact CD2-CD1 4.08Å; L1026-I1636 HydrophobicContact CD2-CG1 3.79Å; I1632-I1636 HydrophobicContact CG2-CD1 3.79Å; I1632-I1636 HydrophobicContact CG2-CG1 4.44Å; I1632-I1636 VanDerWaalsContact O-CG1 3.32Å; I1632-I1636 WeakPolarHBondContact O-CG1 3.43Å; I1632-I1636 PolarHBondContact O-N 3.21Å; C1634-I1636 PolarHBondContact O-N 2.81Å; I1636-K1639 PolarHBondContact O-N 2.94Å; I1636-R1640 WeakPolarHBondContact O-CG 3.07Å; I1636-R1640 PolarHBondContact O-N 3.41Å
1637N79.6Confident71.4Confident48 Ų4855.6 Ų55.626%0.25728%0.279SS..Hα-helixtrans-65.3-39.5178.3-79.5-63.3000112.2D1633 C1634 R1640 H1641D1633-N1637 WeakPolarHBondContact O-CB 3.48Å; D1633-N1637 PolarHBondContact O-N 3.06Å; D1633-N1637 PolarHBondContact O-ND2 2.93Å; C1634-N1637 PolarHBondContact O-N 3Å; N1637-R1640 PolarHBondContact O-N 2.89Å; N1637-R1640 VanDerWaalsContact O-N 3.12Å; N1637-H1641 PolarHBondContact O-N 3.31Å; N1637-H1641 PolarHBondContact O-ND1 3.08Å
1638V76.8Confident71.5Confident0 Ų055 Ų550%027%0.272CS..Hα-helixtrans-64.2-40.6175.3172.70000111I1583 M1596 Y1599 V1600 C1634 A1635 R1640 H1641 F1642 V1644I1583-V1638 HydrophobicContact CD1-CG1 3.92Å; I1583-V1638 HydrophobicContact CG1-CG1 4.45Å; I1583-V1638 HydrophobicContact CG2-CG1 4.21Å; M1596-V1638 HydrophobicContact CG-CG1 4.06Å; M1596-V1638 HydrophobicContact SD-CG1 4.44Å; Y1599-V1638 HydrophobicContact CD1-CG2 3.7Å; Y1599-V1638 HydrophobicContact CE1-CG2 3.8Å; V1600-V1638 HydrophobicContact CG2-CG2 3.73Å; C1634-V1638 WeakPolarHBondContact O-CB 3.3Å; C1634-V1638 VanDerWaalsContact O-CG2 3.25Å; C1634-V1638 WeakPolarHBondContact O-CG2 3.44Å; C1634-V1638 PolarHBondContact O-N 2.84Å; A1635-V1638 PolarHBondContact O-N 3.13Å; V1638-R1640 PolarHBondContact O-N 3.14Å; V1638-H1641 PolarHBondContact O-N 3.35Å; V1638-F1642 HydrophobicContact CG1-CD2 4.06Å; V1638-F1642 PolarHBondContact O-N 3.29Å; V1638-V1644 HydrophobicContact CG1-CG2 3.97Å
1639K72.4Confident71.7Confident96 Ų9654.2 Ų54.242%0.41727%0.268SS..Hα-helixtrans-68.5-17.1173.5-171.2164.1-175.2172.50114A1635 I1636 V1644A1635-K1639 WeakPolarHBondContact O-CB 3.28Å; A1635-K1639 PolarHBondContact O-N 2.85Å; I1636-K1639 PolarHBondContact O-N 2.94Å; K1639-V1644 HydrophobicContact CB-CB 4.28Å; K1639-V1644 HydrophobicContact CG-CB 4.2Å
1640R72.5Confident71.8Confident158 Ų15854 Ų5460%0.59626%0.261SS*.Hα-helixtrans-88.2-38.1171.5-74175.4174.7171.4-2.8113.4E1027 I1636 N1637 V1638E1027-R1640 IonicContact OE1-CZ 3.57Å; E1027-R1640 IonicContact OE1-NH2 2.69Å; E1027-R1640 PolarHBondContact OE1-NH2 2.79Å; I1636-R1640 WeakPolarHBondContact O-CG 3.07Å; I1636-R1640 PolarHBondContact O-N 3.41Å; N1637-R1640 PolarHBondContact O-N 2.89Å; N1637-R1640 VanDerWaalsContact O-N 3.12Å; V1638-R1640 PolarHBondContact O-N 3.14Å
1641H76.5Confident71.6Confident117 Ų11752.5 Ų52.554%0.54225%0.254SS..Hα-helixtrans-86.4-33.3-176.9-68.272.6000113.1Y1599 N1637 V1638Y1599-H1641 PolarHBondContact OH-CE1 3.08Å; N1637-H1641 PolarHBondContact O-N 3.31Å; N1637-H1641 PolarHBondContact O-ND1 3.08Å; V1638-H1641 PolarHBondContact O-N 3.35Å
1642F71.8Confident71.5Confident26 Ų2652.6 Ų52.611%0.11425%0.254CS..SBendtrans-116.7149-178.9-56.2-86.9000110.1L1585 E1595 M1596 Y1599 V1638 V1644L1585-F1642 HydrophobicContact CD2-CB 3.85Å; E1595-F1642 HydrophobicContact CB-CE1 4.21Å; E1595-F1642 HydrophobicContact CG-CE1 3.96Å; E1595-F1642 HydrophobicContact CG-CZ 4.12Å; M1596-F1642 HydrophobicContact CB-CD1 3.95Å; M1596-F1642 HydrophobicContact CB-CD2 4.26Å; M1596-F1642 HydrophobicContact CB-CE1 3.91Å; M1596-F1642 HydrophobicContact CB-CE2 4.22Å; M1596-F1642 HydrophobicContact CB-CG 4.14Å; M1596-F1642 HydrophobicContact CB-CZ 4.05Å; M1596-F1642 HydrophobicContact CG-CD2 4.13Å; M1596-F1642 HydrophobicContact CG-CE2 4.37Å; M1596-F1642 HydrophobicContact CG-CG 4.24Å; Y1599-F1642 HydrophobicContact CD1-CE2 4.26Å; Y1599-F1642 HydrophobicContact CD2-CE2 4.25Å; Y1599-F1642 AromaticContact CG-CE2 3.9Å; Y1599-F1642 HydrophobicContact CG-CE2 3.9Å; Y1599-F1642 HydrophobicContact CG-CZ 4.38Å; V1638-F1642 HydrophobicContact CG1-CD2 4.06Å; V1638-F1642 PolarHBondContact O-N 3.29Å; F1642-V1644 HydrophobicContact CB-CG2 4.15Å; F1642-V1644 PolarHBondContact O-N 3.47Å
1643K67.6Low71.5Confident173 Ų17352.3 Ų52.375%0.75226%0.256SS*.  trans-76.274.5177.4-68.8-170.6178.3-176.30111.1Q1586Q1586-K1643 WeakPolarHBondContact CB-O 3.43Å; Q1586-K1643 PolarHBondContact N-O 3.32Å
1644V65.7Low71.6Confident16 Ų1648.7 Ų48.710%0.09724%0.237CC..EExtended strand (participates in β ladder)trans-81122.3-179.6175.10000110.2I1583 K1584 L1585 V1638 K1639 F1642 T1646 C1647I1583-V1644 HydrophobicContact CG2-CB 4.48Å; I1583-V1644 HydrophobicContact CG2-CG1 3.94Å; I1583-V1644 HydrophobicContact CG2-CG2 3.73Å; K1584-V1644 CarbonylContact O-C 3.57Å; K1584-V1644 WeakPolarHBondContact O-CA 3.34Å; K1584-V1644 WeakPolarHBondContact O-CG1 3.49Å; L1585-V1644 HydrophobicContact CD2-CG2 3.87Å; V1638-V1644 HydrophobicContact CG1-CG2 3.97Å; K1639-V1644 HydrophobicContact CB-CB 4.28Å; K1639-V1644 HydrophobicContact CG-CB 4.2Å; F1642-V1644 HydrophobicContact CB-CG2 4.15Å; F1642-V1644 PolarHBondContact O-N 3.47Å; V1644-T1646 VanDerWaalsContact CG1-O 3.23Å; V1644-T1646 WeakPolarHBondContact CG1-O 3.29Å; V1644-C1647 HydrophobicContact CG1-CB 3.96Å
1645E62Low71.3Confident45 Ų4550.3 Ų50.321%0.2125%0.245CC..EExtended strand (participates in β ladder)trans-71.3-57.7173.7-167.9-165.3148.900110.1S969 K1584 Q1586S969-E1645 WeakPolarHBondContact CB-OE1 3.32Å; S969-E1645 PolarHBondContact OG-OE1 3.06Å; K1584-E1645 WeakPolarHBondContact CD-OE2 3.2Å; K1584-E1645 WeakPolarHBondContact CE-OE2 3.34Å; K1584-E1645 HydrophobicContact CG-CB 4.49Å; K1584-E1645 IonicContact NZ-OE1 3.74Å; K1584-E1645 PolarHBondContact NZ-OE1 3.16Å; K1584-E1645 IonicContact NZ-OE2 3.99Å; K1584-E1645 PolarHBondContact NZ-OE2 3.02Å; K1584-E1645 PolarHBondContact O-N 3.2Å; Q1586-E1645 HydrophobicContact CB-CB 4.24Å
1646T64.6Low71.3Confident23 Ų2351.4 Ų51.414%0.14125%0.25CC..EExtended strand (participates in β ladder)trans-134.5144.7176.661.90000111.5K1584 V1644K1584-T1646 WeakPolarHBondContact CB-OG1 3.38Å; K1584-T1646 PolarHBondContact N-O 3.23Å; K1584-T1646 PolarHBondContact O-N 3.21Å; V1644-T1646 VanDerWaalsContact CG1-O 3.23Å; V1644-T1646 WeakPolarHBondContact CG1-O 3.29Å
1647C70.8Confident71.5Confident26 Ų2649.7 Ų49.718%0.17624%0.241CC..EExtended strand (participates in β ladder)trans-136.8102.4172.8-169.50000109.6M1582 I1583 V1644M1582-C1647 WeakPolarHBondContact O-CA 3.47Å; I1583-C1647 VanDerWaalsContact CG1-SG 3.57Å; V1644-C1647 HydrophobicContact CG1-CB 3.96Å
1648S68.9Low71.4Confident32 Ų3247.5 Ų47.522%0.22423%0.229CC..EExtended strand (participates in β ladder)trans-106136.5-17964.70000110.5M1581 M1582M1581-S1648 WeakPolarHBondContact CA-O 3.37Å; M1582-S1648 WeakPolarHBondContact CE-OG 3.37Å; M1582-S1648 PolarHBondContact N-O 3.44Å; M1582-S1648 PolarHBondContact O-N 3.06Å
1649L73Confident71.2Confident36 Ų3648.8 Ų48.819%0.18824%0.237CC..EExtended strand (participates in β ladder)trans-123.998.6178.6-161.5155.4000109.9H1579 R1580 M1581 L1621 L1628 A1631 I1632H1579-L1649 HydrophobicContact CB-CD2 4.04Å; R1580-L1649 CarbonylContact O-C 3.47Å; R1580-L1649 WeakPolarHBondContact O-CA 3.49Å; M1581-L1649 HydrophobicContact CB-CD1 4.4Å; M1581-L1649 HydrophobicContact CB-CG 4.37Å; L1621-L1649 HydrophobicContact CD1-CD1 3.94Å; L1621-L1649 HydrophobicContact CD1-CD2 4.29Å; L1621-L1649 HydrophobicContact CD1-CG 4.08Å; L1628-L1649 HydrophobicContact CD1-CD2 3.51Å; A1631-L1649 HydrophobicContact CB-CD1 3.69Å; I1632-L1649 HydrophobicContact CG1-CD1 4.49Å
1650N67.7Low71.2Confident67 Ų6747.4 Ų47.436%0.35823%0.232SC..EExtended strand (participates in β ladder)trans-115.1161.9-166.4-60.63.2000111.1H1579 R1580H1579-N1650 CarbonylContact C-O 3.58Å; H1579-N1650 WeakPolarHBondContact CA-O 3.14Å; R1580-N1650 PolarHBondContact N-O 3.44Å; R1580-N1650 PolarHBondContact O-N 3.32Å
1651Q69.7Low71.2Confident64 Ų6440.1 Ų40.130%0.29921%0.205SC..EExtended strand (participates in β ladder)trans-77.5150.5161.2-174174.2-900109.9S1653Q1651-S1653 PolarHBondContact O-N 3.39Å
1652N69.8Low71Confident3 Ų334.7 Ų34.72%0.01618%0.18CC..PPolyproline II helixtrans-57.5133175-6932000111.2G1578 Q1620 D1656G1578-N1652 PolarHBondContact O-OD1 3.37Å; Q1620-N1652 PolarHBondContact NE2-ND2 3.12Å; Q1620-N1652 PolarHBondContact NE2-OD1 3.28Å; Q1620-N1652 PolarHBondContact OE1-ND2 3.25Å; Q1620-N1652 VanDerWaalsContact OE1-ND2 3.1Å; Q1620-N1652 PolarHBondContact OE1-OD1 3.34Å; N1652-D1656 HydrophobicContact CB-CB 4.4Å
1653S71.8Confident70.8Confident39 Ų3940 Ų4027%0.27320%0.199SC..PPolyproline II helixtrans-74.4164.8173.665.20000111.6Q1651 D1655 D1656 I1657Q1651-S1653 PolarHBondContact O-N 3.39Å; S1653-D1655 PolarHBondContact O-N 2.96Å; S1653-D1655 PolarHBondContact OG-N 2.92Å; S1653-D1656 PolarHBondContact N-OD2 3.35Å; S1653-D1656 VanDerWaalsContact N-OD2 3.15Å; S1653-D1656 WeakPolarHBondContact O-CB 3.13Å; S1653-D1656 PolarHBondContact O-N 2.98Å; S1653-D1656 PolarHBondContact OG-N 2.76Å; S1653-D1656 PolarHBondContact OG-OD2 3.39Å; S1653-I1657 WeakPolarHBondContact O-CG1 3.35Å; S1653-I1657 PolarHBondContact O-N 3.45Å; S1653-I1657 VanDerWaalsContact O-N 3.16Å
1654L76.7Confident70.7Confident0 Ų035.6 Ų35.60%019%0.191CC..Hα-helixtrans-65.9-29.5170-167.6148.6000111.6L1387 M1544 E1548 V1554 I1568 I1657 F1658L1387-L1654 HydrophobicContact CD1-CD2 3.36Å; M1544-L1654 HydrophobicContact CB-CD2 3.99Å; M1544-L1654 HydrophobicContact CG-CD2 4.02Å; M1544-L1654 HydrophobicContact SD-CD2 3.63Å; E1548-L1654 HydrophobicContact CG-CB 3.86Å; E1548-L1654 HydrophobicContact CG-CD1 4.41Å; E1548-L1654 WeakPolarHBondContact OE1-CB 3.44Å; E1548-L1654 PolarHBondContact OE1-N 2.88Å; V1554-L1654 HydrophobicContact CG1-CD1 4.37Å; V1554-L1654 HydrophobicContact CG2-CD1 4.4Å; I1568-L1654 HydrophobicContact CG1-CD1 4.43Å; I1568-L1654 HydrophobicContact CG2-CD1 4.23Å; L1654-I1657 PolarHBondContact O-N 2.96Å; L1654-F1658 WeakPolarHBondContact O-CB 3.43Å; L1654-F1658 PolarHBondContact O-N 3.04Å
1655D73.2Confident70.3Confident38 Ų3839.2 Ų39.220%0.20321%0.21CC..Hα-helixtrans-65.6-39.9173-129.5-21.1000111.7P917 R920 M1544 S1653 I1657 F1658 V1659P917-D1655 WeakPolarHBondContact CB-OD1 3.5Å; P917-D1655 VanDerWaalsContact CG-OD1 3.26Å; P917-D1655 WeakPolarHBondContact CG-OD1 3.39Å; R920-D1655 IonicContact NH1-OD2 3.82Å; M1544-D1655 HydrophobicContact CB-CB 3.97Å; M1544-D1655 HydrophobicContact CG-CB 3.8Å; M1544-D1655 VanDerWaalsContact CG-OD1 3.22Å; M1544-D1655 WeakPolarHBondContact CG-OD1 3.4Å; S1653-D1655 PolarHBondContact O-N 2.96Å; S1653-D1655 PolarHBondContact OG-N 2.92Å; D1655-I1657 PolarHBondContact O-N 3.05Å; D1655-F1658 PolarHBondContact O-N 2.8Å; D1655-V1659 WeakPolarHBondContact O-CB 3.3Å; D1655-V1659 WeakPolarHBondContact O-CG2 3.42Å; D1655-V1659 PolarHBondContact O-N 3.24Å
1656D73.3Confident69.6Low36 Ų3645.3 Ų45.319%0.19324%0.238CC..Hα-helixtrans-61.9-42.8172.5-69.5-51.7000112.5R1580 N1652 S1653 V1659 Q1660R1580-D1656 VanDerWaalsContact CZ-CG 3.49Å; R1580-D1656 IonicContact CZ-OD1 3.56Å; R1580-D1656 IonicContact CZ-OD2 2.77Å; R1580-D1656 IonicContact NH1-OD1 2.73Å; R1580-D1656 PolarHBondContact NH1-OD1 3.16Å; R1580-D1656 IonicContact NH1-OD2 3.42Å; R1580-D1656 PolarHBondContact NH1-OD2 2.94Å; R1580-D1656 VanDerWaalsContact NH1-OD2 3.08Å; R1580-D1656 IonicContact NH2-OD1 2.7Å; R1580-D1656 PolarHBondContact NH2-OD1 3.02Å; R1580-D1656 IonicContact NH2-OD2 3.85Å; N1652-D1656 HydrophobicContact CB-CB 4.4Å; S1653-D1656 PolarHBondContact N-OD2 3.35Å; S1653-D1656 VanDerWaalsContact N-OD2 3.15Å; S1653-D1656 WeakPolarHBondContact O-CB 3.13Å; S1653-D1656 PolarHBondContact O-N 2.98Å; S1653-D1656 PolarHBondContact OG-N 2.76Å; S1653-D1656 PolarHBondContact OG-OD2 3.39Å; D1656-V1659 PolarHBondContact O-N 3.04Å; D1656-Q1660 VanDerWaalsContact O-CB 3.28Å; D1656-Q1660 WeakPolarHBondContact O-CB 3.16Å; D1656-Q1660 PolarHBondContact O-N 3.15Å
1657I76.7Confident69.9Low1 Ų146.5 Ų46.51%0.00524%0.243CC..Hα-helixtrans-65.5-41.5177-69.6163.2000110.2K1572 F1575 S1653 L1654 D1655 Q1660 V1661K1572-I1657 HydrophobicContact CB-CD1 4.29Å; K1572-I1657 HydrophobicContact CG-CD1 3.81Å; F1575-I1657 HydrophobicContact CB-CG1 4.33Å; F1575-I1657 HydrophobicContact CB-CG2 3.66Å; F1575-I1657 HydrophobicContact CD2-CG2 4.38Å; F1575-I1657 HydrophobicContact CG-CG2 4.25Å; S1653-I1657 WeakPolarHBondContact O-CG1 3.35Å; S1653-I1657 PolarHBondContact O-N 3.45Å; S1653-I1657 VanDerWaalsContact O-N 3.16Å; L1654-I1657 PolarHBondContact O-N 2.96Å; D1655-I1657 PolarHBondContact O-N 3.05Å; I1657-Q1660 PolarHBondContact O-N 2.84Å; I1657-V1661 HydrophobicContact CG2-CG2 4.33Å; I1657-V1661 VanDerWaalsContact O-CB 3.3Å; I1657-V1661 WeakPolarHBondContact O-CB 3.45Å; I1657-V1661 VanDerWaalsContact O-CG2 3.27Å; I1657-V1661 WeakPolarHBondContact O-CG2 3.38Å; I1657-V1661 PolarHBondContact O-N 2.91Å
1658F76.8Confident69.8Low1 Ų147.5 Ų47.50%0.00425%0.247CC..Hα-helixtrans-63.7-43.9176.1-179.3-99.2000112P917 M1544 I1556 L1654 D1655 V1661 T1662P917-F1658 HydrophobicContact CB-CD1 4.22Å; P917-F1658 HydrophobicContact CB-CE1 4.35Å; P917-F1658 HydrophobicContact CG-CD1 4.16Å; P917-F1658 HydrophobicContact CG-CE1 4.15Å; M1544-F1658 HydrophobicContact CE-CB 4.09Å; M1544-F1658 HydrophobicContact CE-CD1 3.59Å; M1544-F1658 HydrophobicContact CE-CD2 3.87Å; M1544-F1658 HydrophobicContact CE-CE1 3.95Å; M1544-F1658 HydrophobicContact CE-CE2 4.22Å; M1544-F1658 HydrophobicContact CE-CG 3.55Å; M1544-F1658 HydrophobicContact CE-CZ 4.25Å; I1556-F1658 HydrophobicContact CD1-CD2 4.48Å; I1556-F1658 HydrophobicContact CG2-CD2 4.11Å; I1556-F1658 HydrophobicContact CG2-CE2 4.2Å; L1654-F1658 WeakPolarHBondContact O-CB 3.43Å; L1654-F1658 PolarHBondContact O-N 3.04Å; D1655-F1658 PolarHBondContact O-N 2.8Å; F1658-V1661 PolarHBondContact O-N 2.68Å; F1658-T1662 HydrophobicContact CD1-CG2 4.36Å; F1658-T1662 HydrophobicContact CD2-CG2 4.38Å; F1658-T1662 HydrophobicContact CE1-CG2 3.93Å; F1658-T1662 HydrophobicContact CE2-CG2 3.94Å; F1658-T1662 HydrophobicContact CZ-CG2 3.7Å; F1658-T1662 WeakPolarHBondContact O-CB 3.17Å; F1658-T1662 WeakPolarHBondContact O-CG2 3.5Å; F1658-T1662 PolarHBondContact O-N 3.31Å; F1658-T1662 PolarHBondContact O-OG1 2.94Å
1659V73.1Confident69.9Low28 Ų2848.4 Ų48.417%0.1725%0.248CC..Hα-helixtrans-66.2-38175.5171.40000111.4D1655 D1656 T1662 R1663D1655-V1659 WeakPolarHBondContact O-CB 3.3Å; D1655-V1659 WeakPolarHBondContact O-CG2 3.42Å; D1655-V1659 PolarHBondContact O-N 3.24Å; D1656-V1659 PolarHBondContact O-N 3.04Å; V1659-T1662 WeakPolarHBondContact CA-OG1 3.25Å; V1659-T1662 PolarHBondContact O-OG1 3.04Å; V1659-R1663 HydrophobicContact CG1-CG 4.41Å; V1659-R1663 VanDerWaalsContact O-CB 3.25Å; V1659-R1663 WeakPolarHBondContact O-CB 3.27Å; V1659-R1663 VanDerWaalsContact O-CG 3.22Å; V1659-R1663 WeakPolarHBondContact O-CG 3.47Å; V1659-R1663 PolarHBondContact O-N 3.05Å
1660Q72.1Confident69.7Low66 Ų6649.1 Ų49.131%0.30825%0.251SS..Hα-helixtrans-68.4-44.4176.5-174.2171.33.300111.9D1656 I1657 S1664D1656-Q1660 VanDerWaalsContact O-CB 3.28Å; D1656-Q1660 WeakPolarHBondContact O-CB 3.16Å; D1656-Q1660 PolarHBondContact O-N 3.15Å; I1657-Q1660 PolarHBondContact O-N 2.84Å; Q1660-S1664 WeakPolarHBondContact O-CB 3.39Å; Q1660-S1664 PolarHBondContact O-N 3.21Å; Q1660-S1664 PolarHBondContact O-OG 3.39Å
1661V73.5Confident69.8Low5 Ų548 Ų483%0.0325%0.245CC..Hα-helixtrans-64.3-46.8177.1164.10000111.4I1556 F1563 F1575 I1657 F1658 S1664I1556-V1661 HydrophobicContact CG2-CG1 4.45Å; F1563-V1661 HydrophobicContact CD1-CG1 3.48Å; F1563-V1661 VanDerWaalsContact CD1-CG1 3.48Å; F1563-V1661 HydrophobicContact CD1-CG2 4.29Å; F1563-V1661 HydrophobicContact CD2-CG1 4.24Å; F1563-V1661 HydrophobicContact CE1-CB 4.22Å; F1563-V1661 HydrophobicContact CE1-CG1 3.47Å; F1563-V1661 VanDerWaalsContact CE1-CG1 3.47Å; F1563-V1661 HydrophobicContact CE1-CG2 3.69Å; F1563-V1661 HydrophobicContact CE2-CG1 4.23Å; F1563-V1661 HydrophobicContact CG-CG1 3.88Å; F1563-V1661 HydrophobicContact CZ-CG1 3.86Å; F1563-V1661 HydrophobicContact CZ-CG2 4.3Å; F1575-V1661 HydrophobicContact CD1-CG2 4.29Å; I1657-V1661 HydrophobicContact CG2-CG2 4.33Å; I1657-V1661 VanDerWaalsContact O-CB 3.3Å; I1657-V1661 WeakPolarHBondContact O-CB 3.45Å; I1657-V1661 VanDerWaalsContact O-CG2 3.27Å; I1657-V1661 WeakPolarHBondContact O-CG2 3.38Å; I1657-V1661 PolarHBondContact O-N 2.91Å; F1658-V1661 PolarHBondContact O-N 2.68Å; V1661-S1664 PolarHBondContact O-N 2.97Å; V1661-S1664 PolarHBondContact O-OG 3.25Å
1662T71.4Confident69.8Low4 Ų446.9 Ų46.93%0.02524%0.241CC..Hα-helixtrans-63.7-46.2178.648.70000111.8M1558 F1658 V1659 S1664 N1665 E1666M1558-T1662 HydrophobicContact CE-CG2 3.96Å; M1558-T1662 HydrophobicContact SD-CG2 3.85Å; F1658-T1662 HydrophobicContact CD1-CG2 4.36Å; F1658-T1662 HydrophobicContact CD2-CG2 4.38Å; F1658-T1662 HydrophobicContact CE1-CG2 3.93Å; F1658-T1662 HydrophobicContact CE2-CG2 3.94Å; F1658-T1662 HydrophobicContact CZ-CG2 3.7Å; F1658-T1662 WeakPolarHBondContact O-CB 3.17Å; F1658-T1662 WeakPolarHBondContact O-CG2 3.5Å; F1658-T1662 PolarHBondContact O-N 3.31Å; F1658-T1662 PolarHBondContact O-OG1 2.94Å; V1659-T1662 WeakPolarHBondContact CA-OG1 3.25Å; V1659-T1662 PolarHBondContact O-OG1 3.04Å; T1662-S1664 PolarHBondContact O-N 2.66Å; T1662-N1665 PolarHBondContact O-N 3.19Å; T1662-N1665 VanDerWaalsContact O-N 3.12Å; T1662-E1666 PolarHBondContact O-N 3.29Å
1663R69.2Low69.8Low136 Ų13650.1 Ų50.151%0.51326%0.257SS..Hα-helixtrans-64.3-21.2174.9-74.4177.1174.3-174.6-2114.5V1659V1659-R1663 HydrophobicContact CG1-CG 4.41Å; V1659-R1663 VanDerWaalsContact O-CB 3.25Å; V1659-R1663 WeakPolarHBondContact O-CB 3.27Å; V1659-R1663 VanDerWaalsContact O-CG 3.22Å; V1659-R1663 WeakPolarHBondContact O-CG 3.47Å; V1659-R1663 PolarHBondContact O-N 3.05Å
1664S65.8Low69.7Low82 Ų8250.9 Ų50.957%0.57326%0.256SS*.THydrogen-bonded Turntrans-83.30.5175.770.30000113.9Q1660 V1661 T1662Q1660-S1664 WeakPolarHBondContact O-CB 3.39Å; Q1660-S1664 PolarHBondContact O-N 3.21Å; Q1660-S1664 PolarHBondContact O-OG 3.39Å; V1661-S1664 PolarHBondContact O-N 2.97Å; V1661-S1664 PolarHBondContact O-OG 3.25Å; T1662-S1664 PolarHBondContact O-N 2.66Å
1665N56.3Low69.1Low92 Ų9255.2 Ų55.249%0.49228%0.277SS..  trans-133.78.3-173.1-146.635.2000111.9M1558 T1662M1558-N1665 HydrophobicContact CE-CB 4.14Å; T1662-N1665 PolarHBondContact O-N 3.19Å; T1662-N1665 VanDerWaalsContact O-N 3.12Å
1666E47.9Very low68.7Low173 Ų17356.7 Ų56.781%0.80828%0.284SS*.  trans-97.60163.2-73.8-170.7125.200109.3Q918 K922 T1662Q918-E1666 PolarHBondContact NE2-OE1 3.01Å; Q918-E1666 PolarHBondContact NE2-OE2 3.49Å; K922-E1666 IonicContact NZ-OE1 2.71Å; T1662-E1666 PolarHBondContact O-N 3.29Å

Retrieved 1,666 of 1,666 residues in 486.4 ms (Link to these results)

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