A0A077YXS6_TRITR Loading...

Udp glucose:glycoprotein glucosyltransferase

Recognizes glycoproteins with minor folding defects. Reglucosylates single N-glycans near the misfolded part of the protein, thus providing quality control for protein folding in the endoplasmic reticulum. Reglucosylated proteins are recognized by calreticulin for recycling to the endoplasmic reticulum and refolding or degradation.

AlphaFold DB , UniProt , Accession A0A077YXS6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,648 aa.

>A0A077YXS6_TRITR|A0A077YXS6
MLRMWRIVVHGGVLPLLLVWFYAARPSSCRATQKNVIAYVQSKWADTPLVVEASEFMAHEGDGYFWKFIEVLGKNESNMGSGIGLSMVSLTLSLLICQHFPATDEIMYERLIGIAKSVLDSKSRVKLFQFALAIRCYSPSVEMYRQLSLSLSGRPAGHVFVDVHGQLSANINSLDELLNQAIERSPPIFSFDHLYAARSNKAKKWAILYANLESNDFITWHNLLKSRAKKGELNYVFRHLPRLRIAFKVGKGKVPLSGYSVELAIKSTEYKAQDDAKIRSKPTAGTNLTDDGDEEETDLDGFNIRLLKLLHPELRDKLDEFKLHLLEADELAPLKVWQLQDLSFQAGQRILLAAKEDVLHTLQELSQNFPLMASILNGCQARIPQRSGDQSSTVWRVVSRTYSLRLKEAFSEFGIEPGDSAIFINGMRIDLDEMDIFALLDKLKKEERLLAGFFDMGFRVNGRQNMQIASFVFLFVQKETQSLLYRISSETSSSKFAVDYTQWLPDVSWRLAECCDFASLVYFQFVNDLEKDPQYRQWGNSVQLLLQPYFPGMIRPIARNFFTLVRSRHFRWLLVIHFAATDARRYLPFNLATTAQEIFCKLRNRFTSTKAHWEDDFTSCRVGLILATNPDKKVSGYSDGGVALLNAYNFVKGDKSIERALKFVLHVYSRVPSGNVTSSDVIDVFKQKYPDEDLTTVFDVDSDYNTGRQRWAQFAQSSGLNKLPSVLLNGFPMADNDVTSDQFEEAVVLEVSQVTSELQRAVLEGKLTDGVDVQRFILNKPFVLPKLNPKVLATDNKALILTDVMGRAYVGIARSSQSVAVSEYKVSTVGEFKKLERKQQNQYIVQSRRYLTKNDESILRPVTLWVVANVATKDGRDLYLAAIRSLKQLPNERVGLIHNIARKDKVGYAIASLIQACLKLPLHQAKVVITKMLEKQLKSMEELEKLDIHGVDWNFLQKELNKKGEDIVAIDSYYSTRILNIPSGKVGLIINGIILSDVTSKDFSSAEDFALIEKYLLSSGCKVIASQIRKWNVPHEDGRSSDLVMRVFSLLKAYASDTKRQWVTPLMQNDSCVDILSKDMMSATFEIVAIVDPLSASAQQISHLLSTIGHVINADITLCMNCKPKLSDIPLKRFLRVAIPTQLEFNQDGSLKRQPVARFSILPQKQLFTLNVIAPHSWLVEATEAAYDLDNIKMSDAFTDVVGIFELEHLLLEGHCFDEVTGSPPRGLQFTLGTAEQPVMFDTIVMANLGYFQLKANPGAWLLRLREGRSKEIYKVNSLDGAQVSNDERMVVILDNFGGLSKSRSLLPNFASRSNFGSLLQVAKKPDKFEEELLPTSGEEDEESSLWQSISKFVTKFTSSKDDYDVLNVFSLASGHLYERFLRSAVYSESVDMHCSKIMMLSVMKHAKSPVKFWLLKNYLSPHFKAFLPFMAKRYKFSYELVQYKWPRWLHQQTVKQRVMWGYKILFLDVLFPLDVKKIIFVDADQVVRTNLMDLMKLDLEGAPYGYTPFCDSRKEMEGYRFWKTGYWKQHLGDRKYHISALYVVDLKKFRQIAAGDRLRGQYHGLSKDPNSLSNLDQCNNPMTKEPKLQSAMRIIEEWRDYDAEIKKLLDEYDRQRGIERSASNEKEEEEEEEPQQPSGTLADKLST
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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
1M38.4Very low32.5Very low232 Ų232159.8 Ų159.8100%1.14380%0.799SS**  0111.20-59.8176.2-168.900106
2L27.3Very low32.2Very low149 Ų149152.4 Ų152.478%0.7879%0.793SS**  cis59.1118.224.1-66.7166.6000111.5
3R24.1Very low32.4Very low187 Ų187151.4 Ų151.471%0.70680%0.797SS**  cis-152.8136-1.9-77.8171.2179163.9-1110.7
4M35Very low32.6Very low190 Ų190152.2 Ų152.294%0.93680%0.801SS**SBendtrans-165.883.3137.6-83.4-138.9-79.400107.4
5W35.7Very low33.1Very low173 Ų173150.4 Ų150.466%0.65580%0.802SS**  72.4134.180.1-96.962.7000115.7
6R29.9Very low33.4Very low180 Ų180151.3 Ų151.368%0.67981%0.806SS**  cis-178-174.5-24.8-125.4-174.9-169.4176-5.8110.5
7I36.2Very low33.7Very low133 Ų133151.5 Ų151.568%0.68281%0.806SS**  trans81.2102.1167.8-45.9-172.7000112.1
8V31.1Very low34.1Very low123 Ų123150.6 Ų150.675%0.74580%0.8SS**  68.6116.969.1-170.40000111.1
9V34.9Very low34.7Very low122 Ų122149.6 Ų149.674%0.73980%0.8SS**  -169.9131.291.2158.10000111.4
10H31.7Very low35.1Very low185 Ų185153.9 Ų153.986%0.85681%0.805SS**  trans42.3140.8148.3-66.461.1000124.6
11G33.1Very low35.3Very low84 Ų84153.9 Ų153.987%0.86680%0.799SS**  trans114.512916600000113.3
12G29.5Very low35.5Very low71 Ų71153.1 Ų153.173%0.73279%0.785SS**  cis154.5113.4-8.300000112
13V34.8Very low36Very low139 Ų139150 Ų15084%0.84278%0.781SS**SBendtrans80.5132175.7-170.80000117.1
14L34.6Very low36.4Very low163 Ų163145.7 Ų145.785%0.85378%0.784SS**  trans44.976.8166.8-97.869.1000122.1
15P40.3Very low36.2Very low125 Ų125147.5 Ų147.581%0.81278%0.781SS**  trans-110.197.915434.6-24.4000111.9
16L37.3Very low36.1Very low165 Ų165144.6 Ų144.686%0.86479%0.785SS**SBendtrans-156.4-2.2174.1-118.2170.4000118.8
17L39.4Very low36.1Very low155 Ų155141 Ų14181%0.81279%0.787SS**SBendtrans-133.1-30.2-175.8-95.9169.5000117.9
18L40.4Very low36Very low134 Ų134140 Ų14070%0.70279%0.792SS**G310 helixtrans-101.914.2-169.9-73.5168.3000116W20 F21L18-W20 PolarHBondContact O-N 2.72Å; L18-F21 HydrophobicContact CD2-CB 3.97Å; L18-F21 HydrophobicContact CD2-CD2 3.87Å; L18-F21 HydrophobicContact CD2-CG 4.18Å; L18-F21 PolarHBondContact O-N 3.11Å
19V46.3Very low36Very low132 Ų132139.8 Ų139.880%0.879%0.794SS**G310 helixtrans-62.2-18.6161.61770000111.2F21V19-F21 VanDerWaalsContact C-N 3.29Å; V19-F21 PolarHBondContact O-N 3.29Å
20W42.3Very low36Very low236 Ų236144.9 Ų144.989%0.89480%0.8SS**G310 helixtrans-70.6-18170.5-124.762000114.4L18L18-W20 PolarHBondContact O-N 2.72Å
21F38.2Very low36.6Very low154 Ų154140.6 Ų140.668%0.67580%0.797SS**G310 helixtrans-110.437.8-179.7-94.8-92.6000112.3L18 V19 A23L18-F21 HydrophobicContact CD2-CB 3.97Å; L18-F21 HydrophobicContact CD2-CD2 3.87Å; L18-F21 HydrophobicContact CD2-CG 4.18Å; L18-F21 PolarHBondContact O-N 3.11Å; V19-F21 VanDerWaalsContact C-N 3.29Å; V19-F21 PolarHBondContact O-N 3.29Å; F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 3.27Å
22Y42.5Very low37.6Very low216 Ų216142.9 Ų142.985%0.84779%0.794SS**SBendtrans-61.5101.8154.8-123-86.3000107.4A24Y22-A24 PolarHBondContact O-N 3.4Å; Y22-A24 VanDerWaalsContact O-N 3.1Å
23A38.7Very low39.4Very low84 Ų84144.8 Ų144.869%0.69478%0.784SS**  trans-51.8117.1-154.400000112.7F21 R25F21-A23 VanDerWaalsContact C-N 3.32Å; F21-A23 PolarHBondContact O-N 3.27Å; A23-R25 VanDerWaalsContact C-N 3.33Å; A23-R25 PolarHBondContact O-N 3.43Å
24A33.1Very low41.7Very low95 Ų95140.7 Ų140.779%0.78576%0.755SS**  trans-61.498168.800000108.2Y22 P26Y22-A24 PolarHBondContact O-N 3.4Å; Y22-A24 VanDerWaalsContact O-N 3.1Å; A24-P26 WeakPolarHBondContact O-CD 3.37Å
25R30.1Very low44.4Very low228 Ų228134.3 Ų134.386%0.8672%0.722SS**  trans-57.2120.6151.2-74.5-176.5173.9-175.9-2.9105.3A23 S27A23-R25 VanDerWaalsContact C-N 3.33Å; A23-R25 PolarHBondContact O-N 3.43Å; R25-S27 VanDerWaalsContact C-N 3.31Å; R25-S27 PolarHBondContact O-N 3.27Å
26P32.8Very low46.9Very low113 Ų113128.4 Ų128.473%0.73468%0.683SS**  trans-58.2110.1152.126.8-30.6000105.1A24 S28A24-P26 WeakPolarHBondContact O-CD 3.37Å; P26-S28 VanDerWaalsContact C-N 3.33Å; P26-S28 PolarHBondContact O-N 2.82Å
27S31.4Very low49.6Very low104 Ų104121.4 Ų121.473%0.72765%0.647SS**  trans-51.8110.5154.7-67.60000104.6R25 C29R25-S27 VanDerWaalsContact C-N 3.31Å; R25-S27 PolarHBondContact O-N 3.27Å; S27-C29 PolarHBondContact O-N 2.64Å; S27-C29 PolarHBondContact O-SG 2.99Å; S27-C29 VanDerWaalsContact O-SG 3.39Å
28S33.4Very low52.2Low112 Ų112114 Ų11478%0.78361%0.608SS**  trans-48.9115.1-176.1176.80000107.4P26 R30P26-S28 VanDerWaalsContact C-N 3.33Å; P26-S28 PolarHBondContact O-N 2.82Å; S28-R30 PolarHBondContact O-N 3.24Å
29C32Very low54.7Low119 Ų119108.9 Ų108.980%0.80458%0.579SS**  trans-74.282.3-172.5-73.10000107.1S27 A31S27-C29 PolarHBondContact O-N 2.64Å; S27-C29 PolarHBondContact O-SG 2.99Å; S27-C29 VanDerWaalsContact O-SG 3.39Å; C29-A31 PolarHBondContact O-N 3.03Å
30R33.5Very low57Low229 Ų229102.6 Ų102.686%0.86454%0.541SS*.  trans-41.5108.4156.6-83-177165.2-179.2-5.5105.6S28 T32S28-R30 PolarHBondContact O-N 3.24Å; R30-T32 PolarHBondContact O-N 3.31Å
31A45.7Very low59.4Low95 Ų9591.8 Ų91.879%0.78550%0.5SS*.  trans-51.6112.6-171.900000107.6C29 Q33C29-A31 PolarHBondContact O-N 3.03Å; A31-Q33 PolarHBondContact O-N 3.03Å
32T53.5Low62Low132 Ų13284.4 Ų84.481%0.8147%0.468SS*.  trans-63.2109.1-167.144.20000107.8R30 K34R30-T32 PolarHBondContact O-N 3.31Å; T32-K34 PolarHBondContact O-N 3.45Å
33Q66.2Low64.2Low110 Ų11078.2 Ų78.251%0.51445%0.446SS..  trans-58.7111-159.7-162.1176.529.900109.9A31 N35A31-Q33 PolarHBondContact O-N 3.03Å; Q33-N35 PolarHBondContact O-N 2.68Å; Q33-N35 PolarHBondContact O-ND2 3.32Å
34K83.6Confident66.6Low54 Ų5474.7 Ų74.724%0.23541%0.414CS..  trans-60.5134.3-170.1-52.9174.9-164.6173.20110T32 M1194 S1195 A1197T32-K34 PolarHBondContact O-N 3.45Å; K34-M1194 HydrophobicContact CB-CE 3.62Å; K34-M1194 WeakPolarHBondContact CD-O 3.32Å; K34-M1194 PolarHBondContact NZ-O 2.91Å; K34-M1194 WeakPolarHBondContact O-CE 3.2Å; K34-S1195 PolarHBondContact NZ-O 3.19Å; K34-A1197 VanDerWaalsContact CD-O 3.31Å; K34-A1197 WeakPolarHBondContact CD-O 3.4Å; K34-A1197 WeakPolarHBondContact CE-O 3.47Å; K34-A1197 PolarHBondContact NZ-O 2.94Å
35N91.2Very high69.1Low29 Ų2971.5 Ų71.516%0.15539%0.388CS..  trans-110.5154.9-177.7-53.9-91.7000110.8Q33 I37 R1158 F1159 S1160 D1200 V1201Q33-N35 PolarHBondContact O-N 2.68Å; Q33-N35 PolarHBondContact O-ND2 3.32Å; N35-I37 HydrophobicContact CB-CD1 4.27Å; N35-I37 HydrophobicContact CB-CG1 4.02Å; N35-R1158 HydrophobicContact CB-CG 4.27Å; N35-F1159 VanDerWaalsContact CA-O 3.29Å; N35-F1159 WeakPolarHBondContact CA-O 3.4Å; N35-F1159 WeakPolarHBondContact CB-O 3.1Å; N35-S1160 VanDerWaalsContact OD1-CB 3.31Å; N35-S1160 WeakPolarHBondContact OD1-CB 3.14Å; N35-D1200 WeakPolarHBondContact CB-OD1 3.33Å; N35-D1200 PolarHBondContact N-OD1 3.35Å; N35-D1200 PolarHBondContact ND2-OD1 3.11Å; N35-D1200 PolarHBondContact ND2-OD2 3.44Å; N35-D1200 CarbonylContact O-C 3.56Å; N35-D1200 WeakPolarHBondContact O-CA 3.26Å; N35-V1201 PolarHBondContact O-N 3.01Å
36V93.2Very high71.8Confident0 Ų061.7 Ų61.70%035%0.353CS..EExtended strand (participates in β ladder)trans-102.7125.4160.3-175.90000107.5L263 R1158 F1159 L1162 L1170 I1192 M1194 V1201V36-L263 HydrophobicContact CG1-CD1 4.44Å; V36-L263 HydrophobicContact CG2-CD2 4.36Å; V36-R1158 WeakPolarHBondContact O-CA 3.29Å; V36-F1159 HydrophobicContact CB-CB 4.26Å; V36-F1159 HydrophobicContact CB-CD2 4.25Å; V36-F1159 HydrophobicContact CG1-CD2 4.44Å; V36-F1159 PolarHBondContact N-O 3.18Å; V36-F1159 PolarHBondContact O-N 3.33Å; V36-L1162 HydrophobicContact CB-CD1 4.21Å; V36-L1162 HydrophobicContact CG2-CD1 3.56Å; V36-L1170 HydrophobicContact CG1-CD1 3.43Å; V36-L1170 VanDerWaalsContact CG1-CD1 3.43Å; V36-I1192 HydrophobicContact CG1-CD1 4.14Å; V36-I1192 HydrophobicContact CG2-CG2 4.18Å; V36-M1194 HydrophobicContact CG2-CE 4.04Å; V36-M1194 HydrophobicContact CG2-SD 3.5Å; V36-M1194 WeakPolarHBondContact CG2-SD 3.45Å; V36-V1201 WeakPolarHBondContact CA-O 3.43Å; V36-V1201 HydrophobicContact CG1-CB 4.44Å; V36-V1201 HydrophobicContact CG1-CG1 4.42Å; V36-V1201 HydrophobicContact CG2-CB 4.22Å
37I94.2Very high74.4Confident19 Ų1956.6 Ų56.610%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-127.4127-175.1-58.4178.7000109N35 A1157 R1158 D1200 V1201 V1202 G1203N35-I37 HydrophobicContact CB-CD1 4.27Å; N35-I37 HydrophobicContact CB-CG1 4.02Å; I37-A1157 WeakPolarHBondContact CA-O 3.38Å; I37-R1158 HydrophobicContact CG1-CG 4.22Å; I37-D1200 HydrophobicContact CD1-CB 4.46Å; I37-D1200 WeakPolarHBondContact CD1-OD2 3.43Å; I37-V1201 PolarHBondContact N-O 3.02Å; I37-V1202 HydrophobicContact CB-CG2 4.42Å; I37-V1202 CarbonylContact O-C 3.58Å; I37-V1202 WeakPolarHBondContact O-CA 3.29Å; I37-G1203 PolarHBondContact O-N 3.36Å
38A93.9Very high77.1Confident0 Ų052.1 Ų52.10%029%0.288CS..EExtended strand (participates in β ladder)trans-136.3143.3174.500000112.4V261 A1157 L1170 G1203 F1205A38-V261 HydrophobicContact CB-CG1 4.1Å; A38-V261 HydrophobicContact CB-CG2 4.15Å; A38-A1157 PolarHBondContact N-O 2.86Å; A38-A1157 PolarHBondContact O-N 3.05Å; A38-L1170 HydrophobicContact CB-CD1 3.95Å; A38-L1170 HydrophobicContact CB-CD2 4.11Å; A38-G1203 VanDerWaalsContact CA-O 3.27Å; A38-G1203 WeakPolarHBondContact CA-O 3.31Å; A38-F1205 HydrophobicContact CB-CE2 4.21Å
39Y93.4Very high79.7Confident26 Ų2647.3 Ų47.310%0.10225%0.254CS..EExtended strand (participates in β ladder)trans-150.3153.4176.265.1-83000112.9Y259 R1153 V1156 V1202 G1203 I1204 F1205Y39-Y259 WeakPolarHBondContact CA-OH 3.32Å; Y39-R1153 PolarHBondContact OH-NH1 3.05Å; Y39-V1156 HydrophobicContact CD1-CG1 4.33Å; Y39-V1156 HydrophobicContact CG-CG1 4.18Å; Y39-V1202 HydrophobicContact CE1-CG1 4.3Å; Y39-G1203 PolarHBondContact N-O 3.18Å; Y39-I1204 HydrophobicContact CE1-CD1 4.3Å; Y39-I1204 HydrophobicContact CE1-CG1 3.79Å; Y39-I1204 HydrophobicContact CE2-CG2 4.01Å; Y39-I1204 WeakPolarHBondContact OH-CD1 3.41Å; Y39-F1205 PolarHBondContact O-N 3.17Å
40V94.3Very high82.5Confident0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-106.7133.3177.8-169.90000110L256 Y259 V1172 W1178 V1180 F1205 L1207V40-L256 HydrophobicContact CB-CB 4.43Å; V40-L256 HydrophobicContact CG1-CB 4.46Å; V40-L256 HydrophobicContact CG1-CD1 4.18Å; V40-L256 PolarHBondContact O-N 2.8Å; V40-Y259 HydrophobicContact CB-CD1 3.87Å; V40-Y259 HydrophobicContact CB-CE1 3.64Å; V40-Y259 HydrophobicContact CB-CG 4.5Å; V40-Y259 HydrophobicContact CG2-CD1 3.6Å; V40-Y259 HydrophobicContact CG2-CD2 3.85Å; V40-Y259 HydrophobicContact CG2-CE1 3.64Å; V40-Y259 HydrophobicContact CG2-CE2 3.89Å; V40-Y259 HydrophobicContact CG2-CG 3.73Å; V40-Y259 PolarHBondContact N-OH 3.09Å; V40-V1172 HydrophobicContact CG2-CG1 3.8Å; V40-W1178 HydrophobicContact CG1-CZ3 4.46Å; V40-V1180 HydrophobicContact CG1-CG1 3.92Å; V40-V1180 HydrophobicContact CG1-CG2 4.29Å; V40-V1180 HydrophobicContact CG2-CG1 4.23Å; V40-F1205 CarbonylContact C-O 3.53Å; V40-F1205 WeakPolarHBondContact CA-O 3.19Å; V40-F1205 HydrophobicContact CB-CB 4.45Å; V40-F1205 HydrophobicContact CG1-CB 4.49Å; V40-F1205 HydrophobicContact CG2-CB 4Å; V40-L1207 HydrophobicContact CG1-CB 4.5Å
41Q92.9Very high85.2Confident8 Ų831 Ų314%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-115.2165.1171.873.6-167100111.7K253 V254 F1205 E1206 L1207Q41-K253 HydrophobicContact CB-CB 4.24Å; Q41-K253 HydrophobicContact CG-CB 4.32Å; Q41-K253 HydrophobicContact CG-CD 4.1Å; Q41-V254 CarbonylContact C-O 3.6Å; Q41-V254 WeakPolarHBondContact CA-O 3.03Å; Q41-F1205 PolarHBondContact N-O 2.88Å; Q41-E1206 HydrophobicContact CG-CB 4.23Å; Q41-E1206 HydrophobicContact CG-CG 4.07Å; Q41-E1206 PolarHBondContact NE2-OE2 2.99Å; Q41-E1206 CarbonylContact O-C 3.57Å; Q41-E1206 WeakPolarHBondContact O-CA 3.13Å; Q41-L1207 PolarHBondContact O-N 3.13Å
42S92Very high87.4Confident0 Ų026.6 Ų26.60%014%0.139CC..EExtended strand (participates in β ladder)trans-83.2154.6174.252.10000112.9W44 K253 V254S42-W44 VanDerWaalsContact C-N 3.3Å; S42-W44 PolarHBondContact OG-O 2.94Å; S42-K253 VanDerWaalsContact O-CD 3.24Å; S42-K253 WeakPolarHBondContact O-CD 3.4Å; S42-K253 WeakPolarHBondContact O-CG 3.31Å; S42-V254 PolarHBondContact N-O 3.28Å; S42-V254 WeakPolarHBondContact OG-CA 3.4Å; S42-V254 WeakPolarHBondContact OG-CB 3.17Å; S42-V254 WeakPolarHBondContact OG-CG2 3.28Å; S42-V254 PolarHBondContact OG-N 3.29Å; S42-V254 PolarHBondContact OG-O 3.45Å
43K89.4Confident89.3Confident85 Ų8520.3 Ų20.337%0.3710%0.1SC..EExtended strand (participates in β ladder)trans-69-28168.5-168.8163.9-176165.70112.8E1206 L1207 E1208K43-E1206 WeakPolarHBondContact CA-OE1 3.32Å; K43-L1207 WeakPolarHBondContact CB-O 3.45Å; K43-L1207 PolarHBondContact N-O 2.97Å; K43-E1208 HydrophobicContact CD-CG 3.99Å; K43-E1208 WeakPolarHBondContact CD-O 3.43Å; K43-E1208 IonicContact NZ-OE1 3.44Å; K43-E1208 PolarHBondContact NZ-OE1 3.07Å
44W89.1Confident90.6Very high10 Ų1015 Ų154%0.0388%0.076CC..EExtended strand (participates in β ladder)trans-84.4168.31755993.1000112.8S42 S138 P139 E142 L1207 P1258 F1297S42-W44 VanDerWaalsContact C-N 3.3Å; S42-W44 PolarHBondContact OG-O 2.94Å; W44-S138 PolarHBondContact NE1-OG 3.38Å; W44-P139 HydrophobicContact CH2-CG 4.37Å; W44-P139 HydrophobicContact CZ2-CG 4.03Å; W44-E142 HydrophobicContact CB-CB 4.38Å; W44-E142 VanDerWaalsContact CB-CD 3.45Å; W44-E142 HydrophobicContact CB-CG 3.77Å; W44-E142 HydrophobicContact CD2-CB 4.24Å; W44-E142 HydrophobicContact CD2-CG 4.05Å; W44-E142 HydrophobicContact CE3-CG 4.43Å; W44-E142 HydrophobicContact CG-CB 3.97Å; W44-E142 HydrophobicContact CG-CG 3.78Å; W44-L1207 HydrophobicContact CH2-CD2 3.81Å; W44-L1207 HydrophobicContact CZ3-CD2 4.18Å; W44-P1258 HydrophobicContact CE3-CG 4.07Å; W44-P1258 HydrophobicContact CH2-CG 3.75Å; W44-P1258 HydrophobicContact CZ2-CG 4.24Å; W44-P1258 HydrophobicContact CZ3-CG 3.66Å; W44-F1297 AromaticContact CH2-CE1 3.86Å; W44-F1297 HydrophobicContact CH2-CE1 3.86Å; W44-F1297 AromaticContact CZ2-CE1 3.82Å; W44-F1297 HydrophobicContact CZ2-CE1 3.82Å; W44-F1297 HydrophobicContact CZ2-CZ 4.1Å
45A86Confident91Very high28 Ų2813.1 Ų13.123%0.2317%0.068CC..EExtended strand (participates in β ladder)trans-87.9163.9-176.500000112.7T47 L243 G252A45-T47 PolarHBondContact O-N 2.94Å; A45-L243 HydrophobicContact CB-CD2 3.97Å; A45-G252 CarbonylContact C-O 3.47Å; A45-G252 WeakPolarHBondContact CA-O 3.48Å; A45-G252 WeakPolarHBondContact CB-O 3.27Å
46D85.4Confident91.1Very high23 Ų2311.8 Ų11.812%0.1236%0.06CC..PPolyproline II helixtrans-60.3130.1-170.3-167.355.9000114.1R135 G252D46-R135 IonicContact OD1-CZ 2.64Å; D46-R135 IonicContact OD1-NH2 3.9Å; D46-R135 PolarHBondContact OD1-NH2 2.87Å; D46-R135 IonicContact OD2-NH2 2.85Å; D46-G252 PolarHBondContact N-O 3.11Å
47T88.7Confident91.1Very high5 Ų511.8 Ų11.83%0.0316%0.06CC..PPolyproline II helixtrans-99.9129.8-167.839.20000112.4A45 L49 E52 R135 S138 V141 V254A45-T47 PolarHBondContact O-N 2.94Å; T47-L49 PolarHBondContact O-N 2.72Å; T47-E52 VanDerWaalsContact CB-OE1 3.23Å; T47-E52 WeakPolarHBondContact CB-OE1 3.49Å; T47-E52 PolarHBondContact OG1-OE1 3.25Å; T47-R135 PolarHBondContact O-NH1 3.39Å; T47-R135 PolarHBondContact O-NH2 3.14Å; T47-S138 WeakPolarHBondContact CG2-OG 3.33Å; T47-S138 WeakPolarHBondContact OG1-CB 3.05Å; T47-S138 PolarHBondContact OG1-OG 3.29Å; T47-V141 HydrophobicContact CG2-CB 3.86Å; T47-V141 HydrophobicContact CG2-CG1 3.8Å; T47-V254 HydrophobicContact CG2-CG2 4.31Å; T47-V254 WeakPolarHBondContact OG1-CG2 3.37Å
48P87.1Confident90.7Very high10 Ų1011.6 Ų11.67%0.0656%0.061CC..PPolyproline II helixtrans-65131.9-174.8-23.633.8000114.2V50 V51 E52P48-V50 VanDerWaalsContact C-N 3.25Å; P48-V50 PolarHBondContact O-N 2.88Å; P48-V51 HydrophobicContact CB-CG2 4.19Å; P48-V51 PolarHBondContact O-N 2.75Å; P48-E52 PolarHBondContact O-N 3.31Å
49L88.6Confident90.3Very high12 Ų1214.8 Ų14.86%0.0638%0.076CC..Hα-helixtrans-57.7-32.6-178.2-69.7171.3000113.7T47 V51 A53 L111 L132 L1143T47-L49 PolarHBondContact O-N 2.72Å; L49-V51 VanDerWaalsContact C-N 3.28Å; L49-V51 PolarHBondContact O-N 2.85Å; L49-A53 VanDerWaalsContact O-CB 3.24Å; L49-A53 WeakPolarHBondContact O-CB 2.98Å; L49-A53 PolarHBondContact O-N 3.45Å; L49-L111 HydrophobicContact CB-CD1 3.88Å; L49-L132 HydrophobicContact CD2-CD2 4.37Å; L49-L1143 HydrophobicContact CD1-CD1 4.05Å; L49-L1143 HydrophobicContact CD2-CD1 3.76Å
50V89.7Confident89.7Confident6 Ų614 Ų144%0.0367%0.073CC..Hα-helixtrans-65.1-33.2177.3173.40000112P48 S54 L72 M107 L111 L212P48-V50 VanDerWaalsContact C-N 3.25Å; P48-V50 PolarHBondContact O-N 2.88Å; V50-S54 PolarHBondContact O-N 3.5Å; V50-S54 PolarHBondContact O-OG 3.39Å; V50-L72 HydrophobicContact CG1-CD2 3.95Å; V50-M107 HydrophobicContact CG2-CE 3.45Å; V50-M107 VanDerWaalsContact CG2-CE 3.45Å; V50-M107 HydrophobicContact CG2-SD 3.96Å; V50-L111 HydrophobicContact CG2-CD1 4.02Å; V50-L111 HydrophobicContact CG2-CD2 4.09Å; V50-L111 HydrophobicContact CG2-CG 4.25Å; V50-L212 HydrophobicContact CG1-CB 4.18Å; V50-L212 HydrophobicContact CG1-CD1 4.02Å
51V90.9Very high88.9Confident0 Ų015.1 Ų15.10%09%0.085CC..Hα-helixtrans-77.8-41.3-179.5-176.70000110.8P48 L49 A53 S54 E55 V141 H239P48-V51 HydrophobicContact CB-CG2 4.19Å; P48-V51 PolarHBondContact O-N 2.75Å; L49-V51 VanDerWaalsContact C-N 3.28Å; L49-V51 PolarHBondContact O-N 2.85Å; V51-A53 VanDerWaalsContact C-N 3.29Å; V51-A53 PolarHBondContact O-N 3.42Å; V51-S54 WeakPolarHBondContact CA-OG 3.45Å; V51-S54 PolarHBondContact O-N 2.83Å; V51-S54 PolarHBondContact O-OG 3.07Å; V51-E55 PolarHBondContact O-N 2.91Å; V51-V141 HydrophobicContact CB-CG1 4.43Å; V51-V141 HydrophobicContact CB-CG2 4.2Å; V51-V141 HydrophobicContact CG1-CB 4.32Å; V51-V141 HydrophobicContact CG1-CG1 3.87Å; V51-V141 HydrophobicContact CG1-CG2 3.61Å; V51-H239 HydrophobicContact CG1-CB 4.16Å
52E92.1Very high87.9Confident1 Ų119.2 Ų19.21%0.00511%0.107CC..Hα-helixtrans-64.4-35.6172.1-70.2176.4-166.900112T47 P48 E55 F56 L132 R135 S138 V141T47-E52 VanDerWaalsContact CB-OE1 3.23Å; T47-E52 WeakPolarHBondContact CB-OE1 3.49Å; T47-E52 PolarHBondContact OG1-OE1 3.25Å; P48-E52 PolarHBondContact O-N 3.31Å; E52-E55 PolarHBondContact O-N 3.4Å; E52-F56 PolarHBondContact O-N 3.02Å; E52-L132 HydrophobicContact CB-CD2 4.01Å; E52-R135 IonicContact OE1-CZ 3.82Å; E52-R135 IonicContact OE1-NH1 2.73Å; E52-R135 PolarHBondContact OE1-NH1 2.86Å; E52-R135 IonicContact OE2-CZ 2.71Å; E52-R135 IonicContact OE2-NE 2.77Å; E52-R135 IonicContact OE2-NH1 3.75Å; E52-R135 PolarHBondContact OE2-NH1 3.09Å; E52-S138 WeakPolarHBondContact OE1-CA 2.86Å; E52-S138 VanDerWaalsContact OE1-CB 3.29Å; E52-S138 WeakPolarHBondContact OE1-CB 3.5Å; E52-V141 HydrophobicContact CG-CG2 3.85Å
53A93.6Very high87.2Confident0 Ų022 Ų220%014%0.136CC..Hα-helixtrans-65.2-40.1173.200000112.5L49 V51 F56 M57 F68 L111 F128 L132L49-A53 VanDerWaalsContact O-CB 3.24Å; L49-A53 WeakPolarHBondContact O-CB 2.98Å; L49-A53 PolarHBondContact O-N 3.45Å; V51-A53 VanDerWaalsContact C-N 3.29Å; V51-A53 PolarHBondContact O-N 3.42Å; A53-F56 PolarHBondContact O-N 3.25Å; A53-M57 VanDerWaalsContact O-CG 3.28Å; A53-M57 WeakPolarHBondContact O-CG 3.45Å; A53-M57 PolarHBondContact O-N 3.13Å; A53-F68 HydrophobicContact CB-CE2 4.23Å; A53-F68 HydrophobicContact CB-CZ 3.97Å; A53-L111 HydrophobicContact CB-CD1 4.07Å; A53-L111 HydrophobicContact CB-CD2 3.64Å; A53-L111 HydrophobicContact CB-CG 4.38Å; A53-F128 HydrophobicContact CB-CE2 3.73Å; A53-F128 HydrophobicContact CB-CZ 3.74Å; A53-L132 HydrophobicContact CB-CD2 4.32Å
54S93.1Very high87Confident0 Ų020.6 Ų20.60%013%0.129CC..Hα-helixtrans-66.9-37.8174.450.10000112.5V50 V51 M57 A58 L212 H239V50-S54 PolarHBondContact O-N 3.5Å; V50-S54 PolarHBondContact O-OG 3.39Å; V51-S54 WeakPolarHBondContact CA-OG 3.45Å; V51-S54 PolarHBondContact O-N 2.83Å; V51-S54 PolarHBondContact O-OG 3.07Å; S54-M57 CarbonylContact O-C 3.53Å; S54-M57 WeakPolarHBondContact O-CB 2.89Å; S54-M57 PolarHBondContact O-N 2.64Å; S54-M57 VanDerWaalsContact O-N 3.1Å; S54-A58 PolarHBondContact O-N 2.96Å; S54-L212 WeakPolarHBondContact OG-CD1 3.41Å; S54-H239 PolarHBondContact OG-CE1 2.92Å; S54-H239 PolarHBondContact OG-NE2 3.3Å
55E92.4Very high87Confident14 Ų1420.1 Ų20.17%0.06513%0.127CC..Hα-helixtrans-66.6-35.7175.6-72.1-58.115000113V51 E52 M57 A58 H59 Y137 Y144 H193 H239V51-E55 PolarHBondContact O-N 2.91Å; E52-E55 PolarHBondContact O-N 3.4Å; E55-M57 VanDerWaalsContact C-N 3.3Å; E55-M57 PolarHBondContact O-N 3.16Å; E55-A58 PolarHBondContact O-N 2.89Å; E55-H59 WeakPolarHBondContact O-CB 3.48Å; E55-H59 PolarHBondContact O-N 3.09Å; E55-Y137 HydrophobicContact CB-CD1 3.71Å; E55-Y137 HydrophobicContact CB-CG 3.83Å; E55-Y144 WeakPolarHBondContact OE1-CE2 3.2Å; E55-Y144 PolarHBondContact OE1-OH 3.37Å; E55-H193 IonicContact OE1-CD2 3.33Å; E55-H193 IonicContact OE1-CE1 2.8Å; E55-H193 IonicContact OE1-NE2 3.27Å; E55-H193 PolarHBondContact OE1-NE2 2.79Å; E55-H193 IonicContact OE2-CE1 2.74Å; E55-H193 IonicContact OE2-NE2 2.72Å; E55-H239 IonicContact OE1-CD2 3.46Å; E55-H239 PolarHBondContact OE1-CD2 3.15Å; E55-H239 IonicContact OE1-NE2 3.63Å; E55-H239 PolarHBondContact OE1-NE2 2.74Å
56F93Very high87.1Confident1 Ų119.9 Ų19.90%0.00412%0.12CC..Hα-helixtrans-56-47.4167.2-177.3-76000111E52 A53 A58 H59 E60 L119 F128 A131 Y137 K444E52-F56 PolarHBondContact O-N 3.02Å; A53-F56 PolarHBondContact O-N 3.25Å; F56-A58 VanDerWaalsContact C-N 3.31Å; F56-A58 PolarHBondContact O-N 3.4Å; F56-H59 PolarHBondContact O-N 3.46Å; F56-E60 HydrophobicContact CD1-CG 3.93Å; F56-E60 HydrophobicContact CE1-CG 3.6Å; F56-E60 HydrophobicContact CZ-CG 4.36Å; F56-E60 WeakPolarHBondContact O-CG 3.35Å; F56-E60 PolarHBondContact O-N 2.95Å; F56-L119 HydrophobicContact CE1-CD1 4.1Å; F56-L119 HydrophobicContact CE1-CD2 4.26Å; F56-F128 HydrophobicContact CB-CD2 4.14Å; F56-F128 HydrophobicContact CB-CE2 4.41Å; F56-F128 HydrophobicContact CD1-CB 4.45Å; F56-F128 AromaticContact CD1-CD2 3.68Å; F56-F128 HydrophobicContact CD1-CD2 3.68Å; F56-F128 HydrophobicContact CD1-CE2 4.5Å; F56-F128 HydrophobicContact CD2-CD2 4.15Å; F56-F128 HydrophobicContact CE1-CB 4.03Å; F56-F128 HydrophobicContact CE1-CD2 4.09Å; F56-F128 HydrophobicContact CE2-CB 4.1Å; F56-F128 AromaticContact CG-CD2 3.73Å; F56-F128 HydrophobicContact CG-CD2 3.73Å; F56-F128 HydrophobicContact CG-CE2 4.47Å; F56-F128 HydrophobicContact CZ-CB 3.85Å; F56-A131 HydrophobicContact CD2-CB 3.55Å; F56-A131 HydrophobicContact CE2-CB 3.77Å; F56-Y137 HydrophobicContact CB-CD2 4.24Å; F56-Y137 HydrophobicContact CB-CE2 3.66Å; F56-Y137 AromaticContact CD2-CE2 3.81Å; F56-Y137 HydrophobicContact CD2-CE2 3.81Å; F56-Y137 HydrophobicContact CG-CE2 4.19Å; F56-K444 HydrophobicContact CE2-CD 4.42Å
57M92.3Very high87.2Confident0 Ų022.6 Ų22.60%013%0.131CC..Hα-helixtrans-66.9-31.3-179.5-60.4-68.6171.600112.2A53 S54 E55 G61 Y64 F65 F68 A115 V118 L119 F128A53-M57 VanDerWaalsContact O-CG 3.28Å; A53-M57 WeakPolarHBondContact O-CG 3.45Å; A53-M57 PolarHBondContact O-N 3.13Å; S54-M57 CarbonylContact O-C 3.53Å; S54-M57 WeakPolarHBondContact O-CB 2.89Å; S54-M57 PolarHBondContact O-N 2.64Å; S54-M57 VanDerWaalsContact O-N 3.1Å; E55-M57 VanDerWaalsContact C-N 3.3Å; E55-M57 PolarHBondContact O-N 3.16Å; M57-G61 PolarHBondContact O-N 3.23Å; M57-Y64 WeakPolarHBondContact O-CB 3.44Å; M57-F65 PolarHBondContact O-N 3Å; M57-F68 HydrophobicContact CB-CB 4.21Å; M57-F68 HydrophobicContact CE-CD2 4.19Å; M57-F68 HydrophobicContact CG-CB 3.95Å; M57-F68 HydrophobicContact CG-CD2 3.84Å; M57-F68 HydrophobicContact CG-CG 3.97Å; M57-A115 HydrophobicContact CE-CB 3.89Å; M57-V118 HydrophobicContact CE-CB 4.43Å; M57-V118 HydrophobicContact CE-CG1 4.29Å; M57-V118 HydrophobicContact SD-CB 4.3Å; M57-V118 HydrophobicContact SD-CG1 3.53Å; M57-V118 VanDerWaalsContact SD-CG1 3.53Å; M57-L119 HydrophobicContact CE-CD1 3.97Å; M57-L119 HydrophobicContact CE-CD2 4.28Å; M57-L119 HydrophobicContact CE-CG 3.97Å; M57-L119 HydrophobicContact SD-CD2 3.76Å; M57-L119 HydrophobicContact SD-CG 4.08Å; M57-F128 HydrophobicContact CE-CD2 3.98Å; M57-F128 HydrophobicContact CE-CE2 3.78Å; M57-F128 HydrophobicContact CE-CZ 4.35Å
58A86.5Confident87.2Confident14 Ų1422.3 Ų22.312%0.11613%0.129CC..Hα-helixtrans-70.6-40.4173.400000112.9S54 E55 F56 E60 G61 F65 H193S54-A58 PolarHBondContact O-N 2.96Å; E55-A58 PolarHBondContact O-N 2.89Å; F56-A58 VanDerWaalsContact C-N 3.31Å; F56-A58 PolarHBondContact O-N 3.4Å; A58-E60 VanDerWaalsContact C-N 3.26Å; A58-E60 PolarHBondContact O-N 2.94Å; A58-G61 CarbonylContact O-C 3.6Å; A58-G61 WeakPolarHBondContact O-CA 3.09Å; A58-G61 PolarHBondContact O-N 3.32Å; A58-F65 HydrophobicContact CB-CB 4.03Å; A58-F65 HydrophobicContact CB-CD2 3.96Å; A58-F65 HydrophobicContact CB-CG 4.28Å; A58-H193 WeakPolarHBondContact CB-CE1 3.28Å
59H84.8Confident87.3Confident68 Ų6822.1 Ų22.132%0.31513%0.127SC..Hα-helixtrans-63.9-32.5174.7-169.1-57.2000111.8E55 F56 G61 Y137 D441 K444 R1304E55-H59 WeakPolarHBondContact O-CB 3.48Å; E55-H59 PolarHBondContact O-N 3.09Å; F56-H59 PolarHBondContact O-N 3.46Å; H59-G61 PolarHBondContact O-N 3.27Å; H59-Y137 HydrophobicContact CB-CE1 3.99Å; H59-Y137 AromaticContact CD2-CE1 3.92Å; H59-D441 IonicContact CE1-OD1 3.81Å; H59-D441 PolarHBondContact CE1-OD1 3.07Å; H59-D441 IonicContact CE1-OD2 3.49Å; H59-D441 PolarHBondContact CE1-OD2 3.43Å; H59-D441 IonicContact ND1-OD1 3.1Å; H59-D441 IonicContact NE2-OD1 3.43Å; H59-D441 PolarHBondContact NE2-OD1 2.98Å; H59-D441 IonicContact NE2-OD2 2.67Å; H59-D441 PolarHBondContact NE2-OD2 2.83Å; H59-K444 PolarHBondContact CE1-NZ 3.06Å; H59-K444 VanDerWaalsContact CE1-NZ 3.28Å; H59-K444 PolarHBondContact ND1-NZ 3Å; H59-R1304 PolarHBondContact NE2-NH2 3.32Å
60E82.7Confident87.1Confident9 Ų925 Ų254%0.04214%0.14CC..Hα-helixtrans-66.5-25.9168.5-68.3-61.2154.700113.3F56 A58 Y64 L119 R124 K444 R448F56-E60 HydrophobicContact CD1-CG 3.93Å; F56-E60 HydrophobicContact CE1-CG 3.6Å; F56-E60 HydrophobicContact CZ-CG 4.36Å; F56-E60 WeakPolarHBondContact O-CG 3.35Å; F56-E60 PolarHBondContact O-N 2.95Å; A58-E60 VanDerWaalsContact C-N 3.26Å; A58-E60 PolarHBondContact O-N 2.94Å; E60-Y64 HydrophobicContact CB-CD2 3.86Å; E60-Y64 HydrophobicContact CB-CE2 4.4Å; E60-Y64 HydrophobicContact CB-CG 4.25Å; E60-L119 HydrophobicContact CG-CD2 4.43Å; E60-R124 VanDerWaalsContact CD-NH2 3.33Å; E60-R124 IonicContact OE1-CZ 3.45Å; E60-R124 IonicContact OE1-NH1 3.33Å; E60-R124 IonicContact OE1-NH2 2.63Å; E60-R124 PolarHBondContact OE1-NH2 3.47Å; E60-R124 VanDerWaalsContact OE1-NH2 3.15Å; E60-R124 IonicContact OE2-CZ 2.71Å; E60-R124 IonicContact OE2-NH1 2.62Å; E60-R124 PolarHBondContact OE2-NH1 2.79Å; E60-R124 IonicContact OE2-NH2 2.72Å; E60-R124 PolarHBondContact OE2-NH2 3.39Å; E60-K444 WeakPolarHBondContact OE1-CE 3.46Å; E60-R448 PolarHBondContact O-NH2 2.89Å; E60-R448 IonicContact OE2-CZ 2.79Å; E60-R448 IonicContact OE2-NE 2.75Å; E60-R448 PolarHBondContact OE2-NE 2.99Å; E60-R448 IonicContact OE2-NH2 3.57Å; E60-R448 PolarHBondContact OE2-NH2 2.98Å
61G75.8Confident87Confident23 Ų2326.1 Ų26.124%0.23715%0.147CC..  trans136.1147.7169.500000111.9M57 A58 H59 G63 Y64 F65M57-G61 PolarHBondContact O-N 3.23Å; A58-G61 CarbonylContact O-C 3.6Å; A58-G61 WeakPolarHBondContact O-CA 3.09Å; A58-G61 PolarHBondContact O-N 3.32Å; H59-G61 PolarHBondContact O-N 3.27Å; G61-G63 PolarHBondContact O-N 2.82Å; G61-Y64 WeakPolarHBondContact O-CB 3.23Å; G61-Y64 PolarHBondContact O-N 3.01Å; G61-F65 PolarHBondContact O-N 3.18Å
62D71.9Confident86.6Confident94 Ų9426.5 Ų26.550%0.50315%0.149SC..Hα-helixtrans-49-32.7-170.2-17.6-25.4000113.9Y64 F65 W66D62-Y64 PolarHBondContact O-N 2.91Å; D62-F65 WeakPolarHBondContact O-CB 3.46Å; D62-F65 PolarHBondContact O-N 2.94Å; D62-W66 PolarHBondContact O-N 3.47Å
63G77.3Confident85.7Confident59 Ų5927.1 Ų27.161%0.60816%0.156SC*.Hα-helixtrans-62.6-35.7175.900000114.3G61 K67G61-G63 PolarHBondContact O-N 2.82Å; G63-K67 VanDerWaalsContact O-CB 3.28Å; G63-K67 WeakPolarHBondContact O-CB 3.47Å; G63-K67 PolarHBondContact O-N 2.69Å
64Y85.6Confident84.5Confident56 Ų5632.6 Ų32.622%0.2218%0.18CC..Hα-helixtrans-74-39.5174.3-66-80.3000111.3M57 E60 G61 D62 K67 F68 V118 D120M57-Y64 WeakPolarHBondContact O-CB 3.44Å; E60-Y64 HydrophobicContact CB-CD2 3.86Å; E60-Y64 HydrophobicContact CB-CE2 4.4Å; E60-Y64 HydrophobicContact CB-CG 4.25Å; G61-Y64 WeakPolarHBondContact O-CB 3.23Å; G61-Y64 PolarHBondContact O-N 3.01Å; D62-Y64 PolarHBondContact O-N 2.91Å; Y64-K67 PolarHBondContact O-N 2.94Å; Y64-F68 VanDerWaalsContact O-CB 3.32Å; Y64-F68 WeakPolarHBondContact O-CB 3.49Å; Y64-F68 PolarHBondContact O-N 2.89Å; Y64-V118 HydrophobicContact CD1-CG1 4.09Å; Y64-D120 PolarHBondContact OH-OD2 3.49Å
65F89.4Confident82.7Confident0 Ų036.5 Ų36.50%020%0.201CC..Hα-helixtrans-54.8-54.2171175.4-91000111.2M57 A58 G61 D62 K67 F68 I69 H193 F237M57-F65 PolarHBondContact O-N 3Å; A58-F65 HydrophobicContact CB-CB 4.03Å; A58-F65 HydrophobicContact CB-CD2 3.96Å; A58-F65 HydrophobicContact CB-CG 4.28Å; G61-F65 PolarHBondContact O-N 3.18Å; D62-F65 WeakPolarHBondContact O-CB 3.46Å; D62-F65 PolarHBondContact O-N 2.94Å; F65-K67 VanDerWaalsContact C-N 3.33Å; F65-K67 PolarHBondContact O-N 3.32Å; F65-F68 WeakPolarHBondContact O-CB 2.98Å; F65-F68 PolarHBondContact O-N 2.9Å; F65-F68 VanDerWaalsContact O-N 3.16Å; F65-I69 HydrophobicContact CD1-CG1 4.26Å; F65-I69 HydrophobicContact CE1-CG1 3.89Å; F65-I69 HydrophobicContact CE2-CG1 4.45Å; F65-I69 HydrophobicContact CZ-CD1 4.18Å; F65-I69 HydrophobicContact CZ-CG1 3.98Å; F65-I69 WeakPolarHBondContact O-CG1 3.06Å; F65-I69 PolarHBondContact O-N 3.24Å; F65-H193 HydrophobicContact CD1-CB 4.24Å; F65-H193 HydrophobicContact CE1-CB 3.88Å; F65-H193 AromaticContact CE2-CD2 3.85Å; F65-H193 AromaticContact CE2-NE2 3.99Å; F65-H193 HydrophobicContact CZ-CB 4.15Å; F65-H193 AromaticContact CZ-CD2 3.87Å; F65-H193 AromaticContact CZ-CG 3.91Å; F65-F237 HydrophobicContact CE1-CD1 4.2Å; F65-F237 HydrophobicContact CE2-CD1 4.48Å; F65-F237 HydrophobicContact CE2-CE1 4.38Å; F65-F237 AromaticContact CZ-CD1 3.54Å; F65-F237 HydrophobicContact CZ-CD1 3.54Å; F65-F237 AromaticContact CZ-CE1 3.72Å; F65-F237 HydrophobicContact CZ-CE1 3.72Å; F65-F237 HydrophobicContact CZ-CG 4.33Å
66W88.2Confident80.8Confident22 Ų2239 Ų398%0.08321%0.213CC..Hα-helixtrans-67-31.6180-64.9118.3000113.3D62 E70 H193 L194 Y195 H221 Y235 F237D62-W66 PolarHBondContact O-N 3.47Å; W66-E70 WeakPolarHBondContact O-CG 3.23Å; W66-E70 PolarHBondContact O-N 3.48Å; W66-H193 HydrophobicContact CZ2-CB 4.33Å; W66-L194 PolarHBondContact NE1-O 3.15Å; W66-Y195 AromaticContact CD2-CD2 3.59Å; W66-Y195 HydrophobicContact CD2-CD2 3.59Å; W66-Y195 HydrophobicContact CD2-CE2 4.08Å; W66-Y195 AromaticContact CE2-CD2 3.63Å; W66-Y195 AromaticContact CE3-CD2 3.76Å; W66-Y195 HydrophobicContact CE3-CD2 3.76Å; W66-Y195 HydrophobicContact CE3-CE2 4.18Å; W66-Y195 HydrophobicContact CG-CD2 4.16Å; W66-Y195 HydrophobicContact CG-CE2 4.32Å; W66-Y195 AromaticContact CH2-CD2 3.98Å; W66-Y195 HydrophobicContact CH2-CD2 3.98Å; W66-Y195 AromaticContact CZ2-CD2 3.83Å; W66-Y195 HydrophobicContact CZ2-CD2 3.83Å; W66-Y195 HydrophobicContact CZ2-CG 4.29Å; W66-Y195 AromaticContact CZ3-CD2 3.96Å; W66-Y195 HydrophobicContact CZ3-CD2 3.96Å; W66-H221 AromaticContact CE3-CE1 3.7Å; W66-H221 AromaticContact CZ3-CE1 3.45Å; W66-H221 VanDerWaalsContact CZ3-CE1 3.45Å; W66-H221 WeakPolarHBondContact CZ3-CE1 3.4Å; W66-H221 AromaticContact CZ3-ND1 3.76Å; W66-Y235 AromaticContact CH2-CE1 3.73Å; W66-Y235 HydrophobicContact CH2-CE1 3.73Å; W66-Y235 AromaticContact CH2-CZ 3.78Å; W66-Y235 HydrophobicContact CZ3-CE1 4.06Å; W66-F237 HydrophobicContact CH2-CB 3.75Å; W66-F237 HydrophobicContact CZ2-CB 4.46Å
67K86.5Confident78.3Confident80 Ų8042.6 Ų42.635%0.34824%0.238SC..Hα-helixtrans-64.5-43.3171-174.7-176.9172.2-166.50111.3G63 Y64 F65 E70 V71 S117 V118G63-K67 VanDerWaalsContact O-CB 3.28Å; G63-K67 WeakPolarHBondContact O-CB 3.47Å; G63-K67 PolarHBondContact O-N 2.69Å; Y64-K67 PolarHBondContact O-N 2.94Å; F65-K67 VanDerWaalsContact C-N 3.33Å; F65-K67 PolarHBondContact O-N 3.32Å; K67-E70 PolarHBondContact O-N 2.98Å; K67-V71 WeakPolarHBondContact O-CG2 3.26Å; K67-V71 PolarHBondContact O-N 2.97Å; K67-S117 VanDerWaalsContact CE-O 3.32Å; K67-S117 WeakPolarHBondContact CE-O 3.11Å; K67-S117 PolarHBondContact NZ-O 2.98Å; K67-V118 HydrophobicContact CD-CG1 4.23Å; K67-V118 HydrophobicContact CG-CG1 4.48Å; K67-V118 HydrophobicContact CG-CG2 4.35Å; K67-V118 PolarHBondContact NZ-O 3.03Å
68F89.9Confident75.7Confident0 Ų047.3 Ų47.30%026%0.263CS..Hα-helixtrans-61-49176.2174.8-90.4000111.6A53 M57 Y64 F65 E70 V71 L72 L111 I114 V118A53-F68 HydrophobicContact CB-CE2 4.23Å; A53-F68 HydrophobicContact CB-CZ 3.97Å; M57-F68 HydrophobicContact CB-CB 4.21Å; M57-F68 HydrophobicContact CE-CD2 4.19Å; M57-F68 HydrophobicContact CG-CB 3.95Å; M57-F68 HydrophobicContact CG-CD2 3.84Å; M57-F68 HydrophobicContact CG-CG 3.97Å; Y64-F68 VanDerWaalsContact O-CB 3.32Å; Y64-F68 WeakPolarHBondContact O-CB 3.49Å; Y64-F68 PolarHBondContact O-N 2.89Å; F65-F68 WeakPolarHBondContact O-CB 2.98Å; F65-F68 PolarHBondContact O-N 2.9Å; F65-F68 VanDerWaalsContact O-N 3.16Å; F68-E70 VanDerWaalsContact C-N 3.32Å; F68-E70 PolarHBondContact O-N 3.31Å; F68-V71 PolarHBondContact O-N 3.31Å; F68-V71 VanDerWaalsContact O-N 3.15Å; F68-L72 HydrophobicContact CE1-CD2 4.33Å; F68-L72 WeakPolarHBondContact O-CB 2.85Å; F68-L72 PolarHBondContact O-N 3.01Å; F68-L111 HydrophobicContact CE2-CD2 3.82Å; F68-L111 HydrophobicContact CZ-CD2 3.6Å; F68-I114 HydrophobicContact CD2-CG2 3.5Å; F68-I114 HydrophobicContact CE2-CB 4.44Å; F68-I114 HydrophobicContact CE2-CG2 3.74Å; F68-I114 HydrophobicContact CG-CG2 4.42Å; F68-V118 HydrophobicContact CB-CG2 4.41Å
69I88.7Confident73.3Confident6 Ų650.5 Ų50.53%0.03128%0.277CS..Hα-helixtrans-57.8-41.7175.3-65-62.6000111.8F65 V71 G73 L212 F217F65-I69 HydrophobicContact CD1-CG1 4.26Å; F65-I69 HydrophobicContact CE1-CG1 3.89Å; F65-I69 HydrophobicContact CE2-CG1 4.45Å; F65-I69 HydrophobicContact CZ-CD1 4.18Å; F65-I69 HydrophobicContact CZ-CG1 3.98Å; F65-I69 WeakPolarHBondContact O-CG1 3.06Å; F65-I69 PolarHBondContact O-N 3.24Å; I69-V71 PolarHBondContact O-N 2.95Å; I69-G73 PolarHBondContact O-N 2.93Å; I69-L212 HydrophobicContact CD1-CD1 3.78Å; I69-L212 HydrophobicContact CD1-CD2 3.51Å; I69-L212 HydrophobicContact CD1-CG 4.32Å; I69-F217 HydrophobicContact CD1-CE1 4.3Å; I69-F217 HydrophobicContact CD1-CZ 4.13Å; I69-F217 HydrophobicContact CG2-CE1 4Å; I69-F217 HydrophobicContact CG2-CZ 3.74Å
70E85.4Confident70.7Confident71 Ų7150.1 Ų50.133%0.33229%0.291SS..Hα-helixtrans-68.4-29.1177-78.5-165.4-179.300114.3W66 K67 F68 K74 K225W66-E70 WeakPolarHBondContact O-CG 3.23Å; W66-E70 PolarHBondContact O-N 3.48Å; K67-E70 PolarHBondContact O-N 2.98Å; F68-E70 VanDerWaalsContact C-N 3.32Å; F68-E70 PolarHBondContact O-N 3.31Å; E70-K74 VanDerWaalsContact O-CD 3.27Å; E70-K74 WeakPolarHBondContact O-CD 3.47Å; E70-K74 WeakPolarHBondContact O-CG 3.16Å; E70-K225 VanDerWaalsContact CG-NZ 3.31Å; E70-K225 WeakPolarHBondContact OE1-CE 3.34Å; E70-K225 IonicContact OE1-NZ 3.54Å; E70-K225 PolarHBondContact OE1-NZ 3.32Å
71V85.7Confident68.1Low31 Ų3153.6 Ų53.619%0.18832%0.316CS..Hα-helixtrans-79.7-40.61751760000110.9K67 F68 I69 G73 K74 N75 I114 V118K67-V71 WeakPolarHBondContact O-CG2 3.26Å; K67-V71 PolarHBondContact O-N 2.97Å; F68-V71 PolarHBondContact O-N 3.31Å; F68-V71 VanDerWaalsContact O-N 3.15Å; I69-V71 PolarHBondContact O-N 2.95Å; V71-G73 PolarHBondContact O-N 3.1Å; V71-K74 PolarHBondContact O-N 3.44Å; V71-N75 PolarHBondContact O-N 3.31Å; V71-I114 HydrophobicContact CB-CG2 4.25Å; V71-I114 HydrophobicContact CG1-CB 4.47Å; V71-I114 HydrophobicContact CG1-CG1 4.07Å; V71-I114 HydrophobicContact CG1-CG2 3.98Å; V71-V118 HydrophobicContact CG2-CG2 4.44Å
72L83.1Confident65.8Low7 Ų756.2 Ų56.24%0.03734%0.343CS..Hα-helixtrans-55.1-54.5179.8-174.167.5000111.3V50 F68 N75 R110 I114 L212V50-L72 HydrophobicContact CG1-CD2 3.95Å; F68-L72 HydrophobicContact CE1-CD2 4.33Å; F68-L72 WeakPolarHBondContact O-CB 2.85Å; F68-L72 PolarHBondContact O-N 3.01Å; L72-N75 PolarHBondContact O-N 2.96Å; L72-R110 PolarHBondContact O-NH2 2.91Å; L72-R110 VanDerWaalsContact O-NH2 3.16Å; L72-I114 HydrophobicContact CD1-CD1 3.75Å; L72-L212 HydrophobicContact CD2-CB 4.36Å; L72-L212 HydrophobicContact CD2-CD1 4.39Å
73G73.3Confident63.9Low15 Ų1558 Ų5816%0.15535%0.351CS..Hα-helixtrans-72.3-28.3-17700000115.1I69 V71 N75 E76 S77I69-G73 PolarHBondContact O-N 2.93Å; V71-G73 PolarHBondContact O-N 3.1Å; G73-N75 VanDerWaalsContact C-N 3.3Å; G73-N75 PolarHBondContact O-N 3.38Å; G73-E76 PolarHBondContact O-N 3.01Å; G73-S77 PolarHBondContact O-N 3.25Å; G73-S77 PolarHBondContact O-OG 3.07Å
74K69.1Low61.7Low115 Ų11559.5 Ų59.550%0.537%0.366SS..Hα-helixtrans-62.9-37.8175.3-82.2172.5-171.11660112.3E70 V71 E76 S77 N78E70-K74 VanDerWaalsContact O-CD 3.27Å; E70-K74 WeakPolarHBondContact O-CD 3.47Å; E70-K74 WeakPolarHBondContact O-CG 3.16Å; V71-K74 PolarHBondContact O-N 3.44Å; K74-E76 VanDerWaalsContact C-N 3.29Å; K74-E76 PolarHBondContact O-N 2.92Å; K74-S77 WeakPolarHBondContact CA-OG 3.2Å; K74-S77 PolarHBondContact O-N 3.14Å; K74-S77 PolarHBondContact O-OG 3.16Å; K74-N78 WeakPolarHBondContact O-CB 3.41Å; K74-N78 PolarHBondContact O-N 3.09Å
75N54.7Low59Low82 Ų8261.7 Ų61.744%0.43938%0.381SS..Hα-helixtrans-72.5-24.2-176.8-69.5-9000112.3V71 L72 G73V71-N75 PolarHBondContact O-N 3.31Å; L72-N75 PolarHBondContact O-N 2.96Å; G73-N75 VanDerWaalsContact C-N 3.3Å; G73-N75 PolarHBondContact O-N 3.38Å
76E52.1Low56.4Low67 Ų6765.4 Ų65.431%0.31341%0.407SS..Hα-helixtrans-76.1-40171-82.1149.3-157.700111.9G73 K74 R110G73-E76 PolarHBondContact O-N 3.01Å; K74-E76 VanDerWaalsContact C-N 3.29Å; K74-E76 PolarHBondContact O-N 2.92Å; E76-R110 IonicContact OE1-CZ 2.73Å; E76-R110 VanDerWaalsContact OE1-CZ 3.24Å; E76-R110 IonicContact OE1-NH1 3.34Å; E76-R110 PolarHBondContact OE1-NH1 3.48Å; E76-R110 IonicContact OE1-NH2 2.65Å; E76-R110 PolarHBondContact OE1-NH2 3.36Å
77S42.2Very low53.8Low76 Ų7671.8 Ų71.853%0.53144%0.44SS..Hα-helixtrans-66.8-37.5173.5500000113.7G73 K74 M79 G80G73-S77 PolarHBondContact O-N 3.25Å; G73-S77 PolarHBondContact O-OG 3.07Å; K74-S77 WeakPolarHBondContact CA-OG 3.2Å; K74-S77 PolarHBondContact O-N 3.14Å; K74-S77 PolarHBondContact O-OG 3.16Å; S77-M79 PolarHBondContact O-N 2.67Å; S77-G80 PolarHBondContact O-N 3.08Å
78N36Very low51.7Low98 Ų9873 Ų7352%0.52445%0.454SS..G310 helixtrans-73.1-10.3-176.4-83.712.1000114.1K74 G80 S81K74-N78 WeakPolarHBondContact O-CB 3.41Å; K74-N78 PolarHBondContact O-N 3.09Å; N78-G80 PolarHBondContact O-N 3.27Å; N78-S81 CarbonylContact O-C 3.51Å; N78-S81 PolarHBondContact O-N 3.29Å; N78-S81 VanDerWaalsContact O-N 3.13Å
79M36.1Very low49.3Very low82 Ų8275.2 Ų75.240%0.40447%0.469SS..G310 helixtrans-66.4-16172.6-159.6163.6-175.200112.6S77S77-M79 PolarHBondContact O-N 2.67Å
80G31.1Very low46.8Very low59 Ų5978 Ų7861%0.60848%0.484SS*.G310 helixtrans-92.5-13.117100000115.7S77 N78S77-G80 PolarHBondContact O-N 3.08Å; N78-G80 PolarHBondContact O-N 3.27Å
81S27.8Very low44.6Very low83 Ų8378.8 Ų78.858%0.5849%0.494SS*.SBendtrans-164.1117.6-17760.70000112.9N78N78-S81 CarbonylContact O-C 3.51Å; N78-S81 PolarHBondContact O-N 3.29Å; N78-S81 VanDerWaalsContact O-N 3.13Å
82G27.5Very low42.3Very low77 Ų7782.2 Ų82.279%0.79451%0.511SS*.SBendtrans146.35.916500000119.2
83I31.5Very low40Very low132 Ų13284 Ų8468%0.67752%0.523SS*.  trans-131.4134.5172.8-49.2-179.9000109.6L85I83-L85 HydrophobicContact CB-CD1 4.36Å; I83-L85 HydrophobicContact CG2-CD1 3.79Å; I83-L85 HydrophobicContact CG2-CG 3.9Å; I83-L85 PolarHBondContact O-N 3.13Å
84G31.4Very low38.2Very low90 Ų9086.9 Ų86.993%0.92854%0.535SS*.  trans-74.464.8175.800000113
85L28.5Very low36.6Very low103 Ų10386.2 Ų86.254%0.53954%0.536SS..  trans-108.5149.2173.9-77.9163.5000110.5I83I83-L85 HydrophobicContact CB-CD1 4.36Å; I83-L85 HydrophobicContact CG2-CD1 3.79Å; I83-L85 HydrophobicContact CG2-CG 3.9Å; I83-L85 PolarHBondContact O-N 3.13Å
86S36.1Very low35.8Very low78 Ų7886.5 Ų86.555%0.54554%0.537SS..  trans-55.8142.1-179.2175.40000112.1V88 S89 L90S86-V88 PolarHBondContact O-N 3.14Å; S86-S89 WeakPolarHBondContact O-CB 3.44Å; S86-S89 PolarHBondContact O-N 3Å; S86-L90 PolarHBondContact O-N 3.48Å
87M32.5Very low35.1Very low156 Ų15687.1 Ų87.177%0.76855%0.548SS*.Hα-helixtrans-41.8-41173.8-87.2-79-73.400113.3S89 L90 T91M87-S89 VanDerWaalsContact C-N 3.32Å; M87-S89 PolarHBondContact O-N 3.41Å; M87-L90 PolarHBondContact O-N 3.24Å; M87-T91 PolarHBondContact O-N 2.98Å; M87-T91 PolarHBondContact O-OG1 2.91Å
88V43.2Very low34.6Very low105 Ų10590.4 Ų90.464%0.63656%0.555SS**Hα-helixtrans-63.4-35.7-179.1-1750000112.2S86 T91 L92S86-V88 PolarHBondContact O-N 3.14Å; V88-T91 PolarHBondContact O-OG1 2.92Å; V88-L92 WeakPolarHBondContact O-CB 3.37Å; V88-L92 PolarHBondContact O-N 3.27Å; V88-L92 VanDerWaalsContact O-N 3.12Å
89S38.7Very low34.5Very low47 Ų4792.5 Ų92.533%0.32956%0.561SS.*Hα-helixtrans-73.1-35.3178.91770000111.8S86 M87 L92 S93S86-S89 WeakPolarHBondContact O-CB 3.44Å; S86-S89 PolarHBondContact O-N 3Å; M87-S89 VanDerWaalsContact C-N 3.32Å; M87-S89 PolarHBondContact O-N 3.41Å; S89-L92 PolarHBondContact O-N 3.32Å; S89-S93 WeakPolarHBondContact O-CB 3.05Å; S89-S93 PolarHBondContact O-N 2.97Å; S89-S93 PolarHBondContact O-OG 3.26Å
90L35.9Very low34.7Very low64 Ų6495.6 Ų95.634%0.33557%0.573SS.*Hα-helixtrans-69.2-44.7178.2-127.7109.9000111.2S86 M87 L92 S93 L94S86-L90 PolarHBondContact O-N 3.48Å; M87-L90 PolarHBondContact O-N 3.24Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L90-L92 PolarHBondContact O-N 2.76Å; L90-S93 PolarHBondContact O-N 3.44Å; L90-L94 HydrophobicContact CD2-CD1 4.35Å; L90-L94 WeakPolarHBondContact O-CB 3.45Å; L90-L94 PolarHBondContact O-N 3.42Å
91T39.6Very low35.8Very low87 Ų8798.4 Ų98.453%0.53458%0.58SS.*Hα-helixtrans-61.9-41.1174.143.70000112.2M87 V88 L95M87-T91 PolarHBondContact O-N 2.98Å; M87-T91 PolarHBondContact O-OG1 2.91Å; V88-T91 PolarHBondContact O-OG1 2.92Å; T91-L95 VanDerWaalsContact O-CB 3.32Å; T91-L95 WeakPolarHBondContact O-CB 3.19Å; T91-L95 PolarHBondContact O-N 3.11Å
92L38.7Very low37.3Very low104 Ų10497.1 Ų97.155%0.54557%0.574SS.*Hα-helixtrans-67.6-40.1178.4-159.774.1000111.6V88 S89 L90 L95 I96V88-L92 WeakPolarHBondContact O-CB 3.37Å; V88-L92 PolarHBondContact O-N 3.27Å; V88-L92 VanDerWaalsContact O-N 3.12Å; S89-L92 PolarHBondContact O-N 3.32Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L90-L92 PolarHBondContact O-N 2.76Å; L92-L95 PolarHBondContact O-N 2.9Å; L92-I96 HydrophobicContact CD2-CD1 4.4Å; L92-I96 HydrophobicContact CG-CD1 3.99Å; L92-I96 WeakPolarHBondContact O-CB 3.43Å; L92-I96 WeakPolarHBondContact O-CD1 3.14Å; L92-I96 WeakPolarHBondContact O-CG1 3.5Å; L92-I96 PolarHBondContact O-N 3.35Å
93S34.3Very low39.6Very low44 Ų4495.7 Ų95.731%0.30855%0.55SS.*Hα-helixtrans-63.7-44.2177-55.60000112.1S89 L90 C97S89-S93 WeakPolarHBondContact O-CB 3.05Å; S89-S93 PolarHBondContact O-N 2.97Å; S89-S93 PolarHBondContact O-OG 3.26Å; L90-S93 PolarHBondContact O-N 3.44Å; S93-C97 WeakPolarHBondContact O-CB 3.3Å; S93-C97 PolarHBondContact O-N 3.31Å; S93-C97 PolarHBondContact O-SG 2.7Å
94L35.2Very low42Very low76 Ų7690.3 Ų90.340%0.39852%0.523SS..Hα-helixtrans-66.3-41176.2-81.2161.7000112.1L90 C97 Q98L90-L94 HydrophobicContact CD2-CD1 4.35Å; L90-L94 WeakPolarHBondContact O-CB 3.45Å; L90-L94 PolarHBondContact O-N 3.42Å; L94-C97 PolarHBondContact O-N 3.22Å; L94-Q98 WeakPolarHBondContact O-CB 3.47Å; L94-Q98 WeakPolarHBondContact O-CG 3.47Å; L94-Q98 PolarHBondContact O-N 3Å
95L34.9Very low44.6Very low100 Ų10090.1 Ų90.152%0.52450%0.498SS..Hα-helixtrans-65.7-41.9177.5-159.180.4000111.7T91 L92 Q98 H99T91-L95 VanDerWaalsContact O-CB 3.32Å; T91-L95 WeakPolarHBondContact O-CB 3.19Å; T91-L95 PolarHBondContact O-N 3.11Å; L92-L95 PolarHBondContact O-N 2.9Å; L95-Q98 PolarHBondContact O-N 3.49Å; L95-H99 PolarHBondContact O-N 3.41Å; L95-H99 VanDerWaalsContact O-N 3.14Å
96I38.8Very low47.3Very low88 Ų8889.8 Ų89.845%0.45150%0.496SS..Hα-helixtrans-61.8-50.8175.3-71.2165.6000110.1L92 Q98 H99 F100L92-I96 HydrophobicContact CD2-CD1 4.4Å; L92-I96 HydrophobicContact CG-CD1 3.99Å; L92-I96 WeakPolarHBondContact O-CB 3.43Å; L92-I96 WeakPolarHBondContact O-CD1 3.14Å; L92-I96 WeakPolarHBondContact O-CG1 3.5Å; L92-I96 PolarHBondContact O-N 3.35Å; I96-Q98 PolarHBondContact O-N 3.16Å; I96-H99 PolarHBondContact O-N 3.31Å; I96-H99 VanDerWaalsContact O-N 3.16Å; I96-F100 PolarHBondContact O-N 3.48Å
97C36.7Very low49.6Very low80 Ų8087.4 Ų87.454%0.54148%0.476SS..Hα-helixtrans-69.3-15.8180-68.90000114.6S93 L94S93-C97 WeakPolarHBondContact O-CB 3.3Å; S93-C97 PolarHBondContact O-N 3.31Å; S93-C97 PolarHBondContact O-SG 2.7Å; L94-C97 PolarHBondContact O-N 3.22Å
98Q32.9Very low52.4Low146 Ų14680.6 Ų80.668%0.68244%0.442SS*.Hα-helixtrans-91.8-11.9172.3-75.8-172.4-15.400114.3L94 L95 I96L94-Q98 WeakPolarHBondContact O-CB 3.47Å; L94-Q98 WeakPolarHBondContact O-CG 3.47Å; L94-Q98 PolarHBondContact O-N 3Å; L95-Q98 PolarHBondContact O-N 3.49Å; I96-Q98 PolarHBondContact O-N 3.16Å
99H33.2Very low54.6Low141 Ų14182 Ų8265%0.65344%0.442SS*.Hα-helixtrans-122.2-19.3-179.2-75.74.7000114.6L95 I96L95-H99 PolarHBondContact O-N 3.41Å; L95-H99 VanDerWaalsContact O-N 3.14Å; I96-H99 PolarHBondContact O-N 3.31Å; I96-H99 VanDerWaalsContact O-N 3.16Å
100F39.8Very low56.9Low148 Ų14883.5 Ų83.565%0.64944%0.44SS*.SBendtrans-118.9117.3170.8-70.8-89.2000109.5I96 A102I96-F100 PolarHBondContact O-N 3.48Å; F100-A102 PolarHBondContact O-N 2.99Å
101P53.6Low59.5Low117 Ų11780.6 Ų80.676%0.7643%0.425SS*.PPolyproline II helixtrans-62.1138.7167.628.4-33.2000108.8T103P101-T103 PolarHBondContact O-N 3.32Å
102A61Low61.9Low56 Ų5677.1 Ų77.146%0.46340%0.403SS..PPolyproline II helixtrans-56.4131.7179.600000110.7F100 I106 M107F100-A102 PolarHBondContact O-N 2.99Å; A102-I106 HydrophobicContact CB-CG2 4.45Å; A102-M107 HydrophobicContact CB-CG 4.09Å
103T75.4Confident64.3Low47 Ų4774.1 Ų74.129%0.28840%0.397SS..PPolyproline II helixtrans-65.6159.3178.857.80000111.1P101 E105 I106 M107 G1149P101-T103 PolarHBondContact O-N 3.32Å; T103-E105 PolarHBondContact O-N 2.9Å; T103-I106 PolarHBondContact O-N 3.31Å; T103-I106 WeakPolarHBondContact OG1-CD1 3.29Å; T103-I106 WeakPolarHBondContact OG1-CG1 3.2Å; T103-M107 PolarHBondContact O-N 3.49Å; T103-G1149 WeakPolarHBondContact CB-O 3.46Å
104D81.3Confident67Low19 Ų1972.2 Ų72.210%0.10238%0.383CS..Hα-helixtrans-62.2-34.3-177.2-65.6-38.6000111.6M107 Y108 R244 F1145 G1149 L1151D104-M107 PolarHBondContact O-N 3.48Å; D104-Y108 VanDerWaalsContact O-CB 3.3Å; D104-Y108 WeakPolarHBondContact O-CB 3.41Å; D104-Y108 PolarHBondContact O-N 3.29Å; D104-R244 VanDerWaalsContact CG-NH1 3.3Å; D104-R244 IonicContact OD1-CZ 2.83Å; D104-R244 IonicContact OD1-NH1 2.61Å; D104-R244 PolarHBondContact OD1-NH1 2.89Å; D104-R244 IonicContact OD1-NH2 2.69Å; D104-R244 PolarHBondContact OD1-NH2 3.28Å; D104-R244 IonicContact OD2-NH1 2.81Å; D104-R244 PolarHBondContact OD2-NH1 3Å; D104-R244 VanDerWaalsContact OD2-NH1 3.09Å; D104-F1145 HydrophobicContact CB-CD1 4.14Å; D104-F1145 HydrophobicContact CB-CE1 3.88Å; D104-G1149 PolarHBondContact N-O 2.87Å; D104-G1149 VanDerWaalsContact N-O 3.09Å; D104-L1151 HydrophobicContact CB-CB 4.11Å; D104-L1151 PolarHBondContact OD2-N 3.17Å
105E86.5Confident69.6Low86 Ų8668.6 Ų68.640%0.40237%0.365SS..Hα-helixtrans-59.6-53.7172.6-172.7168.5-142.300112.2T103 M107 Y108 E109 F1145 G1149T103-E105 PolarHBondContact O-N 2.9Å; E105-M107 VanDerWaalsContact C-N 3.29Å; E105-M107 PolarHBondContact O-N 3.08Å; E105-Y108 PolarHBondContact O-N 3.13Å; E105-Y108 VanDerWaalsContact O-N 3.12Å; E105-E109 PolarHBondContact O-N 3.23Å; E105-F1145 HydrophobicContact CB-CB 4.27Å; E105-F1145 HydrophobicContact CB-CD1 3.82Å; E105-F1145 HydrophobicContact CB-CD2 3.97Å; E105-F1145 HydrophobicContact CB-CE1 4.21Å; E105-F1145 HydrophobicContact CB-CE2 4.35Å; E105-F1145 HydrophobicContact CB-CG 3.71Å; E105-F1145 HydrophobicContact CB-CZ 4.47Å; E105-F1145 HydrophobicContact CG-CD2 3.84Å; E105-F1145 HydrophobicContact CG-CE2 4.29Å; E105-F1145 HydrophobicContact CG-CG 4.03Å; E105-G1149 PolarHBondContact N-O 3.32Å
106I85.7Confident72.2Confident97 Ų9770.8 Ų70.850%0.49737%0.37SS..Hα-helixtrans-62.5-37.8179-65.9171.2000110.9A102 T103 R110A102-I106 HydrophobicContact CB-CG2 4.45Å; T103-I106 PolarHBondContact O-N 3.31Å; T103-I106 WeakPolarHBondContact OG1-CD1 3.29Å; T103-I106 WeakPolarHBondContact OG1-CG1 3.2Å; I106-R110 VanDerWaalsContact O-CB 3.29Å; I106-R110 WeakPolarHBondContact O-CB 3.29Å; I106-R110 PolarHBondContact O-N 3.06Å
107M84.7Confident74.5Confident28 Ų2869.3 Ų69.314%0.13837%0.367CS..Hα-helixtrans-65.3-42174-81.3-83.9-96.400112.2V50 A102 T103 D104 E105 R110 L111 E213V50-M107 HydrophobicContact CG2-CE 3.45Å; V50-M107 VanDerWaalsContact CG2-CE 3.45Å; V50-M107 HydrophobicContact CG2-SD 3.96Å; A102-M107 HydrophobicContact CB-CG 4.09Å; T103-M107 PolarHBondContact O-N 3.49Å; D104-M107 PolarHBondContact O-N 3.48Å; E105-M107 VanDerWaalsContact C-N 3.29Å; E105-M107 PolarHBondContact O-N 3.08Å; M107-R110 PolarHBondContact O-N 2.88Å; M107-L111 WeakPolarHBondContact O-CB 3.37Å; M107-L111 VanDerWaalsContact O-CG 3.24Å; M107-L111 WeakPolarHBondContact O-CG 3.47Å; M107-L111 PolarHBondContact O-N 2.98Å; M107-E213 WeakPolarHBondContact CE-OE1 3.28Å
108Y89.8Confident76.9Confident13 Ų1365.5 Ų65.55%0.05134%0.342CS..Hα-helixtrans-65.8-42.7176.2175.2-116.3000112.1D104 E105 L111 I112 L132 L1143 F1145D104-Y108 VanDerWaalsContact O-CB 3.3Å; D104-Y108 WeakPolarHBondContact O-CB 3.41Å; D104-Y108 PolarHBondContact O-N 3.29Å; E105-Y108 PolarHBondContact O-N 3.13Å; E105-Y108 VanDerWaalsContact O-N 3.12Å; Y108-L111 PolarHBondContact O-N 2.9Å; Y108-I112 HydrophobicContact CD1-CD1 3.83Å; Y108-I112 HydrophobicContact CD2-CD1 4.18Å; Y108-I112 HydrophobicContact CE1-CD1 3.54Å; Y108-I112 HydrophobicContact CE2-CD1 3.9Å; Y108-I112 HydrophobicContact CE2-CG1 4.33Å; Y108-I112 HydrophobicContact CG-CD1 4.16Å; Y108-I112 WeakPolarHBondContact O-CG1 3.41Å; Y108-I112 PolarHBondContact O-N 3.37Å; Y108-L132 HydrophobicContact CD2-CD1 4.14Å; Y108-L132 HydrophobicContact CE2-CD1 4.16Å; Y108-L1143 HydrophobicContact CD2-CD1 3.81Å; Y108-L1143 HydrophobicContact CE2-CB 4.45Å; Y108-L1143 HydrophobicContact CE2-CD1 3.9Å; Y108-L1143 HydrophobicContact CE2-CG 4.34Å; Y108-L1143 HydrophobicContact CG-CD1 4.41Å; Y108-F1145 AromaticContact CD1-CE2 3.56Å; Y108-F1145 HydrophobicContact CD1-CE2 3.56Å; Y108-F1145 AromaticContact CD1-CZ 3.56Å; Y108-F1145 HydrophobicContact CD1-CZ 3.56Å; Y108-F1145 HydrophobicContact CE1-CE2 4.06Å; Y108-F1145 HydrophobicContact CE1-CZ 4.3Å; Y108-F1145 HydrophobicContact CG-CE2 4.27Å; Y108-F1145 AromaticContact CG-CZ 3.78Å; Y108-F1145 HydrophobicContact CG-CZ 3.78Å
109E89.9Confident79.4Confident134 Ų13459.1 Ų59.163%0.62631%0.312SS*.Hα-helixtrans-62.3-45.1173.1-69.9-153.6128.700112.2E105 L111 I112 G113E105-E109 PolarHBondContact O-N 3.23Å; E109-L111 VanDerWaalsContact C-N 3.29Å; E109-L111 PolarHBondContact O-N 3.1Å; E109-I112 PolarHBondContact O-N 3.07Å; E109-G113 PolarHBondContact O-N 3.42Å
110R86.7Confident81.4Confident79 Ų7956.4 Ų56.430%0.29830%0.302SS..Hα-helixtrans-56.7-43.6173.9-177.2-179.9177.4-160.1-5110.9L72 E76 I106 M107 G113 I114L72-R110 PolarHBondContact O-NH2 2.91Å; L72-R110 VanDerWaalsContact O-NH2 3.16Å; E76-R110 IonicContact OE1-CZ 2.73Å; E76-R110 VanDerWaalsContact OE1-CZ 3.24Å; E76-R110 IonicContact OE1-NH1 3.34Å; E76-R110 PolarHBondContact OE1-NH1 3.48Å; E76-R110 IonicContact OE1-NH2 2.65Å; E76-R110 PolarHBondContact OE1-NH2 3.36Å; I106-R110 VanDerWaalsContact O-CB 3.29Å; I106-R110 WeakPolarHBondContact O-CB 3.29Å; I106-R110 PolarHBondContact O-N 3.06Å; M107-R110 PolarHBondContact O-N 2.88Å; R110-G113 PolarHBondContact O-N 3.21Å; R110-I114 HydrophobicContact CG-CD1 4.23Å; R110-I114 WeakPolarHBondContact O-CG1 3.37Å; R110-I114 PolarHBondContact O-N 3.01Å
111L90.5Very high83.2Confident2 Ų250.7 Ų50.71%0.0128%0.281CS..Hα-helixtrans-65.7-41.2177.4-76.5171.9000113L49 V50 A53 F68 M107 Y108 E109 G113 I114 A115 F128L49-L111 HydrophobicContact CB-CD1 3.88Å; V50-L111 HydrophobicContact CG2-CD1 4.02Å; V50-L111 HydrophobicContact CG2-CD2 4.09Å; V50-L111 HydrophobicContact CG2-CG 4.25Å; A53-L111 HydrophobicContact CB-CD1 4.07Å; A53-L111 HydrophobicContact CB-CD2 3.64Å; A53-L111 HydrophobicContact CB-CG 4.38Å; F68-L111 HydrophobicContact CE2-CD2 3.82Å; F68-L111 HydrophobicContact CZ-CD2 3.6Å; M107-L111 WeakPolarHBondContact O-CB 3.37Å; M107-L111 VanDerWaalsContact O-CG 3.24Å; M107-L111 WeakPolarHBondContact O-CG 3.47Å; M107-L111 PolarHBondContact O-N 2.98Å; Y108-L111 PolarHBondContact O-N 2.9Å; E109-L111 VanDerWaalsContact C-N 3.29Å; E109-L111 PolarHBondContact O-N 3.1Å; L111-G113 VanDerWaalsContact C-N 3.33Å; L111-I114 PolarHBondContact O-N 3.29Å; L111-A115 VanDerWaalsContact O-CB 3.31Å; L111-A115 WeakPolarHBondContact O-CB 3.35Å; L111-A115 PolarHBondContact O-N 2.63Å; L111-F128 HydrophobicContact CB-CZ 4.34Å
112I91Very high84.6Confident15 Ų1551.9 Ų51.98%0.07727%0.274CS..Hα-helixtrans-63.2-40.8173-68.9160.7000110.7Y108 E109 A115 K116 V125 Q129Y108-I112 HydrophobicContact CD1-CD1 3.83Å; Y108-I112 HydrophobicContact CD2-CD1 4.18Å; Y108-I112 HydrophobicContact CE1-CD1 3.54Å; Y108-I112 HydrophobicContact CE2-CD1 3.9Å; Y108-I112 HydrophobicContact CE2-CG1 4.33Å; Y108-I112 HydrophobicContact CG-CD1 4.16Å; Y108-I112 WeakPolarHBondContact O-CG1 3.41Å; Y108-I112 PolarHBondContact O-N 3.37Å; E109-I112 PolarHBondContact O-N 3.07Å; I112-A115 PolarHBondContact O-N 3.41Å; I112-K116 HydrophobicContact CG2-CD 4.07Å; I112-K116 VanDerWaalsContact CG2-CE 3.48Å; I112-K116 HydrophobicContact CG2-CG 4.49Å; I112-K116 VanDerWaalsContact O-CG 3.29Å; I112-K116 WeakPolarHBondContact O-CG 3.43Å; I112-K116 PolarHBondContact O-N 3.37Å; I112-V125 HydrophobicContact CG2-CG1 4.39Å; I112-Q129 HydrophobicContact CD1-CG 4.17Å; I112-Q129 HydrophobicContact CG1-CG 4.02Å
113G89.4Confident85.6Confident41 Ų4149.9 Ų49.942%0.42326%0.257SS..Hα-helixtrans-59.4-46.7174.800000112.3E109 R110 L111E109-G113 PolarHBondContact O-N 3.42Å; R110-G113 PolarHBondContact O-N 3.21Å; L111-G113 VanDerWaalsContact C-N 3.33Å
114I89.5Confident86.2Confident4 Ų448.2 Ų48.22%0.02125%0.245CC..Hα-helixtrans-62.9-48.1174.4-64.9168.7000110.3F68 V71 L72 R110 L111 K116 S117 V118F68-I114 HydrophobicContact CD2-CG2 3.5Å; F68-I114 HydrophobicContact CE2-CB 4.44Å; F68-I114 HydrophobicContact CE2-CG2 3.74Å; F68-I114 HydrophobicContact CG-CG2 4.42Å; V71-I114 HydrophobicContact CB-CG2 4.25Å; V71-I114 HydrophobicContact CG1-CB 4.47Å; V71-I114 HydrophobicContact CG1-CG1 4.07Å; V71-I114 HydrophobicContact CG1-CG2 3.98Å; L72-I114 HydrophobicContact CD1-CD1 3.75Å; R110-I114 HydrophobicContact CG-CD1 4.23Å; R110-I114 WeakPolarHBondContact O-CG1 3.37Å; R110-I114 PolarHBondContact O-N 3.01Å; L111-I114 PolarHBondContact O-N 3.29Å; I114-K116 VanDerWaalsContact C-N 3.31Å; I114-K116 PolarHBondContact O-N 3.18Å; I114-S117 WeakPolarHBondContact O-CA 3.48Å; I114-S117 WeakPolarHBondContact O-CB 3.46Å; I114-S117 PolarHBondContact O-N 2.87Å; I114-S117 PolarHBondContact O-OG 3.5Å; I114-V118 HydrophobicContact CG2-CG2 3.88Å; I114-V118 WeakPolarHBondContact O-CG2 3.31Å; I114-V118 PolarHBondContact O-N 2.92Å
115A90.5Very high86.7Confident0 Ų047.9 Ų47.90%024%0.244CC..Hα-helixtrans-57.8-40.1-179.300000112.8M57 L111 I112 S117 V118 L119 F128M57-A115 HydrophobicContact CE-CB 3.89Å; L111-A115 VanDerWaalsContact O-CB 3.31Å; L111-A115 WeakPolarHBondContact O-CB 3.35Å; L111-A115 PolarHBondContact O-N 2.63Å; I112-A115 PolarHBondContact O-N 3.41Å; A115-S117 PolarHBondContact O-N 3.49Å; A115-V118 PolarHBondContact O-N 3.26Å; A115-V118 VanDerWaalsContact O-N 3.14Å; A115-L119 HydrophobicContact CB-CD1 4.21Å; A115-L119 WeakPolarHBondContact O-CB 3.45Å; A115-L119 PolarHBondContact O-N 3.23Å; A115-F128 HydrophobicContact CB-CD1 3.63Å; A115-F128 HydrophobicContact CB-CE1 3.53Å; A115-F128 HydrophobicContact CB-CG 4.19Å; A115-F128 HydrophobicContact CB-CZ 4Å
116K89.7Confident86.9Confident145 Ų14547.6 Ų47.663%0.6324%0.241SC*.Hα-helixtrans-62.1-20.8173.2-73.1166.5179169.40114.3I112 I114 V125I112-K116 HydrophobicContact CG2-CD 4.07Å; I112-K116 VanDerWaalsContact CG2-CE 3.48Å; I112-K116 HydrophobicContact CG2-CG 4.49Å; I112-K116 VanDerWaalsContact O-CG 3.29Å; I112-K116 WeakPolarHBondContact O-CG 3.43Å; I112-K116 PolarHBondContact O-N 3.37Å; I114-K116 VanDerWaalsContact C-N 3.31Å; I114-K116 PolarHBondContact O-N 3.18Å; K116-V125 HydrophobicContact CG-CG1 4.06Å; K116-V125 HydrophobicContact CG-CG2 4.1Å
117S87.2Confident87.2Confident58 Ų5843 Ų4341%0.40622%0.218SC..Hα-helixtrans-96.7-19.3174.575.70000113.6K67 I114 A115K67-S117 VanDerWaalsContact CE-O 3.32Å; K67-S117 WeakPolarHBondContact CE-O 3.11Å; K67-S117 PolarHBondContact NZ-O 2.98Å; I114-S117 WeakPolarHBondContact O-CA 3.48Å; I114-S117 WeakPolarHBondContact O-CB 3.46Å; I114-S117 PolarHBondContact O-N 2.87Å; I114-S117 PolarHBondContact O-OG 3.5Å; A115-S117 PolarHBondContact O-N 3.49Å
118V86.2Confident87.7Confident0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-94.8-42.6-176.1174.70000111.9M57 Y64 K67 F68 V71 I114 A115M57-V118 HydrophobicContact CE-CB 4.43Å; M57-V118 HydrophobicContact CE-CG1 4.29Å; M57-V118 HydrophobicContact SD-CB 4.3Å; M57-V118 HydrophobicContact SD-CG1 3.53Å; M57-V118 VanDerWaalsContact SD-CG1 3.53Å; Y64-V118 HydrophobicContact CD1-CG1 4.09Å; K67-V118 HydrophobicContact CD-CG1 4.23Å; K67-V118 HydrophobicContact CG-CG1 4.48Å; K67-V118 HydrophobicContact CG-CG2 4.35Å; K67-V118 PolarHBondContact NZ-O 3.03Å; F68-V118 HydrophobicContact CB-CG2 4.41Å; V71-V118 HydrophobicContact CG2-CG2 4.44Å; I114-V118 HydrophobicContact CG2-CG2 3.88Å; I114-V118 WeakPolarHBondContact O-CG2 3.31Å; I114-V118 PolarHBondContact O-N 2.92Å; A115-V118 PolarHBondContact O-N 3.26Å; A115-V118 VanDerWaalsContact O-N 3.14Å
119L85.7Confident87.8Confident11 Ų1142.6 Ų42.66%0.05822%0.216CC..  trans-96.2140.1-173-60.7172.5000113.1F56 M57 E60 A115 S121 R124 V125 F128F56-L119 HydrophobicContact CE1-CD1 4.1Å; F56-L119 HydrophobicContact CE1-CD2 4.26Å; M57-L119 HydrophobicContact CE-CD1 3.97Å; M57-L119 HydrophobicContact CE-CD2 4.28Å; M57-L119 HydrophobicContact CE-CG 3.97Å; M57-L119 HydrophobicContact SD-CD2 3.76Å; M57-L119 HydrophobicContact SD-CG 4.08Å; E60-L119 HydrophobicContact CG-CD2 4.43Å; A115-L119 HydrophobicContact CB-CD1 4.21Å; A115-L119 WeakPolarHBondContact O-CB 3.45Å; A115-L119 PolarHBondContact O-N 3.23Å; L119-S121 PolarHBondContact O-N 2.97Å; L119-R124 HydrophobicContact CB-CB 4.36Å; L119-R124 HydrophobicContact CD1-CB 4.32Å; L119-V125 HydrophobicContact CD1-CG2 4.45Å; L119-F128 HydrophobicContact CD1-CB 4.08Å; L119-F128 HydrophobicContact CD1-CG 4.45Å
120D75.7Confident88Confident84 Ų8436.5 Ų36.545%0.44919%0.187SC..SBendtrans-75.4-15.1-171.6-48.8-8.8000115.4Y64Y64-D120 PolarHBondContact OH-OD2 3.49Å
121S77.7Confident88.4Confident28 Ų2832.8 Ų32.820%0.19617%0.174CC..  trans-135.5144.9-172.5101.10000113.9L119 S123 R124 V125 E447L119-S121 PolarHBondContact O-N 2.97Å; S121-S123 VanDerWaalsContact C-N 3.29Å; S121-S123 PolarHBondContact O-N 3.46Å; S121-S123 PolarHBondContact OG-N 2.76Å; S121-R124 WeakPolarHBondContact O-CB 3.33Å; S121-R124 PolarHBondContact O-N 3.49Å; S121-R124 WeakPolarHBondContact OG-CB 3.44Å; S121-R124 WeakPolarHBondContact OG-CD 3.5Å; S121-R124 WeakPolarHBondContact OG-CG 3.46Å; S121-R124 PolarHBondContact OG-N 2.87Å; S121-V125 PolarHBondContact O-N 3.35Å; S121-V125 VanDerWaalsContact O-N 3.13Å; S121-E447 WeakPolarHBondContact CB-OE1 3.49Å; S121-E447 PolarHBondContact OG-OE1 3.38Å
122K82.3Confident88.5Confident142 Ų14232.9 Ų32.962%0.61717%0.174SC*.Hα-helixtrans-61.3-36.7174-177.4-177.6174.1-170.30111.9R124 V125 K126 D1079K122-R124 VanDerWaalsContact C-N 3.34Å; K122-V125 PolarHBondContact O-N 2.89Å; K122-K126 PolarHBondContact O-N 3.26Å; K122-D1079 IonicContact NZ-OD2 3.12Å; K122-D1079 PolarHBondContact NZ-OD2 3.32Å
123S83.1Confident88.6Confident14 Ų1432.3 Ų32.310%0.09817%0.171CC..Hα-helixtrans-65-37175.1-54.50000111.7S121 K126 L127S121-S123 VanDerWaalsContact C-N 3.29Å; S121-S123 PolarHBondContact O-N 3.46Å; S121-S123 PolarHBondContact OG-N 2.76Å; S123-K126 WeakPolarHBondContact O-CB 3.42Å; S123-K126 PolarHBondContact O-N 2.85Å; S123-L127 WeakPolarHBondContact O-CG 3.48Å; S123-L127 PolarHBondContact O-N 3.21Å
124R88.1Confident88.7Confident12 Ų1230.3 Ų30.35%0.04515%0.151CC..Hα-helixtrans-67.6-35.7173.6-79.5163155.6-83.2-50.9113.2E60 L119 S121 K122 K126 L127 F128 E447 R448E60-R124 VanDerWaalsContact CD-NH2 3.33Å; E60-R124 IonicContact OE1-CZ 3.45Å; E60-R124 IonicContact OE1-NH1 3.33Å; E60-R124 IonicContact OE1-NH2 2.63Å; E60-R124 PolarHBondContact OE1-NH2 3.47Å; E60-R124 VanDerWaalsContact OE1-NH2 3.15Å; E60-R124 IonicContact OE2-CZ 2.71Å; E60-R124 IonicContact OE2-NH1 2.62Å; E60-R124 PolarHBondContact OE2-NH1 2.79Å; E60-R124 IonicContact OE2-NH2 2.72Å; E60-R124 PolarHBondContact OE2-NH2 3.39Å; L119-R124 HydrophobicContact CB-CB 4.36Å; L119-R124 HydrophobicContact CD1-CB 4.32Å; S121-R124 WeakPolarHBondContact O-CB 3.33Å; S121-R124 PolarHBondContact O-N 3.49Å; S121-R124 WeakPolarHBondContact OG-CB 3.44Å; S121-R124 WeakPolarHBondContact OG-CD 3.5Å; S121-R124 WeakPolarHBondContact OG-CG 3.46Å; S121-R124 PolarHBondContact OG-N 2.87Å; K122-R124 VanDerWaalsContact C-N 3.34Å; R124-K126 VanDerWaalsContact C-N 3.33Å; R124-L127 PolarHBondContact O-N 2.75Å; R124-F128 WeakPolarHBondContact O-CB 3.3Å; R124-F128 PolarHBondContact O-N 3.13Å; R124-E447 VanDerWaalsContact CD-OE2 3.26Å; R124-E447 WeakPolarHBondContact CD-OE2 3.29Å; R124-E447 WeakPolarHBondContact CG-OE1 3.23Å; R124-E447 VanDerWaalsContact CG-OE2 3.32Å; R124-E447 WeakPolarHBondContact CG-OE2 3.41Å; R124-E447 IonicContact CZ-OE2 2.66Å; R124-E447 IonicContact NE-OE1 3.24Å; R124-E447 IonicContact NE-OE2 3.26Å; R124-E447 PolarHBondContact NE-OE2 3.16Å; R124-E447 IonicContact NH2-OE2 3.33Å; R124-R448 VanDerWaalsContact NH2-NE 3.1Å
125V91.1Very high88.9Confident13 Ų1330.4 Ų30.48%0.07915%0.151CC..Hα-helixtrans-63.7-38.6171.6178.60000111I112 K116 L119 S121 K122 F128 Q129I112-V125 HydrophobicContact CG2-CG1 4.39Å; K116-V125 HydrophobicContact CG-CG1 4.06Å; K116-V125 HydrophobicContact CG-CG2 4.1Å; L119-V125 HydrophobicContact CD1-CG2 4.45Å; S121-V125 PolarHBondContact O-N 3.35Å; S121-V125 VanDerWaalsContact O-N 3.13Å; K122-V125 PolarHBondContact O-N 2.89Å; V125-F128 WeakPolarHBondContact O-CB 3.38Å; V125-F128 PolarHBondContact O-N 3.18Å; V125-Q129 WeakPolarHBondContact O-CG 3.06Å; V125-Q129 PolarHBondContact O-N 2.82Å
126K90.4Very high88.9Confident80 Ų8031.1 Ų31.135%0.34816%0.156SC..Hα-helixtrans-65.9-43.7171.4-75.1-166.3173.9-170.10113K122 S123 R124 F128 Q129 F130 H1110 V1111K122-K126 PolarHBondContact O-N 3.26Å; S123-K126 WeakPolarHBondContact O-CB 3.42Å; S123-K126 PolarHBondContact O-N 2.85Å; R124-K126 VanDerWaalsContact C-N 3.33Å; K126-F128 PolarHBondContact O-N 2.94Å; K126-Q129 PolarHBondContact O-N 3.31Å; K126-F130 WeakPolarHBondContact O-CB 3.34Å; K126-F130 PolarHBondContact O-N 2.87Å; K126-H1110 PolarHBondContact NZ-O 2.9Å; K126-V1111 WeakPolarHBondContact CB-O 3.47Å; K126-V1111 WeakPolarHBondContact CD-O 3.45Å
127L92.2Very high89Confident1 Ų125 Ų251%0.00513%0.129CC..Hα-helixtrans-62.2-32.3175.8-71.9166.5000112S123 R124 A131 L440 K444 E447 V1111 I1112S123-L127 WeakPolarHBondContact O-CG 3.48Å; S123-L127 PolarHBondContact O-N 3.21Å; R124-L127 PolarHBondContact O-N 2.75Å; L127-A131 VanDerWaalsContact O-CB 3.25Å; L127-A131 WeakPolarHBondContact O-CB 3.36Å; L127-A131 PolarHBondContact O-N 2.79Å; L127-L440 HydrophobicContact CD2-CD1 3.76Å; L127-K444 HydrophobicContact CD1-CG 4.38Å; L127-E447 HydrophobicContact CD1-CB 4.1Å; L127-E447 HydrophobicContact CD1-CG 4.13Å; L127-V1111 HydrophobicContact CD2-CG1 3.92Å; L127-I1112 HydrophobicContact CD2-CG2 3.86Å; L127-I1112 HydrophobicContact CG-CG2 4.36Å
128F94.2Very high89.3Confident0 Ų022.2 Ų22.20%011%0.11CC..Hα-helixtrans-68.5-46.9171.2169.6-98.2000112.4A53 F56 M57 L111 A115 L119 R124 V125 K126 F130 A131 L132A53-F128 HydrophobicContact CB-CE2 3.73Å; A53-F128 HydrophobicContact CB-CZ 3.74Å; F56-F128 HydrophobicContact CB-CD2 4.14Å; F56-F128 HydrophobicContact CB-CE2 4.41Å; F56-F128 HydrophobicContact CD1-CB 4.45Å; F56-F128 AromaticContact CD1-CD2 3.68Å; F56-F128 HydrophobicContact CD1-CD2 3.68Å; F56-F128 HydrophobicContact CD1-CE2 4.5Å; F56-F128 HydrophobicContact CD2-CD2 4.15Å; F56-F128 HydrophobicContact CE1-CB 4.03Å; F56-F128 HydrophobicContact CE1-CD2 4.09Å; F56-F128 HydrophobicContact CE2-CB 4.1Å; F56-F128 AromaticContact CG-CD2 3.73Å; F56-F128 HydrophobicContact CG-CD2 3.73Å; F56-F128 HydrophobicContact CG-CE2 4.47Å; F56-F128 HydrophobicContact CZ-CB 3.85Å; M57-F128 HydrophobicContact CE-CD2 3.98Å; M57-F128 HydrophobicContact CE-CE2 3.78Å; M57-F128 HydrophobicContact CE-CZ 4.35Å; L111-F128 HydrophobicContact CB-CZ 4.34Å; A115-F128 HydrophobicContact CB-CD1 3.63Å; A115-F128 HydrophobicContact CB-CE1 3.53Å; A115-F128 HydrophobicContact CB-CG 4.19Å; A115-F128 HydrophobicContact CB-CZ 4Å; L119-F128 HydrophobicContact CD1-CB 4.08Å; L119-F128 HydrophobicContact CD1-CG 4.45Å; R124-F128 WeakPolarHBondContact O-CB 3.3Å; R124-F128 PolarHBondContact O-N 3.13Å; V125-F128 WeakPolarHBondContact O-CB 3.38Å; V125-F128 PolarHBondContact O-N 3.18Å; K126-F128 PolarHBondContact O-N 2.94Å; F128-F130 VanDerWaalsContact C-N 3.31Å; F128-F130 PolarHBondContact O-N 3.23Å; F128-A131 PolarHBondContact O-N 3.27Å; F128-L132 HydrophobicContact CD1-CD1 4.31Å; F128-L132 HydrophobicContact CE1-CD1 3.7Å; F128-L132 HydrophobicContact CE2-CD1 4.22Å; F128-L132 HydrophobicContact CZ-CD1 3.66Å; F128-L132 HydrophobicContact CZ-CG 4.42Å; F128-L132 PolarHBondContact O-N 2.79Å
129Q93.7Very high89.6Confident31 Ų3122.2 Ų22.215%0.14511%0.11CC..Hα-helixtrans-58.2-43.9173.8-72.5175-6000111.5I112 V125 K126 L132 A133I112-Q129 HydrophobicContact CD1-CG 4.17Å; I112-Q129 HydrophobicContact CG1-CG 4.02Å; V125-Q129 WeakPolarHBondContact O-CG 3.06Å; V125-Q129 PolarHBondContact O-N 2.82Å; K126-Q129 PolarHBondContact O-N 3.31Å; Q129-L132 PolarHBondContact O-N 2.91Å; Q129-A133 WeakPolarHBondContact O-CB 3.31Å; Q129-A133 PolarHBondContact O-N 2.89Å
130F93.7Very high89.9Confident7 Ų722.2 Ų22.23%0.03111%0.111CC..Hα-helixtrans-65.3-42.1176.1-178.1-116.9000112.3K126 F128 L132 A133 I134 I436 L440 T1107 V1111 I1139 P1140K126-F130 WeakPolarHBondContact O-CB 3.34Å; K126-F130 PolarHBondContact O-N 2.87Å; F128-F130 VanDerWaalsContact C-N 3.31Å; F128-F130 PolarHBondContact O-N 3.23Å; F130-L132 VanDerWaalsContact C-N 3.32Å; F130-L132 PolarHBondContact O-N 3.21Å; F130-A133 WeakPolarHBondContact O-CB 3.31Å; F130-A133 PolarHBondContact O-N 3.45Å; F130-A133 VanDerWaalsContact O-N 3.09Å; F130-I134 HydrophobicContact CD2-CG2 4.07Å; F130-I134 HydrophobicContact CE1-CD1 4.14Å; F130-I134 HydrophobicContact CE1-CG2 4.22Å; F130-I134 HydrophobicContact CE2-CG2 3.58Å; F130-I134 HydrophobicContact CZ-CG2 3.67Å; F130-I134 WeakPolarHBondContact O-CG1 3.38Å; F130-I134 PolarHBondContact O-N 2.54Å; F130-I436 HydrophobicContact CE1-CD1 4.42Å; F130-I436 HydrophobicContact CE1-CG1 4.44Å; F130-I436 HydrophobicContact CZ-CD1 4.09Å; F130-I436 HydrophobicContact CZ-CG1 4.08Å; F130-L440 HydrophobicContact CD1-CD1 4.08Å; F130-L440 HydrophobicContact CD1-CD2 4.47Å; F130-T1107 HydrophobicContact CE2-CG2 3.61Å; F130-T1107 HydrophobicContact CZ-CG2 4Å; F130-V1111 HydrophobicContact CB-CB 4.49Å; F130-V1111 HydrophobicContact CB-CG1 3.67Å; F130-V1111 HydrophobicContact CB-CG2 3.89Å; F130-V1111 HydrophobicContact CD1-CG1 4.1Å; F130-V1111 HydrophobicContact CD1-CG2 4.42Å; F130-V1111 HydrophobicContact CD2-CG2 3.59Å; F130-V1111 HydrophobicContact CE2-CG2 4.2Å; F130-V1111 HydrophobicContact CG-CB 4.45Å; F130-V1111 HydrophobicContact CG-CG1 3.89Å; F130-V1111 HydrophobicContact CG-CG2 3.71Å; F130-I1139 HydrophobicContact CE2-CG2 3.71Å; F130-I1139 HydrophobicContact CZ-CG2 3.85Å; F130-P1140 WeakPolarHBondContact CD2-O 3.29Å; F130-P1140 VanDerWaalsContact CE2-O 3.32Å; F130-P1140 WeakPolarHBondContact CE2-O 3.36Å
131A94.2Very high90.6Very high1 Ų118.3 Ų18.31%0.0089%0.09CC..Hα-helixtrans-58.9-40.817600000113F56 L127 F128 R135 C136 Y137 L440F56-A131 HydrophobicContact CD2-CB 3.55Å; F56-A131 HydrophobicContact CE2-CB 3.77Å; L127-A131 VanDerWaalsContact O-CB 3.25Å; L127-A131 WeakPolarHBondContact O-CB 3.36Å; L127-A131 PolarHBondContact O-N 2.79Å; F128-A131 PolarHBondContact O-N 3.27Å; A131-R135 PolarHBondContact O-N 2.92Å; A131-R135 VanDerWaalsContact O-N 3.17Å; A131-C136 PolarHBondContact O-N 3.05Å; A131-C136 PolarHBondContact O-SG 3.03Å; A131-C136 VanDerWaalsContact O-SG 3.41Å; A131-Y137 HydrophobicContact CB-CE2 4.29Å; A131-L440 HydrophobicContact CB-CD2 4Å
132L93.1Very high91.3Very high3 Ų317.4 Ų17.42%0.0168%0.083CC..Hα-helixtrans-67.6-41.4171.9-68.1177.3000111.7L49 E52 A53 Y108 F128 Q129 F130 I134 R135 L1143L49-L132 HydrophobicContact CD2-CD2 4.37Å; E52-L132 HydrophobicContact CB-CD2 4.01Å; A53-L132 HydrophobicContact CB-CD2 4.32Å; Y108-L132 HydrophobicContact CD2-CD1 4.14Å; Y108-L132 HydrophobicContact CE2-CD1 4.16Å; F128-L132 HydrophobicContact CD1-CD1 4.31Å; F128-L132 HydrophobicContact CE1-CD1 3.7Å; F128-L132 HydrophobicContact CE2-CD1 4.22Å; F128-L132 HydrophobicContact CZ-CD1 3.66Å; F128-L132 HydrophobicContact CZ-CG 4.42Å; F128-L132 PolarHBondContact O-N 2.79Å; Q129-L132 PolarHBondContact O-N 2.91Å; F130-L132 VanDerWaalsContact C-N 3.32Å; F130-L132 PolarHBondContact O-N 3.21Å; L132-I134 VanDerWaalsContact C-N 3.33Å; L132-I134 PolarHBondContact O-N 3.41Å; L132-R135 WeakPolarHBondContact O-CD 3.36Å; L132-R135 PolarHBondContact O-N 3.15Å; L132-R135 VanDerWaalsContact O-N 3.08Å; L132-L1143 HydrophobicContact CB-CD1 4.33Å
133A92.6Very high91.7Very high3 Ų310.7 Ų10.73%0.0255%0.053CC..Hα-helixtrans-59.9-40.9177.100000112.7Q129 F130 R135 P1140 L1143Q129-A133 WeakPolarHBondContact O-CB 3.31Å; Q129-A133 PolarHBondContact O-N 2.89Å; F130-A133 WeakPolarHBondContact O-CB 3.31Å; F130-A133 PolarHBondContact O-N 3.45Å; F130-A133 VanDerWaalsContact O-N 3.09Å; A133-R135 VanDerWaalsContact C-N 3.32Å; A133-P1140 HydrophobicContact CB-CB 4.4Å; A133-P1140 HydrophobicContact CB-CG 4.05Å; A133-P1140 WeakPolarHBondContact O-CG 3.45Å; A133-L1143 HydrophobicContact CB-CD2 4.48Å; A133-L1143 HydrophobicContact CB-CG 4.5Å
134I92.7Very high92.1Very high0 Ų010 Ų100%05%0.049CC..THydrogen-bonded Turntrans-85.1-0.2176.671.3170.2000113.9F130 L132 C136 S257 F437 L440 I1139F130-I134 HydrophobicContact CD2-CG2 4.07Å; F130-I134 HydrophobicContact CE1-CD1 4.14Å; F130-I134 HydrophobicContact CE1-CG2 4.22Å; F130-I134 HydrophobicContact CE2-CG2 3.58Å; F130-I134 HydrophobicContact CZ-CG2 3.67Å; F130-I134 WeakPolarHBondContact O-CG1 3.38Å; F130-I134 PolarHBondContact O-N 2.54Å; L132-I134 VanDerWaalsContact C-N 3.33Å; L132-I134 PolarHBondContact O-N 3.41Å; I134-C136 HydrophobicContact CD1-CB 3.93Å; I134-C136 HydrophobicContact CG1-CB 3.85Å; I134-C136 PolarHBondContact O-N 3.45Å; I134-S257 VanDerWaalsContact CA-OG 3.23Å; I134-S257 WeakPolarHBondContact CA-OG 3.26Å; I134-S257 VanDerWaalsContact CB-OG 3.25Å; I134-S257 WeakPolarHBondContact CB-OG 2.97Å; I134-S257 PolarHBondContact O-OG 2.7Å; I134-F437 HydrophobicContact CB-CE1 4.46Å; I134-F437 HydrophobicContact CD1-CD1 3.78Å; I134-F437 HydrophobicContact CD1-CE1 4.02Å; I134-F437 HydrophobicContact CG1-CE1 4.38Å; I134-L440 HydrophobicContact CD1-CD2 3.73Å; I134-I1139 HydrophobicContact CG2-CG2 4.22Å
135R92.3Very high92.1Very high5 Ų511.9 Ų11.92%0.0196%0.056CC..THydrogen-bonded Turntrans5530.6178.8-55.3-75.2-92.6147.9-8.3114.1D46 T47 E52 A131 L132 A133 Y137 S138 V254D46-R135 IonicContact OD1-CZ 2.64Å; D46-R135 IonicContact OD1-NH2 3.9Å; D46-R135 PolarHBondContact OD1-NH2 2.87Å; D46-R135 IonicContact OD2-NH2 2.85Å; T47-R135 PolarHBondContact O-NH1 3.39Å; T47-R135 PolarHBondContact O-NH2 3.14Å; E52-R135 IonicContact OE1-CZ 3.82Å; E52-R135 IonicContact OE1-NH1 2.73Å; E52-R135 PolarHBondContact OE1-NH1 2.86Å; E52-R135 IonicContact OE2-CZ 2.71Å; E52-R135 IonicContact OE2-NE 2.77Å; E52-R135 IonicContact OE2-NH1 3.75Å; E52-R135 PolarHBondContact OE2-NH1 3.09Å; A131-R135 PolarHBondContact O-N 2.92Å; A131-R135 VanDerWaalsContact O-N 3.17Å; L132-R135 WeakPolarHBondContact O-CD 3.36Å; L132-R135 PolarHBondContact O-N 3.15Å; L132-R135 VanDerWaalsContact O-N 3.08Å; A133-R135 VanDerWaalsContact C-N 3.32Å; R135-Y137 VanDerWaalsContact C-N 3.3Å; R135-Y137 PolarHBondContact O-N 2.9Å; R135-Y137 VanDerWaalsContact O-N 3.12Å; R135-S138 WeakPolarHBondContact O-CB 3.15Å; R135-S138 PolarHBondContact O-N 3.03Å; R135-V254 HydrophobicContact CB-CG1 4.17Å; R135-V254 HydrophobicContact CG-CG1 4.12Å
136C91.1Very high92Very high15 Ų1514.8 Ų14.810%0.1017%0.068CC..THydrogen-bonded Turntrans-66.1-21.8-161.557.30000116.4A131 I134 P139 F437A131-C136 PolarHBondContact O-N 3.05Å; A131-C136 PolarHBondContact O-SG 3.03Å; A131-C136 VanDerWaalsContact O-SG 3.41Å; I134-C136 HydrophobicContact CD1-CB 3.93Å; I134-C136 HydrophobicContact CG1-CB 3.85Å; I134-C136 PolarHBondContact O-N 3.45Å; C136-P139 WeakPolarHBondContact O-CD 3.14Å; C136-F437 HydrophobicContact CB-CD1 3.71Å; C136-F437 HydrophobicContact CB-CE1 4.15Å
137Y92.3Very high91.7Very high17 Ų1711.4 Ų11.47%0.0675%0.054CC..THydrogen-bonded Turntrans-930.3175.6-58.3-84.5000113.6E55 F56 H59 A131 R135 P139 S140 V141 K444E55-Y137 HydrophobicContact CB-CD1 3.71Å; E55-Y137 HydrophobicContact CB-CG 3.83Å; F56-Y137 HydrophobicContact CB-CD2 4.24Å; F56-Y137 HydrophobicContact CB-CE2 3.66Å; F56-Y137 AromaticContact CD2-CE2 3.81Å; F56-Y137 HydrophobicContact CD2-CE2 3.81Å; F56-Y137 HydrophobicContact CG-CE2 4.19Å; H59-Y137 HydrophobicContact CB-CE1 3.99Å; H59-Y137 AromaticContact CD2-CE1 3.92Å; A131-Y137 HydrophobicContact CB-CE2 4.29Å; R135-Y137 VanDerWaalsContact C-N 3.3Å; R135-Y137 PolarHBondContact O-N 2.9Å; R135-Y137 VanDerWaalsContact O-N 3.12Å; Y137-P139 VanDerWaalsContact C-CD 3.42Å; Y137-P139 VanDerWaalsContact C-N 3.3Å; Y137-S140 WeakPolarHBondContact O-CA 3.26Å; Y137-S140 VanDerWaalsContact O-CB 3.26Å; Y137-S140 WeakPolarHBondContact O-CB 3.39Å; Y137-S140 PolarHBondContact O-N 2.81Å; Y137-S140 PolarHBondContact O-OG 3.14Å; Y137-V141 WeakPolarHBondContact O-CG2 3.19Å; Y137-V141 PolarHBondContact O-N 2.91Å; Y137-K444 PolarHBondContact OH-NZ 3.17Å; Y137-K444 VanDerWaalsContact OH-NZ 3.14Å
138S93Very high91.4Very high0 Ų011.4 Ų11.40%05%0.054CC..Hα-helixtrans-52-41175.5-175.80000113.4W44 T47 E52 R135 S140 V141 E142 V254W44-S138 PolarHBondContact NE1-OG 3.38Å; T47-S138 WeakPolarHBondContact CG2-OG 3.33Å; T47-S138 WeakPolarHBondContact OG1-CB 3.05Å; T47-S138 PolarHBondContact OG1-OG 3.29Å; E52-S138 WeakPolarHBondContact OE1-CA 2.86Å; E52-S138 VanDerWaalsContact OE1-CB 3.29Å; E52-S138 WeakPolarHBondContact OE1-CB 3.5Å; R135-S138 WeakPolarHBondContact O-CB 3.15Å; R135-S138 PolarHBondContact O-N 3.03Å; S138-S140 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 2.82Å; S138-V141 PolarHBondContact O-N 3.44Å; S138-E142 PolarHBondContact O-N 3.35Å; S138-V254 WeakPolarHBondContact OG-CG2 3.31Å
139P92.5Very high90.9Very high0 Ų015.6 Ų15.60%08%0.076CC..Hα-helixtrans-60.9-37.8172.1-24.436.6000113.3W44 C136 Y137 V141 E142 M143 P1258 F1297W44-P139 HydrophobicContact CH2-CG 4.37Å; W44-P139 HydrophobicContact CZ2-CG 4.03Å; C136-P139 WeakPolarHBondContact O-CD 3.14Å; Y137-P139 VanDerWaalsContact C-CD 3.42Å; Y137-P139 VanDerWaalsContact C-N 3.3Å; P139-V141 VanDerWaalsContact C-N 3.34Å; P139-V141 PolarHBondContact O-N 3.35Å; P139-E142 PolarHBondContact O-N 3.02Å; P139-M143 WeakPolarHBondContact O-CB 3.32Å; P139-M143 PolarHBondContact O-N 2.84Å; P139-P1258 HydrophobicContact CB-CB 3.97Å; P139-P1258 HydrophobicContact CB-CG 3.75Å; P139-P1258 WeakPolarHBondContact O-CB 3.28Å; P139-F1297 HydrophobicContact CG-CD1 3.69Å; P139-F1297 HydrophobicContact CG-CD2 3.72Å; P139-F1297 HydrophobicContact CG-CE1 3.56Å; P139-F1297 HydrophobicContact CG-CE2 3.6Å; P139-F1297 HydrophobicContact CG-CG 3.76Å; P139-F1297 HydrophobicContact CG-CZ 3.5Å; P139-F1297 VanDerWaalsContact CG-CZ 3.5Å
140S91.3Very high90.3Very high11 Ų1117.5 Ų17.58%0.0779%0.093CC..Hα-helixtrans-63.9-41.4177.5-31.90000110.6Y137 S138 M143 Y144 D1295Y137-S140 WeakPolarHBondContact O-CA 3.26Å; Y137-S140 VanDerWaalsContact O-CB 3.26Å; Y137-S140 WeakPolarHBondContact O-CB 3.39Å; Y137-S140 PolarHBondContact O-N 2.81Å; Y137-S140 PolarHBondContact O-OG 3.14Å; S138-S140 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 2.82Å; S140-M143 WeakPolarHBondContact O-CB 3.49Å; S140-M143 PolarHBondContact O-N 2.98Å; S140-Y144 WeakPolarHBondContact O-CD2 3.4Å; S140-Y144 PolarHBondContact O-N 3.35Å; S140-Y144 VanDerWaalsContact O-N 3.1Å; S140-D1295 WeakPolarHBondContact CA-O 3.42Å; S140-D1295 WeakPolarHBondContact CB-O 3.38Å; S140-D1295 PolarHBondContact N-O 2.88Å; S140-D1295 VanDerWaalsContact N-O 3.09Å; S140-D1295 PolarHBondContact OG-O 3.34Å
141V92Very high89.7Confident1 Ų119.2 Ų19.21%0.00610%0.102CC..Hα-helixtrans-64-43.3175.6-175.30000111.8T47 V51 E52 Y137 S138 P139 Y144 R145 P241T47-V141 HydrophobicContact CG2-CB 3.86Å; T47-V141 HydrophobicContact CG2-CG1 3.8Å; V51-V141 HydrophobicContact CB-CG1 4.43Å; V51-V141 HydrophobicContact CB-CG2 4.2Å; V51-V141 HydrophobicContact CG1-CB 4.32Å; V51-V141 HydrophobicContact CG1-CG1 3.87Å; V51-V141 HydrophobicContact CG1-CG2 3.61Å; E52-V141 HydrophobicContact CG-CG2 3.85Å; Y137-V141 WeakPolarHBondContact O-CG2 3.19Å; Y137-V141 PolarHBondContact O-N 2.91Å; S138-V141 PolarHBondContact O-N 3.44Å; P139-V141 VanDerWaalsContact C-N 3.34Å; P139-V141 PolarHBondContact O-N 3.35Å; V141-Y144 PolarHBondContact O-N 3.33Å; V141-R145 PolarHBondContact O-N 3.12Å; V141-R145 VanDerWaalsContact O-N 3.09Å; V141-P241 HydrophobicContact CG1-CB 3.71Å; V141-P241 HydrophobicContact CG1-CG 3.81Å
142E92.3Very high88.9Confident10 Ų1024.7 Ų24.75%0.04714%0.14CC..Hα-helixtrans-65.4-38.1175.1175.960.8-172.700111.9W44 S138 P139 Y144 R145 Q146 P1258W44-E142 HydrophobicContact CB-CB 4.38Å; W44-E142 VanDerWaalsContact CB-CD 3.45Å; W44-E142 HydrophobicContact CB-CG 3.77Å; W44-E142 HydrophobicContact CD2-CB 4.24Å; W44-E142 HydrophobicContact CD2-CG 4.05Å; W44-E142 HydrophobicContact CE3-CG 4.43Å; W44-E142 HydrophobicContact CG-CB 3.97Å; W44-E142 HydrophobicContact CG-CG 3.78Å; S138-E142 PolarHBondContact O-N 3.35Å; P139-E142 PolarHBondContact O-N 3.02Å; E142-Y144 PolarHBondContact O-N 3.31Å; E142-R145 CarbonylContact O-C 3.59Å; E142-R145 WeakPolarHBondContact O-CA 3.38Å; E142-R145 WeakPolarHBondContact O-CB 3.4Å; E142-R145 PolarHBondContact O-N 3.08Å; E142-R145 VanDerWaalsContact O-N 3.07Å; E142-R145 IonicContact OE1-CZ 3.08Å; E142-R145 IonicContact OE1-NE 3.36Å; E142-R145 IonicContact OE1-NH2 2.71Å; E142-R145 PolarHBondContact OE1-NH2 2.71Å; E142-R145 IonicContact OE2-CZ 3.67Å; E142-R145 IonicContact OE2-NE 3.9Å; E142-R145 PolarHBondContact OE2-NE 3.41Å; E142-R145 IonicContact OE2-NH2 2.72Å; E142-R145 PolarHBondContact OE2-NH2 3.06Å; E142-Q146 HydrophobicContact CG-CG 4.49Å; E142-Q146 WeakPolarHBondContact O-CG 3.32Å; E142-Q146 PolarHBondContact O-N 3.41Å; E142-Q146 PolarHBondContact OE1-NE2 3.01Å; E142-P1258 HydrophobicContact CB-CB 4.1Å; E142-P1258 HydrophobicContact CB-CG 4.39Å; E142-P1258 HydrophobicContact CG-CB 4.06Å; E142-P1258 HydrophobicContact CG-CG 4.24Å
143M90.5Very high88Confident1 Ų128 Ų281%0.00518%0.176CC..Hα-helixtrans-58.5-46.5174.3177.9-146.467.600111.7P139 S140 R145 Q146 L147 F191 P1258 I1293 D1295P139-M143 WeakPolarHBondContact O-CB 3.32Å; P139-M143 PolarHBondContact O-N 2.84Å; S140-M143 WeakPolarHBondContact O-CB 3.49Å; S140-M143 PolarHBondContact O-N 2.98Å; M143-R145 VanDerWaalsContact C-N 3.29Å; M143-R145 PolarHBondContact O-N 2.98Å; M143-Q146 PolarHBondContact O-N 3.46Å; M143-L147 HydrophobicContact CE-CD1 4Å; M143-L147 HydrophobicContact CG-CD1 4.08Å; M143-L147 WeakPolarHBondContact O-CB 3.49Å; M143-L147 WeakPolarHBondContact O-CG 3.37Å; M143-L147 PolarHBondContact O-N 2.91Å; M143-L147 HydrophobicContact SD-CD1 4.35Å; M143-F191 HydrophobicContact CE-CD1 3.8Å; M143-F191 HydrophobicContact CE-CD2 3.72Å; M143-F191 HydrophobicContact CE-CE1 3.82Å; M143-F191 HydrophobicContact CE-CE2 3.77Å; M143-F191 HydrophobicContact CE-CG 3.75Å; M143-F191 HydrophobicContact CE-CZ 3.82Å; M143-F191 HydrophobicContact SD-CD1 3.71Å; M143-F191 HydrophobicContact SD-CE1 3.57Å; M143-F191 VanDerWaalsContact SD-CE1 3.57Å; M143-F191 HydrophobicContact SD-CG 4.28Å; M143-F191 HydrophobicContact SD-CZ 4.05Å; M143-P1258 HydrophobicContact CB-CB 4.39Å; M143-I1293 HydrophobicContact SD-CG2 3.6Å; M143-I1293 VanDerWaalsContact SD-CG2 3.6Å; M143-D1295 HydrophobicContact SD-CB 3.75Å
144Y90.8Very high87.3Confident0 Ų032.1 Ų32.10%019%0.19CC..Hα-helixtrans-61.1-38.2173.1-74.7-68.4000112.4E55 S140 V141 E142 L147 S148 F191 H193 R238 H239E55-Y144 WeakPolarHBondContact OE1-CE2 3.2Å; E55-Y144 PolarHBondContact OE1-OH 3.37Å; S140-Y144 WeakPolarHBondContact O-CD2 3.4Å; S140-Y144 PolarHBondContact O-N 3.35Å; S140-Y144 VanDerWaalsContact O-N 3.1Å; V141-Y144 PolarHBondContact O-N 3.33Å; E142-Y144 PolarHBondContact O-N 3.31Å; Y144-L147 PolarHBondContact O-N 2.86Å; Y144-S148 WeakPolarHBondContact O-CB 3.38Å; Y144-S148 PolarHBondContact O-N 2.83Å; Y144-F191 AromaticContact CE1-CD2 3.67Å; Y144-F191 HydrophobicContact CE1-CD2 3.67Å; Y144-F191 AromaticContact CE1-CE2 3.82Å; Y144-F191 HydrophobicContact CE1-CE2 3.82Å; Y144-F191 AromaticContact CZ-CD2 3.75Å; Y144-F191 WeakPolarHBondContact OH-CD2 3.3Å; Y144-F191 PolarHBondContact OH-O 2.87Å; Y144-F191 VanDerWaalsContact OH-O 3.06Å; Y144-H193 AromaticContact CZ-NE2 3.96Å; Y144-H193 PolarHBondContact OH-NE2 3.5Å; Y144-H193 VanDerWaalsContact OH-NE2 3.12Å; Y144-R238 HydrophobicContact CD1-CB 3.98Å; Y144-R238 HydrophobicContact CD1-CG 4.3Å; Y144-R238 HydrophobicContact CE1-CB 4.13Å; Y144-R238 HydrophobicContact CE1-CG 4.1Å; Y144-H239 HydrophobicContact CD2-CB 4.07Å; Y144-H239 AromaticContact CE2-CD2 3.98Å; Y144-H239 HydrophobicContact CG-CB 3.96Å
145R88.5Confident86.7Confident51 Ų5133.5 Ų33.519%0.19220%0.199CC..Hα-helixtrans-61.5-47.7175.2-163-177.469.291.33.9111.1V141 E142 M143 S148 L149 P241V141-R145 PolarHBondContact O-N 3.12Å; V141-R145 VanDerWaalsContact O-N 3.09Å; E142-R145 CarbonylContact O-C 3.59Å; E142-R145 WeakPolarHBondContact O-CA 3.38Å; E142-R145 WeakPolarHBondContact O-CB 3.4Å; E142-R145 PolarHBondContact O-N 3.08Å; E142-R145 VanDerWaalsContact O-N 3.07Å; E142-R145 IonicContact OE1-CZ 3.08Å; E142-R145 IonicContact OE1-NE 3.36Å; E142-R145 IonicContact OE1-NH2 2.71Å; E142-R145 PolarHBondContact OE1-NH2 2.71Å; E142-R145 IonicContact OE2-CZ 3.67Å; E142-R145 IonicContact OE2-NE 3.9Å; E142-R145 PolarHBondContact OE2-NE 3.41Å; E142-R145 IonicContact OE2-NH2 2.72Å; E142-R145 PolarHBondContact OE2-NH2 3.06Å; M143-R145 VanDerWaalsContact C-N 3.29Å; M143-R145 PolarHBondContact O-N 2.98Å; R145-S148 CarbonylContact O-C 3.38Å; R145-S148 PolarHBondContact O-N 3.46Å; R145-S148 VanDerWaalsContact O-N 3.16Å; R145-S148 PolarHBondContact O-OG 3.22Å; R145-L149 HydrophobicContact CG-CD1 4.47Å; R145-L149 WeakPolarHBondContact O-CG 3.49Å; R145-L149 PolarHBondContact O-N 2.74Å; R145-L149 VanDerWaalsContact O-N 3.09Å; R145-P241 HydrophobicContact CB-CG 3.95Å; R145-P241 HydrophobicContact CG-CG 4.27Å
146Q87.8Confident85.8Confident73 Ų7338.5 Ų38.534%0.34124%0.241SC..Hα-helixtrans-62.9-43.6177.9-66.2-63.4-14.400112.3E142 M143 S148 L149 S150 P1258E142-Q146 HydrophobicContact CG-CG 4.49Å; E142-Q146 WeakPolarHBondContact O-CG 3.32Å; E142-Q146 PolarHBondContact O-N 3.41Å; E142-Q146 PolarHBondContact OE1-NE2 3.01Å; M143-Q146 PolarHBondContact O-N 3.46Å; Q146-S148 VanDerWaalsContact C-N 3.26Å; Q146-S148 PolarHBondContact O-N 3.03Å; Q146-L149 PolarHBondContact O-N 3.35Å; Q146-S150 PolarHBondContact O-N 3.11Å; Q146-P1258 WeakPolarHBondContact CG-O 3.19Å
147L85Confident85Confident10 Ų1039.5 Ų39.55%0.05226%0.255CS..Hα-helixtrans-56.9-40.2172.3-76162.2000112.2M143 Y144 L149 S150 F189 F191 A1260M143-L147 HydrophobicContact CE-CD1 4Å; M143-L147 HydrophobicContact CG-CD1 4.08Å; M143-L147 WeakPolarHBondContact O-CB 3.49Å; M143-L147 WeakPolarHBondContact O-CG 3.37Å; M143-L147 PolarHBondContact O-N 2.91Å; M143-L147 HydrophobicContact SD-CD1 4.35Å; Y144-L147 PolarHBondContact O-N 2.86Å; L147-L149 VanDerWaalsContact C-N 3.26Å; L147-L149 PolarHBondContact O-N 3.41Å; L147-S150 PolarHBondContact O-OG 3.12Å; L147-F189 HydrophobicContact CD2-CE2 4.31Å; L147-F191 HydrophobicContact CD1-CE1 4.36Å; L147-F191 HydrophobicContact CD1-CE2 3.84Å; L147-F191 HydrophobicContact CD1-CZ 3.43Å; L147-F191 VanDerWaalsContact CD1-CZ 3.43Å; L147-A1260 HydrophobicContact CD2-CB 3.7Å; L147-A1260 HydrophobicContact CG-CB 4.43Å
148S86.2Confident84.5Confident1 Ų142.7 Ų42.71%0.00727%0.27CS..Hα-helixtrans-72.7-14.3176.281.20000114.2Y144 R145 Q146 R154 L240Y144-S148 WeakPolarHBondContact O-CB 3.38Å; Y144-S148 PolarHBondContact O-N 2.83Å; R145-S148 CarbonylContact O-C 3.38Å; R145-S148 PolarHBondContact O-N 3.46Å; R145-S148 VanDerWaalsContact O-N 3.16Å; R145-S148 PolarHBondContact O-OG 3.22Å; Q146-S148 VanDerWaalsContact C-N 3.26Å; Q146-S148 PolarHBondContact O-N 3.03Å; S148-R154 WeakPolarHBondContact O-CD 3.14Å; S148-R154 PolarHBondContact O-NH1 3.4Å; S148-R154 PolarHBondContact OG-NH1 2.99Å; S148-L240 VanDerWaalsContact CB-CD1 3.43Å
149L84.2Confident84.3Confident87 Ų8743.1 Ų43.146%0.45527%0.272SS..Hα-helixtrans-92.5-31.3175.4-70.3169.5000111.5R145 Q146 L147 L151R145-L149 HydrophobicContact CG-CD1 4.47Å; R145-L149 WeakPolarHBondContact O-CG 3.49Å; R145-L149 PolarHBondContact O-N 2.74Å; R145-L149 VanDerWaalsContact O-N 3.09Å; Q146-L149 PolarHBondContact O-N 3.35Å; L147-L149 VanDerWaalsContact C-N 3.26Å; L147-L149 PolarHBondContact O-N 3.41Å; L149-L151 PolarHBondContact O-N 3.33Å; L149-L151 VanDerWaalsContact O-N 3.1Å
150S80.4Confident84.2Confident72 Ų7243.1 Ų43.150%0.50327%0.273SS..SBendtrans-70.63175.461.30000115.4Q146 L147Q146-S150 PolarHBondContact O-N 3.11Å; L147-S150 PolarHBondContact O-OG 3.12Å
151L81.5Confident84.2Confident43 Ų4342.6 Ų42.623%0.22527%0.269CS..  trans-92.1111.4177.7-70.8179.8000111L149 R154 F160 L167 Y209L149-L151 PolarHBondContact O-N 3.33Å; L149-L151 VanDerWaalsContact O-N 3.1Å; L151-R154 PolarHBondContact O-N 2.81Å; L151-F160 HydrophobicContact CD1-CE2 3.95Å; L151-F160 HydrophobicContact CD1-CZ 4.16Å; L151-L167 HydrophobicContact CB-CD1 4.26Å; L151-L167 HydrophobicContact CD1-CD2 4.42Å; L151-Y209 HydrophobicContact CD1-CD2 4.43Å; L151-Y209 HydrophobicContact CD1-CE1 4.2Å; L151-Y209 HydrophobicContact CD1-CE2 3.8Å
152S76.4Confident84.1Confident116 Ų11643.2 Ų43.281%0.81127%0.272SS*.THydrogen-bonded Turntrans-61.3137.8171.448.40000111.3R154S152-R154 VanDerWaalsContact C-N 3.33Å; S152-R154 PolarHBondContact O-N 2.95Å
153G74.1Confident83.8Confident73 Ų7342.8 Ų42.875%0.75327%0.27SS*.THydrogen-bonded Turntrans73.416.2178.300000115.7
154R79.2Confident83.4Confident89 Ų8945.1 Ų45.134%0.33628%0.281SS..  trans-48.8126177.6166.8169.7165175.70.6112.9S148 L151 S152 F160S148-R154 WeakPolarHBondContact O-CD 3.14Å; S148-R154 PolarHBondContact O-NH1 3.4Å; S148-R154 PolarHBondContact OG-NH1 2.99Å; L151-R154 PolarHBondContact O-N 2.81Å; S152-R154 VanDerWaalsContact C-N 3.33Å; S152-R154 PolarHBondContact O-N 2.95Å; R154-F160 HydrophobicContact CG-CE1 4.04Å; R154-F160 HydrophobicContact CG-CZ 4.19Å
155P80Confident82.8Confident29 Ų2948 Ų4819%0.18831%0.311CS..  trans-62.4146.2172.1-2434.6000113.5G157 F160 L167 A169P155-G157 PolarHBondContact O-N 3.14Å; P155-F160 HydrophobicContact CB-CB 4.48Å; P155-F160 HydrophobicContact CG-CB 4.16Å; P155-F160 HydrophobicContact CG-CG 4.45Å; P155-L167 HydrophobicContact CG-CB 4.18Å; P155-A169 HydrophobicContact CB-CB 4.04Å
156A71.9Confident82.6Confident109 Ų10949 Ų4990%0.90132%0.318SS*.SBendtrans-75113168.400000110
157G76Confident82.5Confident37 Ų3747.4 Ų47.438%0.38131%0.311SS..SBendtrans170.2-178.7-179.700000114P155P155-G157 PolarHBondContact O-N 3.14Å
158H80.2Confident82.7Confident84 Ų8447.9 Ų47.939%0.38932%0.315SS..SBendtrans-101.2-9.6176.6-63.2-42.4000113.8N211H158-N211 PolarHBondContact O-N 2.83Å
159V88.7Confident82.6Confident8 Ų850 Ų505%0.04833%0.333CS..EExtended strand (participates in β ladder)trans-143.6135.5175.4-177.40000109.4L208 Y209 A210 D216 F217 W220V159-L208 HydrophobicContact CG1-CD1 3.71Å; V159-L208 HydrophobicContact CG1-CG 4.43Å; V159-Y209 CarbonylContact C-O 3.58Å; V159-Y209 WeakPolarHBondContact CA-O 3.29Å; V159-A210 HydrophobicContact CB-CB 4.37Å; V159-A210 HydrophobicContact CG1-CB 4.04Å; V159-A210 HydrophobicContact CG2-CB 3.86Å; V159-D216 HydrophobicContact CB-CB 4.45Å; V159-D216 HydrophobicContact CG2-CB 3.9Å; V159-F217 HydrophobicContact CG2-CB 4.36Å; V159-W220 HydrophobicContact CG1-CB 4.2Å; V159-W220 VanDerWaalsContact CG1-CD1 3.44Å; V159-W220 HydrophobicContact CG1-CD2 4.34Å; V159-W220 HydrophobicContact CG1-CG 3.76Å
160F91.6Very high82.7Confident1 Ų150.3 Ų50.30%0.00434%0.335CS..EExtended strand (participates in β ladder)trans-151.7158.6165.463.8-91.4000110.9L151 R154 P155 L167 S168 A169 Y209 L240L151-F160 HydrophobicContact CD1-CE2 3.95Å; L151-F160 HydrophobicContact CD1-CZ 4.16Å; R154-F160 HydrophobicContact CG-CE1 4.04Å; R154-F160 HydrophobicContact CG-CZ 4.19Å; P155-F160 HydrophobicContact CB-CB 4.48Å; P155-F160 HydrophobicContact CG-CB 4.16Å; P155-F160 HydrophobicContact CG-CG 4.45Å; F160-L167 HydrophobicContact CD2-CD2 4.47Å; F160-L167 HydrophobicContact CE2-CD2 4.34Å; F160-S168 CarbonylContact C-O 3.55Å; F160-S168 WeakPolarHBondContact CA-O 3.38Å; F160-S168 WeakPolarHBondContact CB-O 3.5Å; F160-A169 HydrophobicContact CB-CB 4.34Å; F160-Y209 HydrophobicContact CD2-CD2 4.19Å; F160-Y209 HydrophobicContact CD2-CG 4.38Å; F160-Y209 HydrophobicContact CE1-CG 4.32Å; F160-Y209 HydrophobicContact CE2-CD1 4.46Å; F160-Y209 AromaticContact CE2-CD2 3.53Å; F160-Y209 HydrophobicContact CE2-CD2 3.53Å; F160-Y209 HydrophobicContact CE2-CE2 4.26Å; F160-Y209 AromaticContact CE2-CG 3.65Å; F160-Y209 HydrophobicContact CE2-CG 3.65Å; F160-Y209 HydrophobicContact CZ-CD1 4.08Å; F160-Y209 AromaticContact CZ-CD2 3.99Å; F160-Y209 HydrophobicContact CZ-CD2 3.99Å; F160-Y209 AromaticContact CZ-CG 3.61Å; F160-Y209 HydrophobicContact CZ-CG 3.61Å; F160-Y209 PolarHBondContact N-O 3.37Å; F160-Y209 PolarHBondContact O-N 3.31Å; F160-Y209 VanDerWaalsContact O-O 3.13Å; F160-L240 HydrophobicContact CD1-CD2 3.88Å; F160-L240 HydrophobicContact CE1-CD1 3.85Å; F160-L240 HydrophobicContact CE1-CD2 3.66Å; F160-L240 HydrophobicContact CE1-CG 4.43Å; F160-L240 HydrophobicContact CZ-CD1 4.4Å
161V91.1Very high82.9Confident0 Ų049.6 Ų49.60%033%0.325CS..EExtended strand (participates in β ladder)trans-109.4139.8173.972.10000110.4V163 L167 S168 L174 L177 A206 I207 L208 W220V161-V163 HydrophobicContact CG1-CG2 4.29Å; V161-V163 HydrophobicContact CG2-CG2 4.06Å; V161-L167 WeakPolarHBondContact O-CA 3.47Å; V161-S168 PolarHBondContact N-O 3.13Å; V161-S168 PolarHBondContact O-N 3.38Å; V161-L174 HydrophobicContact CG1-CD1 4.34Å; V161-L177 HydrophobicContact CG1-CD1 4.22Å; V161-A206 HydrophobicContact CG2-CB 4Å; V161-I207 WeakPolarHBondContact CA-O 3.45Å; V161-L208 HydrophobicContact CB-CD1 4.46Å; V161-W220 HydrophobicContact CB-CE3 4.5Å; V161-W220 HydrophobicContact CB-CH2 4.07Å; V161-W220 HydrophobicContact CB-CZ3 3.82Å; V161-W220 HydrophobicContact CG1-CH2 3.58Å; V161-W220 HydrophobicContact CG1-CZ3 3.67Å; V161-W220 HydrophobicContact CG2-CZ3 4.48Å
162D89Confident83Confident13 Ų1353.8 Ų53.87%0.0735%0.348CS..EExtended strand (participates in β ladder)trans-101.8122.8164.7168.218.3000108.9H164 G165 L167 A206 I207 Y209D162-H164 PolarHBondContact OD1-N 2.9Å; D162-G165 WeakPolarHBondContact OD1-CA 3.49Å; D162-G165 PolarHBondContact OD1-N 3.33Å; D162-L167 HydrophobicContact CB-CD2 3.52Å; D162-A206 WeakPolarHBondContact O-CA 3.38Å; D162-I207 HydrophobicContact CB-CB 4.22Å; D162-I207 PolarHBondContact N-O 3.12Å; D162-I207 PolarHBondContact O-N 2.94Å; D162-Y209 HydrophobicContact CB-CE2 4.25Å
163V87Confident83.4Confident1 Ų149 Ų491%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-120.692.5173.5-179.80000107.5V161 G165 Q166 L174 L177 L178 A181 A206V161-V163 HydrophobicContact CG1-CG2 4.29Å; V161-V163 HydrophobicContact CG2-CG2 4.06Å; V163-G165 VanDerWaalsContact C-N 3.29Å; V163-G165 PolarHBondContact O-N 2.89Å; V163-Q166 PolarHBondContact N-O 3.12Å; V163-Q166 PolarHBondContact O-N 3.27Å; V163-Q166 VanDerWaalsContact O-N 3.15Å; V163-L174 HydrophobicContact CG2-CD1 4.23Å; V163-L177 HydrophobicContact CB-CB 4Å; V163-L177 HydrophobicContact CB-CD1 4.38Å; V163-L177 HydrophobicContact CG1-CB 4.1Å; V163-L177 HydrophobicContact CG2-CB 4.09Å; V163-L177 HydrophobicContact CG2-CD1 4.15Å; V163-L178 HydrophobicContact CG1-CD2 4.33Å; V163-A181 HydrophobicContact CG1-CB 3.93Å; V163-A206 HydrophobicContact CG2-CB 4.3Å
164H81.2Confident83.9Confident50 Ų5045.6 Ų45.623%0.23128%0.279CS..THydrogen-bonded Turntrans56.733.9177.3-56.5-95.3000115D162 I182 R184 W205D162-H164 PolarHBondContact OD1-N 2.9Å; H164-I182 PolarHBondContact CE1-O 3.27Å; H164-I182 VanDerWaalsContact CE1-O 3.23Å; H164-I182 PolarHBondContact ND1-O 3.15Å; H164-R184 PolarHBondContact CE1-O 3.08Å; H164-R184 PolarHBondContact ND1-O 3.02Å; H164-W205 AromaticContact CE1-CD1 3.92Å; H164-W205 PolarHBondContact NE2-N 3.43Å
165G78.2Confident84.1Confident61 Ų6144.7 Ų44.763%0.62928%0.281SS*.THydrogen-bonded Turntrans97.6-6.5-179.400000114.6D162 V163D162-G165 WeakPolarHBondContact OD1-CA 3.49Å; D162-G165 PolarHBondContact OD1-N 3.33Å; V163-G165 VanDerWaalsContact C-N 3.29Å; V163-G165 PolarHBondContact O-N 2.89Å
166Q84.6Confident84.3Confident73 Ų7349.5 Ų49.534%0.34130%0.3SS..EExtended strand (participates in β ladder)trans-91.2123166.7-66.5-176.1-28.100109.5V163 L177V163-Q166 PolarHBondContact N-O 3.12Å; V163-Q166 PolarHBondContact O-N 3.27Å; V163-Q166 VanDerWaalsContact O-N 3.15Å; Q166-L177 HydrophobicContact CB-CD2 3.71Å; Q166-L177 HydrophobicContact CG-CD2 4.49Å; Q166-L177 VanDerWaalsContact OE1-CD2 3.26Å
167L86.9Confident84.9Confident39 Ų3945.2 Ų45.220%0.20426%0.262CS..EExtended strand (participates in β ladder)trans-102.8137.6-177.6-52.5-177.4000111.3L151 P155 F160 V161 D162L151-L167 HydrophobicContact CB-CD1 4.26Å; L151-L167 HydrophobicContact CD1-CD2 4.42Å; P155-L167 HydrophobicContact CG-CB 4.18Å; F160-L167 HydrophobicContact CD2-CD2 4.47Å; F160-L167 HydrophobicContact CE2-CD2 4.34Å; V161-L167 WeakPolarHBondContact O-CA 3.47Å; D162-L167 HydrophobicContact CB-CD2 3.52Å
168S87.5Confident85.1Confident20 Ų2043.9 Ų43.914%0.1425%0.247CC..EExtended strand (participates in β ladder)trans-149.5144.2170.6-177.40000113.4F160 V161 N170 S173F160-S168 CarbonylContact C-O 3.55Å; F160-S168 WeakPolarHBondContact CA-O 3.38Å; F160-S168 WeakPolarHBondContact CB-O 3.5Å; V161-S168 PolarHBondContact N-O 3.13Å; V161-S168 PolarHBondContact O-N 3.38Å; S168-N170 PolarHBondContact OG-N 3.1Å; S168-N170 VanDerWaalsContact OG-N 3.08Å; S168-S173 WeakPolarHBondContact CB-OG 3.47Å; S168-S173 PolarHBondContact OG-OG 3.14Å
169A85.1Confident85.2Confident46 Ų4645.9 Ų45.938%0.3826%0.26SS..  trans-97-8169.900000113.4P155 F160P155-A169 HydrophobicContact CB-CB 4.04Å; F160-A169 HydrophobicContact CB-CB 4.34Å
170N85.6Confident84.8Confident92 Ų9251.5 Ų51.549%0.49229%0.286SS..  trans-93.3116-176.8-175.7-12.1000111.5S168 N172 S173S168-N170 PolarHBondContact OG-N 3.1Å; S168-N170 VanDerWaalsContact OG-N 3.08Å; N170-N172 PolarHBondContact O-N 3.04Å; N170-N172 VanDerWaalsContact O-N 3.16Å; N170-N172 PolarHBondContact OD1-N 3.4Å; N170-N172 VanDerWaalsContact OD1-N 3.07Å; N170-S173 PolarHBondContact O-N 3.47Å; N170-S173 VanDerWaalsContact O-N 3.08Å; N170-S173 PolarHBondContact O-OG 3.35Å
171I84.2Confident83.7Confident57 Ų5752.1 Ų52.129%0.29229%0.291SS..G310 helixtrans-58.9-29-176.3-160.2165.4000113.8W220 L223I171-W220 VanDerWaalsContact CA-CZ2 3.43Å; I171-W220 HydrophobicContact CB-CH2 4.42Å; I171-W220 HydrophobicContact CB-CZ2 3.92Å; I171-W220 HydrophobicContact CD1-CD2 4.33Å; I171-W220 HydrophobicContact CD1-CG 4.38Å; I171-W220 HydrophobicContact CG1-CD2 4.16Å; I171-W220 HydrophobicContact CG1-CE3 4.37Å; I171-W220 HydrophobicContact CG1-CZ2 4.29Å; I171-L223 HydrophobicContact CD1-CD2 3.83Å; I171-L223 HydrophobicContact CG1-CD2 3.45Å; I171-L223 VanDerWaalsContact CG1-CD2 3.45Å
172N85.3Confident82.7Confident131 Ų13158.3 Ų58.370%0.70132%0.323SS*.G310 helixtrans-74-26.9179.9-65-13.1000112.9N170 L174N170-N172 PolarHBondContact O-N 3.04Å; N170-N172 VanDerWaalsContact O-N 3.16Å; N170-N172 PolarHBondContact OD1-N 3.4Å; N170-N172 VanDerWaalsContact OD1-N 3.07Å; N172-L174 PolarHBondContact O-N 2.98Å
173S84.9Confident81.7Confident16 Ų1663.4 Ų63.411%0.11235%0.346CS..G310 helixtrans-75-8.1-179.465.50000114S168 N170 D175 E176 L177S168-S173 WeakPolarHBondContact CB-OG 3.47Å; S168-S173 PolarHBondContact OG-OG 3.14Å; N170-S173 PolarHBondContact O-N 3.47Å; N170-S173 VanDerWaalsContact O-N 3.08Å; N170-S173 PolarHBondContact O-OG 3.35Å; S173-D175 VanDerWaalsContact C-N 3.33Å; S173-D175 PolarHBondContact O-N 3.06Å; S173-E176 WeakPolarHBondContact O-CB 3.32Å; S173-E176 PolarHBondContact O-N 3.02Å; S173-E176 VanDerWaalsContact O-N 3.09Å; S173-L177 WeakPolarHBondContact O-CG 3.4Å; S173-L177 PolarHBondContact O-N 3.36Å
174L83.5Confident80.7Confident1 Ų172.7 Ų72.71%0.00538%0.381CS..Hα-helixtrans-59.2-39.7-175.2178.863.5000112.9V161 V163 N172 L178 W220 L223 L224V161-L174 HydrophobicContact CG1-CD1 4.34Å; V163-L174 HydrophobicContact CG2-CD1 4.23Å; N172-L174 PolarHBondContact O-N 2.98Å; L174-L178 HydrophobicContact CD1-CD1 4.02Å; L174-L178 HydrophobicContact CD1-CG 4.13Å; L174-L178 HydrophobicContact CG-CD1 3.87Å; L174-L178 HydrophobicContact CG-CG 4.41Å; L174-L178 VanDerWaalsContact O-CB 3.3Å; L174-L178 WeakPolarHBondContact O-CB 3.21Å; L174-L178 WeakPolarHBondContact O-CG 3.49Å; L174-L178 PolarHBondContact O-N 2.9Å; L174-W220 HydrophobicContact CB-CZ3 4.47Å; L174-W220 HydrophobicContact CD1-CZ3 4.46Å; L174-W220 HydrophobicContact CD2-CZ3 4.33Å; L174-L223 HydrophobicContact CD2-CD2 3.75Å; L174-L223 HydrophobicContact CD2-CG 4.08Å; L174-L224 HydrophobicContact CD1-CD2 4.27Å; L174-L224 HydrophobicContact CD2-CD2 3.8Å
175D83Confident79.9Confident71 Ų7173.5 Ų73.538%0.3839%0.393SS..Hα-helixtrans-70-31.4177.7-76.9-63000112.4S173 N179 R227S173-D175 VanDerWaalsContact C-N 3.33Å; S173-D175 PolarHBondContact O-N 3.06Å; D175-N179 WeakPolarHBondContact O-CB 3.41Å; D175-N179 PolarHBondContact O-N 2.92Å; D175-N179 PolarHBondContact O-ND2 3.35Å; D175-R227 IonicContact OD1-CZ 3.78Å; D175-R227 IonicContact OD1-NH1 3.64Å; D175-R227 PolarHBondContact OD1-NH1 3.19Å; D175-R227 IonicContact OD1-NH2 3.21Å; D175-R227 PolarHBondContact OD1-NH2 3.14Å; D175-R227 IonicContact OD2-CZ 3.36Å; D175-R227 IonicContact OD2-NH2 2.68Å; D175-R227 PolarHBondContact OD2-NH2 3.43Å
176E85.2Confident79.6Confident129 Ų12971.5 Ų71.560%0.60337%0.368SS*.Hα-helixtrans-68.5-49.1174.5-59.7-178.5149.800111.1S173 L178 N179 Q180S173-E176 WeakPolarHBondContact O-CB 3.32Å; S173-E176 PolarHBondContact O-N 3.02Å; S173-E176 VanDerWaalsContact O-N 3.09Å; E176-L178 VanDerWaalsContact C-N 3.34Å; E176-L178 PolarHBondContact O-N 3.12Å; E176-N179 PolarHBondContact O-N 2.82Å; E176-Q180 PolarHBondContact O-N 3.38Å
177L83.2Confident78.9Confident19 Ų1972.1 Ų72.110%0.09938%0.379CS..Hα-helixtrans-58.3-45.7175.2-66.2-177.8000111.5V161 V163 Q166 S173 N179 Q180 A181V161-L177 HydrophobicContact CG1-CD1 4.22Å; V163-L177 HydrophobicContact CB-CB 4Å; V163-L177 HydrophobicContact CB-CD1 4.38Å; V163-L177 HydrophobicContact CG1-CB 4.1Å; V163-L177 HydrophobicContact CG2-CB 4.09Å; V163-L177 HydrophobicContact CG2-CD1 4.15Å; Q166-L177 HydrophobicContact CB-CD2 3.71Å; Q166-L177 HydrophobicContact CG-CD2 4.49Å; Q166-L177 VanDerWaalsContact OE1-CD2 3.26Å; S173-L177 WeakPolarHBondContact O-CG 3.4Å; S173-L177 PolarHBondContact O-N 3.36Å; L177-N179 PolarHBondContact O-N 3.18Å; L177-Q180 PolarHBondContact O-N 2.95Å; L177-A181 WeakPolarHBondContact O-CB 3.32Å; L177-A181 PolarHBondContact O-N 3.45Å
178L81.3Confident78.2Confident10 Ų1071.9 Ų71.95%0.05238%0.377CS..Hα-helixtrans-63.2-29175.9-74.4170.2000112V163 L174 E176 K204 L233V163-L178 HydrophobicContact CG1-CD2 4.33Å; L174-L178 HydrophobicContact CD1-CD1 4.02Å; L174-L178 HydrophobicContact CD1-CG 4.13Å; L174-L178 HydrophobicContact CG-CD1 3.87Å; L174-L178 HydrophobicContact CG-CG 4.41Å; L174-L178 VanDerWaalsContact O-CB 3.3Å; L174-L178 WeakPolarHBondContact O-CB 3.21Å; L174-L178 WeakPolarHBondContact O-CG 3.49Å; L174-L178 PolarHBondContact O-N 2.9Å; E176-L178 VanDerWaalsContact C-N 3.34Å; E176-L178 PolarHBondContact O-N 3.12Å; L178-K204 HydrophobicContact CD2-CB 4.19Å; L178-K204 HydrophobicContact CD2-CD 4.39Å; L178-K204 VanDerWaalsContact O-CD 3.28Å; L178-K204 WeakPolarHBondContact O-CD 3.34Å; L178-K204 WeakPolarHBondContact O-CE 3.36Å; L178-K204 PolarHBondContact O-NZ 2.78Å; L178-L233 HydrophobicContact CD1-CD2 3.8Å; L178-L233 HydrophobicContact CD2-CB 4.38Å; L178-L233 HydrophobicContact CD2-CD2 4.04Å
179N82.1Confident77.5Confident126 Ų12672.5 Ų72.567%0.67438%0.377SS*.Hα-helixtrans-78.2-32175.8-74.4-28.6000113.2D175 E176 L177D175-N179 WeakPolarHBondContact O-CB 3.41Å; D175-N179 PolarHBondContact O-N 2.92Å; D175-N179 PolarHBondContact O-ND2 3.35Å; E176-N179 PolarHBondContact O-N 2.82Å; L177-N179 PolarHBondContact O-N 3.18Å
180Q79.1Confident76.7Confident126 Ų12675.2 Ų75.259%0.58939%0.394SS*.Hα-helixtrans-78.7-19.5173.5-63.7-178.730.100113.5E176 L177 I182E176-Q180 PolarHBondContact O-N 3.38Å; L177-Q180 PolarHBondContact O-N 2.95Å; Q180-I182 PolarHBondContact O-N 3.46Å
181A70.1Confident76.3Confident13 Ų1372 Ų7211%0.10738%0.375CS..  trans-56.1117.4-175.800000115V163 L177 K204V163-A181 HydrophobicContact CG1-CB 3.93Å; L177-A181 WeakPolarHBondContact O-CB 3.32Å; L177-A181 PolarHBondContact O-N 3.45Å; A181-K204 HydrophobicContact CB-CD 4.32Å; A181-K204 HydrophobicContact CB-CG 4.35Å
182I68.5Low76.3Confident131 Ų13169.7 Ų69.767%0.67236%0.364SS*.  trans-67.1138.6168.9-57.1175.2000109.7H164 Q180 R184H164-I182 PolarHBondContact CE1-O 3.27Å; H164-I182 VanDerWaalsContact CE1-O 3.23Å; H164-I182 PolarHBondContact ND1-O 3.15Å; Q180-I182 PolarHBondContact O-N 3.46Å; I182-R184 HydrophobicContact CG2-CB 4.36Å; I182-R184 PolarHBondContact O-N 3.05Å
183E68Low76.4Confident119 Ų11963.9 Ų63.956%0.55633%0.333SS*.SBendtrans-73.243.7-177.3-57.6-172.5145.700114.9K203E183-K203 HydrophobicContact CB-CB 4.41Å; E183-K203 HydrophobicContact CB-CD 4.37Å; E183-K203 HydrophobicContact CG-CB 4.39Å; E183-K203 HydrophobicContact CG-CD 4.1Å; E183-K203 WeakPolarHBondContact OE1-CD 3.38Å; E183-K203 IonicContact OE1-NZ 2.82Å; E183-K203 PolarHBondContact OE1-NZ 3.1Å; E183-K203 VanDerWaalsContact OE2-CD 3.32Å; E183-K203 WeakPolarHBondContact OE2-CD 3.3Å; E183-K203 IonicContact OE2-NZ 2.64Å; E183-K203 PolarHBondContact OE2-NZ 3.3Å
184R67Low76.4Confident196 Ų19666 Ų6674%0.7434%0.342SS*.  trans-114.4128.1180-178179.2-179.2175.21.5110.7H164 I182H164-R184 PolarHBondContact CE1-O 3.08Å; H164-R184 PolarHBondContact ND1-O 3.02Å; I182-R184 HydrophobicContact CG2-CB 4.36Å; I182-R184 PolarHBondContact O-N 3.05Å
185S64.8Low76.3Confident68 Ų6867.6 Ų67.648%0.47635%0.348SS..PPolyproline II helixtrans-62.5133.3177.151.50000112
186P71.6Confident75.6Confident19 Ų1967.2 Ų67.212%0.12336%0.355CS..PPolyproline II helixtrans-67.9167.9170.530.8-35.1000111.2I188 W205 I207P186-I188 HydrophobicContact CG-CG1 4.33Å; P186-I188 WeakPolarHBondContact O-CG1 3.43Å; P186-I188 PolarHBondContact O-N 3.47Å; P186-W205 VanDerWaalsContact CD-CG 3.45Å; P186-W205 HydrophobicContact CG-CB 3.87Å; P186-W205 HydrophobicContact CG-CD2 4.41Å; P186-W205 HydrophobicContact CG-CG 4.09Å; P186-I207 HydrophobicContact CB-CD1 4.19Å; P186-I207 HydrophobicContact CG-CD1 4.03Å
187P68.7Low74.2Confident85 Ų8564.4 Ų64.455%0.55235%0.354SS*.PPolyproline II helixtrans-63.7116.1168.726.9-33.5000110.2F189 R238P187-F189 HydrophobicContact CB-CZ 4.17Å; P187-R238 PolarHBondContact O-NH2 2.62Å
188I72.3Confident73Confident35 Ų3571.3 Ų71.318%0.17938%0.379CS..  trans-115.2124.8179.6-61.1147.2000107.1P186 D192 W205 Q1283P186-I188 HydrophobicContact CG-CG1 4.33Å; P186-I188 WeakPolarHBondContact O-CG1 3.43Å; P186-I188 PolarHBondContact O-N 3.47Å; I188-D192 WeakPolarHBondContact CA-OD2 3.16Å; I188-D192 HydrophobicContact CG2-CB 4.05Å; I188-W205 HydrophobicContact CD1-CD2 4.17Å; I188-W205 HydrophobicContact CD1-CE3 3.74Å; I188-W205 HydrophobicContact CD1-CH2 3.46Å; I188-W205 VanDerWaalsContact CD1-CH2 3.46Å; I188-W205 HydrophobicContact CD1-CZ2 3.89Å; I188-W205 HydrophobicContact CD1-CZ3 3.38Å; I188-W205 HydrophobicContact CG1-CE3 4.42Å; I188-W205 HydrophobicContact CG1-CZ3 4.21Å; I188-Q1283 PolarHBondContact O-NE2 3.3Å
189F73.8Confident71.8Confident32 Ų3272.6 Ų72.614%0.1439%0.388CS..  trans-99.7168.4-175.2-55.9-68.3000111.6L147 P187 F191 D192 V1291 I1293L147-F189 HydrophobicContact CD2-CE2 4.31Å; P187-F189 HydrophobicContact CB-CZ 4.17Å; F189-F191 HydrophobicContact CB-CD1 3.84Å; F189-F191 HydrophobicContact CB-CD2 4.33Å; F189-F191 HydrophobicContact CB-CE1 3.38Å; F189-F191 HydrophobicContact CB-CE2 3.91Å; F189-F191 HydrophobicContact CB-CG 4.29Å; F189-F191 HydrophobicContact CB-CZ 3.42Å; F189-F191 VanDerWaalsContact CB-CZ 3.42Å; F189-F191 HydrophobicContact CD2-CE1 4.09Å; F189-F191 AromaticContact CD2-CE2 3.98Å; F189-F191 HydrophobicContact CD2-CE2 3.98Å; F189-F191 AromaticContact CD2-CZ 3.38Å; F189-F191 HydrophobicContact CD2-CZ 3.38Å; F189-F191 HydrophobicContact CE2-CZ 4.31Å; F189-F191 AromaticContact CG-CE1 3.83Å; F189-F191 HydrophobicContact CG-CE1 3.83Å; F189-F191 HydrophobicContact CG-CE2 4.35Å; F189-F191 AromaticContact CG-CZ 3.6Å; F189-F191 HydrophobicContact CG-CZ 3.6Å; F189-F191 PolarHBondContact O-N 3.44Å; F189-D192 PolarHBondContact N-OD2 3.29Å; F189-D192 PolarHBondContact O-N 2.98Å; F189-V1291 HydrophobicContact CE1-CG1 4.01Å; F189-I1293 HydrophobicContact CB-CD1 4Å; F189-I1293 HydrophobicContact CD1-CD1 3.89Å; F189-I1293 HydrophobicContact CG-CD1 4.2Å
190S68.3Low70.7Confident104 Ų10473.8 Ų73.873%0.72740%0.395SS*.THydrogen-bonded Turntrans-66.9-18.1-17845.10000114.6
191F78Confident69.8Low23 Ų2376.7 Ų76.710%0.10141%0.405CS..THydrogen-bonded Turntrans-92.1-9.7176.157.2-106.9000114M143 Y144 L147 F189 H193 I1293M143-F191 HydrophobicContact CE-CD1 3.8Å; M143-F191 HydrophobicContact CE-CD2 3.72Å; M143-F191 HydrophobicContact CE-CE1 3.82Å; M143-F191 HydrophobicContact CE-CE2 3.77Å; M143-F191 HydrophobicContact CE-CG 3.75Å; M143-F191 HydrophobicContact CE-CZ 3.82Å; M143-F191 HydrophobicContact SD-CD1 3.71Å; M143-F191 HydrophobicContact SD-CE1 3.57Å; M143-F191 VanDerWaalsContact SD-CE1 3.57Å; M143-F191 HydrophobicContact SD-CG 4.28Å; M143-F191 HydrophobicContact SD-CZ 4.05Å; Y144-F191 AromaticContact CE1-CD2 3.67Å; Y144-F191 HydrophobicContact CE1-CD2 3.67Å; Y144-F191 AromaticContact CE1-CE2 3.82Å; Y144-F191 HydrophobicContact CE1-CE2 3.82Å; Y144-F191 AromaticContact CZ-CD2 3.75Å; Y144-F191 WeakPolarHBondContact OH-CD2 3.3Å; Y144-F191 PolarHBondContact OH-O 2.87Å; Y144-F191 VanDerWaalsContact OH-O 3.06Å; L147-F191 HydrophobicContact CD1-CE1 4.36Å; L147-F191 HydrophobicContact CD1-CE2 3.84Å; L147-F191 HydrophobicContact CD1-CZ 3.43Å; L147-F191 VanDerWaalsContact CD1-CZ 3.43Å; F189-F191 HydrophobicContact CB-CD1 3.84Å; F189-F191 HydrophobicContact CB-CD2 4.33Å; F189-F191 HydrophobicContact CB-CE1 3.38Å; F189-F191 HydrophobicContact CB-CE2 3.91Å; F189-F191 HydrophobicContact CB-CG 4.29Å; F189-F191 HydrophobicContact CB-CZ 3.42Å; F189-F191 VanDerWaalsContact CB-CZ 3.42Å; F189-F191 HydrophobicContact CD2-CE1 4.09Å; F189-F191 AromaticContact CD2-CE2 3.98Å; F189-F191 HydrophobicContact CD2-CE2 3.98Å; F189-F191 AromaticContact CD2-CZ 3.38Å; F189-F191 HydrophobicContact CD2-CZ 3.38Å; F189-F191 HydrophobicContact CE2-CZ 4.31Å; F189-F191 AromaticContact CG-CE1 3.83Å; F189-F191 HydrophobicContact CG-CE1 3.83Å; F189-F191 HydrophobicContact CG-CE2 4.35Å; F189-F191 AromaticContact CG-CZ 3.6Å; F189-F191 HydrophobicContact CG-CZ 3.6Å; F189-F191 PolarHBondContact O-N 3.44Å; F191-H193 PolarHBondContact O-N 2.66Å; F191-I1293 HydrophobicContact CD1-CD1 4.13Å; F191-I1293 HydrophobicContact CD1-CG2 3.81Å; F191-I1293 HydrophobicContact CE1-CB 4.49Å; F191-I1293 HydrophobicContact CE1-CD1 3.73Å; F191-I1293 HydrophobicContact CE1-CG1 4.01Å; F191-I1293 HydrophobicContact CE1-CG2 3.66Å
192D82.8Confident69.6Low10 Ų1076.5 Ų76.55%0.05340%0.404CS..  trans-69.2121.3-169.2-85.7-36.4000112.7I188 F189 L194 V236 R238I188-D192 WeakPolarHBondContact CA-OD2 3.16Å; I188-D192 HydrophobicContact CG2-CB 4.05Å; F189-D192 PolarHBondContact N-OD2 3.29Å; F189-D192 PolarHBondContact O-N 2.98Å; D192-L194 PolarHBondContact O-N 3.09Å; D192-V236 HydrophobicContact CB-CG1 3.8Å; D192-R238 WeakPolarHBondContact OD1-CG 3.37Å; D192-R238 IonicContact OD1-CZ 2.85Å; D192-R238 IonicContact OD1-NE 3.32Å; D192-R238 PolarHBondContact OD1-NE 2.85Å; D192-R238 IonicContact OD1-NH2 3.92Å; D192-R238 PolarHBondContact OD1-NH2 2.89Å; D192-R238 IonicContact OD2-CZ 2.62Å; D192-R238 IonicContact OD2-NE 3.93Å; D192-R238 IonicContact OD2-NH2 2.94Å; D192-R238 PolarHBondContact OD2-NH2 3.21Å
193H88Confident69.9Low9 Ų975.9 Ų75.94%0.04240%0.396CS..EExtended strand (participates in β ladder)trans-71.896.6-176.7-58.1-53000111.5E55 A58 F65 W66 Y144 F191 V236 F237E55-H193 IonicContact OE1-CD2 3.33Å; E55-H193 IonicContact OE1-CE1 2.8Å; E55-H193 IonicContact OE1-NE2 3.27Å; E55-H193 PolarHBondContact OE1-NE2 2.79Å; E55-H193 IonicContact OE2-CE1 2.74Å; E55-H193 IonicContact OE2-NE2 2.72Å; A58-H193 WeakPolarHBondContact CB-CE1 3.28Å; F65-H193 HydrophobicContact CD1-CB 4.24Å; F65-H193 HydrophobicContact CE1-CB 3.88Å; F65-H193 AromaticContact CE2-CD2 3.85Å; F65-H193 AromaticContact CE2-NE2 3.99Å; F65-H193 HydrophobicContact CZ-CB 4.15Å; F65-H193 AromaticContact CZ-CD2 3.87Å; F65-H193 AromaticContact CZ-CG 3.91Å; W66-H193 HydrophobicContact CZ2-CB 4.33Å; Y144-H193 AromaticContact CZ-NE2 3.96Å; Y144-H193 PolarHBondContact OH-NE2 3.5Å; Y144-H193 VanDerWaalsContact OH-NE2 3.12Å; F191-H193 PolarHBondContact O-N 2.66Å; H193-V236 WeakPolarHBondContact O-CA 3.3Å; H193-F237 HydrophobicContact CB-CB 4.29Å; H193-F237 HydrophobicContact CB-CD1 4.31Å; H193-F237 AromaticContact CD2-CD1 3.86Å; H193-F237 PolarHBondContact O-N 2.84Å
194L84.4Confident70.7Confident60 Ų6072.8 Ų72.831%0.31438%0.381SS..EExtended strand (participates in β ladder)trans-83125.4-178.1-75.6159.5000112.1W66 D192 A196 W205 V236W66-L194 PolarHBondContact NE1-O 3.15Å; D192-L194 PolarHBondContact O-N 3.09Å; L194-A196 PolarHBondContact O-N 3.37Å; L194-A196 VanDerWaalsContact O-N 3.13Å; L194-W205 HydrophobicContact CD2-CH2 4.48Å; L194-W205 HydrophobicContact CD2-CZ3 3.89Å; L194-V236 HydrophobicContact CD2-CG2 3.81Å
195Y82.9Confident71.6Confident35 Ų3564 Ų6414%0.13735%0.348CS..SBendtrans-80.497.9177.4-170.3-94.2000112.2W66 K225 A228 K229 Y235W66-Y195 AromaticContact CD2-CD2 3.59Å; W66-Y195 HydrophobicContact CD2-CD2 3.59Å; W66-Y195 HydrophobicContact CD2-CE2 4.08Å; W66-Y195 AromaticContact CE2-CD2 3.63Å; W66-Y195 AromaticContact CE3-CD2 3.76Å; W66-Y195 HydrophobicContact CE3-CD2 3.76Å; W66-Y195 HydrophobicContact CE3-CE2 4.18Å; W66-Y195 HydrophobicContact CG-CD2 4.16Å; W66-Y195 HydrophobicContact CG-CE2 4.32Å; W66-Y195 AromaticContact CH2-CD2 3.98Å; W66-Y195 HydrophobicContact CH2-CD2 3.98Å; W66-Y195 AromaticContact CZ2-CD2 3.83Å; W66-Y195 HydrophobicContact CZ2-CD2 3.83Å; W66-Y195 HydrophobicContact CZ2-CG 4.29Å; W66-Y195 AromaticContact CZ3-CD2 3.96Å; W66-Y195 HydrophobicContact CZ3-CD2 3.96Å; Y195-K225 HydrophobicContact CE1-CG 4.05Å; Y195-K225 HydrophobicContact CE2-CD 4.23Å; Y195-K225 HydrophobicContact CE2-CG 4.23Å; Y195-A228 HydrophobicContact CD1-CB 3.92Å; Y195-K229 HydrophobicContact CE1-CG 4.29Å; Y195-K229 WeakPolarHBondContact OH-CE 3.35Å; Y195-Y235 HydrophobicContact CD1-CD1 4.19Å; Y195-Y235 HydrophobicContact CD2-CD1 4.14Å; Y195-Y235 HydrophobicContact CD2-CE1 4.13Å; Y195-Y235 AromaticContact CG-CD1 3.58Å; Y195-Y235 HydrophobicContact CG-CD1 3.58Å; Y195-Y235 HydrophobicContact CG-CE1 4.04Å; Y195-Y235 PolarHBondContact N-O 3.48Å
196A68.1Low72.7Confident62 Ų6260.8 Ų60.851%0.51233%0.325SS..SBendtrans64.1158.6-175.500000114.4L194 R198L194-A196 PolarHBondContact O-N 3.37Å; L194-A196 VanDerWaalsContact O-N 3.13Å; A196-R198 PolarHBondContact O-N 2.86Å
197A55.7Low73.7Confident70 Ų7060 Ų6058%0.57932%0.32SS*.SBendtrans-57.8124-176.900000111.5S199A197-S199 PolarHBondContact O-N 2.83Å
198R57.8Low74.8Confident165 Ų16555.9 Ų55.962%0.62329%0.294SS*.  trans-31.2118.9-174.5-178.3179.2178.6172.6-0.2113.3A196 N200A196-R198 PolarHBondContact O-N 2.86Å; R198-N200 PolarHBondContact O-N 2.92Å
199S55.8Low75.8Confident37 Ų3754.3 Ų54.326%0.25929%0.285SS..  trans-76.5105.9174178.10000109.1A197 K201 A202 N234A197-S199 PolarHBondContact O-N 2.83Å; S199-K201 PolarHBondContact O-N 3.41Å; S199-K201 PolarHBondContact OG-N 3.41Å; S199-A202 PolarHBondContact O-N 2.9Å; S199-A202 PolarHBondContact OG-N 3.5Å; S199-N234 PolarHBondContact N-OD1 2.97Å
200N58.9Low76.6Confident151 Ų15152.8 Ų52.881%0.80728%0.279SS*.THydrogen-bonded Turntrans-61.3-2.6173.6-73-4.2000114R198R198-N200 PolarHBondContact O-N 2.92Å
201K60Low77.5Confident186 Ų18648 Ų4881%0.80925%0.245SC*.THydrogen-bonded Turntrans-94.3-26.5169.8-62.8-173.4176.4-171.70113.5S199S199-K201 PolarHBondContact O-N 3.41Å; S199-K201 PolarHBondContact OG-N 3.41Å
202A65.3Low77.8Confident10 Ų1047.1 Ų47.18%0.08324%0.241CC..  trans-83.7116.5-179.500000109.3S199 G231 N234S199-A202 PolarHBondContact O-N 2.9Å; S199-A202 PolarHBondContact OG-N 3.5Å; A202-G231 WeakPolarHBondContact CB-O 3.31Å; A202-N234 PolarHBondContact O-ND2 3.19Å
203K75.2Confident77.5Confident118 Ų11850.1 Ų50.151%0.51326%0.255SS..  trans-95.1-29.8177.1-63.5179.6179.6179.90113.4E183 W205E183-K203 HydrophobicContact CB-CB 4.41Å; E183-K203 HydrophobicContact CB-CD 4.37Å; E183-K203 HydrophobicContact CG-CB 4.39Å; E183-K203 HydrophobicContact CG-CD 4.1Å; E183-K203 WeakPolarHBondContact OE1-CD 3.38Å; E183-K203 IonicContact OE1-NZ 2.82Å; E183-K203 PolarHBondContact OE1-NZ 3.1Å; E183-K203 VanDerWaalsContact OE2-CD 3.32Å; E183-K203 WeakPolarHBondContact OE2-CD 3.3Å; E183-K203 IonicContact OE2-NZ 2.64Å; E183-K203 PolarHBondContact OE2-NZ 3.3Å; K203-W205 VanDerWaalsContact O-CD1 3.22Å; K203-W205 PolarHBondContact O-NE1 3.01Å
204K85Confident77.2Confident53 Ų5350.2 Ų50.223%0.2326%0.257CS..EExtended strand (participates in β ladder)trans-81.2151.3-179.8-63.1178.3178.6-178.80110.6L178 A181 L233 N234L178-K204 HydrophobicContact CD2-CB 4.19Å; L178-K204 HydrophobicContact CD2-CD 4.39Å; L178-K204 VanDerWaalsContact O-CD 3.28Å; L178-K204 WeakPolarHBondContact O-CD 3.34Å; L178-K204 WeakPolarHBondContact O-CE 3.36Å; L178-K204 PolarHBondContact O-NZ 2.78Å; A181-K204 HydrophobicContact CB-CD 4.32Å; A181-K204 HydrophobicContact CB-CG 4.35Å; K204-L233 WeakPolarHBondContact O-CA 3.47Å; K204-N234 PolarHBondContact O-N 2.85Å; K204-N234 PolarHBondContact O-ND2 2.95Å
205W85.8Confident76.8Confident12 Ų1253.5 Ų53.55%0.04528%0.275CS..EExtended strand (participates in β ladder)trans-128.8142.9-177.6-68.179.2000110.4H164 P186 I188 L194 K203 N234 V236H164-W205 AromaticContact CE1-CD1 3.92Å; H164-W205 PolarHBondContact NE2-N 3.43Å; P186-W205 VanDerWaalsContact CD-CG 3.45Å; P186-W205 HydrophobicContact CG-CB 3.87Å; P186-W205 HydrophobicContact CG-CD2 4.41Å; P186-W205 HydrophobicContact CG-CG 4.09Å; I188-W205 HydrophobicContact CD1-CD2 4.17Å; I188-W205 HydrophobicContact CD1-CE3 3.74Å; I188-W205 HydrophobicContact CD1-CH2 3.46Å; I188-W205 VanDerWaalsContact CD1-CH2 3.46Å; I188-W205 HydrophobicContact CD1-CZ2 3.89Å; I188-W205 HydrophobicContact CD1-CZ3 3.38Å; I188-W205 HydrophobicContact CG1-CE3 4.42Å; I188-W205 HydrophobicContact CG1-CZ3 4.21Å; L194-W205 HydrophobicContact CD2-CH2 4.48Å; L194-W205 HydrophobicContact CD2-CZ3 3.89Å; K203-W205 VanDerWaalsContact O-CD1 3.22Å; K203-W205 PolarHBondContact O-NE1 3.01Å; W205-N234 WeakPolarHBondContact CA-O 3.27Å; W205-N234 HydrophobicContact CD2-CB 3.77Å; W205-N234 HydrophobicContact CE3-CB 3.54Å; W205-N234 HydrophobicContact CG-CB 4.46Å; W205-N234 HydrophobicContact CH2-CB 3.97Å; W205-N234 HydrophobicContact CZ2-CB 4.18Å; W205-N234 HydrophobicContact CZ3-CB 3.64Å; W205-V236 HydrophobicContact CE3-CG2 4.02Å; W205-V236 HydrophobicContact CZ3-CG2 4.07Å
206A89.3Confident76.7Confident0 Ų056.1 Ų56.10%029%0.291CS..EExtended strand (participates in β ladder)trans-136125.6172.700000109.4V161 D162 V163 L224 L233 N234 V236V161-A206 HydrophobicContact CG2-CB 4Å; D162-A206 WeakPolarHBondContact O-CA 3.38Å; V163-A206 HydrophobicContact CG2-CB 4.3Å; A206-L224 HydrophobicContact CB-CD2 3.98Å; A206-L233 HydrophobicContact CB-CD1 4.38Å; A206-L233 HydrophobicContact CB-CD2 4.34Å; A206-N234 PolarHBondContact N-O 3.09Å; A206-V236 PolarHBondContact O-N 3.37Å
207I91Very high77.6Confident2 Ų253.5 Ų53.51%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-109.4110.8179.6-48.2-177.2000107.9V161 D162 P186 Y209 V236 R238V161-I207 WeakPolarHBondContact CA-O 3.45Å; D162-I207 HydrophobicContact CB-CB 4.22Å; D162-I207 PolarHBondContact N-O 3.12Å; D162-I207 PolarHBondContact O-N 2.94Å; P186-I207 HydrophobicContact CB-CD1 4.19Å; P186-I207 HydrophobicContact CG-CD1 4.03Å; I207-Y209 HydrophobicContact CB-CE2 4.42Å; I207-Y209 HydrophobicContact CG2-CD2 4.23Å; I207-Y209 HydrophobicContact CG2-CE2 3.79Å; I207-V236 CarbonylContact C-O 3.56Å; I207-V236 WeakPolarHBondContact CA-O 3.38Å; I207-V236 HydrophobicContact CB-CB 4.37Å; I207-V236 HydrophobicContact CG1-CB 4.12Å; I207-V236 HydrophobicContact CG1-CG2 4.49Å; I207-V236 HydrophobicContact CG2-CB 4.18Å; I207-V236 HydrophobicContact CG2-CG1 4.06Å; I207-R238 HydrophobicContact CG2-CB 4.47Å; I207-R238 HydrophobicContact CG2-CG 3.87Å
208L92.9Very high79Confident0 Ų052.4 Ų52.40%025%0.252CS..EExtended strand (participates in β ladder)trans-86.1120.5176.6-171.270.2000109.9V159 V161 A210 F217 W220 L224 Y235 V236 F237 R238V159-L208 HydrophobicContact CG1-CD1 3.71Å; V159-L208 HydrophobicContact CG1-CG 4.43Å; V161-L208 HydrophobicContact CB-CD1 4.46Å; L208-A210 HydrophobicContact CD2-CB 4.17Å; L208-A210 HydrophobicContact CG-CB 4.11Å; L208-F217 HydrophobicContact CD2-CD2 4.05Å; L208-F217 HydrophobicContact CD2-CE2 4.24Å; L208-W220 HydrophobicContact CD1-CB 3.88Å; L208-W220 HydrophobicContact CD1-CD2 4.03Å; L208-W220 HydrophobicContact CD1-CE3 3.99Å; L208-W220 HydrophobicContact CD1-CG 4.05Å; L208-W220 HydrophobicContact CD2-CB 3.99Å; L208-L224 HydrophobicContact CB-CD1 3.86Å; L208-L224 HydrophobicContact CD1-CD1 4.01Å; L208-L224 HydrophobicContact CD2-CD1 4.25Å; L208-L224 HydrophobicContact CG-CD1 4.26Å; L208-Y235 HydrophobicContact CB-CE2 3.74Å; L208-Y235 HydrophobicContact CD2-CE2 4.38Å; L208-V236 PolarHBondContact N-O 2.78Å; L208-F237 HydrophobicContact CD2-CD2 4.34Å; L208-R238 PolarHBondContact O-N 3.4Å; L208-R238 VanDerWaalsContact O-O 3.14Å
209Y92.6Very high80.4Confident2 Ų248.1 Ų48.11%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-97113.2166.5-74.9-96.8000108.7L151 V159 F160 D162 I207 R238 L240L151-Y209 HydrophobicContact CD1-CD2 4.43Å; L151-Y209 HydrophobicContact CD1-CE1 4.2Å; L151-Y209 HydrophobicContact CD1-CE2 3.8Å; V159-Y209 CarbonylContact C-O 3.58Å; V159-Y209 WeakPolarHBondContact CA-O 3.29Å; F160-Y209 HydrophobicContact CD2-CD2 4.19Å; F160-Y209 HydrophobicContact CD2-CG 4.38Å; F160-Y209 HydrophobicContact CE1-CG 4.32Å; F160-Y209 HydrophobicContact CE2-CD1 4.46Å; F160-Y209 AromaticContact CE2-CD2 3.53Å; F160-Y209 HydrophobicContact CE2-CD2 3.53Å; F160-Y209 HydrophobicContact CE2-CE2 4.26Å; F160-Y209 AromaticContact CE2-CG 3.65Å; F160-Y209 HydrophobicContact CE2-CG 3.65Å; F160-Y209 HydrophobicContact CZ-CD1 4.08Å; F160-Y209 AromaticContact CZ-CD2 3.99Å; F160-Y209 HydrophobicContact CZ-CD2 3.99Å; F160-Y209 AromaticContact CZ-CG 3.61Å; F160-Y209 HydrophobicContact CZ-CG 3.61Å; F160-Y209 PolarHBondContact N-O 3.37Å; F160-Y209 PolarHBondContact O-N 3.31Å; F160-Y209 VanDerWaalsContact O-O 3.13Å; D162-Y209 HydrophobicContact CB-CE2 4.25Å; I207-Y209 HydrophobicContact CB-CE2 4.42Å; I207-Y209 HydrophobicContact CG2-CD2 4.23Å; I207-Y209 HydrophobicContact CG2-CE2 3.79Å; Y209-R238 WeakPolarHBondContact CA-O 3.39Å; Y209-R238 HydrophobicContact CD1-CB 3.89Å; Y209-R238 HydrophobicContact CE1-CB 3.84Å; Y209-R238 HydrophobicContact CE1-CG 4.43Å; Y209-R238 HydrophobicContact CG-CB 4.36Å; Y209-R238 VanDerWaalsContact CZ-CD 3.44Å; Y209-R238 VanDerWaalsContact OH-CD 3.29Å; Y209-R238 WeakPolarHBondContact OH-CD 3.4Å; Y209-R238 PolarHBondContact OH-NH1 2.94Å; Y209-L240 HydrophobicContact CD1-CD1 4.49Å
210A91Very high82Confident0 Ų046.7 Ų46.70%023%0.233CC..EExtended strand (participates in β ladder)trans-146.9146.4-175.600000114.6V159 L208 F217 F237 R238 L240V159-A210 HydrophobicContact CB-CB 4.37Å; V159-A210 HydrophobicContact CG1-CB 4.04Å; V159-A210 HydrophobicContact CG2-CB 3.86Å; L208-A210 HydrophobicContact CD2-CB 4.17Å; L208-A210 HydrophobicContact CG-CB 4.11Å; A210-F217 HydrophobicContact CB-CB 4.21Å; A210-F217 HydrophobicContact CB-CD2 3.67Å; A210-F217 HydrophobicContact CB-CG 4.29Å; A210-F237 HydrophobicContact CB-CE2 4.02Å; A210-R238 PolarHBondContact N-O 2.87Å; A210-L240 PolarHBondContact O-N 3.47Å
211N87.6Confident83.5Confident4 Ų439.9 Ų39.92%0.02120%0.196CC..  trans-77.6131.6162.4-171.617.1000109.6H158 E213 S214 F217 L240H158-N211 PolarHBondContact O-N 2.83Å; N211-E213 PolarHBondContact ND2-OE2 2.76Å; N211-E213 PolarHBondContact O-N 3.18Å; N211-E213 PolarHBondContact OD1-N 3.3Å; N211-S214 PolarHBondContact O-N 2.8Å; N211-F217 WeakPolarHBondContact O-CB 3.38Å; N211-L240 WeakPolarHBondContact CA-O 3.41Å; N211-L240 WeakPolarHBondContact CB-O 3.18Å
212L84.3Confident84.9Confident3 Ų335 Ų352%0.01618%0.179CC..THydrogen-bonded Turntrans-66.9-24.5177.2-67.9-168.7000113.1V50 S54 I69 L72 S214 F217 F237V50-L212 HydrophobicContact CG1-CB 4.18Å; V50-L212 HydrophobicContact CG1-CD1 4.02Å; S54-L212 WeakPolarHBondContact OG-CD1 3.41Å; I69-L212 HydrophobicContact CD1-CD1 3.78Å; I69-L212 HydrophobicContact CD1-CD2 3.51Å; I69-L212 HydrophobicContact CD1-CG 4.32Å; L72-L212 HydrophobicContact CD2-CB 4.36Å; L72-L212 HydrophobicContact CD2-CD1 4.39Å; L212-S214 VanDerWaalsContact C-N 3.27Å; L212-S214 PolarHBondContact O-N 3.22Å; L212-F217 HydrophobicContact CD2-CD1 3.98Å; L212-F217 HydrophobicContact CD2-CE1 3.51Å; L212-F217 HydrophobicContact CD2-CE2 4.12Å; L212-F217 HydrophobicContact CD2-CG 4.47Å; L212-F217 HydrophobicContact CD2-CZ 3.58Å; L212-F237 HydrophobicContact CD2-CE2 4.01Å; L212-F237 HydrophobicContact CD2-CZ 3.6Å; L212-F237 HydrophobicContact CG-CZ 4.39Å
213E76.6Confident86Confident73 Ų7336.6 Ų36.634%0.34119%0.186SC..THydrogen-bonded Turntrans-86.69.8-179.9-47.2167147.100113M107 N211M107-E213 WeakPolarHBondContact CE-OE1 3.28Å; N211-E213 PolarHBondContact ND2-OE2 2.76Å; N211-E213 PolarHBondContact O-N 3.18Å; N211-E213 PolarHBondContact OD1-N 3.3Å
214S80.3Confident86.7Confident12 Ų1231 Ų318%0.08416%0.161CC..  trans-98.9130.3177.9170.20000110.8N211 L212 D216 F217N211-S214 PolarHBondContact O-N 2.8Å; L212-S214 VanDerWaalsContact C-N 3.27Å; L212-S214 PolarHBondContact O-N 3.22Å; S214-D216 PolarHBondContact O-N 2.9Å; S214-D216 VanDerWaalsContact O-N 3.15Å; S214-D216 WeakPolarHBondContact OG-CB 3.26Å; S214-D216 PolarHBondContact OG-N 2.92Å; S214-D216 PolarHBondContact OG-OD2 3.41Å; S214-F217 VanDerWaalsContact O-CB 3.31Å; S214-F217 WeakPolarHBondContact O-CB 3.25Å; S214-F217 PolarHBondContact O-N 2.84Å
215N76.9Confident86.9Confident129 Ų12929.3 Ų29.369%0.6915%0.154SC*.Hα-helixtrans-56.1-31.3173.1-64.3-12.1000112.3F217 I218N215-F217 VanDerWaalsContact C-N 3.27Å; N215-F217 PolarHBondContact O-N 3.48Å; N215-I218 PolarHBondContact O-N 3.15Å
216D81.8Confident87.1Confident90 Ų9031 Ų3148%0.48117%0.168SC..Hα-helixtrans-67.7-26.2178.9-50.7-47.9000112.3V159 S214 I218 T219 W220V159-D216 HydrophobicContact CB-CB 4.45Å; V159-D216 HydrophobicContact CG2-CB 3.9Å; S214-D216 PolarHBondContact O-N 2.9Å; S214-D216 VanDerWaalsContact O-N 3.15Å; S214-D216 WeakPolarHBondContact OG-CB 3.26Å; S214-D216 PolarHBondContact OG-N 2.92Å; S214-D216 PolarHBondContact OG-OD2 3.41Å; D216-I218 VanDerWaalsContact C-N 3.29Å; D216-I218 PolarHBondContact O-N 3.27Å; D216-T219 PolarHBondContact O-N 2.99Å; D216-T219 PolarHBondContact O-OG1 3.12Å; D216-W220 PolarHBondContact O-N 3.08Å; D216-W220 VanDerWaalsContact O-N 3.14Å
217F86.6Confident86.9Confident7 Ų733 Ų333%0.03118%0.176CC..Hα-helixtrans-61.5-39.2176.7163.1-113.1000111.3I69 V159 L208 A210 N211 L212 S214 N215 T219 H221 F237I69-F217 HydrophobicContact CD1-CE1 4.3Å; I69-F217 HydrophobicContact CD1-CZ 4.13Å; I69-F217 HydrophobicContact CG2-CE1 4Å; I69-F217 HydrophobicContact CG2-CZ 3.74Å; V159-F217 HydrophobicContact CG2-CB 4.36Å; L208-F217 HydrophobicContact CD2-CD2 4.05Å; L208-F217 HydrophobicContact CD2-CE2 4.24Å; A210-F217 HydrophobicContact CB-CB 4.21Å; A210-F217 HydrophobicContact CB-CD2 3.67Å; A210-F217 HydrophobicContact CB-CG 4.29Å; N211-F217 WeakPolarHBondContact O-CB 3.38Å; L212-F217 HydrophobicContact CD2-CD1 3.98Å; L212-F217 HydrophobicContact CD2-CE1 3.51Å; L212-F217 HydrophobicContact CD2-CE2 4.12Å; L212-F217 HydrophobicContact CD2-CG 4.47Å; L212-F217 HydrophobicContact CD2-CZ 3.58Å; S214-F217 VanDerWaalsContact O-CB 3.31Å; S214-F217 WeakPolarHBondContact O-CB 3.25Å; S214-F217 PolarHBondContact O-N 2.84Å; N215-F217 VanDerWaalsContact C-N 3.27Å; N215-F217 PolarHBondContact O-N 3.48Å; F217-T219 VanDerWaalsContact C-N 3.34Å; F217-T219 PolarHBondContact O-N 2.91Å; F217-H221 HydrophobicContact CD2-CB 4.3Å; F217-H221 HydrophobicContact CE2-CB 3.9Å; F217-H221 HydrophobicContact CZ-CB 4.14Å; F217-H221 WeakPolarHBondContact O-CB 3.35Å; F217-H221 PolarHBondContact O-N 2.93Å; F217-F237 AromaticContact CD2-CE2 3.96Å; F217-F237 HydrophobicContact CD2-CE2 3.96Å; F217-F237 AromaticContact CE2-CD2 3.78Å; F217-F237 HydrophobicContact CE2-CD2 3.78Å; F217-F237 AromaticContact CE2-CE2 3.42Å; F217-F237 HydrophobicContact CE2-CE2 3.42Å; F217-F237 VanDerWaalsContact CE2-CE2 3.42Å; F217-F237 HydrophobicContact CE2-CZ 4.44Å; F217-F237 HydrophobicContact CZ-CE2 4.12Å
218I83.8Confident86.7Confident46 Ų4633.7 Ų33.724%0.23618%0.182CC..Hα-helixtrans-66.5-36.6-178.9-62.8177.9000111.1N215 D216 N222N215-I218 PolarHBondContact O-N 3.15Å; D216-I218 VanDerWaalsContact C-N 3.29Å; D216-I218 PolarHBondContact O-N 3.27Å; I218-N222 WeakPolarHBondContact CG2-ND2 3.15Å; I218-N222 WeakPolarHBondContact O-CB 2.95Å; I218-N222 PolarHBondContact O-N 3.1Å; I218-N222 VanDerWaalsContact O-N 3.12Å; I218-N222 PolarHBondContact O-ND2 3.43Å
219T87.7Confident86.3Confident75 Ų7540.4 Ų40.446%0.4621%0.211SC..Hα-helixtrans-70.4-49.317968.60000110.8D216 F217 N222 L223D216-T219 PolarHBondContact O-N 2.99Å; D216-T219 PolarHBondContact O-OG1 3.12Å; F217-T219 VanDerWaalsContact C-N 3.34Å; F217-T219 PolarHBondContact O-N 2.91Å; T219-N222 PolarHBondContact O-N 3.05Å; T219-L223 PolarHBondContact O-N 2.93Å
220W89.9Confident85.8Confident8 Ų847.4 Ų47.43%0.0324%0.241CC..Hα-helixtrans-61.4-44.4175.6-85.7100.7000113.1V159 V161 I171 L174 L208 D216 L223 L224V159-W220 HydrophobicContact CG1-CB 4.2Å; V159-W220 VanDerWaalsContact CG1-CD1 3.44Å; V159-W220 HydrophobicContact CG1-CD2 4.34Å; V159-W220 HydrophobicContact CG1-CG 3.76Å; V161-W220 HydrophobicContact CB-CE3 4.5Å; V161-W220 HydrophobicContact CB-CH2 4.07Å; V161-W220 HydrophobicContact CB-CZ3 3.82Å; V161-W220 HydrophobicContact CG1-CH2 3.58Å; V161-W220 HydrophobicContact CG1-CZ3 3.67Å; V161-W220 HydrophobicContact CG2-CZ3 4.48Å; I171-W220 VanDerWaalsContact CA-CZ2 3.43Å; I171-W220 HydrophobicContact CB-CH2 4.42Å; I171-W220 HydrophobicContact CB-CZ2 3.92Å; I171-W220 HydrophobicContact CD1-CD2 4.33Å; I171-W220 HydrophobicContact CD1-CG 4.38Å; I171-W220 HydrophobicContact CG1-CD2 4.16Å; I171-W220 HydrophobicContact CG1-CE3 4.37Å; I171-W220 HydrophobicContact CG1-CZ2 4.29Å; L174-W220 HydrophobicContact CB-CZ3 4.47Å; L174-W220 HydrophobicContact CD1-CZ3 4.46Å; L174-W220 HydrophobicContact CD2-CZ3 4.33Å; L208-W220 HydrophobicContact CD1-CB 3.88Å; L208-W220 HydrophobicContact CD1-CD2 4.03Å; L208-W220 HydrophobicContact CD1-CE3 3.99Å; L208-W220 HydrophobicContact CD1-CG 4.05Å; L208-W220 HydrophobicContact CD2-CB 3.99Å; D216-W220 PolarHBondContact O-N 3.08Å; D216-W220 VanDerWaalsContact O-N 3.14Å; W220-L223 PolarHBondContact O-N 3.27Å; W220-L224 HydrophobicContact CE3-CD1 4.34Å; W220-L224 PolarHBondContact O-N 2.85Å
221H90Very high85.2Confident8 Ų848.4 Ų48.44%0.03725%0.252CS..Hα-helixtrans-58.5-50.3177.1175.365.7000110.8W66 F217 L223 L224 K225 Y235W66-H221 AromaticContact CE3-CE1 3.7Å; W66-H221 AromaticContact CZ3-CE1 3.45Å; W66-H221 VanDerWaalsContact CZ3-CE1 3.45Å; W66-H221 WeakPolarHBondContact CZ3-CE1 3.4Å; W66-H221 AromaticContact CZ3-ND1 3.76Å; F217-H221 HydrophobicContact CD2-CB 4.3Å; F217-H221 HydrophobicContact CE2-CB 3.9Å; F217-H221 HydrophobicContact CZ-CB 4.14Å; F217-H221 WeakPolarHBondContact O-CB 3.35Å; F217-H221 PolarHBondContact O-N 2.93Å; H221-L223 VanDerWaalsContact C-N 3.34Å; H221-L223 PolarHBondContact O-N 3.37Å; H221-L224 PolarHBondContact O-N 2.94Å; H221-K225 VanDerWaalsContact NE2-CD 3.27Å; H221-K225 WeakPolarHBondContact NE2-CD 3.24Å; H221-K225 PolarHBondContact NE2-NZ 3.02Å; H221-K225 WeakPolarHBondContact O-CB 3.49Å; H221-K225 PolarHBondContact O-N 2.78Å; H221-Y235 AromaticContact ND1-CE1 3.71Å; H221-Y235 AromaticContact ND1-CZ 3.88Å; H221-Y235 PolarHBondContact ND1-OH 2.65Å; H221-Y235 VanDerWaalsContact ND1-OH 3.14Å
222N89Confident84.9Confident84 Ų8451.9 Ų51.945%0.44927%0.268SS..Hα-helixtrans-64.4-37.4-179.5-76.9-44.5000112.5I218 T219 S226I218-N222 WeakPolarHBondContact CG2-ND2 3.15Å; I218-N222 WeakPolarHBondContact O-CB 2.95Å; I218-N222 PolarHBondContact O-N 3.1Å; I218-N222 VanDerWaalsContact O-N 3.12Å; I218-N222 PolarHBondContact O-ND2 3.43Å; T219-N222 PolarHBondContact O-N 3.05Å; N222-S226 WeakPolarHBondContact O-CB 3.38Å; N222-S226 PolarHBondContact O-N 3.02Å
223L89.5Confident85.1Confident42 Ų4251.9 Ų51.922%0.2227%0.268CS..Hα-helixtrans-62-58174.2178.458.3000111.6I171 L174 T219 W220 H221 K225 S226 R227I171-L223 HydrophobicContact CD1-CD2 3.83Å; I171-L223 HydrophobicContact CG1-CD2 3.45Å; I171-L223 VanDerWaalsContact CG1-CD2 3.45Å; L174-L223 HydrophobicContact CD2-CD2 3.75Å; L174-L223 HydrophobicContact CD2-CG 4.08Å; T219-L223 PolarHBondContact O-N 2.93Å; W220-L223 PolarHBondContact O-N 3.27Å; H221-L223 VanDerWaalsContact C-N 3.34Å; H221-L223 PolarHBondContact O-N 3.37Å; L223-K225 VanDerWaalsContact C-N 3.31Å; L223-K225 PolarHBondContact O-N 2.97Å; L223-S226 WeakPolarHBondContact O-CB 3.46Å; L223-S226 PolarHBondContact O-N 2.8Å; L223-S226 PolarHBondContact O-OG 3.45Å; L223-R227 HydrophobicContact CD1-CG 4.41Å; L223-R227 WeakPolarHBondContact O-CG 3.31Å; L223-R227 PolarHBondContact O-N 3.12Å; L223-R227 VanDerWaalsContact O-N 3.13Å
224L90.2Very high85.6Confident0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-62.4-38.1-177.8-70.4172.3000112.1L174 A206 L208 W220 H221 S226 R227 A228 L233 Y235L174-L224 HydrophobicContact CD1-CD2 4.27Å; L174-L224 HydrophobicContact CD2-CD2 3.8Å; A206-L224 HydrophobicContact CB-CD2 3.98Å; L208-L224 HydrophobicContact CB-CD1 3.86Å; L208-L224 HydrophobicContact CD1-CD1 4.01Å; L208-L224 HydrophobicContact CD2-CD1 4.25Å; L208-L224 HydrophobicContact CG-CD1 4.26Å; W220-L224 HydrophobicContact CE3-CD1 4.34Å; W220-L224 PolarHBondContact O-N 2.85Å; H221-L224 PolarHBondContact O-N 2.94Å; L224-S226 PolarHBondContact O-N 2.72Å; L224-R227 PolarHBondContact O-N 3.3Å; L224-A228 VanDerWaalsContact O-CB 3.28Å; L224-A228 WeakPolarHBondContact O-CB 3.24Å; L224-A228 PolarHBondContact O-N 3.41Å; L224-L233 HydrophobicContact CD2-CD1 4.4Å; L224-L233 HydrophobicContact CD2-CD2 4.03Å; L224-Y235 HydrophobicContact CB-CD1 3.99Å; L224-Y235 HydrophobicContact CB-CD2 3.95Å; L224-Y235 HydrophobicContact CB-CE1 4.25Å; L224-Y235 HydrophobicContact CB-CE2 4.21Å; L224-Y235 HydrophobicContact CB-CG 3.88Å; L224-Y235 HydrophobicContact CD1-CD2 3.84Å; L224-Y235 HydrophobicContact CD1-CE2 3.8Å; L224-Y235 HydrophobicContact CG-CD2 4.46Å
225K88.8Confident86Confident19 Ų1948.4 Ų48.48%0.08325%0.251CS..Hα-helixtrans-59.2-39.9171.5175.4165.6179.6175.50113.3E70 Y195 H221 L223 K229E70-K225 VanDerWaalsContact CG-NZ 3.31Å; E70-K225 WeakPolarHBondContact OE1-CE 3.34Å; E70-K225 IonicContact OE1-NZ 3.54Å; E70-K225 PolarHBondContact OE1-NZ 3.32Å; Y195-K225 HydrophobicContact CE1-CG 4.05Å; Y195-K225 HydrophobicContact CE2-CD 4.23Å; Y195-K225 HydrophobicContact CE2-CG 4.23Å; H221-K225 VanDerWaalsContact NE2-CD 3.27Å; H221-K225 WeakPolarHBondContact NE2-CD 3.24Å; H221-K225 PolarHBondContact NE2-NZ 3.02Å; H221-K225 WeakPolarHBondContact O-CB 3.49Å; H221-K225 PolarHBondContact O-N 2.78Å; L223-K225 VanDerWaalsContact C-N 3.31Å; L223-K225 PolarHBondContact O-N 2.97Å; K225-K229 WeakPolarHBondContact O-CB 3.43Å; K225-K229 VanDerWaalsContact O-CG 3.25Å; K225-K229 WeakPolarHBondContact O-CG 3.46Å; K225-K229 PolarHBondContact O-N 2.97Å
226S88.6Confident86.7Confident48 Ų4842.3 Ų42.334%0.33622%0.218SC..Hα-helixtrans-67-43175.979.70000111.7N222 L223 L224 K229 K230N222-S226 WeakPolarHBondContact O-CB 3.38Å; N222-S226 PolarHBondContact O-N 3.02Å; L223-S226 WeakPolarHBondContact O-CB 3.46Å; L223-S226 PolarHBondContact O-N 2.8Å; L223-S226 PolarHBondContact O-OG 3.45Å; L224-S226 PolarHBondContact O-N 2.72Å; S226-K229 PolarHBondContact O-N 3.08Å; S226-K230 WeakPolarHBondContact O-CG 3.37Å; S226-K230 PolarHBondContact O-N 3.45Å; S226-K230 VanDerWaalsContact O-N 3.14Å
227R86.5Confident87.2Confident41 Ų4138 Ų3816%0.15520%0.195CC..Hα-helixtrans-66.9-43.9179-63-75.3-175.1135.713.9111.9D175 L223 L224 K230 G231 E232 L233D175-R227 IonicContact OD1-CZ 3.78Å; D175-R227 IonicContact OD1-NH1 3.64Å; D175-R227 PolarHBondContact OD1-NH1 3.19Å; D175-R227 IonicContact OD1-NH2 3.21Å; D175-R227 PolarHBondContact OD1-NH2 3.14Å; D175-R227 IonicContact OD2-CZ 3.36Å; D175-R227 IonicContact OD2-NH2 2.68Å; D175-R227 PolarHBondContact OD2-NH2 3.43Å; L223-R227 HydrophobicContact CD1-CG 4.41Å; L223-R227 WeakPolarHBondContact O-CG 3.31Å; L223-R227 PolarHBondContact O-N 3.12Å; L223-R227 VanDerWaalsContact O-N 3.13Å; L224-R227 PolarHBondContact O-N 3.3Å; R227-K230 PolarHBondContact O-N 3.08Å; R227-G231 PolarHBondContact O-N 3.11Å; R227-G231 VanDerWaalsContact O-N 3.09Å; R227-E232 WeakPolarHBondContact CD-OE2 3.39Å; R227-E232 IonicContact CZ-OE2 2.72Å; R227-E232 IonicContact NE-OE2 2.68Å; R227-E232 IonicContact NH1-OE2 2.88Å; R227-E232 PolarHBondContact NH1-OE2 3.47Å; R227-E232 PolarHBondContact O-N 3.5Å; R227-E232 VanDerWaalsContact O-N 3.1Å; R227-L233 HydrophobicContact CB-CD1 4.48Å; R227-L233 HydrophobicContact CB-CD2 3.77Å; R227-L233 HydrophobicContact CB-CG 3.95Å; R227-L233 HydrophobicContact CG-CD2 4.44Å
228A86.6Confident87.4Confident17 Ų1738.1 Ų38.114%0.1420%0.195CC..Hα-helixtrans-63.3-40.6174.300000112.3Y195 L224 K230 G231 L233Y195-A228 HydrophobicContact CD1-CB 3.92Å; L224-A228 VanDerWaalsContact O-CB 3.28Å; L224-A228 WeakPolarHBondContact O-CB 3.24Å; L224-A228 PolarHBondContact O-N 3.41Å; A228-K230 VanDerWaalsContact C-N 3.32Å; A228-K230 PolarHBondContact O-N 3.14Å; A228-G231 WeakPolarHBondContact O-CA 3.28Å; A228-G231 PolarHBondContact O-N 3.43Å; A228-L233 HydrophobicContact CB-CD1 4.19Å
229K83.7Confident87.8Confident141 Ų14136 Ų3661%0.61318%0.184SC*.Hα-helixtrans-64.1-31.8174.7-79.1178.4-178.3-176.80113.6Y195 K225 S226 G231Y195-K229 HydrophobicContact CE1-CG 4.29Å; Y195-K229 WeakPolarHBondContact OH-CE 3.35Å; K225-K229 WeakPolarHBondContact O-CB 3.43Å; K225-K229 VanDerWaalsContact O-CG 3.25Å; K225-K229 WeakPolarHBondContact O-CG 3.46Å; K225-K229 PolarHBondContact O-N 2.97Å; S226-K229 PolarHBondContact O-N 3.08Å; K229-G231 VanDerWaalsContact C-N 3.31Å
230K82.8Confident87.8Confident148 Ų14832.8 Ų32.864%0.64316%0.164SC*.Hα-helixtrans-75-20.4170.8-67.4173.4-179.2-179.10112.9S226 R227 A228 E232S226-K230 WeakPolarHBondContact O-CG 3.37Å; S226-K230 PolarHBondContact O-N 3.45Å; S226-K230 VanDerWaalsContact O-N 3.14Å; R227-K230 PolarHBondContact O-N 3.08Å; A228-K230 VanDerWaalsContact C-N 3.32Å; A228-K230 PolarHBondContact O-N 3.14Å; K230-E232 HydrophobicContact CB-CG 4.15Å; K230-E232 WeakPolarHBondContact CD-OE1 3.44Å; K230-E232 IonicContact NZ-OE1 3.31Å; K230-E232 PolarHBondContact NZ-OE1 2.87Å
231G77.7Confident87Confident21 Ų2133.2 Ų33.222%0.21617%0.168CC..THydrogen-bonded Turntrans86.919.8-178.800000114.4A202 R227 A228 K229A202-G231 WeakPolarHBondContact CB-O 3.31Å; R227-G231 PolarHBondContact O-N 3.11Å; R227-G231 VanDerWaalsContact O-N 3.09Å; A228-G231 WeakPolarHBondContact O-CA 3.28Å; A228-G231 PolarHBondContact O-N 3.43Å; K229-G231 VanDerWaalsContact C-N 3.31Å
232E82.8Confident86Confident78 Ų7839.9 Ų39.936%0.36419%0.193SC..SBendtrans-73.3-34.3179.5-65.7173.9-142.700112.2R227 K230R227-E232 WeakPolarHBondContact CD-OE2 3.39Å; R227-E232 IonicContact CZ-OE2 2.72Å; R227-E232 IonicContact NE-OE2 2.68Å; R227-E232 IonicContact NH1-OE2 2.88Å; R227-E232 PolarHBondContact NH1-OE2 3.47Å; R227-E232 PolarHBondContact O-N 3.5Å; R227-E232 VanDerWaalsContact O-N 3.1Å; K230-E232 HydrophobicContact CB-CG 4.15Å; K230-E232 WeakPolarHBondContact CD-OE1 3.44Å; K230-E232 IonicContact NZ-OE1 3.31Å; K230-E232 PolarHBondContact NZ-OE1 2.87Å
233L87Confident84.7Confident2 Ų238.9 Ų38.91%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-145.5159.6-177.959.883000111.4L178 K204 A206 L224 R227 A228L178-L233 HydrophobicContact CD1-CD2 3.8Å; L178-L233 HydrophobicContact CD2-CB 4.38Å; L178-L233 HydrophobicContact CD2-CD2 4.04Å; K204-L233 WeakPolarHBondContact O-CA 3.47Å; A206-L233 HydrophobicContact CB-CD1 4.38Å; A206-L233 HydrophobicContact CB-CD2 4.34Å; L224-L233 HydrophobicContact CD2-CD1 4.4Å; L224-L233 HydrophobicContact CD2-CD2 4.03Å; R227-L233 HydrophobicContact CB-CD1 4.48Å; R227-L233 HydrophobicContact CB-CD2 3.77Å; R227-L233 HydrophobicContact CB-CG 3.95Å; R227-L233 HydrophobicContact CG-CD2 4.44Å; A228-L233 HydrophobicContact CB-CD1 4.19Å
234N86.7Confident83.1Confident11 Ų1141.9 Ų41.96%0.05920%0.196CC..EExtended strand (participates in β ladder)trans-91.8130.3161.3-57.5-75.4000108.5S199 A202 K204 W205 A206S199-N234 PolarHBondContact N-OD1 2.97Å; A202-N234 PolarHBondContact O-ND2 3.19Å; K204-N234 PolarHBondContact O-N 2.85Å; K204-N234 PolarHBondContact O-ND2 2.95Å; W205-N234 WeakPolarHBondContact CA-O 3.27Å; W205-N234 HydrophobicContact CD2-CB 3.77Å; W205-N234 HydrophobicContact CE3-CB 3.54Å; W205-N234 HydrophobicContact CG-CB 4.46Å; W205-N234 HydrophobicContact CH2-CB 3.97Å; W205-N234 HydrophobicContact CZ2-CB 4.18Å; W205-N234 HydrophobicContact CZ3-CB 3.64Å; A206-N234 PolarHBondContact N-O 3.09Å
235Y90.3Very high81.2Confident2 Ų248.3 Ų48.31%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-106.9124.1-177.2164.8-143000109.7W66 Y195 L208 H221 L224 F237W66-Y235 AromaticContact CH2-CE1 3.73Å; W66-Y235 HydrophobicContact CH2-CE1 3.73Å; W66-Y235 AromaticContact CH2-CZ 3.78Å; W66-Y235 HydrophobicContact CZ3-CE1 4.06Å; Y195-Y235 HydrophobicContact CD1-CD1 4.19Å; Y195-Y235 HydrophobicContact CD2-CD1 4.14Å; Y195-Y235 HydrophobicContact CD2-CE1 4.13Å; Y195-Y235 AromaticContact CG-CD1 3.58Å; Y195-Y235 HydrophobicContact CG-CD1 3.58Å; Y195-Y235 HydrophobicContact CG-CE1 4.04Å; Y195-Y235 PolarHBondContact N-O 3.48Å; L208-Y235 HydrophobicContact CB-CE2 3.74Å; L208-Y235 HydrophobicContact CD2-CE2 4.38Å; H221-Y235 AromaticContact ND1-CE1 3.71Å; H221-Y235 AromaticContact ND1-CZ 3.88Å; H221-Y235 PolarHBondContact ND1-OH 2.65Å; H221-Y235 VanDerWaalsContact ND1-OH 3.14Å; L224-Y235 HydrophobicContact CB-CD1 3.99Å; L224-Y235 HydrophobicContact CB-CD2 3.95Å; L224-Y235 HydrophobicContact CB-CE1 4.25Å; L224-Y235 HydrophobicContact CB-CE2 4.21Å; L224-Y235 HydrophobicContact CB-CG 3.88Å; L224-Y235 HydrophobicContact CD1-CD2 3.84Å; L224-Y235 HydrophobicContact CD1-CE2 3.8Å; L224-Y235 HydrophobicContact CG-CD2 4.46Å; Y235-F237 HydrophobicContact CE2-CB 4.17Å
236V90Very high79.1Confident0 Ų049.6 Ų49.60%024%0.243CC..EExtended strand (participates in β ladder)trans-112.6145.5171.6-179.10000108.5D192 H193 L194 W205 A206 I207 L208D192-V236 HydrophobicContact CB-CG1 3.8Å; H193-V236 WeakPolarHBondContact O-CA 3.3Å; L194-V236 HydrophobicContact CD2-CG2 3.81Å; W205-V236 HydrophobicContact CE3-CG2 4.02Å; W205-V236 HydrophobicContact CZ3-CG2 4.07Å; A206-V236 PolarHBondContact O-N 3.37Å; I207-V236 CarbonylContact C-O 3.56Å; I207-V236 WeakPolarHBondContact CA-O 3.38Å; I207-V236 HydrophobicContact CB-CB 4.37Å; I207-V236 HydrophobicContact CG1-CB 4.12Å; I207-V236 HydrophobicContact CG1-CG2 4.49Å; I207-V236 HydrophobicContact CG2-CB 4.18Å; I207-V236 HydrophobicContact CG2-CG1 4.06Å; L208-V236 PolarHBondContact N-O 2.78Å
237F92.5Very high76.7Confident0 Ų057.3 Ų57.30%027%0.271CS..EExtended strand (participates in β ladder)trans-118.3138.9170.7169.7-81.9000111F65 W66 H193 L208 A210 L212 F217 Y235 H239F65-F237 HydrophobicContact CE1-CD1 4.2Å; F65-F237 HydrophobicContact CE2-CD1 4.48Å; F65-F237 HydrophobicContact CE2-CE1 4.38Å; F65-F237 AromaticContact CZ-CD1 3.54Å; F65-F237 HydrophobicContact CZ-CD1 3.54Å; F65-F237 AromaticContact CZ-CE1 3.72Å; F65-F237 HydrophobicContact CZ-CE1 3.72Å; F65-F237 HydrophobicContact CZ-CG 4.33Å; W66-F237 HydrophobicContact CH2-CB 3.75Å; W66-F237 HydrophobicContact CZ2-CB 4.46Å; H193-F237 HydrophobicContact CB-CB 4.29Å; H193-F237 HydrophobicContact CB-CD1 4.31Å; H193-F237 AromaticContact CD2-CD1 3.86Å; H193-F237 PolarHBondContact O-N 2.84Å; L208-F237 HydrophobicContact CD2-CD2 4.34Å; A210-F237 HydrophobicContact CB-CE2 4.02Å; L212-F237 HydrophobicContact CD2-CE2 4.01Å; L212-F237 HydrophobicContact CD2-CZ 3.6Å; L212-F237 HydrophobicContact CG-CZ 4.39Å; F217-F237 AromaticContact CD2-CE2 3.96Å; F217-F237 HydrophobicContact CD2-CE2 3.96Å; F217-F237 AromaticContact CE2-CD2 3.78Å; F217-F237 HydrophobicContact CE2-CD2 3.78Å; F217-F237 AromaticContact CE2-CE2 3.42Å; F217-F237 HydrophobicContact CE2-CE2 3.42Å; F217-F237 VanDerWaalsContact CE2-CE2 3.42Å; F217-F237 HydrophobicContact CE2-CZ 4.44Å; F217-F237 HydrophobicContact CZ-CE2 4.12Å; Y235-F237 HydrophobicContact CE2-CB 4.17Å; F237-H239 AromaticContact CE1-CD2 3.86Å; F237-H239 AromaticContact CE1-CE1 3.44Å; F237-H239 VanDerWaalsContact CE1-CE1 3.44Å; F237-H239 WeakPolarHBondContact CE1-CE1 3.31Å; F237-H239 AromaticContact CE1-CG 3.77Å; F237-H239 AromaticContact CE1-ND1 3.49Å; F237-H239 WeakPolarHBondContact CE1-ND1 3.44Å; F237-H239 AromaticContact CE1-NE2 3.66Å; F237-H239 AromaticContact CZ-CE1 3.73Å; F237-H239 AromaticContact CZ-ND1 3.52Å
238R91.7Very high74.5Confident10 Ų1062.9 Ų62.94%0.03830%0.296CS..EExtended strand (participates in β ladder)trans-131143172.8-68.9-178.6176.5154.43.1108.9Y144 P187 D192 I207 L208 Y209 A210Y144-R238 HydrophobicContact CD1-CB 3.98Å; Y144-R238 HydrophobicContact CD1-CG 4.3Å; Y144-R238 HydrophobicContact CE1-CB 4.13Å; Y144-R238 HydrophobicContact CE1-CG 4.1Å; P187-R238 PolarHBondContact O-NH2 2.62Å; D192-R238 WeakPolarHBondContact OD1-CG 3.37Å; D192-R238 IonicContact OD1-CZ 2.85Å; D192-R238 IonicContact OD1-NE 3.32Å; D192-R238 PolarHBondContact OD1-NE 2.85Å; D192-R238 IonicContact OD1-NH2 3.92Å; D192-R238 PolarHBondContact OD1-NH2 2.89Å; D192-R238 IonicContact OD2-CZ 2.62Å; D192-R238 IonicContact OD2-NE 3.93Å; D192-R238 IonicContact OD2-NH2 2.94Å; D192-R238 PolarHBondContact OD2-NH2 3.21Å; I207-R238 HydrophobicContact CG2-CB 4.47Å; I207-R238 HydrophobicContact CG2-CG 3.87Å; L208-R238 PolarHBondContact O-N 3.4Å; L208-R238 VanDerWaalsContact O-O 3.14Å; Y209-R238 WeakPolarHBondContact CA-O 3.39Å; Y209-R238 HydrophobicContact CD1-CB 3.89Å; Y209-R238 HydrophobicContact CE1-CB 3.84Å; Y209-R238 HydrophobicContact CE1-CG 4.43Å; Y209-R238 HydrophobicContact CG-CB 4.36Å; Y209-R238 VanDerWaalsContact CZ-CD 3.44Å; Y209-R238 VanDerWaalsContact OH-CD 3.29Å; Y209-R238 WeakPolarHBondContact OH-CD 3.4Å; Y209-R238 PolarHBondContact OH-NH1 2.94Å; A210-R238 PolarHBondContact N-O 2.87Å
239H91.1Very high72.2Confident1 Ų169 Ų691%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-72.7145.6-179.2-76-71.5000113V51 S54 E55 Y144 F237V51-H239 HydrophobicContact CG1-CB 4.16Å; S54-H239 PolarHBondContact OG-CE1 2.92Å; S54-H239 PolarHBondContact OG-NE2 3.3Å; E55-H239 IonicContact OE1-CD2 3.46Å; E55-H239 PolarHBondContact OE1-CD2 3.15Å; E55-H239 IonicContact OE1-NE2 3.63Å; E55-H239 PolarHBondContact OE1-NE2 2.74Å; Y144-H239 HydrophobicContact CD2-CB 4.07Å; Y144-H239 AromaticContact CE2-CD2 3.98Å; Y144-H239 HydrophobicContact CG-CB 3.96Å; F237-H239 AromaticContact CE1-CD2 3.86Å; F237-H239 AromaticContact CE1-CE1 3.44Å; F237-H239 VanDerWaalsContact CE1-CE1 3.44Å; F237-H239 WeakPolarHBondContact CE1-CE1 3.31Å; F237-H239 AromaticContact CE1-CG 3.77Å; F237-H239 AromaticContact CE1-ND1 3.49Å; F237-H239 WeakPolarHBondContact CE1-ND1 3.44Å; F237-H239 AromaticContact CE1-NE2 3.66Å; F237-H239 AromaticContact CZ-CE1 3.73Å; F237-H239 AromaticContact CZ-ND1 3.52Å
240L88.1Confident70.4Confident7 Ų763.3 Ų63.34%0.03731%0.313CS..  trans-124.974.8169.5-161.970.5000109.8S148 F160 Y209 A210 N211S148-L240 VanDerWaalsContact CB-CD1 3.43Å; F160-L240 HydrophobicContact CD1-CD2 3.88Å; F160-L240 HydrophobicContact CE1-CD1 3.85Å; F160-L240 HydrophobicContact CE1-CD2 3.66Å; F160-L240 HydrophobicContact CE1-CG 4.43Å; F160-L240 HydrophobicContact CZ-CD1 4.4Å; Y209-L240 HydrophobicContact CD1-CD1 4.49Å; A210-L240 PolarHBondContact O-N 3.47Å; N211-L240 WeakPolarHBondContact CA-O 3.41Å; N211-L240 WeakPolarHBondContact CB-O 3.18Å
241P73.7Confident69.1Low17 Ų1763.6 Ų63.611%0.1131%0.314CS..PPolyproline II helixtrans-65.8137.8-170.526.9-35.2000112.6V141 R145V141-P241 HydrophobicContact CG1-CB 3.71Å; V141-P241 HydrophobicContact CG1-CG 3.81Å; R145-P241 HydrophobicContact CB-CG 3.95Å; R145-P241 HydrophobicContact CG-CG 4.27Å
242R68.9Low68.7Low148 Ų14863.5 Ų63.556%0.55831%0.313SS*.PPolyproline II helixtrans-83.3119.4173.8-174.1177.3-172.9165.94.4110
243L61.6Low68.9Low64 Ų6463 Ų6334%0.33531%0.309SS..PPolyproline II helixtrans-73.1129176.4-65.2-177.2000111.5A45 I245A45-L243 HydrophobicContact CB-CD2 3.97Å; L243-I245 HydrophobicContact CB-CG1 4.38Å; L243-I245 PolarHBondContact O-N 3.02Å; L243-I245 VanDerWaalsContact O-N 3.12Å
244R56.5Low69Low105 Ų10562.9 Ų62.940%0.39631%0.309SS..  trans-78.286.4168.1-72.1-178.5171.1-170.2-2.7109.9D104 A246D104-R244 VanDerWaalsContact CG-NH1 3.3Å; D104-R244 IonicContact OD1-CZ 2.83Å; D104-R244 IonicContact OD1-NH1 2.61Å; D104-R244 PolarHBondContact OD1-NH1 2.89Å; D104-R244 IonicContact OD1-NH2 2.69Å; D104-R244 PolarHBondContact OD1-NH2 3.28Å; D104-R244 IonicContact OD2-NH1 2.81Å; D104-R244 PolarHBondContact OD2-NH1 3Å; D104-R244 VanDerWaalsContact OD2-NH1 3.09Å; R244-A246 VanDerWaalsContact C-N 3.35Å; R244-A246 PolarHBondContact O-N 3.22Å
245I49.5Very low69.2Low135 Ų13563.3 Ų63.369%0.69231%0.312SS*.  trans-72.889.9175.6-53.7179000109.1L243 F247L243-I245 HydrophobicContact CB-CG1 4.38Å; L243-I245 PolarHBondContact O-N 3.02Å; L243-I245 VanDerWaalsContact O-N 3.12Å; I245-F247 PolarHBondContact O-N 3.14Å
246A44Very low69.3Low46 Ų4663.2 Ų63.238%0.3831%0.312SS..  trans-71.4122.7169.200000109.7R244 K248 K251R244-A246 VanDerWaalsContact C-N 3.35Å; R244-A246 PolarHBondContact O-N 3.22Å; A246-K248 PolarHBondContact O-N 2.91Å; A246-K251 HydrophobicContact CB-CB 4.14Å; A246-K251 WeakPolarHBondContact CB-O 3.45Å
247F38.9Very low69.4Low210 Ų21063.3 Ų63.392%0.92131%0.312SS*.SBendtrans-67.917.1178.8-75.2-90000114.9I245I245-F247 PolarHBondContact O-N 3.14Å
248K40.1Very low69.2Low158 Ų15864.1 Ų64.169%0.68732%0.321SS*.SBendtrans-128.2128.9172.1-74.4-169172.7-172.40109.8A246 K251A246-K248 PolarHBondContact O-N 2.91Å; K248-K251 HydrophobicContact CB-CB 4.39Å; K248-K251 PolarHBondContact O-N 2.9Å; K248-K251 VanDerWaalsContact O-N 3.14Å
249V39.1Very low69.3Low146 Ų14663.7 Ų63.789%0.88532%0.319SS*.THydrogen-bonded Turntrans-49.5139.1175.7-177.50000110K251V249-K251 PolarHBondContact O-N 2.96Å; V249-K251 VanDerWaalsContact O-N 3.09Å
250G45.9Very low69.4Low21 Ų2164.1 Ų64.122%0.21632%0.322CS..THydrogen-bonded Turntrans77.5-29.2-177.100000116.1G252 R1153G250-G252 PolarHBondContact O-N 3.42Å; G250-R1153 PolarHBondContact O-NH2 3.35Å
251K54.3Low69.7Low154 Ų15463.8 Ų63.867%0.6732%0.32SS*.THydrogen-bonded Turntrans-75.718.9-173.6-92.4-153.7173.5-160.20116A246 K248 V249A246-K251 HydrophobicContact CB-CB 4.14Å; A246-K251 WeakPolarHBondContact CB-O 3.45Å; K248-K251 HydrophobicContact CB-CB 4.39Å; K248-K251 PolarHBondContact O-N 2.9Å; K248-K251 VanDerWaalsContact O-N 3.14Å; V249-K251 PolarHBondContact O-N 2.96Å; V249-K251 VanDerWaalsContact O-N 3.09Å
252G70.8Confident70.6Confident19 Ų1964.4 Ų64.420%0.19632%0.322CS..THydrogen-bonded Turntrans-143.523.7-175.200000116.1A45 D46 G250A45-G252 CarbonylContact C-O 3.47Å; A45-G252 WeakPolarHBondContact CA-O 3.48Å; A45-G252 WeakPolarHBondContact CB-O 3.27Å; D46-G252 PolarHBondContact N-O 3.11Å; G250-G252 PolarHBondContact O-N 3.42Å
253K86.5Confident71.8Confident67 Ų6757.4 Ų57.429%0.29130%0.295SS..EExtended strand (participates in β ladder)trans-108.2147.5174.1-72.3176.7166-169.20110.5Q41 S42 E1206Q41-K253 HydrophobicContact CB-CB 4.24Å; Q41-K253 HydrophobicContact CG-CB 4.32Å; Q41-K253 HydrophobicContact CG-CD 4.1Å; S42-K253 VanDerWaalsContact O-CD 3.24Å; S42-K253 WeakPolarHBondContact O-CD 3.4Å; S42-K253 WeakPolarHBondContact O-CG 3.31Å; K253-E1206 IonicContact NZ-OE1 2.68Å; K253-E1206 PolarHBondContact NZ-OE1 2.87Å; K253-E1206 IonicContact NZ-OE2 2.66Å; K253-E1206 PolarHBondContact NZ-OE2 3.34Å
254V88.9Confident73Confident0 Ų055.4 Ų55.40%029%0.288CS..EExtended strand (participates in β ladder)trans-67.8126.5179.5-169.30000109.2Q41 S42 T47 R135 S138 L256Q41-V254 CarbonylContact C-O 3.6Å; Q41-V254 WeakPolarHBondContact CA-O 3.03Å; S42-V254 PolarHBondContact N-O 3.28Å; S42-V254 WeakPolarHBondContact OG-CA 3.4Å; S42-V254 WeakPolarHBondContact OG-CB 3.17Å; S42-V254 WeakPolarHBondContact OG-CG2 3.28Å; S42-V254 PolarHBondContact OG-N 3.29Å; S42-V254 PolarHBondContact OG-O 3.45Å; T47-V254 HydrophobicContact CG2-CG2 4.31Å; T47-V254 WeakPolarHBondContact OG1-CG2 3.37Å; R135-V254 HydrophobicContact CB-CG1 4.17Å; R135-V254 HydrophobicContact CG-CG1 4.12Å; S138-V254 WeakPolarHBondContact OG-CG2 3.31Å; V254-L256 HydrophobicContact CG1-CD2 4.42Å
255P90.8Very high74.4Confident19 Ų1951.9 Ų51.912%0.12328%0.277CS..EExtended strand (participates in β ladder)trans-71.1129.216731.2-33.4000109.3Q1154P255-Q1154 VanDerWaalsContact CB-O 3.29Å; P255-Q1154 WeakPolarHBondContact CB-O 3.41Å; P255-Q1154 VanDerWaalsContact CG-O 3.24Å; P255-Q1154 WeakPolarHBondContact CG-O 3.35Å
256L93.1Very high75.6Confident1 Ų147.1 Ų47.11%0.00525%0.251CS..PPolyproline II helixtrans-94.3165.9-176.1-63.9-174.9000111.5V40 V254 Y259 P1155 W1178 L1207 F1297V40-L256 HydrophobicContact CB-CB 4.43Å; V40-L256 HydrophobicContact CG1-CB 4.46Å; V40-L256 HydrophobicContact CG1-CD1 4.18Å; V40-L256 PolarHBondContact O-N 2.8Å; V254-L256 HydrophobicContact CG1-CD2 4.42Å; L256-Y259 WeakPolarHBondContact O-CE1 3.47Å; L256-P1155 WeakPolarHBondContact O-CD 3.42Å; L256-P1155 WeakPolarHBondContact O-CG 3.16Å; L256-W1178 HydrophobicContact CB-CH2 3.9Å; L256-W1178 HydrophobicContact CB-CZ3 3.99Å; L256-W1178 HydrophobicContact CD1-CH2 3.99Å; L256-W1178 HydrophobicContact CD1-CZ3 3.84Å; L256-W1178 HydrophobicContact CG-CH2 4.44Å; L256-L1207 HydrophobicContact CD1-CB 3.46Å; L256-L1207 VanDerWaalsContact CD1-CB 3.46Å; L256-L1207 HydrophobicContact CD1-CD2 3.56Å; L256-L1207 HydrophobicContact CD1-CG 4.15Å; L256-F1297 HydrophobicContact CD1-CE1 4.39Å; L256-F1297 HydrophobicContact CD2-CE1 3.74Å; L256-F1297 HydrophobicContact CD2-CZ 3.5Å; L256-F1297 VanDerWaalsContact CD2-CZ 3.5Å
257S92Very high76.3Confident2 Ų248.5 Ų48.51%0.01426%0.258CS..  trans-136.9173.4-178.672.60000111.5I134 Y259 A1138 W1178I134-S257 VanDerWaalsContact CA-OG 3.23Å; I134-S257 WeakPolarHBondContact CA-OG 3.26Å; I134-S257 VanDerWaalsContact CB-OG 3.25Å; I134-S257 WeakPolarHBondContact CB-OG 2.97Å; I134-S257 PolarHBondContact O-OG 2.7Å; S257-Y259 VanDerWaalsContact C-N 3.34Å; S257-Y259 PolarHBondContact O-N 2.87Å; S257-A1138 WeakPolarHBondContact CA-O 3.46Å; S257-W1178 VanDerWaalsContact O-CH2 3.23Å; S257-W1178 WeakPolarHBondContact O-CH2 3.49Å
258G88.8Confident76.8Confident17 Ų1742.2 Ų42.218%0.17524%0.237CC..SBendtrans828.4173.900000115.3A1138G258-A1138 PolarHBondContact N-O 3.01Å
259Y93.3Very high76.9Confident0 Ų042.4 Ų42.40%024%0.24CC..  trans-9516316462.2-87.4000110.5Y39 V40 L256 S257 V261 A1138 P1155 V1172 I1173Y39-Y259 WeakPolarHBondContact CA-OH 3.32Å; V40-Y259 HydrophobicContact CB-CD1 3.87Å; V40-Y259 HydrophobicContact CB-CE1 3.64Å; V40-Y259 HydrophobicContact CB-CG 4.5Å; V40-Y259 HydrophobicContact CG2-CD1 3.6Å; V40-Y259 HydrophobicContact CG2-CD2 3.85Å; V40-Y259 HydrophobicContact CG2-CE1 3.64Å; V40-Y259 HydrophobicContact CG2-CE2 3.89Å; V40-Y259 HydrophobicContact CG2-CG 3.73Å; V40-Y259 PolarHBondContact N-OH 3.09Å; L256-Y259 WeakPolarHBondContact O-CE1 3.47Å; S257-Y259 VanDerWaalsContact C-N 3.34Å; S257-Y259 PolarHBondContact O-N 2.87Å; Y259-V261 HydrophobicContact CD2-CG2 3.91Å; Y259-V261 HydrophobicContact CE2-CG2 3.77Å; Y259-A1138 HydrophobicContact CD1-CB 4.24Å; Y259-A1138 HydrophobicContact CD2-CB 3.85Å; Y259-A1138 HydrophobicContact CE1-CB 3.82Å; Y259-A1138 HydrophobicContact CE2-CB 3.37Å; Y259-A1138 HydrophobicContact CG-CB 4.24Å; Y259-A1138 WeakPolarHBondContact O-CB 3.07Å; Y259-A1138 PolarHBondContact O-N 2.8Å; Y259-P1155 PolarHBondContact OH-O 3.35Å; Y259-V1172 HydrophobicContact CD2-CG1 4.02Å; Y259-V1172 HydrophobicContact CG-CG1 4.31Å; Y259-I1173 WeakPolarHBondContact CA-O 3.32Å
260S93.3Very high76.8Confident10 Ų1046.4 Ų46.47%0.0724%0.241CC..EExtended strand (participates in β ladder)trans-113.5155.1162.9-52.20000109.9R1136 I1173S260-R1136 CarbonylContact C-O 3.49Å; S260-R1136 WeakPolarHBondContact CA-O 3.33Å; S260-I1173 PolarHBondContact N-O 2.93Å; S260-I1173 PolarHBondContact O-N 2.91Å
261V94.7Very high76.3Confident0 Ų052.7 Ų52.70%026%0.262CS..EExtended strand (participates in β ladder)trans-113131.3168.1-174.40000108.1A38 Y259 L1135 R1136 A1157 F1159 L1170 N1171 V1172A38-V261 HydrophobicContact CB-CG1 4.1Å; A38-V261 HydrophobicContact CB-CG2 4.15Å; Y259-V261 HydrophobicContact CD2-CG2 3.91Å; Y259-V261 HydrophobicContact CE2-CG2 3.77Å; V261-L1135 WeakPolarHBondContact O-CA 3.49Å; V261-L1135 WeakPolarHBondContact O-CD1 3.17Å; V261-R1136 PolarHBondContact N-O 3.29Å; V261-R1136 PolarHBondContact O-N 3.32Å; V261-A1157 HydrophobicContact CB-CB 3.68Å; V261-A1157 HydrophobicContact CG2-CB 3.41Å; V261-A1157 VanDerWaalsContact CG2-CB 3.41Å; V261-F1159 HydrophobicContact CB-CE2 4.16Å; V261-F1159 HydrophobicContact CB-CZ 4.23Å; V261-F1159 HydrophobicContact CG1-CE2 3.78Å; V261-F1159 HydrophobicContact CG1-CZ 4.07Å; V261-L1170 HydrophobicContact CG1-CD1 3.96Å; V261-L1170 HydrophobicContact CG1-CD2 4.08Å; V261-L1170 HydrophobicContact CG1-CG 3.81Å; V261-N1171 WeakPolarHBondContact CA-O 3.15Å; V261-N1171 WeakPolarHBondContact CG1-O 3.32Å; V261-V1172 HydrophobicContact CG2-CG2 4.31Å
262E92.7Very high75.4Confident31 Ų3149.2 Ų49.215%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-102.4134.6172.6162.4165-173.200108.6A264 R1133 L1135 L1170 N1171 I1173E262-A264 HydrophobicContact CG-CB 4.17Å; E262-R1133 HydrophobicContact CG-CB 4.15Å; E262-R1133 WeakPolarHBondContact OE1-CD 3.25Å; E262-R1133 IonicContact OE1-NH1 3.53Å; E262-R1133 IonicContact OE2-CZ 3.17Å; E262-R1133 IonicContact OE2-NH1 2.65Å; E262-R1133 PolarHBondContact OE2-NH1 2.68Å; E262-L1135 HydrophobicContact CB-CD1 4.07Å; E262-L1170 WeakPolarHBondContact O-CA 3.33Å; E262-N1171 HydrophobicContact CB-CB 4.36Å; E262-N1171 PolarHBondContact N-O 2.9Å; E262-N1171 PolarHBondContact O-N 2.97Å; E262-I1173 HydrophobicContact CB-CD1 4.2Å; E262-I1173 HydrophobicContact CB-CG1 4.48Å
263L92.3Very high73.7Confident0 Ų057.9 Ų57.90%030%0.298CS..EExtended strand (participates in β ladder)trans-117.992.1166.8-171.869.1000106.6V36 R1133 F1134 F1159 L1162 F1168 L1170 I1192V36-L263 HydrophobicContact CG1-CD1 4.44Å; V36-L263 HydrophobicContact CG2-CD2 4.36Å; L263-R1133 WeakPolarHBondContact O-CA 3.21Å; L263-F1134 HydrophobicContact CB-CB 4.31Å; L263-F1134 PolarHBondContact N-O 3.43Å; L263-F1134 PolarHBondContact O-N 2.98Å; L263-F1159 HydrophobicContact CB-CD1 4.09Å; L263-F1159 HydrophobicContact CB-CD2 4.49Å; L263-F1159 HydrophobicContact CB-CE1 3.73Å; L263-F1159 HydrophobicContact CB-CE2 4.19Å; L263-F1159 HydrophobicContact CB-CG 4.45Å; L263-F1159 HydrophobicContact CB-CZ 3.79Å; L263-F1159 HydrophobicContact CD2-CB 4.22Å; L263-F1159 HydrophobicContact CD2-CD1 4.14Å; L263-F1159 HydrophobicContact CD2-CD2 4.39Å; L263-F1159 HydrophobicContact CD2-CG 4.01Å; L263-L1162 HydrophobicContact CD2-CD1 3.64Å; L263-L1162 HydrophobicContact CD2-CD2 3.84Å; L263-L1162 HydrophobicContact CD2-CG 4.42Å; L263-F1168 HydrophobicContact CD1-CB 3.61Å; L263-F1168 HydrophobicContact CD1-CG 4.33Å; L263-F1168 HydrophobicContact CD2-CB 4.43Å; L263-F1168 HydrophobicContact CD2-CD1 4.41Å; L263-F1168 HydrophobicContact CD2-CG 4.28Å; L263-F1168 HydrophobicContact CG-CB 3.84Å; L263-F1168 HydrophobicContact CG-CD1 4.21Å; L263-F1168 HydrophobicContact CG-CG 4.11Å; L263-L1170 HydrophobicContact CD1-CB 4Å; L263-L1170 HydrophobicContact CD1-CD1 4.43Å; L263-I1192 HydrophobicContact CD1-CD1 4.19Å
264A88.7Confident71.1Confident22 Ų2260.8 Ų60.818%0.18232%0.317CS..EExtended strand (participates in β ladder)trans-77.5141.2-176.900000110.5E262 R1133 F1168 T1169E262-A264 HydrophobicContact CG-CB 4.17Å; A264-R1133 HydrophobicContact CB-CB 4.4Å; A264-F1168 CarbonylContact O-C 3.53Å; A264-F1168 VanDerWaalsContact O-CA 3.23Å; A264-F1168 WeakPolarHBondContact O-CA 3.15Å; A264-T1169 PolarHBondContact N-O 3.1Å; A264-T1169 PolarHBondContact O-N 2.91Å
265I85.1Confident68.5Low32 Ų3268.2 Ų68.216%0.16436%0.356CS..EExtended strand (participates in β ladder)trans-80.8119.2173.2-65.8167.7000107.7S267 L331 P370 K1132 F1134 Q1166 F1168I265-S267 PolarHBondContact O-N 2.82Å; I265-L331 HydrophobicContact CD1-CD1 3.67Å; I265-P370 HydrophobicContact CD1-CB 3.46Å; I265-P370 VanDerWaalsContact CD1-CB 3.46Å; I265-P370 HydrophobicContact CD1-CG 3.65Å; I265-K1132 WeakPolarHBondContact CB-O 3.48Å; I265-K1132 PolarHBondContact N-O 2.87Å; I265-F1134 HydrophobicContact CD1-CE2 4.05Å; I265-F1134 HydrophobicContact CG1-CE2 4.13Å; I265-Q1166 HydrophobicContact CG2-CG 4Å; I265-F1168 HydrophobicContact CG1-CD1 4.15Å; I265-F1168 HydrophobicContact CG1-CE1 4.02Å
266K74.3Confident65.7Low35 Ų3570.5 Ų70.515%0.15238%0.377CS..  trans-73.9110175.9-158.7176.4-175.6-175.80108.4T268 Q1166 L1167 N1191 H1376 E1379K266-T268 PolarHBondContact O-N 3.3Å; K266-Q1166 PolarHBondContact O-NE2 3.43Å; K266-Q1166 VanDerWaalsContact O-NE2 3.16Å; K266-L1167 HydrophobicContact CB-CB 4.04Å; K266-L1167 PolarHBondContact N-O 2.88Å; K266-N1191 PolarHBondContact NZ-OD1 3.36Å; K266-H1376 PolarHBondContact NZ-O 3.1Å; K266-E1379 WeakPolarHBondContact CD-OE1 3.2Å; K266-E1379 WeakPolarHBondContact CE-OE1 3.35Å; K266-E1379 VanDerWaalsContact NZ-CD 3.26Å; K266-E1379 IonicContact NZ-OE1 3.9Å; K266-E1379 PolarHBondContact NZ-OE1 3.04Å; K266-E1379 IonicContact NZ-OE2 2.79Å
267S58.7Low62.8Low75 Ų7578.6 Ų78.652%0.52441%0.412SS..  trans-70.5111.1-173.745.80000111.4I265 E269I265-S267 PolarHBondContact O-N 2.82Å; S267-E269 PolarHBondContact O-N 3.44Å
268T48.7Very low59.9Low77 Ų7786.4 Ų86.447%0.47245%0.452SS..  trans-75.868.5174.255.50000110.5K266 Y270 K271K266-T268 PolarHBondContact O-N 3.3Å; T268-Y270 PolarHBondContact O-N 2.81Å; T268-K271 PolarHBondContact O-N 3Å; T268-K271 VanDerWaalsContact O-N 3.1Å
269E42.6Very low56.9Low163 Ų16395.8 Ų95.876%0.76248%0.482SS*.THydrogen-bonded Turntrans-67.519.5-169-153.4161.1-12100114.8S267S267-E269 PolarHBondContact O-N 3.44Å
270Y37Very low53.7Low230 Ų230101 Ų10190%0.90252%0.519SS*.THydrogen-bonded Turntrans-118.8-3.1174.6-65-67.3000113.9T268 A272T268-Y270 PolarHBondContact O-N 2.81Å; Y270-A272 VanDerWaalsContact C-N 3.32Å; Y270-A272 PolarHBondContact O-N 3.38Å; Y270-A272 VanDerWaalsContact O-N 3.17Å
271K36.1Very low50.5Low152 Ų152109.7 Ų109.766%0.66156%0.555SS**SBendtrans-84.472.8167.9-78.1-167.6179.7-177.60110.8T268 E330T268-K271 PolarHBondContact O-N 3Å; T268-K271 VanDerWaalsContact O-N 3.1Å; K271-E330 IonicContact NZ-OE1 2.67Å; K271-E330 PolarHBondContact NZ-OE1 2.97Å
272A34.3Very low47.3Very low81 Ų81115.8 Ų115.867%0.66960%0.595SS**  trans51.578.5158.800000118.7Y270 D274Y270-A272 VanDerWaalsContact C-N 3.32Å; Y270-A272 PolarHBondContact O-N 3.38Å; Y270-A272 VanDerWaalsContact O-N 3.17Å; A272-D274 HydrophobicContact CB-CB 4.18Å; A272-D274 PolarHBondContact O-N 3.32Å
273Q35.5Very low44.2Very low202 Ų202120.3 Ų120.394%0.94463%0.625SS**  -73.486.5129.8-87.5-171.4-24.300107.4
274D32.9Very low41.1Very low128 Ų128125.4 Ų125.468%0.68467%0.667SS**  trans-104.4107.8171.8-163.12.9000107.4A272 A276A272-D274 HydrophobicContact CB-CB 4.18Å; A272-D274 PolarHBondContact O-N 3.32Å; D274-A276 HydrophobicContact CB-CB 4.48Å; D274-A276 PolarHBondContact O-N 3.39Å
275D33.6Very low38.3Very low155 Ų155128 Ų12883%0.82970%0.695SS**  trans-71.731179.7-85.5-41.7000112.4K277D275-K277 VanDerWaalsContact C-N 3.29Å; D275-K277 PolarHBondContact O-N 2.94Å
276A32.6Very low35.5Very low68 Ų68132.7 Ų132.756%0.56273%0.726SS**  trans-70.477.8-176.100000112.1D274D274-A276 HydrophobicContact CB-CB 4.48Å; D274-A276 PolarHBondContact O-N 3.39Å
277K32Very low33.2Very low170 Ų170138.6 Ų138.674%0.73976%0.759SS**  trans71.894.5170.3-58.4162.7-177.9161.70114.7D275 R279D275-K277 VanDerWaalsContact C-N 3.29Å; D275-K277 PolarHBondContact O-N 2.94Å; K277-R279 HydrophobicContact CB-CG 4.49Å; K277-R279 PolarHBondContact O-N 3.02Å
278I30.3Very low31.8Very low167 Ų167143.4 Ų143.486%0.85678%0.778SS**  trans-5888.9146.4-56.4173.4000107.9
279R26.7Very low30.9Very low214 Ų214145.5 Ų145.581%0.80879%0.791SS**  trans-72.9146.1170.3-95.7179.9164.3170.6-6.1109.9K277K277-R279 HydrophobicContact CB-CG 4.49Å; K277-R279 PolarHBondContact O-N 3.02Å
280S26.4Very low30.4Very low110 Ų110145.2 Ų145.277%0.76979%0.794SS**  trans-51.1150.4-173.946.40000114.1
281K25Very low30Very low191 Ų191141.7 Ų141.783%0.8379%0.791SS**  trans-44.4135.9164.4-65.7175.2178.6175.10110T283K281-T283 PolarHBondContact O-N 2.8Å
282P28.5Very low29.8Very low129 Ų129137.7 Ų137.784%0.83879%0.793SS**PPolyproline II helixtrans-66.8118.5168.828-32.4000109.1
283T26.6Very low29.8Very low126 Ų126139.7 Ų139.777%0.77379%0.792SS**PPolyproline II helixtrans-67.4140.2163.4-22.50000108.1K281 G285K281-T283 PolarHBondContact O-N 2.8Å; T283-G285 PolarHBondContact O-N 2.75Å
284A28.1Very low30Very low107 Ų107138.5 Ų138.588%0.88479%0.787SS**SBendtrans-66127.6176.100000110.2
285G28.6Very low30.4Very low75 Ų75140.4 Ų140.477%0.77379%0.792SS**  trans117.666.217600000115.4T283T283-G285 PolarHBondContact O-N 2.75Å
286T26.6Very low31.2Very low131 Ų131135.9 Ų135.980%0.80477%0.766SS**  trans-148.6129.6154.8-9.70000108.9L288T286-L288 PolarHBondContact O-N 3.02Å
287N25.8Very low32.1Very low159 Ų159137.4 Ų137.485%0.8577%0.768SS**  trans-72.9125.4175.7-65.1-15.4000108.6T289N287-T289 PolarHBondContact O-N 3.15Å
288L30.9Very low33.3Very low176 Ų176133.8 Ų133.892%0.92176%0.757SS**  trans-73.9110.3168.4-72.4168.6000108.1T286T286-L288 PolarHBondContact O-N 3.02Å
289T29.2Very low34.7Very low121 Ų121127.8 Ų127.874%0.74273%0.726SS**  trans-72.5142.4161.143.40000109.5N287 D291N287-T289 PolarHBondContact O-N 3.15Å; T289-D291 PolarHBondContact O-N 3.33Å
290D30.9Very low36.2Very low157 Ų157123.8 Ų123.884%0.8472%0.721SS**  trans-52.2125.8173-156.214.9000111.3
291D28.9Very low38.2Very low157 Ų157121.8 Ų121.884%0.8472%0.717SS**  trans-163.9109.3175-114.5-31.4000108.9T289T289-D291 PolarHBondContact O-N 3.33Å
292G33.3Very low40.7Very low67 Ų67117 Ų11769%0.69170%0.696SS**  trans115.573.3172.600000116.7E294G292-E294 PolarHBondContact O-N 2.91Å
293D32.8Very low43.3Very low124 Ų124113.5 Ų113.566%0.66367%0.671SS**  trans-66.386.8150.9-94.2-71.6000108.1R305D293-R305 IonicContact OD1-CZ 3.41Å; D293-R305 IonicContact OD1-NH1 2.89Å; D293-R305 PolarHBondContact OD1-NH1 2.71Å; D293-R305 IonicContact OD1-NH2 2.93Å; D293-R305 PolarHBondContact OD1-NH2 2.9Å
294E39.4Very low45.9Very low176 Ų176107.8 Ų107.882%0.82264%0.636SS**  trans-67.1124.5151.2-74-174168.300107.2G292 E296G292-E294 PolarHBondContact O-N 2.91Å; E294-E296 PolarHBondContact O-N 3.44Å
295E42.4Very low48.3Very low169 Ų169108.2 Ų108.279%0.7961%0.614SS**  trans-61.4107.5177-65.4-173.4138.400109.5T297E295-T297 PolarHBondContact O-N 3.12Å
296E50Low50.9Low60 Ų60108.9 Ų108.928%0.2860%0.6SS.*  trans-66.580.3170.5-78.3-159117.900109.6E294 R305 K308 K322E294-E296 PolarHBondContact O-N 3.44Å; E296-R305 HydrophobicContact CB-CB 4.36Å; E296-R305 WeakPolarHBondContact OE2-CB 3.36Å; E296-K308 IonicContact OE1-NZ 3.81Å; E296-K322 IonicContact OE1-NZ 2.67Å; E296-K322 PolarHBondContact OE1-NZ 3.46Å
297T51.2Low53.6Low99 Ų99105 Ų10561%0.60757%0.573SS**  trans-59.2152.5176.251.30000112.2E295 L299E295-T297 PolarHBondContact O-N 3.12Å; T297-L299 PolarHBondContact O-N 2.86Å
298D58.4Low56.4Low95 Ų9598.7 Ų98.751%0.50854%0.538SS..  trans-64.4102180-66.5-31.3000112.2D300 N303D298-D300 PolarHBondContact O-N 3.45Å; D298-N303 WeakPolarHBondContact OD1-CA 3.17Å; D298-N303 WeakPolarHBondContact OD1-CB 3.45Å; D298-N303 PolarHBondContact OD1-ND2 3.43Å
299L59Low58.9Low41 Ų4196.5 Ų96.522%0.21553%0.527CS..BIsolated β-bridgetrans-78.6116.6176.6-72.8164.8000109.3T297 G301 F302 I304 K322 L325 L326T297-L299 PolarHBondContact O-N 2.86Å; L299-G301 PolarHBondContact O-N 2.85Å; L299-G301 VanDerWaalsContact O-N 3.12Å; L299-F302 PolarHBondContact N-O 2.83Å; L299-F302 WeakPolarHBondContact O-CB 3.27Å; L299-F302 PolarHBondContact O-N 3.42Å; L299-I304 HydrophobicContact CB-CD1 4.35Å; L299-I304 HydrophobicContact CD1-CD1 4.1Å; L299-K322 HydrophobicContact CD1-CD 4.35Å; L299-K322 HydrophobicContact CD1-CG 3.86Å; L299-L325 HydrophobicContact CB-CD1 4.24Å; L299-L326 HydrophobicContact CD1-CD2 4.16Å; L299-L326 HydrophobicContact CD1-CG 4.27Å; L299-L326 HydrophobicContact CD2-CD2 3.8Å
300D58.8Low61.6Low130 Ų13096 Ų9670%0.69552%0.519SS*.THydrogen-bonded Turntrans49.131.8-172-79-14.6000114.3D298 F302 L325D298-D300 PolarHBondContact O-N 3.45Å; D300-F302 VanDerWaalsContact C-N 3.31Å; D300-F302 HydrophobicContact CB-CD2 4.35Å; D300-L325 HydrophobicContact CB-CD2 4.24Å
301G68.8Low64.3Low67 Ų6792.3 Ų92.369%0.69150%0.497SS*.THydrogen-bonded Turntrans78.59-177.500000114.8L299L299-G301 PolarHBondContact O-N 2.85Å; L299-G301 VanDerWaalsContact O-N 3.12Å
302F76.4Confident66.9Low90 Ų9088.9 Ų88.940%0.39548%0.483SS..BIsolated β-bridgetrans-95.6113.9170.7-64.5-83.6000110.6L299 D300 I304 L307 F321 L325L299-F302 PolarHBondContact N-O 2.83Å; L299-F302 WeakPolarHBondContact O-CB 3.27Å; L299-F302 PolarHBondContact O-N 3.42Å; D300-F302 VanDerWaalsContact C-N 3.31Å; D300-F302 HydrophobicContact CB-CD2 4.35Å; F302-I304 HydrophobicContact CB-CG1 4.26Å; F302-I304 WeakPolarHBondContact O-CG1 3.15Å; F302-I304 PolarHBondContact O-N 2.6Å; F302-L307 HydrophobicContact CB-CD1 4.21Å; F302-L307 HydrophobicContact CD1-CD1 4.14Å; F302-F321 HydrophobicContact CB-CE1 4.43Å; F302-F321 HydrophobicContact CD1-CE1 4.08Å; F302-F321 AromaticContact CD2-CE1 3.96Å; F302-F321 HydrophobicContact CD2-CE1 3.96Å; F302-F321 HydrophobicContact CD2-CZ 4.07Å; F302-F321 HydrophobicContact CE1-CE1 4.29Å; F302-F321 HydrophobicContact CE1-CZ 4.31Å; F302-F321 HydrophobicContact CE2-CE1 4.2Å; F302-F321 AromaticContact CE2-CZ 3.85Å; F302-F321 HydrophobicContact CE2-CZ 3.85Å; F302-F321 AromaticContact CG-CE1 3.9Å; F302-F321 HydrophobicContact CG-CE1 3.9Å; F302-F321 HydrophobicContact CG-CZ 4.39Å; F302-F321 HydrophobicContact CZ-CE1 4.35Å; F302-F321 AromaticContact CZ-CZ 3.98Å; F302-F321 HydrophobicContact CZ-CZ 3.98Å; F302-L325 HydrophobicContact CD2-CD1 3.99Å
303N83.7Confident69.1Low57 Ų5792 Ų9231%0.30548%0.479SS..  trans-76.292.1168.9-164-80.8000110D298 R305 L306 L307D298-N303 WeakPolarHBondContact OD1-CA 3.17Å; D298-N303 WeakPolarHBondContact OD1-CB 3.45Å; D298-N303 PolarHBondContact OD1-ND2 3.43Å; N303-R305 VanDerWaalsContact C-N 3.31Å; N303-R305 PolarHBondContact O-N 3.46Å; N303-L306 HydrophobicContact CB-CB 3.97Å; N303-L306 PolarHBondContact O-N 3.25Å; N303-L306 WeakPolarHBondContact OD1-CB 3.3Å; N303-L306 PolarHBondContact OD1-N 3.13Å; N303-L307 WeakPolarHBondContact O-CG 3.39Å; N303-L307 PolarHBondContact O-N 3.27Å
304I81.3Confident71.5Confident6 Ų689 Ų893%0.03146%0.463CS..Hα-helixtrans-69.7-30.1-172-58.1-176.4000111.6L299 F302 L307 K308 K322 L325L299-I304 HydrophobicContact CB-CD1 4.35Å; L299-I304 HydrophobicContact CD1-CD1 4.1Å; F302-I304 HydrophobicContact CB-CG1 4.26Å; F302-I304 WeakPolarHBondContact O-CG1 3.15Å; F302-I304 PolarHBondContact O-N 2.6Å; I304-L307 PolarHBondContact O-N 3.12Å; I304-K308 HydrophobicContact CG2-CD 4.1Å; I304-K308 HydrophobicContact CG2-CG 4.35Å; I304-K308 WeakPolarHBondContact O-CB 3.45Å; I304-K308 VanDerWaalsContact O-CG 3.27Å; I304-K308 WeakPolarHBondContact O-CG 2.94Å; I304-K308 PolarHBondContact O-N 2.98Å; I304-K322 HydrophobicContact CD1-CB 3.55Å; I304-K322 HydrophobicContact CD1-CD 4.25Å; I304-K322 HydrophobicContact CD1-CG 3.71Å; I304-K322 HydrophobicContact CG2-CB 4.35Å; I304-K322 HydrophobicContact CG2-CD 4.45Å; I304-L325 HydrophobicContact CD1-CD1 4.27Å
305R78.6Confident73.1Confident116 Ų11687.7 Ų87.744%0.43845%0.451SS..Hα-helixtrans-58.6-49.5171.7-164.1172.2-178158.63.3110.4D293 E296 N303 K308 L309D293-R305 IonicContact OD1-CZ 3.41Å; D293-R305 IonicContact OD1-NH1 2.89Å; D293-R305 PolarHBondContact OD1-NH1 2.71Å; D293-R305 IonicContact OD1-NH2 2.93Å; D293-R305 PolarHBondContact OD1-NH2 2.9Å; E296-R305 HydrophobicContact CB-CB 4.36Å; E296-R305 WeakPolarHBondContact OE2-CB 3.36Å; N303-R305 VanDerWaalsContact C-N 3.31Å; N303-R305 PolarHBondContact O-N 3.46Å; R305-K308 PolarHBondContact O-N 3.21Å; R305-L309 VanDerWaalsContact O-CG 3.32Å; R305-L309 WeakPolarHBondContact O-CG 3.42Å; R305-L309 PolarHBondContact O-N 3.12Å
306L83.4Confident74.2Confident89 Ų8985.4 Ų85.447%0.46644%0.444SS..Hα-helixtrans-64.8-43.2176.2-178.362.5000112.6N303 K308 L309 L310N303-L306 HydrophobicContact CB-CB 3.97Å; N303-L306 PolarHBondContact O-N 3.25Å; N303-L306 WeakPolarHBondContact OD1-CB 3.3Å; N303-L306 PolarHBondContact OD1-N 3.13Å; L306-K308 VanDerWaalsContact C-N 3.32Å; L306-K308 PolarHBondContact O-N 3.29Å; L306-L309 WeakPolarHBondContact O-CB 3.19Å; L306-L309 PolarHBondContact O-N 3.31Å; L306-L309 VanDerWaalsContact O-N 3.12Å; L306-L310 HydrophobicContact CD1-CD1 4.09Å; L306-L310 HydrophobicContact CD1-CG 4.12Å; L306-L310 HydrophobicContact CD2-CD1 4.48Å; L306-L310 HydrophobicContact CG-CD1 3.87Å; L306-L310 HydrophobicContact CG-CG 4.31Å; L306-L310 WeakPolarHBondContact O-CG 3.48Å; L306-L310 PolarHBondContact O-N 3.46Å
307L82.6Confident75.3Confident48 Ų4888.7 Ų88.725%0.25146%0.458SS..Hα-helixtrans-60.9-40.7177.3-70.7170.4000112F302 N303 I304 L309 L310 H311 L318F302-L307 HydrophobicContact CB-CD1 4.21Å; F302-L307 HydrophobicContact CD1-CD1 4.14Å; N303-L307 WeakPolarHBondContact O-CG 3.39Å; N303-L307 PolarHBondContact O-N 3.27Å; I304-L307 PolarHBondContact O-N 3.12Å; L307-L309 VanDerWaalsContact C-N 3.28Å; L307-L309 PolarHBondContact O-N 2.91Å; L307-L310 PolarHBondContact O-N 2.87Å; L307-H311 PolarHBondContact O-N 3.04Å; L307-L318 VanDerWaalsContact C-CD1 3.47Å; L307-L318 HydrophobicContact CB-CD1 3.88Å; L307-L318 HydrophobicContact CB-CD2 3.87Å; L307-L318 HydrophobicContact CD1-CD2 4.13Å; L307-L318 WeakPolarHBondContact O-CD1 3.37Å
308K84.2Confident76.6Confident27 Ų2784.9 Ų84.912%0.11743%0.433CS..Hα-helixtrans-66.7-27.9175.8-72.7168.1174.4174.30113.1E296 I304 R305 L306 R315 L318 D319E296-K308 IonicContact OE1-NZ 3.81Å; I304-K308 HydrophobicContact CG2-CD 4.1Å; I304-K308 HydrophobicContact CG2-CG 4.35Å; I304-K308 WeakPolarHBondContact O-CB 3.45Å; I304-K308 VanDerWaalsContact O-CG 3.27Å; I304-K308 WeakPolarHBondContact O-CG 2.94Å; I304-K308 PolarHBondContact O-N 2.98Å; R305-K308 PolarHBondContact O-N 3.21Å; L306-K308 VanDerWaalsContact C-N 3.32Å; L306-K308 PolarHBondContact O-N 3.29Å; K308-R315 HydrophobicContact CG-CG 4.34Å; K308-L318 HydrophobicContact CG-CB 4.02Å; K308-L318 HydrophobicContact CG-CD1 4.04Å; K308-D319 VanDerWaalsContact CE-CG 3.42Å; K308-D319 WeakPolarHBondContact CE-OD1 3.35Å; K308-D319 VanDerWaalsContact CE-OD2 3.23Å; K308-D319 WeakPolarHBondContact CE-OD2 3.49Å; K308-D319 IonicContact NZ-OD1 2.67Å; K308-D319 PolarHBondContact NZ-OD1 2.91Å; K308-D319 IonicContact NZ-OD2 3.57Å; K308-D319 PolarHBondContact NZ-OD2 2.88Å
309L84.2Confident77.2Confident131 Ų13183.4 Ų83.469%0.68643%0.425SS*.Hα-helixtrans-79.5-36.9175.4-71.7166.2000112.3R305 L306 L307R305-L309 VanDerWaalsContact O-CG 3.32Å; R305-L309 WeakPolarHBondContact O-CG 3.42Å; R305-L309 PolarHBondContact O-N 3.12Å; L306-L309 WeakPolarHBondContact O-CB 3.19Å; L306-L309 PolarHBondContact O-N 3.31Å; L306-L309 VanDerWaalsContact O-N 3.12Å; L307-L309 VanDerWaalsContact C-N 3.28Å; L307-L309 PolarHBondContact O-N 2.91Å
310L86.5Confident77.5Confident109 Ų10985 Ų8557%0.57143%0.432SS*.Hα-helixtrans-76.7-34177.2-68.6173.6000112.9L306 L307L306-L310 HydrophobicContact CD1-CD1 4.09Å; L306-L310 HydrophobicContact CD1-CG 4.12Å; L306-L310 HydrophobicContact CD2-CD1 4.48Å; L306-L310 HydrophobicContact CG-CD1 3.87Å; L306-L310 HydrophobicContact CG-CG 4.31Å; L306-L310 WeakPolarHBondContact O-CG 3.48Å; L306-L310 PolarHBondContact O-N 3.46Å; L307-L310 PolarHBondContact O-N 2.87Å
311H86.1Confident78.2Confident81 Ų8182.2 Ų82.238%0.37541%0.413SS..  trans-128.867.6-176.8-68.9-70.2000111.9L307 E313 L314 R315 L318L307-H311 PolarHBondContact O-N 3.04Å; H311-E313 WeakPolarHBondContact CA-OE2 3.13Å; H311-E313 IonicContact CE1-OE1 3.75Å; H311-E313 IonicContact CG-OE1 3.47Å; H311-E313 IonicContact ND1-OE1 2.71Å; H311-E313 PolarHBondContact ND1-OE1 2.92Å; H311-E313 PolarHBondContact O-N 3.49Å; H311-L314 HydrophobicContact CB-CB 3.97Å; H311-L314 HydrophobicContact CB-CD1 3.87Å; H311-L314 HydrophobicContact CB-CG 3.97Å; H311-L314 PolarHBondContact O-N 3.32Å; H311-R315 PolarHBondContact O-N 3.15Å; H311-L318 HydrophobicContact CB-CD1 4.43Å
312P84Confident78.4Confident84 Ų8481.5 Ų81.555%0.54539%0.391SS..G310 helixtrans-59.3-28178.125.7-35.2000112.9L314 R315P312-L314 PolarHBondContact O-N 2.73Å; P312-R315 WeakPolarHBondContact O-CB 3.49Å; P312-R315 PolarHBondContact O-N 3.07Å
313E80.2Confident77.9Confident132 Ų13279.5 Ų79.562%0.61739%0.385SS*.G310 helixtrans-69.5-14.3173.676.1-68.8167.400114.3H311H311-E313 WeakPolarHBondContact CA-OE2 3.13Å; H311-E313 IonicContact CE1-OE1 3.75Å; H311-E313 IonicContact CG-OE1 3.47Å; H311-E313 IonicContact ND1-OE1 2.71Å; H311-E313 PolarHBondContact ND1-OE1 2.92Å; H311-E313 PolarHBondContact O-N 3.49Å
314L82Confident77.1Confident62 Ų6281.2 Ų81.233%0.32539%0.391SS..G310 helixtrans-106.13.8176.1-57.2-177.5000113H311 P312 D316 K317 L318H311-L314 HydrophobicContact CB-CB 3.97Å; H311-L314 HydrophobicContact CB-CD1 3.87Å; H311-L314 HydrophobicContact CB-CG 3.97Å; H311-L314 PolarHBondContact O-N 3.32Å; P312-L314 PolarHBondContact O-N 2.73Å; L314-D316 PolarHBondContact O-N 2.85Å; L314-K317 HydrophobicContact CD2-CD 4.24Å; L314-K317 CarbonylContact O-C 3.55Å; L314-K317 WeakPolarHBondContact O-CA 3.37Å; L314-K317 WeakPolarHBondContact O-CB 3.18Å; L314-K317 PolarHBondContact O-N 3.49Å; L314-L318 HydrophobicContact CB-CD1 4.12Å; L314-L318 HydrophobicContact CB-CG 4.22Å; L314-L318 WeakPolarHBondContact O-CG 3.37Å; L314-L318 PolarHBondContact O-N 3.19Å
315R74.4Confident76.5Confident148 Ų14882 Ų8256%0.55840%0.395SS*.Hα-helixtrans-47.5-52.5-173.2-173.4172.5-176.8148.80.2113.5K308 H311 P312 K317 L318 D319K308-R315 HydrophobicContact CG-CG 4.34Å; H311-R315 PolarHBondContact O-N 3.15Å; P312-R315 WeakPolarHBondContact O-CB 3.49Å; P312-R315 PolarHBondContact O-N 3.07Å; R315-K317 VanDerWaalsContact C-N 3.27Å; R315-K317 PolarHBondContact O-N 2.98Å; R315-L318 CarbonylContact O-C 3.6Å; R315-L318 WeakPolarHBondContact O-CB 3.48Å; R315-L318 PolarHBondContact O-N 3.21Å; R315-D319 PolarHBondContact O-N 3.08Å
316D64.1Low75.9Confident121 Ų12180.4 Ų80.465%0.64740%0.395SS*.Hα-helixtrans-55.9-39.8177.6-55.2-10000112.7L314 D319 E320L314-D316 PolarHBondContact O-N 2.85Å; D316-D319 PolarHBondContact O-N 2.84Å; D316-E320 PolarHBondContact O-N 3.27Å
317K73.4Confident74.9Confident130 Ų13076.5 Ų76.557%0.56537%0.374SS*.Hα-helixtrans-76.1-28.9178.7-64.9-177179.4178.90112.4L314 R315 D319 E320 F321L314-K317 HydrophobicContact CD2-CD 4.24Å; L314-K317 CarbonylContact O-C 3.55Å; L314-K317 WeakPolarHBondContact O-CA 3.37Å; L314-K317 WeakPolarHBondContact O-CB 3.18Å; L314-K317 PolarHBondContact O-N 3.49Å; R315-K317 VanDerWaalsContact C-N 3.27Å; R315-K317 PolarHBondContact O-N 2.98Å; K317-D319 VanDerWaalsContact C-N 3.35Å; K317-E320 PolarHBondContact O-N 2.77Å; K317-F321 WeakPolarHBondContact O-CB 3.26Å; K317-F321 PolarHBondContact O-N 2.81Å
318L78.1Confident74Confident19 Ų1975.9 Ų75.910%0.09938%0.376CS..Hα-helixtrans-75-28.9174.2-69.3168.7000111.2L307 K308 H311 L314 R315 K322L307-L318 VanDerWaalsContact C-CD1 3.47Å; L307-L318 HydrophobicContact CB-CD1 3.88Å; L307-L318 HydrophobicContact CB-CD2 3.87Å; L307-L318 HydrophobicContact CD1-CD2 4.13Å; L307-L318 WeakPolarHBondContact O-CD1 3.37Å; K308-L318 HydrophobicContact CG-CB 4.02Å; K308-L318 HydrophobicContact CG-CD1 4.04Å; H311-L318 HydrophobicContact CB-CD1 4.43Å; L314-L318 HydrophobicContact CB-CD1 4.12Å; L314-L318 HydrophobicContact CB-CG 4.22Å; L314-L318 WeakPolarHBondContact O-CG 3.37Å; L314-L318 PolarHBondContact O-N 3.19Å; R315-L318 CarbonylContact O-C 3.6Å; R315-L318 WeakPolarHBondContact O-CB 3.48Å; R315-L318 PolarHBondContact O-N 3.21Å; L318-K322 WeakPolarHBondContact O-CB 3.5Å; L318-K322 PolarHBondContact O-N 3.24Å
319D70.6Confident73Confident63 Ų6377.8 Ų77.834%0.33739%0.387SS..Hα-helixtrans-73.1-41.2166.4-78.4-58.7000112K308 R315 D316 K317 F321 K322 L323K308-D319 VanDerWaalsContact CE-CG 3.42Å; K308-D319 WeakPolarHBondContact CE-OD1 3.35Å; K308-D319 VanDerWaalsContact CE-OD2 3.23Å; K308-D319 WeakPolarHBondContact CE-OD2 3.49Å; K308-D319 IonicContact NZ-OD1 2.67Å; K308-D319 PolarHBondContact NZ-OD1 2.91Å; K308-D319 IonicContact NZ-OD2 3.57Å; K308-D319 PolarHBondContact NZ-OD2 2.88Å; R315-D319 PolarHBondContact O-N 3.08Å; D316-D319 PolarHBondContact O-N 2.84Å; K317-D319 VanDerWaalsContact C-N 3.35Å; D319-F321 VanDerWaalsContact C-N 3.31Å; D319-F321 PolarHBondContact O-N 2.76Å; D319-K322 PolarHBondContact O-N 2.87Å; D319-L323 PolarHBondContact O-N 2.87Å
320E65.6Low72.3Confident75 Ų7575.2 Ų75.235%0.3537%0.372SS..Hα-helixtrans-59-40.9169.8-167.5174.6-156.900111.2D316 K317 L323 H324 R349 I375D316-E320 PolarHBondContact O-N 3.27Å; K317-E320 PolarHBondContact O-N 2.77Å; E320-L323 PolarHBondContact O-N 2.64Å; E320-H324 PolarHBondContact O-N 3.22Å; E320-R349 IonicContact OE1-NH1 3.15Å; E320-R349 PolarHBondContact OE1-NH1 2.94Å; E320-R349 IonicContact OE1-NH2 3.84Å; E320-I375 HydrophobicContact CG-CG2 4.21Å; E320-I375 WeakPolarHBondContact OE1-CG2 3.05Å
321F73.8Confident71.6Confident71 Ų7171.6 Ų71.631%0.31135%0.353SS..Hα-helixtrans-69.9-40.6176.2-175.5-114.8000113F302 K317 D319 L323 H324 L325F302-F321 HydrophobicContact CB-CE1 4.43Å; F302-F321 HydrophobicContact CD1-CE1 4.08Å; F302-F321 AromaticContact CD2-CE1 3.96Å; F302-F321 HydrophobicContact CD2-CE1 3.96Å; F302-F321 HydrophobicContact CD2-CZ 4.07Å; F302-F321 HydrophobicContact CE1-CE1 4.29Å; F302-F321 HydrophobicContact CE1-CZ 4.31Å; F302-F321 HydrophobicContact CE2-CE1 4.2Å; F302-F321 AromaticContact CE2-CZ 3.85Å; F302-F321 HydrophobicContact CE2-CZ 3.85Å; F302-F321 AromaticContact CG-CE1 3.9Å; F302-F321 HydrophobicContact CG-CE1 3.9Å; F302-F321 HydrophobicContact CG-CZ 4.39Å; F302-F321 HydrophobicContact CZ-CE1 4.35Å; F302-F321 AromaticContact CZ-CZ 3.98Å; F302-F321 HydrophobicContact CZ-CZ 3.98Å; K317-F321 WeakPolarHBondContact O-CB 3.26Å; K317-F321 PolarHBondContact O-N 2.81Å; D319-F321 VanDerWaalsContact C-N 3.31Å; D319-F321 PolarHBondContact O-N 2.76Å; F321-L323 VanDerWaalsContact C-N 3.27Å; F321-L323 PolarHBondContact O-N 2.87Å; F321-H324 PolarHBondContact O-N 3.4Å; F321-L325 HydrophobicContact CD1-CD1 4.11Å; F321-L325 HydrophobicContact CE1-CD1 3.68Å; F321-L325 HydrophobicContact CE1-CG 4.32Å; F321-L325 HydrophobicContact CE2-CD2 4.4Å; F321-L325 HydrophobicContact CE2-CG 4.41Å; F321-L325 HydrophobicContact CZ-CD1 3.96Å; F321-L325 HydrophobicContact CZ-CD2 4.21Å; F321-L325 HydrophobicContact CZ-CG 4.21Å; F321-L325 WeakPolarHBondContact O-CG 3.25Å; F321-L325 PolarHBondContact O-N 3.24Å
322K73.4Confident70.7Confident52 Ų5269.9 Ų69.923%0.22635%0.353CS..Hα-helixtrans-55.6-45.4171.9-176.7170.3-174.7-1760111E296 L299 I304 L318 D319 L325 L326E296-K322 IonicContact OE1-NZ 2.67Å; E296-K322 PolarHBondContact OE1-NZ 3.46Å; L299-K322 HydrophobicContact CD1-CD 4.35Å; L299-K322 HydrophobicContact CD1-CG 3.86Å; I304-K322 HydrophobicContact CD1-CB 3.55Å; I304-K322 HydrophobicContact CD1-CD 4.25Å; I304-K322 HydrophobicContact CD1-CG 3.71Å; I304-K322 HydrophobicContact CG2-CB 4.35Å; I304-K322 HydrophobicContact CG2-CD 4.45Å; L318-K322 WeakPolarHBondContact O-CB 3.5Å; L318-K322 PolarHBondContact O-N 3.24Å; D319-K322 PolarHBondContact O-N 2.87Å; K322-L325 PolarHBondContact O-N 3.14Å; K322-L326 HydrophobicContact CG-CD1 4.14Å; K322-L326 WeakPolarHBondContact O-CG 3.44Å; K322-L326 PolarHBondContact O-N 2.78Å; K322-L326 VanDerWaalsContact O-N 3.12Å
323L65.3Low69.8Low49 Ų4971.8 Ų71.826%0.25737%0.365SS..Hα-helixtrans-66.4-43.8-179.6-122.6155.9000111.6D319 E320 F321 L325 L326 E327 S374D319-L323 PolarHBondContact O-N 2.87Å; E320-L323 PolarHBondContact O-N 2.64Å; F321-L323 VanDerWaalsContact C-N 3.27Å; F321-L323 PolarHBondContact O-N 2.87Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L323-L325 PolarHBondContact O-N 3.44Å; L323-L326 PolarHBondContact O-N 3.35Å; L323-E327 HydrophobicContact CD2-CG 4Å; L323-E327 WeakPolarHBondContact CD2-OE2 3.32Å; L323-E327 WeakPolarHBondContact O-CG 3.41Å; L323-E327 PolarHBondContact O-N 2.72Å; L323-S374 WeakPolarHBondContact CD2-OG 3.5Å
324H68.2Low69.3Low93 Ų9367.1 Ų67.143%0.43134%0.344SS..Hα-helixtrans-58.8-39.4173.5178.3-68.8000113.1E320 F321 A328E320-H324 PolarHBondContact O-N 3.22Å; F321-H324 PolarHBondContact O-N 3.4Å; H324-A328 PolarHBondContact O-N 3.33Å
325L68.3Low68.7Low22 Ų2269.9 Ų69.912%0.11535%0.353CS..Hα-helixtrans-67.1-40.2175.8-69.5176.6000112L299 D300 F302 I304 F321 K322 L323L299-L325 HydrophobicContact CB-CD1 4.24Å; D300-L325 HydrophobicContact CB-CD2 4.24Å; F302-L325 HydrophobicContact CD2-CD1 3.99Å; I304-L325 HydrophobicContact CD1-CD1 4.27Å; F321-L325 HydrophobicContact CD1-CD1 4.11Å; F321-L325 HydrophobicContact CE1-CD1 3.68Å; F321-L325 HydrophobicContact CE1-CG 4.32Å; F321-L325 HydrophobicContact CE2-CD2 4.4Å; F321-L325 HydrophobicContact CE2-CG 4.41Å; F321-L325 HydrophobicContact CZ-CD1 3.96Å; F321-L325 HydrophobicContact CZ-CD2 4.21Å; F321-L325 HydrophobicContact CZ-CG 4.21Å; F321-L325 WeakPolarHBondContact O-CG 3.25Å; F321-L325 PolarHBondContact O-N 3.24Å; K322-L325 PolarHBondContact O-N 3.14Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L323-L325 PolarHBondContact O-N 3.44Å
326L65.5Low68.4Low83 Ų8367.1 Ų67.144%0.43535%0.353SS..Hα-helixtrans-67.1-44.4177-69166.4000112.2L299 K322 L323 A328 D329L299-L326 HydrophobicContact CD1-CD2 4.16Å; L299-L326 HydrophobicContact CD1-CG 4.27Å; L299-L326 HydrophobicContact CD2-CD2 3.8Å; K322-L326 HydrophobicContact CG-CD1 4.14Å; K322-L326 WeakPolarHBondContact O-CG 3.44Å; K322-L326 PolarHBondContact O-N 2.78Å; K322-L326 VanDerWaalsContact O-N 3.12Å; L323-L326 PolarHBondContact O-N 3.35Å; L326-A328 PolarHBondContact O-N 3.02Å; L326-D329 PolarHBondContact O-N 3.45Å
327E61.9Low68.6Low6 Ų669.7 Ų69.73%0.02835%0.353CS..Hα-helixtrans-73.1-12.5-178.3-69.2-174.7123.700113.8L323 D329 A332 S374L323-E327 HydrophobicContact CD2-CG 4Å; L323-E327 WeakPolarHBondContact CD2-OE2 3.32Å; L323-E327 WeakPolarHBondContact O-CG 3.41Å; L323-E327 PolarHBondContact O-N 2.72Å; E327-D329 PolarHBondContact O-N 3.36Å; E327-A332 HydrophobicContact CG-CB 4.42Å; E327-S374 WeakPolarHBondContact OE1-CB 3.46Å
328A64Low68.4Low36 Ų3665.9 Ų65.930%0.29834%0.338SS..THydrogen-bonded Turntrans-66.6-20.6172.200000113.3H324 L326 P1163H324-A328 PolarHBondContact O-N 3.33Å; L326-A328 PolarHBondContact O-N 3.02Å; A328-P1163 WeakPolarHBondContact O-CA 3.43Å
329D64.4Low68.3Low67 Ų6765.3 Ų65.336%0.35834%0.335SS..THydrogen-bonded Turntrans-112.9-46.5-170.9-155.938.6000112.8L326 E327 Q1164 K1165L326-D329 PolarHBondContact O-N 3.45Å; E327-D329 PolarHBondContact O-N 3.36Å; D329-Q1164 PolarHBondContact O-N 2.85Å; D329-Q1164 VanDerWaalsContact O-N 3.13Å; D329-K1165 PolarHBondContact O-N 3.1Å; D329-K1165 VanDerWaalsContact O-N 3.15Å; D329-K1165 WeakPolarHBondContact OD2-CE 3.24Å; D329-K1165 IonicContact OD2-NZ 3.09Å; D329-K1165 PolarHBondContact OD2-NZ 2.96Å
330E69.1Low68.6Low76 Ų7666.1 Ų66.136%0.35534%0.336SS..SBendtrans-143.9141172.1-162.9166.6167.300110.8K271 K1165K271-E330 IonicContact NZ-OE1 2.67Å; K271-E330 PolarHBondContact NZ-OE1 2.97Å; E330-K1165 HydrophobicContact CB-CD 4.27Å; E330-K1165 HydrophobicContact CG-CB 4.48Å; E330-K1165 WeakPolarHBondContact OE2-CD 3.17Å
331L72.2Confident69Low34 Ų3464.4 Ų64.418%0.17833%0.33CS..  trans-73.5128.1-178.2-67.6173.5000111.4I265 P370 L371 P1163I265-L331 HydrophobicContact CD1-CD1 3.67Å; L331-P370 HydrophobicContact CD1-CB 4.33Å; L331-L371 HydrophobicContact CD2-CD2 3.89Å; L331-L371 HydrophobicContact CD2-CG 4.46Å; L331-P1163 HydrophobicContact CD1-CG 4.36Å; L331-P1163 HydrophobicContact CD2-CG 3.72Å; L331-P1163 HydrophobicContact CG-CB 4.4Å; L331-P1163 HydrophobicContact CG-CG 3.8Å
332A65.5Low69.4Low45 Ų4561 Ų6137%0.37232%0.315SS..  trans-71.5130.9-177.100000112.4E327 L334E327-A332 HydrophobicContact CG-CB 4.42Å; A332-L334 PolarHBondContact O-N 3.35Å
333P66.5Low70Confident124 Ų12458.5 Ų58.581%0.80530%0.304SS*.  trans-74.2115.9-179.328.3-33.8000112.2
334L68.6Low70.8Confident33 Ų3357.4 Ų57.417%0.17330%0.297CS..  trans-81.3141.4177.6-67.7173.8000112.7A332 L339 A373A332-L334 PolarHBondContact O-N 3.35Å; L334-L339 HydrophobicContact CB-CD2 4.04Å; L334-L339 HydrophobicContact CD1-CD2 3.95Å; L334-A373 HydrophobicContact CD1-CB 3.66Å
335K69.6Low71.4Confident120 Ų12054.9 Ų54.952%0.52229%0.286SS..  trans-88.2144.4179.5-56.1-178.3-175.4178.40110.4W337 Q338K335-W337 HydrophobicContact CB-CD2 4.17Å; K335-W337 HydrophobicContact CB-CE3 4.09Å; K335-W337 HydrophobicContact CB-CH2 4.03Å; K335-W337 HydrophobicContact CB-CZ2 4.07Å; K335-W337 HydrophobicContact CB-CZ3 4.02Å; K335-W337 HydrophobicContact CD-CH2 3.51Å; K335-W337 HydrophobicContact CD-CZ2 3.62Å; K335-W337 HydrophobicContact CD-CZ3 4.25Å; K335-W337 HydrophobicContact CG-CH2 4.34Å; K335-W337 HydrophobicContact CG-CZ2 4.46Å; K335-W337 PolarHBondContact O-N 3.07Å; K335-Q338 HydrophobicContact CB-CG 4.46Å; K335-Q338 VanDerWaalsContact O-CB 3.3Å; K335-Q338 WeakPolarHBondContact O-CB 3.47Å; K335-Q338 PolarHBondContact O-N 3.3Å
336V69.1Low72.3Confident90 Ų9053.9 Ų53.955%0.54528%0.28SS..THydrogen-bonded Turntrans-52-34.1-169.4-176.50000114.4L339V336-L339 PolarHBondContact O-N 2.88Å
337W67.9Low73.3Confident175 Ų17550 Ų5066%0.66326%0.261SS*.THydrogen-bonded Turntrans-73.1-23.6177.866.183.6000114.3K335 L339K335-W337 HydrophobicContact CB-CD2 4.17Å; K335-W337 HydrophobicContact CB-CE3 4.09Å; K335-W337 HydrophobicContact CB-CH2 4.03Å; K335-W337 HydrophobicContact CB-CZ2 4.07Å; K335-W337 HydrophobicContact CB-CZ3 4.02Å; K335-W337 HydrophobicContact CD-CH2 3.51Å; K335-W337 HydrophobicContact CD-CZ2 3.62Å; K335-W337 HydrophobicContact CD-CZ3 4.25Å; K335-W337 HydrophobicContact CG-CH2 4.34Å; K335-W337 HydrophobicContact CG-CZ2 4.46Å; K335-W337 PolarHBondContact O-N 3.07Å; W337-L339 VanDerWaalsContact C-N 3.28Å
338Q69.6Low74.2Confident51 Ų5151.8 Ų51.824%0.23827%0.269CS..THydrogen-bonded Turntrans-73-22.7176.9-61.4175.8-61.300111.8K335 N377K335-Q338 HydrophobicContact CB-CG 4.46Å; K335-Q338 VanDerWaalsContact O-CB 3.3Å; K335-Q338 WeakPolarHBondContact O-CB 3.47Å; K335-Q338 PolarHBondContact O-N 3.3Å; Q338-N377 WeakPolarHBondContact CB-OD1 3.33Å; Q338-N377 PolarHBondContact NE2-ND2 3.31Å; Q338-N377 VanDerWaalsContact NE2-ND2 3.15Å
339L75.5Confident75.2Confident6 Ų654.7 Ų54.73%0.03127%0.272CS..THydrogen-bonded Turntrans-76.9-22.1178.9-55.8177.3000113.2L334 V336 W337 D341 L342 L1126 I1129L334-L339 HydrophobicContact CB-CD2 4.04Å; L334-L339 HydrophobicContact CD1-CD2 3.95Å; V336-L339 PolarHBondContact O-N 2.88Å; W337-L339 VanDerWaalsContact C-N 3.28Å; L339-D341 PolarHBondContact O-N 3.22Å; L339-L342 HydrophobicContact CD2-CD2 4.41Å; L339-L342 WeakPolarHBondContact O-CB 3.39Å; L339-L342 PolarHBondContact O-N 3.47Å; L339-L1126 HydrophobicContact CB-CB 4.27Å; L339-L1126 WeakPolarHBondContact O-CB 3.48Å; L339-I1129 HydrophobicContact CD1-CG1 4.3Å; L339-I1129 HydrophobicContact CD2-CG1 4.16Å
340Q75.8Confident76.3Confident80 Ų8051.5 Ų51.537%0.37426%0.255SS..THydrogen-bonded Turntrans-63.6-37.1-162.4-68-172.512.900115.2K1125Q340-K1125 WeakPolarHBondContact O-CA 3.43Å; Q340-K1125 PolarHBondContact O-N 2.96Å
341D75.4Confident77Confident39 Ų3950.3 Ų50.321%0.20925%0.251CS..THydrogen-bonded Turntrans-1075.9-176.1-67.4-37.4000111.9L339 S343 F344 Q345 R396L339-D341 PolarHBondContact O-N 3.22Å; D341-S343 PolarHBondContact O-N 2.8Å; D341-F344 WeakPolarHBondContact O-CB 3.44Å; D341-F344 PolarHBondContact O-N 2.87Å; D341-F344 VanDerWaalsContact O-N 3.07Å; D341-Q345 PolarHBondContact O-N 3.24Å; D341-R396 IonicContact OD2-CZ 3.68Å; D341-R396 IonicContact OD2-NE 4Å; D341-R396 PolarHBondContact OD2-NE 3.48Å; D341-R396 IonicContact OD2-NH2 2.67Å; D341-R396 PolarHBondContact OD2-NH2 3.49Å
342L82.7Confident77.5Confident0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-64.3-39.9-166.9-160.479.6000114.3L339 F344 Q345 A346 F369 L376 N377 L1094 L1126L339-L342 HydrophobicContact CD2-CD2 4.41Å; L339-L342 WeakPolarHBondContact O-CB 3.39Å; L339-L342 PolarHBondContact O-N 3.47Å; L342-F344 PolarHBondContact O-N 2.74Å; L342-Q345 PolarHBondContact O-N 2.53Å; L342-A346 PolarHBondContact O-N 2.83Å; L342-F369 HydrophobicContact CD2-CE2 3.73Å; L342-F369 HydrophobicContact CD2-CZ 3.51Å; L342-L376 HydrophobicContact CD1-CB 4.02Å; L342-N377 HydrophobicContact CD1-CB 4.13Å; L342-L1094 HydrophobicContact CB-CD1 4.31Å; L342-L1094 HydrophobicContact CD2-CD1 4.04Å; L342-L1094 HydrophobicContact CG-CD1 4.11Å; L342-L1126 HydrophobicContact CB-CD1 4.32Å
343S85Confident78.4Confident0 Ų053.9 Ų53.90%027%0.266CS..Hα-helixtrans-60.7-34.2174.1-72.80000112.2D341 G347 D1092 C1122D341-S343 PolarHBondContact O-N 2.8Å; S343-G347 PolarHBondContact O-N 3.35Å; S343-D1092 WeakPolarHBondContact CB-OD1 3.19Å; S343-D1092 WeakPolarHBondContact CB-OD2 3.46Å; S343-D1092 PolarHBondContact OG-OD1 2.88Å; S343-D1092 VanDerWaalsContact OG-OD1 3.12Å; S343-D1092 PolarHBondContact OG-OD2 3.21Å; S343-C1122 PolarHBondContact O-SG 3.44Å
344F82.1Confident79.3Confident26 Ų2650.8 Ų50.811%0.11425%0.251CS..Hα-helixtrans-74.9-34.2176.5-63-79.5000112.1D341 L342 G347 Q348 W395 C1122 P1124D341-F344 WeakPolarHBondContact O-CB 3.44Å; D341-F344 PolarHBondContact O-N 2.87Å; D341-F344 VanDerWaalsContact O-N 3.07Å; L342-F344 PolarHBondContact O-N 2.74Å; F344-G347 PolarHBondContact O-N 3.02Å; F344-Q348 WeakPolarHBondContact O-CB 3.41Å; F344-Q348 PolarHBondContact O-N 3.34Å; F344-W395 HydrophobicContact CB-CH2 3.56Å; F344-W395 HydrophobicContact CB-CZ3 4.03Å; F344-C1122 HydrophobicContact CD1-CB 3.5Å; F344-C1122 VanDerWaalsContact CD1-CB 3.5Å; F344-C1122 HydrophobicContact CD2-CB 4.47Å; F344-C1122 HydrophobicContact CE1-CB 3.69Å; F344-C1122 HydrophobicContact CG-CB 3.92Å; F344-C1122 HydrophobicContact CZ-CB 4.27Å; F344-P1124 HydrophobicContact CE2-CB 3.87Å; F344-P1124 HydrophobicContact CZ-CB 4.17Å
345Q81.8Confident80Confident40 Ų4055 Ų5519%0.18727%0.268CS..Hα-helixtrans-63.3-45172.5-70.4172.5-41.700111.2D341 L342 Q348 R349 L376D341-Q345 PolarHBondContact O-N 3.24Å; L342-Q345 PolarHBondContact O-N 2.53Å; Q345-Q348 PolarHBondContact O-N 3.27Å; Q345-R349 PolarHBondContact O-N 2.65Å; Q345-L376 PolarHBondContact OE1-O 3.06Å
346A87.1Confident80.7Confident0 Ų058.3 Ų58.30%029%0.286CS..Hα-helixtrans-60.1-46.7173.900000111.7L342 Q348 R349 I350 L376 P1093 L1094L342-A346 PolarHBondContact O-N 2.83Å; A346-Q348 PolarHBondContact O-N 3.24Å; A346-R349 PolarHBondContact O-N 3.41Å; A346-I350 WeakPolarHBondContact O-CD1 3.41Å; A346-I350 WeakPolarHBondContact O-CG1 3.47Å; A346-I350 PolarHBondContact O-N 2.93Å; A346-L376 HydrophobicContact CB-CD1 3.99Å; A346-L376 HydrophobicContact CB-CD2 4.33Å; A346-P1093 HydrophobicContact CB-CB 4.03Å; A346-P1093 HydrophobicContact CB-CG 4.44Å; A346-L1094 HydrophobicContact CB-CD1 4.43Å; A346-L1094 HydrophobicContact CB-CD2 3.78Å; A346-L1094 HydrophobicContact CB-CG 4.08Å
347G86.3Confident81.6Confident2 Ų258.2 Ų58.22%0.02128%0.282CS..Hα-helixtrans-58.3-46174.800000112.7S343 F344 R349 I350 L351S343-G347 PolarHBondContact O-N 3.35Å; F344-G347 PolarHBondContact O-N 3.02Å; G347-R349 PolarHBondContact O-N 2.83Å; G347-I350 PolarHBondContact O-N 3.31Å; G347-L351 WeakPolarHBondContact O-CG 3.47Å; G347-L351 PolarHBondContact O-N 2.93Å
348Q80.8Confident82.7Confident44 Ų4449.9 Ų49.921%0.20625%0.251CS..Hα-helixtrans-61.3-41.8177.4-172.2-177.94.500112.2F344 Q345 A346 I350 L351 L352 W395F344-Q348 WeakPolarHBondContact O-CB 3.41Å; F344-Q348 PolarHBondContact O-N 3.34Å; Q345-Q348 PolarHBondContact O-N 3.27Å; A346-Q348 PolarHBondContact O-N 3.24Å; Q348-I350 PolarHBondContact O-N 3.12Å; Q348-L351 PolarHBondContact O-N 2.73Å; Q348-L352 HydrophobicContact CG-CD1 3.83Å; Q348-L352 HydrophobicContact CG-CG 4.27Å; Q348-L352 WeakPolarHBondContact O-CB 3.33Å; Q348-L352 WeakPolarHBondContact O-CG 3.4Å; Q348-L352 PolarHBondContact O-N 2.79Å; Q348-W395 VanDerWaalsContact OE1-CZ2 3.29Å
349R84.2Confident83.7Confident96 Ų9648.6 Ų48.636%0.36225%0.245SC..Hα-helixtrans-63.2-29.5177.9-169163.8174.9139.1-6.4112.1E320 Q345 A346 G347 A353 T361 L365 C379E320-R349 IonicContact OE1-NH1 3.15Å; E320-R349 PolarHBondContact OE1-NH1 2.94Å; E320-R349 IonicContact OE1-NH2 3.84Å; Q345-R349 PolarHBondContact O-N 2.65Å; A346-R349 PolarHBondContact O-N 3.41Å; G347-R349 PolarHBondContact O-N 2.83Å; R349-A353 PolarHBondContact O-N 2.85Å; R349-T361 HydrophobicContact CG-CG2 4.48Å; R349-L365 HydrophobicContact CB-CD1 4.2Å; R349-L365 HydrophobicContact CG-CD1 4.34Å; R349-C379 PolarHBondContact NH1-SG 2.82Å
350I86.9Confident84.5Confident0 Ų053.8 Ų53.80%027%0.269CS..Hα-helixtrans-78.9-43.7174.6-64158.1000111.7A346 G347 Q348 L352 A353 V358 T361 L362 L365 P1093 L1118 M1120A346-I350 WeakPolarHBondContact O-CD1 3.41Å; A346-I350 WeakPolarHBondContact O-CG1 3.47Å; A346-I350 PolarHBondContact O-N 2.93Å; G347-I350 PolarHBondContact O-N 3.31Å; Q348-I350 PolarHBondContact O-N 3.12Å; I350-L352 PolarHBondContact O-N 3.1Å; I350-A353 WeakPolarHBondContact O-CB 3.44Å; I350-A353 PolarHBondContact O-N 2.84Å; I350-V358 HydrophobicContact CG2-CG1 4.04Å; I350-T361 HydrophobicContact CG1-CG2 4.06Å; I350-L362 HydrophobicContact CD1-CB 4.19Å; I350-L362 HydrophobicContact CD1-CD1 3.68Å; I350-L362 HydrophobicContact CG1-CB 4.47Å; I350-L362 HydrophobicContact CG2-CB 4.48Å; I350-L365 HydrophobicContact CD1-CD1 4.1Å; I350-L365 HydrophobicContact CG1-CD1 3.86Å; I350-P1093 HydrophobicContact CD1-CB 3.68Å; I350-P1093 HydrophobicContact CD1-CG 3.48Å; I350-P1093 VanDerWaalsContact CD1-CG 3.48Å; I350-L1118 HydrophobicContact CG2-CD2 4.01Å; I350-M1120 HydrophobicContact CB-SD 4.42Å; I350-M1120 HydrophobicContact CD1-SD 4.27Å; I350-M1120 HydrophobicContact CG2-CE 4.29Å; I350-M1120 HydrophobicContact CG2-SD 4.42Å
351L83.8Confident85.2Confident52 Ų5251 Ų5127%0.27226%0.257SS..Hα-helixtrans-64.4-27177.8-66176.3000112.9G347 Q348 V1073 M1120G347-L351 WeakPolarHBondContact O-CG 3.47Å; G347-L351 PolarHBondContact O-N 2.93Å; Q348-L351 PolarHBondContact O-N 2.73Å; L351-V1073 HydrophobicContact CD2-CG2 3.77Å; L351-M1120 HydrophobicContact CD1-CG 4.1Å; L351-M1120 HydrophobicContact CD2-CG 3.85Å; L351-M1120 HydrophobicContact CG-CG 3.88Å
352L83.2Confident86.1Confident129 Ų12949.1 Ų49.168%0.67525%0.248SC*.THydrogen-bonded Turntrans-90.8-3.2176.5-66177.9000114.2Q348 I350Q348-L352 HydrophobicContact CG-CD1 3.83Å; Q348-L352 HydrophobicContact CG-CG 4.27Å; Q348-L352 WeakPolarHBondContact O-CB 3.33Å; Q348-L352 WeakPolarHBondContact O-CG 3.4Å; Q348-L352 PolarHBondContact O-N 2.79Å; I350-L352 PolarHBondContact O-N 3.1Å
353A85.1Confident86.5Confident24 Ų2451 Ų5120%0.19826%0.256CS..SBendtrans-71.1153.4178.400000111.9R349 I350 V358 T361R349-A353 PolarHBondContact O-N 2.85Å; I350-A353 WeakPolarHBondContact O-CB 3.44Å; I350-A353 PolarHBondContact O-N 2.84Å; A353-V358 HydrophobicContact CB-CG2 3.97Å; A353-T361 HydrophobicContact CB-CG2 4.47Å
354A85.7Confident86.8Confident59 Ų5954.6 Ų54.649%0.48827%0.273SS..  trans-64140.8171.300000109.9E356 D357 V358A354-E356 PolarHBondContact O-N 3.34Å; A354-D357 WeakPolarHBondContact O-CA 3.31Å; A354-D357 PolarHBondContact O-N 2.72Å; A354-V358 WeakPolarHBondContact O-CG2 3.43Å; A354-V358 PolarHBondContact O-N 2.96Å; A354-V358 VanDerWaalsContact O-N 3.15Å
355K82.5Confident87.2Confident122 Ų12253.5 Ų53.553%0.5327%0.269SS..THydrogen-bonded Turntrans-57.2-23.9-168.4-72.1-162.7169-146.60115.6D1074K355-D1074 PolarHBondContact NZ-O 3.39Å
356E84.1Confident87.7Confident189 Ų18951.6 Ų51.688%0.88326%0.26SS*.THydrogen-bonded Turntrans-80.3-28.9177.8-62.1-179.3-155.900111.7A354A354-E356 PolarHBondContact O-N 3.34Å
357D88.2Confident87.9Confident89 Ų8951.9 Ų51.948%0.47626%0.261SS..THydrogen-bonded Turntrans-94.4-14.4-177.1-57-49.6000113.8A354 L359 H360 T361A354-D357 WeakPolarHBondContact O-CA 3.31Å; A354-D357 PolarHBondContact O-N 2.72Å; D357-L359 VanDerWaalsContact C-N 3.27Å; D357-L359 PolarHBondContact O-N 2.82Å; D357-L359 VanDerWaalsContact O-N 3.1Å; D357-H360 CarbonylContact O-C 3.58Å; D357-H360 WeakPolarHBondContact O-CA 3.47Å; D357-H360 VanDerWaalsContact O-CB 3.29Å; D357-H360 WeakPolarHBondContact O-CB 3.11Å; D357-H360 PolarHBondContact O-N 2.85Å; D357-T361 PolarHBondContact O-N 2.96Å; D357-T361 PolarHBondContact O-OG1 3.3Å
358V90.7Very high88.1Confident0 Ų053.2 Ų53.20%027%0.268CS..Hα-helixtrans-48-43.1-175.5166.10000113.7I350 A353 A354 L362 V1073 I1075 L1118I350-V358 HydrophobicContact CG2-CG1 4.04Å; A353-V358 HydrophobicContact CB-CG2 3.97Å; A354-V358 WeakPolarHBondContact O-CG2 3.43Å; A354-V358 PolarHBondContact O-N 2.96Å; A354-V358 VanDerWaalsContact O-N 3.15Å; V358-L362 WeakPolarHBondContact O-CB 3.1Å; V358-L362 PolarHBondContact O-N 3.13Å; V358-V1073 HydrophobicContact CG1-CG1 4.36Å; V358-V1073 HydrophobicContact CG2-CG1 4.08Å; V358-I1075 HydrophobicContact CB-CD1 4.16Å; V358-I1075 HydrophobicContact CG1-CD1 4.04Å; V358-L1118 HydrophobicContact CG1-CD2 3.73Å
359L91.5Very high88.5Confident23 Ų2351.1 Ų51.112%0.1226%0.258CS..Hα-helixtrans-72.7-33.1177.2-64.5178.8000112.5D357 Q363 I1075 L1105 I1116D357-L359 VanDerWaalsContact C-N 3.27Å; D357-L359 PolarHBondContact O-N 2.82Å; D357-L359 VanDerWaalsContact O-N 3.1Å; L359-Q363 VanDerWaalsContact O-CB 3.29Å; L359-Q363 WeakPolarHBondContact O-CB 3.49Å; L359-Q363 PolarHBondContact O-N 2.85Å; L359-I1075 HydrophobicContact CD1-CD1 4.03Å; L359-I1075 HydrophobicContact CD2-CD1 3.94Å; L359-I1075 HydrophobicContact CG-CD1 3.59Å; L359-L1105 HydrophobicContact CD1-CB 4.43Å; L359-L1105 HydrophobicContact CD2-CB 3.92Å; L359-L1105 HydrophobicContact CD2-CD1 4.14Å; L359-I1116 HydrophobicContact CD1-CD1 4.33Å
360H91.7Very high88.6Confident116 Ų11647.1 Ų47.154%0.53724%0.244SC..Hα-helixtrans-65.7-48.8172.5-174.5-78.1000110.5D357 L362 Q363 E364D357-H360 CarbonylContact O-C 3.58Å; D357-H360 WeakPolarHBondContact O-CA 3.47Å; D357-H360 VanDerWaalsContact O-CB 3.29Å; D357-H360 WeakPolarHBondContact O-CB 3.11Å; D357-H360 PolarHBondContact O-N 2.85Å; H360-L362 VanDerWaalsContact C-N 3.34Å; H360-L362 PolarHBondContact O-N 2.95Å; H360-Q363 PolarHBondContact O-N 2.88Å; H360-Q363 VanDerWaalsContact O-N 3.11Å; H360-E364 IonicContact CE1-OE2 3.59Å; H360-E364 IonicContact ND1-OE2 3.44Å; H360-E364 VanDerWaalsContact O-CB 3.29Å; H360-E364 WeakPolarHBondContact O-CB 3.39Å; H360-E364 PolarHBondContact O-N 3.08Å
361T91.3Very high88.3Confident21 Ų2148.4 Ų48.413%0.12925%0.251CS..Hα-helixtrans-60.2-41.8177.5-49.90000111.8R349 I350 A353 D357 L365R349-T361 HydrophobicContact CG-CG2 4.48Å; I350-T361 HydrophobicContact CG1-CG2 4.06Å; A353-T361 HydrophobicContact CB-CG2 4.47Å; D357-T361 PolarHBondContact O-N 2.96Å; D357-T361 PolarHBondContact O-OG1 3.3Å; T361-L365 HydrophobicContact CG2-CD1 3.96Å; T361-L365 HydrophobicContact CG2-CG 4.44Å; T361-L365 WeakPolarHBondContact O-CB 3.15Å; T361-L365 VanDerWaalsContact O-CG 3.3Å; T361-L365 WeakPolarHBondContact O-CG 3.27Å; T361-L365 PolarHBondContact O-N 2.92Å
362L93.2Very high88.3Confident0 Ų047.3 Ų47.30%025%0.245CC..Hα-helixtrans-62.8-44.2172.7175.971.4000111.7I350 V358 H360 S366 V1091 P1093 L1105 L1118I350-L362 HydrophobicContact CD1-CB 4.19Å; I350-L362 HydrophobicContact CD1-CD1 3.68Å; I350-L362 HydrophobicContact CG1-CB 4.47Å; I350-L362 HydrophobicContact CG2-CB 4.48Å; V358-L362 WeakPolarHBondContact O-CB 3.1Å; V358-L362 PolarHBondContact O-N 3.13Å; H360-L362 VanDerWaalsContact C-N 3.34Å; H360-L362 PolarHBondContact O-N 2.95Å; L362-S366 VanDerWaalsContact O-CB 3.29Å; L362-S366 WeakPolarHBondContact O-CB 3.49Å; L362-S366 PolarHBondContact O-N 2.79Å; L362-S366 PolarHBondContact O-OG 2.7Å; L362-V1091 HydrophobicContact CD1-CG2 4.26Å; L362-P1093 HydrophobicContact CD1-CB 4.25Å; L362-P1093 HydrophobicContact CD1-CG 4.42Å; L362-L1105 HydrophobicContact CD2-CD1 4.49Å; L362-L1118 HydrophobicContact CD2-CD1 3.88Å; L362-L1118 HydrophobicContact CD2-CD2 3.96Å
363Q92.1Very high88.2Confident40 Ų4041.4 Ų41.419%0.18721%0.214CC..Hα-helixtrans-65.9-45.4179.6-169.1-174.8-22.400111.3L359 H360 S366 Q367 H1103L359-Q363 VanDerWaalsContact O-CB 3.29Å; L359-Q363 WeakPolarHBondContact O-CB 3.49Å; L359-Q363 PolarHBondContact O-N 2.85Å; H360-Q363 PolarHBondContact O-N 2.88Å; H360-Q363 VanDerWaalsContact O-N 3.11Å; Q363-S366 PolarHBondContact O-N 2.82Å; Q363-S366 PolarHBondContact O-OG 2.74Å; Q363-Q367 VanDerWaalsContact CG-CD 3.49Å; Q363-Q367 HydrophobicContact CG-CG 4.07Å; Q363-Q367 WeakPolarHBondContact O-CB 3.41Å; Q363-Q367 WeakPolarHBondContact O-CG 3.32Å; Q363-Q367 PolarHBondContact O-N 2.98Å; Q363-H1103 PolarHBondContact NE2-ND1 3.07Å
364E90.1Very high87.5Confident74 Ų7440.9 Ų40.935%0.34621%0.209SC..Hα-helixtrans-60.9-52.5177.9-179.2170.4-15700111.8H360 S366 N368 M372H360-E364 IonicContact CE1-OE2 3.59Å; H360-E364 IonicContact ND1-OE2 3.44Å; H360-E364 VanDerWaalsContact O-CB 3.29Å; H360-E364 WeakPolarHBondContact O-CB 3.39Å; H360-E364 PolarHBondContact O-N 3.08Å; E364-S366 PolarHBondContact O-N 2.89Å; E364-N368 WeakPolarHBondContact O-CA 3.47Å; E364-N368 VanDerWaalsContact O-CB 3.28Å; E364-N368 WeakPolarHBondContact O-CB 3.4Å; E364-N368 PolarHBondContact O-N 2.92Å; E364-M372 HydrophobicContact CG-CE 3.91Å
365L90.6Very high86.9Confident4 Ų439 Ų392%0.02119%0.191CC..Hα-helixtrans-64.2-37180-70.1175.3000112.7R349 I350 T361 F369 M372 L376R349-L365 HydrophobicContact CB-CD1 4.2Å; R349-L365 HydrophobicContact CG-CD1 4.34Å; I350-L365 HydrophobicContact CD1-CD1 4.1Å; I350-L365 HydrophobicContact CG1-CD1 3.86Å; T361-L365 HydrophobicContact CG2-CD1 3.96Å; T361-L365 HydrophobicContact CG2-CG 4.44Å; T361-L365 WeakPolarHBondContact O-CB 3.15Å; T361-L365 VanDerWaalsContact O-CG 3.3Å; T361-L365 WeakPolarHBondContact O-CG 3.27Å; T361-L365 PolarHBondContact O-N 2.92Å; L365-F369 VanDerWaalsContact O-CA 3.27Å; L365-F369 WeakPolarHBondContact O-CA 3.23Å; L365-F369 VanDerWaalsContact O-CB 3.24Å; L365-F369 WeakPolarHBondContact O-CB 3.32Å; L365-F369 PolarHBondContact O-N 3.35Å; L365-M372 HydrophobicContact CD2-CB 4.02Å; L365-M372 HydrophobicContact CD2-CG 4.15Å; L365-M372 HydrophobicContact CD2-SD 4.4Å; L365-L376 HydrophobicContact CD2-CD1 4.31Å; L365-L376 HydrophobicContact CD2-CD2 4.07Å; L365-L376 HydrophobicContact CD2-CG 4.32Å
366S92.8Very high86.6Confident0 Ų033.3 Ų33.30%017%0.166CC..Hα-helixtrans-79.2-39.8179.260.30000113.1L362 Q363 E364 P1093 Q1099 S1102L362-S366 VanDerWaalsContact O-CB 3.29Å; L362-S366 WeakPolarHBondContact O-CB 3.49Å; L362-S366 PolarHBondContact O-N 2.79Å; L362-S366 PolarHBondContact O-OG 2.7Å; Q363-S366 PolarHBondContact O-N 2.82Å; Q363-S366 PolarHBondContact O-OG 2.74Å; E364-S366 PolarHBondContact O-N 2.89Å; S366-P1093 WeakPolarHBondContact CB-O 3.4Å; S366-Q1099 WeakPolarHBondContact O-CG 3.12Å; S366-Q1099 PolarHBondContact O-NE2 3.42Å; S366-S1102 PolarHBondContact OG-OG 3.37Å
367Q91.1Very high85.7Confident5 Ų526.1 Ų26.12%0.02313%0.134CC..Hα-helixtrans-87.7-22.5-174.9-66-169.5-13.100114.2Q363 Q1099 F1134 L1135 R1136Q363-Q367 VanDerWaalsContact CG-CD 3.49Å; Q363-Q367 HydrophobicContact CG-CG 4.07Å; Q363-Q367 WeakPolarHBondContact O-CB 3.41Å; Q363-Q367 WeakPolarHBondContact O-CG 3.32Å; Q363-Q367 PolarHBondContact O-N 2.98Å; Q367-Q1099 PolarHBondContact NE2-O 3.23Å; Q367-F1134 WeakPolarHBondContact O-CA 3.41Å; Q367-L1135 WeakPolarHBondContact CB-O 3.44Å; Q367-L1135 PolarHBondContact O-N 3.01Å; Q367-R1136 PolarHBondContact O-NH1 3.27Å
368N90.1Very high84.2Confident31 Ų3124.4 Ų24.417%0.16614%0.137CC..SBendtrans-111.913.3176.4-57.6-30.8000113.3E364 P370 L371 M372 R1136E364-N368 WeakPolarHBondContact O-CA 3.47Å; E364-N368 VanDerWaalsContact O-CB 3.28Å; E364-N368 WeakPolarHBondContact O-CB 3.4Å; E364-N368 PolarHBondContact O-N 2.92Å; N368-P370 VanDerWaalsContact C-N 3.32Å; N368-P370 WeakPolarHBondContact O-CD 2.98Å; N368-L371 PolarHBondContact O-N 2.9Å; N368-M372 HydrophobicContact CB-CE 4.34Å; N368-M372 HydrophobicContact CB-CG 4.38Å; N368-R1136 VanDerWaalsContact OD1-CZ 3.24Å; N368-R1136 PolarHBondContact OD1-NH1 2.91Å; N368-R1136 PolarHBondContact OD1-NH2 3.27Å
369F89.7Confident82.4Confident0 Ų026.7 Ų26.70%015%0.153CC..Hα-helixtrans-41.4-44.7-170.7174.9-101.5000116.3L342 L365 L371 M372 A373 L376 L1094 I1129 P1130 L1131L342-F369 HydrophobicContact CD2-CE2 3.73Å; L342-F369 HydrophobicContact CD2-CZ 3.51Å; L365-F369 VanDerWaalsContact O-CA 3.27Å; L365-F369 WeakPolarHBondContact O-CA 3.23Å; L365-F369 VanDerWaalsContact O-CB 3.24Å; L365-F369 WeakPolarHBondContact O-CB 3.32Å; L365-F369 PolarHBondContact O-N 3.35Å; F369-L371 PolarHBondContact O-N 2.71Å; F369-M372 CarbonylContact O-C 3.53Å; F369-M372 WeakPolarHBondContact O-CA 3.34Å; F369-M372 PolarHBondContact O-N 3.47Å; F369-A373 HydrophobicContact CE1-CB 4.13Å; F369-A373 HydrophobicContact CE2-CB 4Å; F369-A373 HydrophobicContact CZ-CB 3.74Å; F369-A373 PolarHBondContact O-N 2.97Å; F369-L376 HydrophobicContact CE2-CD1 4.26Å; F369-L1094 HydrophobicContact CD2-CD1 4.35Å; F369-L1094 HydrophobicContact CD2-CD2 3.36Å; F369-L1094 HydrophobicContact CD2-CG 4.41Å; F369-L1094 HydrophobicContact CE2-CD1 3.64Å; F369-L1094 HydrophobicContact CE2-CD2 3.53Å; F369-L1094 HydrophobicContact CE2-CG 4.18Å; F369-L1094 HydrophobicContact CG-CD2 4.26Å; F369-L1094 HydrophobicContact CZ-CD1 4.12Å; F369-I1129 HydrophobicContact CE1-CG2 3.75Å; F369-P1130 HydrophobicContact CE1-CG 3.88Å; F369-P1130 HydrophobicContact CZ-CG 3.78Å; F369-L1131 HydrophobicContact CB-CB 4.26Å; F369-L1131 HydrophobicContact CB-CD1 3.97Å; F369-L1131 HydrophobicContact CD1-CB 3.65Å; F369-L1131 HydrophobicContact CD1-CD1 4.49Å; F369-L1131 HydrophobicContact CD1-CG 4.49Å; F369-L1131 WeakPolarHBondContact CD1-O 3.43Å; F369-L1131 HydrophobicContact CE1-CB 4.37Å; F369-L1131 HydrophobicContact CG-CB 4.2Å; F369-L1131 HydrophobicContact CG-CD1 4.24Å
370P85.6Confident80.4Confident12 Ų1234.1 Ų34.18%0.07819%0.187CC..Hα-helixtrans-60.5-28.5-178.1-23.534.2000114.7I265 L331 N368 F1134I265-P370 HydrophobicContact CD1-CB 3.46Å; I265-P370 VanDerWaalsContact CD1-CB 3.46Å; I265-P370 HydrophobicContact CD1-CG 3.65Å; L331-P370 HydrophobicContact CD1-CB 4.33Å; N368-P370 VanDerWaalsContact C-N 3.32Å; N368-P370 WeakPolarHBondContact O-CD 2.98Å; P370-F1134 HydrophobicContact CB-CE1 4.18Å; P370-F1134 HydrophobicContact CB-CE2 4.24Å; P370-F1134 HydrophobicContact CB-CZ 3.75Å; P370-F1134 HydrophobicContact CG-CE1 4.15Å; P370-F1134 HydrophobicContact CG-CE2 4.18Å; P370-F1134 HydrophobicContact CG-CZ 3.97Å
371L82.2Confident78.3Confident26 Ų2630.5 Ų30.514%0.13618%0.177CC..Hα-helixtrans-84.2-11.6173.1-74.5166.8000113.5L331 N368 F369 F1134 I1161 P1163L331-L371 HydrophobicContact CD2-CD2 3.89Å; L331-L371 HydrophobicContact CD2-CG 4.46Å; N368-L371 PolarHBondContact O-N 2.9Å; F369-L371 PolarHBondContact O-N 2.71Å; L371-F1134 HydrophobicContact CB-CE1 4.43Å; L371-F1134 HydrophobicContact CD1-CE1 3.69Å; L371-F1134 HydrophobicContact CD1-CZ 4.11Å; L371-F1134 HydrophobicContact CG-CE1 3.81Å; L371-F1134 HydrophobicContact CG-CZ 3.95Å; L371-I1161 VanDerWaalsContact CD1-O 3.29Å; L371-I1161 WeakPolarHBondContact CD1-O 3.31Å; L371-P1163 HydrophobicContact CD2-CG 3.95Å
372M82.3Confident75.9Confident29 Ų2939.2 Ų39.214%0.14321%0.207CC..Hα-helixtrans-104.7-13.5-176.1-61.5-70.7163.900112E364 L365 N368 F369 S374 I375 L376E364-M372 HydrophobicContact CG-CE 3.91Å; L365-M372 HydrophobicContact CD2-CB 4.02Å; L365-M372 HydrophobicContact CD2-CG 4.15Å; L365-M372 HydrophobicContact CD2-SD 4.4Å; N368-M372 HydrophobicContact CB-CE 4.34Å; N368-M372 HydrophobicContact CB-CG 4.38Å; F369-M372 CarbonylContact O-C 3.53Å; F369-M372 WeakPolarHBondContact O-CA 3.34Å; F369-M372 PolarHBondContact O-N 3.47Å; M372-S374 PolarHBondContact O-N 3.07Å; M372-I375 PolarHBondContact O-N 3.04Å; M372-I375 HydrophobicContact SD-CD1 4.43Å; M372-L376 WeakPolarHBondContact O-CB 3.37Å; M372-L376 VanDerWaalsContact O-CG 3.29Å; M372-L376 WeakPolarHBondContact O-CG 2.95Å; M372-L376 PolarHBondContact O-N 3Å
373A80.7Confident73.4Confident5 Ų542.3 Ų42.34%0.04122%0.223CC..Hα-helixtrans-64.8-39.3-169.700000113.2L334 F369L334-A373 HydrophobicContact CD1-CB 3.66Å; F369-A373 HydrophobicContact CE1-CB 4.13Å; F369-A373 HydrophobicContact CE2-CB 4Å; F369-A373 HydrophobicContact CZ-CB 3.74Å; F369-A373 PolarHBondContact O-N 2.97Å
374S71.4Confident70.9Confident13 Ų1345.9 Ų45.99%0.09125%0.25CS..Hα-helixtrans-78-39.9176.5-157.10000112.2L323 E327 M372 L376 N377 G378L323-S374 WeakPolarHBondContact CD2-OG 3.5Å; E327-S374 WeakPolarHBondContact OE1-CB 3.46Å; M372-S374 PolarHBondContact O-N 3.07Å; S374-L376 VanDerWaalsContact C-N 3.33Å; S374-L376 PolarHBondContact O-N 2.79Å; S374-N377 CarbonylContact O-C 3.6Å; S374-N377 PolarHBondContact O-N 3.21Å; S374-N377 VanDerWaalsContact O-N 3.07Å; S374-G378 PolarHBondContact O-N 3.06Å
375I73Confident68.2Low19 Ų1951.8 Ų51.810%0.09728%0.278CS..Hα-helixtrans-55-45.4173.7-60.2175.6000111.4E320 M372 N377 G378 C379E320-I375 HydrophobicContact CG-CG2 4.21Å; E320-I375 WeakPolarHBondContact OE1-CG2 3.05Å; M372-I375 PolarHBondContact O-N 3.04Å; M372-I375 HydrophobicContact SD-CD1 4.43Å; I375-N377 VanDerWaalsContact C-N 3.31Å; I375-N377 PolarHBondContact O-N 3.34Å; I375-G378 PolarHBondContact O-N 3.31Å; I375-C379 PolarHBondContact O-N 3.37Å; I375-C379 PolarHBondContact O-SG 3.43Å
376L75.5Confident65.5Low3 Ų362.7 Ų62.72%0.01632%0.319CS..Hα-helixtrans-59.9-38.2176.2-77.3171.2000113.1L342 Q345 A346 L365 F369 M372 S374 C379L342-L376 HydrophobicContact CD1-CB 4.02Å; Q345-L376 PolarHBondContact OE1-O 3.06Å; A346-L376 HydrophobicContact CB-CD1 3.99Å; A346-L376 HydrophobicContact CB-CD2 4.33Å; L365-L376 HydrophobicContact CD2-CD1 4.31Å; L365-L376 HydrophobicContact CD2-CD2 4.07Å; L365-L376 HydrophobicContact CD2-CG 4.32Å; F369-L376 HydrophobicContact CE2-CD1 4.26Å; M372-L376 WeakPolarHBondContact O-CB 3.37Å; M372-L376 VanDerWaalsContact O-CG 3.29Å; M372-L376 WeakPolarHBondContact O-CG 2.95Å; M372-L376 PolarHBondContact O-N 3Å; S374-L376 VanDerWaalsContact C-N 3.33Å; S374-L376 PolarHBondContact O-N 2.79Å; L376-C379 WeakPolarHBondContact O-CB 3.03Å
377N66.4Low62.6Low39 Ų3968.1 Ų68.121%0.20936%0.357CS..Hα-helixtrans-78.4-31.5179.4163.867.7000112.6Q338 L342 S374 I375 C379Q338-N377 WeakPolarHBondContact CB-OD1 3.33Å; Q338-N377 PolarHBondContact NE2-ND2 3.31Å; Q338-N377 VanDerWaalsContact NE2-ND2 3.15Å; L342-N377 HydrophobicContact CD1-CB 4.13Å; S374-N377 CarbonylContact O-C 3.6Å; S374-N377 PolarHBondContact O-N 3.21Å; S374-N377 VanDerWaalsContact O-N 3.07Å; I375-N377 VanDerWaalsContact C-N 3.31Å; I375-N377 PolarHBondContact O-N 3.34Å; N377-C379 VanDerWaalsContact C-N 3.3Å
378G57.2Low60Low52 Ų5270.8 Ų70.854%0.53639%0.386SS..Hα-helixtrans-67.2-28.6169.800000113.4S374 I375 Q380S374-G378 PolarHBondContact O-N 3.06Å; I375-G378 PolarHBondContact O-N 3.31Å; G378-Q380 VanDerWaalsContact C-N 3.26Å; G378-Q380 PolarHBondContact O-N 3.03Å
379C52.4Low57.4Low49 Ų4977.6 Ų77.633%0.33142%0.422SS..  trans-69.971.6173.3-68.90000112.5R349 I375 L376 N377 A381R349-C379 PolarHBondContact NH1-SG 2.82Å; I375-C379 PolarHBondContact O-N 3.37Å; I375-C379 PolarHBondContact O-SG 3.43Å; L376-C379 WeakPolarHBondContact O-CB 3.03Å; N377-C379 VanDerWaalsContact C-N 3.3Å; C379-A381 PolarHBondContact O-N 3.17Å
380Q49.7Very low55.2Low178 Ų17884.3 Ų84.383%0.83245%0.453SS*.  trans-55.4125.1166-74.8-162.44.700109.6G378 R382G378-Q380 VanDerWaalsContact C-N 3.26Å; G378-Q380 PolarHBondContact O-N 3.03Å; Q380-R382 PolarHBondContact O-N 3.28Å
381A46Very low53.2Low41 Ų4186.5 Ų86.534%0.33947%0.469SS..  trans-58.4126.2-165.400000112C379 I383C379-A381 PolarHBondContact O-N 3.17Å; A381-I383 HydrophobicContact CB-CG1 4.34Å; A381-I383 PolarHBondContact O-N 3.32Å
382R42Very low51.4Low203 Ų20389.3 Ų89.377%0.76649%0.491SS*.  trans-6970.6169.3-74.8-174.6172.4-171.9-3.9111Q380Q380-R382 PolarHBondContact O-N 3.28Å
383I41.4Very low49.7Very low65 Ų6592.1 Ų92.133%0.33351%0.51SS..  trans-66.2126.2162.3-59.8171.2000106.4A381 Q385 W395A381-I383 HydrophobicContact CB-CG1 4.34Å; A381-I383 PolarHBondContact O-N 3.32Å; I383-Q385 PolarHBondContact O-N 3.44Å; I383-Q385 VanDerWaalsContact O-N 3.12Å; I383-W395 HydrophobicContact CD1-CB 4.11Å; I383-W395 HydrophobicContact CD1-CG 4.3Å
384P39.8Very low47.9Very low115 Ų11595.8 Ų95.875%0.74753%0.531SS*.  trans-57.1119.8177.1-25.334.8000110.4R386P384-R386 PolarHBondContact O-N 3.13Å
385Q33.1Very low47Very low199 Ų19997.6 Ų97.693%0.9354%0.536SS*.  trans-63.9104-173.7-77.9-171.3-13.900111.7I383I383-Q385 PolarHBondContact O-N 3.44Å; I383-Q385 VanDerWaalsContact O-N 3.12Å
386R32.9Very low46Very low232 Ų232102.6 Ų102.688%0.87555%0.554SS**  trans-13193.5158.6-78.6-170.1168.5-176.9-3.6109.5P384P384-R386 PolarHBondContact O-N 3.13Å
387S33.1Very low44.9Very low115 Ų115106.6 Ų106.680%0.80458%0.578SS**SBendtrans53.7121.6160.457.30000119.7
388G36Very low44.2Very low61 Ų61107.5 Ų107.563%0.62959%0.585SS**SBendtrans87.883143.100000118Q390G388-Q390 PolarHBondContact O-N 3.1Å
389D35.4Very low44.4Very low173 Ų173105.8 Ų105.893%0.92557%0.565SS**SBendtrans44.914137.2-139.921.5000122
390Q42.3Very low44.7Very low141 Ų141110.7 Ų110.766%0.65958%0.576SS**  trans-123.22.2176.3-62.2-168.81.100113.7G388 S392 T393 V394G388-Q390 PolarHBondContact O-N 3.1Å; Q390-S392 PolarHBondContact O-N 2.65Å; Q390-T393 PolarHBondContact O-N 3.33Å; Q390-T393 VanDerWaalsContact O-N 3.14Å; Q390-V394 HydrophobicContact CB-CG2 4.47Å; Q390-V394 PolarHBondContact O-N 2.89Å; Q390-V394 VanDerWaalsContact O-N 3.09Å
391S44.3Very low45.2Very low58 Ų58105 Ų10541%0.40655%0.553SS.*Hα-helixtrans-60.5-34.9-165-74.30000115.2V394 W395S391-V394 PolarHBondContact O-N 3.27Å; S391-W395 PolarHBondContact O-N 3.01Å
392S45Very low46Very low85 Ų85106.7 Ų106.759%0.59455%0.552SS**Hα-helixtrans-69-35.9179.261.50000112.5Q390 R396Q390-S392 PolarHBondContact O-N 2.65Å; S392-R396 WeakPolarHBondContact O-CB 3.44Å; S392-R396 PolarHBondContact O-N 3.49Å
393T46Very low47Very low88 Ų8897.8 Ų97.854%0.5452%0.52SS..Hα-helixtrans-69.9-44173.5-50.90000110.7Q390 R396 V397Q390-T393 PolarHBondContact O-N 3.33Å; Q390-T393 VanDerWaalsContact O-N 3.14Å; T393-R396 PolarHBondContact O-N 3.44Å; T393-V397 WeakPolarHBondContact O-CG2 3.25Å; T393-V397 PolarHBondContact O-N 3.15Å
394V44.1Very low48.2Very low82 Ų8299.7 Ų99.750%0.49753%0.531SS..Hα-helixtrans-59.2-50.7177.6174.60000110.7Q390 S391 R396 V397 V398Q390-V394 HydrophobicContact CB-CG2 4.47Å; Q390-V394 PolarHBondContact O-N 2.89Å; Q390-V394 VanDerWaalsContact O-N 3.09Å; S391-V394 PolarHBondContact O-N 3.27Å; V394-R396 VanDerWaalsContact C-N 3.33Å; V394-R396 PolarHBondContact O-N 3.29Å; V394-V397 PolarHBondContact O-N 3.07Å; V394-V398 HydrophobicContact CG1-CG2 4.24Å; V394-V398 VanDerWaalsContact O-CB 3.25Å; V394-V398 WeakPolarHBondContact O-CB 3.09Å; V394-V398 WeakPolarHBondContact O-CG2 3.06Å; V394-V398 PolarHBondContact O-N 3.37Å
395W51.3Low49.5Very low52 Ų52100.1 Ų100.120%0.19752%0.517CS..Hα-helixtrans-61.9-39.6-179.8-160.695.7000112.3F344 Q348 I383 S391 V398 S399F344-W395 HydrophobicContact CB-CH2 3.56Å; F344-W395 HydrophobicContact CB-CZ3 4.03Å; Q348-W395 VanDerWaalsContact OE1-CZ2 3.29Å; I383-W395 HydrophobicContact CD1-CB 4.11Å; I383-W395 HydrophobicContact CD1-CG 4.3Å; S391-W395 PolarHBondContact O-N 3.01Å; W395-V398 WeakPolarHBondContact O-CB 3.11Å; W395-V398 PolarHBondContact O-N 3.39Å; W395-S399 WeakPolarHBondContact CZ3-OG 3.47Å; W395-S399 PolarHBondContact O-N 3.33Å; W395-S399 PolarHBondContact O-OG 2.81Å
396R52.3Low51.1Low124 Ų12492 Ų9247%0.46848%0.48SS..Hα-helixtrans-68.9-33.4176.6-169.8175-70.7127.2-0.9113.1D341 S392 T393 V394 R400D341-R396 IonicContact OD2-CZ 3.68Å; D341-R396 IonicContact OD2-NE 4Å; D341-R396 PolarHBondContact OD2-NE 3.48Å; D341-R396 IonicContact OD2-NH2 2.67Å; D341-R396 PolarHBondContact OD2-NH2 3.49Å; S392-R396 WeakPolarHBondContact O-CB 3.44Å; S392-R396 PolarHBondContact O-N 3.49Å; T393-R396 PolarHBondContact O-N 3.44Å; V394-R396 VanDerWaalsContact C-N 3.33Å; V394-R396 PolarHBondContact O-N 3.29Å; R396-R400 WeakPolarHBondContact O-CB 3.28Å; R396-R400 PolarHBondContact O-N 3.03Å
397V51.5Low52.9Low87 Ų8784.7 Ų84.753%0.52746%0.455SS..Hα-helixtrans-71.6-42.3172.8169.30000110.8T393 V394 T401T393-V397 WeakPolarHBondContact O-CG2 3.25Å; T393-V397 PolarHBondContact O-N 3.15Å; V394-V397 PolarHBondContact O-N 3.07Å; V397-T401 WeakPolarHBondContact O-CB 3.26Å; V397-T401 PolarHBondContact O-N 3.29Å; V397-T401 PolarHBondContact O-OG1 3.37Å
398V53.1Low54.6Low57 Ų5785.8 Ų85.835%0.34545%0.447SS..Hα-helixtrans-52.3-70.1171.8151.20000110.1V394 W395 R400 T401 Y402V394-V398 HydrophobicContact CG1-CG2 4.24Å; V394-V398 VanDerWaalsContact O-CB 3.25Å; V394-V398 WeakPolarHBondContact O-CB 3.09Å; V394-V398 WeakPolarHBondContact O-CG2 3.06Å; V394-V398 PolarHBondContact O-N 3.37Å; W395-V398 WeakPolarHBondContact O-CB 3.11Å; W395-V398 PolarHBondContact O-N 3.39Å; V398-R400 PolarHBondContact O-N 2.86Å; V398-R400 VanDerWaalsContact O-N 3.1Å; V398-T401 WeakPolarHBondContact O-CA 2.99Å; V398-T401 WeakPolarHBondContact O-CB 3.32Å; V398-T401 PolarHBondContact O-N 3.34Å; V398-Y402 HydrophobicContact CG1-CD2 3.85Å; V398-Y402 HydrophobicContact CG1-CE2 3.79Å; V398-Y402 WeakPolarHBondContact O-CD2 3.41Å; V398-Y402 PolarHBondContact O-N 3.46Å
399S60.1Low56.2Low16 Ų1684 Ų8411%0.11243%0.426CS..Hα-helixtrans-58.5-33.6-172.7-59.20000112.7W395 Y402 S403W395-S399 WeakPolarHBondContact CZ3-OG 3.47Å; W395-S399 PolarHBondContact O-N 3.33Å; W395-S399 PolarHBondContact O-OG 2.81Å; S399-Y402 PolarHBondContact O-N 2.95Å; S399-S403 WeakPolarHBondContact O-CB 3.5Å; S399-S403 PolarHBondContact O-N 3.46Å
400R58.6Low58.3Low153 Ų15375.9 Ų75.958%0.57738%0.383SS*.Hα-helixtrans-71.4-36.5176.1-166.3171.7-176.6-168.9-3.4112.9R396 V398 S403 L404R396-R400 WeakPolarHBondContact O-CB 3.28Å; R396-R400 PolarHBondContact O-N 3.03Å; V398-R400 PolarHBondContact O-N 2.86Å; V398-R400 VanDerWaalsContact O-N 3.1Å; R400-S403 WeakPolarHBondContact CA-OG 3.25Å; R400-S403 PolarHBondContact O-N 3.43Å; R400-S403 PolarHBondContact O-OG 3.43Å; R400-L404 WeakPolarHBondContact O-CG 3.35Å; R400-L404 PolarHBondContact O-N 2.88Å
401T60.5Low59.9Low57 Ų5772.6 Ų72.635%0.3538%0.375SS..Hα-helixtrans-70.1-39.8173.3-53.10000111.1V397 V398 L404 R405V397-T401 WeakPolarHBondContact O-CB 3.26Å; V397-T401 PolarHBondContact O-N 3.29Å; V397-T401 PolarHBondContact O-OG1 3.37Å; V398-T401 WeakPolarHBondContact O-CA 2.99Å; V398-T401 WeakPolarHBondContact O-CB 3.32Å; V398-T401 PolarHBondContact O-N 3.34Å; T401-L404 PolarHBondContact O-N 2.98Å; T401-R405 PolarHBondContact O-N 3.18Å
402Y63Low61.4Low77 Ų7777 Ų7730%0.30239%0.39SS..Hα-helixtrans-62.7-42.6171.8-76-79.1000111.6V398 S399 L404 R405 L406 D1070V398-Y402 HydrophobicContact CG1-CD2 3.85Å; V398-Y402 HydrophobicContact CG1-CE2 3.79Å; V398-Y402 WeakPolarHBondContact O-CD2 3.41Å; V398-Y402 PolarHBondContact O-N 3.46Å; S399-Y402 PolarHBondContact O-N 2.95Å; Y402-L404 VanDerWaalsContact C-N 3.27Å; Y402-L404 PolarHBondContact O-N 3.23Å; Y402-R405 PolarHBondContact O-N 3.19Å; Y402-L406 WeakPolarHBondContact O-CG 3.33Å; Y402-L406 PolarHBondContact O-N 3.47Å; Y402-D1070 HydrophobicContact CE1-CB 4.01Å; Y402-D1070 PolarHBondContact OH-OD2 3.43Å
403S64.1Low62.9Low16 Ų1674.1 Ų74.111%0.11237%0.367CS..Hα-helixtrans-62.7-30.6176.9710000113.9S399 R400 K407S399-S403 WeakPolarHBondContact O-CB 3.5Å; S399-S403 PolarHBondContact O-N 3.46Å; R400-S403 WeakPolarHBondContact CA-OG 3.25Å; R400-S403 PolarHBondContact O-N 3.43Å; R400-S403 PolarHBondContact O-OG 3.43Å; S403-K407 WeakPolarHBondContact O-CB 3.48Å; S403-K407 PolarHBondContact O-N 2.89Å
404L65.7Low64.6Low105 Ų10572.5 Ų72.555%0.5537%0.367SS..Hα-helixtrans-70.9-44.9175.1-73.3168000111.2R400 T401 Y402 L406 K407 E408R400-L404 WeakPolarHBondContact O-CG 3.35Å; R400-L404 PolarHBondContact O-N 2.88Å; T401-L404 PolarHBondContact O-N 2.98Å; Y402-L404 VanDerWaalsContact C-N 3.27Å; Y402-L404 PolarHBondContact O-N 3.23Å; L404-L406 VanDerWaalsContact C-N 3.34Å; L404-L406 PolarHBondContact O-N 2.99Å; L404-K407 WeakPolarHBondContact O-CB 3.49Å; L404-K407 PolarHBondContact O-N 3.01Å; L404-E408 WeakPolarHBondContact O-CG 3.06Å; L404-E408 PolarHBondContact O-N 3.4Å
405R66.7Low66.5Low124 Ų12468.8 Ų68.847%0.46834%0.344SS..Hα-helixtrans-64.4-36.2175.3-68.1177.8-177.8167.11.5112.9T401 Y402 E408 A409T401-R405 PolarHBondContact O-N 3.18Å; Y402-R405 PolarHBondContact O-N 3.19Å; R405-E408 PolarHBondContact O-N 2.85Å; R405-A409 WeakPolarHBondContact O-CB 3.14Å; R405-A409 PolarHBondContact O-N 3.44Å
406L67.9Low68.1Low28 Ų2871.5 Ų71.515%0.14736%0.359CS..Hα-helixtrans-68.1-39.7173.2-69.3169.6000111.2Y402 L404 A409 F410 M1120Y402-L406 WeakPolarHBondContact O-CG 3.33Å; Y402-L406 PolarHBondContact O-N 3.47Å; L404-L406 VanDerWaalsContact C-N 3.34Å; L404-L406 PolarHBondContact O-N 2.99Å; L406-A409 PolarHBondContact O-N 3.41Å; L406-F410 HydrophobicContact CB-CD2 4.33Å; L406-F410 HydrophobicContact CB-CE2 4.22Å; L406-F410 HydrophobicContact CD2-CE2 3.78Å; L406-F410 HydrophobicContact CD2-CZ 3.91Å; L406-F410 WeakPolarHBondContact O-CB 3.22Å; L406-F410 WeakPolarHBondContact O-CD2 2.99Å; L406-F410 WeakPolarHBondContact O-CG 3.27Å; L406-F410 PolarHBondContact O-N 2.72Å; L406-M1120 WeakPolarHBondContact CD1-O 3.47Å
407K69.7Low69.5Low80 Ų8067 Ų6735%0.34835%0.346SS..Hα-helixtrans-59.9-45.6171.5-175.7167.3-173.3162.30111.5S403 L404 S411 E416 P417S403-K407 WeakPolarHBondContact O-CB 3.48Å; S403-K407 PolarHBondContact O-N 2.89Å; L404-K407 WeakPolarHBondContact O-CB 3.49Å; L404-K407 PolarHBondContact O-N 3.01Å; K407-S411 WeakPolarHBondContact O-CB 3.42Å; K407-S411 PolarHBondContact O-N 2.97Å; K407-S411 PolarHBondContact O-OG 3.31Å; K407-E416 VanDerWaalsContact CE-OE1 3.31Å; K407-E416 WeakPolarHBondContact CE-OE1 3.41Å; K407-E416 IonicContact NZ-OE1 3.61Å; K407-E416 PolarHBondContact NZ-OE1 2.92Å; K407-P417 HydrophobicContact CB-CG 4.01Å; K407-P417 HydrophobicContact CD-CG 4.1Å; K407-P417 HydrophobicContact CG-CG 4.27Å
408E69.6Low71Confident137 Ų13763.6 Ų63.664%0.6433%0.328SS*.Hα-helixtrans-57.2-53.1174.4-71.2166.5173.500110.8L404 R405 F410 S411L404-E408 WeakPolarHBondContact O-CG 3.06Å; L404-E408 PolarHBondContact O-N 3.4Å; R405-E408 PolarHBondContact O-N 2.85Å; E408-F410 VanDerWaalsContact C-N 3.35Å; E408-F410 PolarHBondContact O-N 3.3Å; E408-S411 PolarHBondContact O-N 3.25Å; E408-S411 PolarHBondContact O-OG 3.42Å
409A70.1Confident72.6Confident23 Ų2364.5 Ų64.519%0.1933%0.331CS..Hα-helixtrans-61.8-34.2-178.100000114.8R405 L406 L1066R405-A409 WeakPolarHBondContact O-CB 3.14Å; R405-A409 PolarHBondContact O-N 3.44Å; L406-A409 PolarHBondContact O-N 3.41Å; A409-L1066 HydrophobicContact CB-CD1 3.88Å
410F78Confident74Confident4 Ų464.9 Ų64.92%0.01833%0.334CS..Hα-helixtrans-99.2-12.7-176.1-57.8-30.5000113.9L406 E408 E412 F413 G414 I415 V1063 I1090 C1119L406-F410 HydrophobicContact CB-CD2 4.33Å; L406-F410 HydrophobicContact CB-CE2 4.22Å; L406-F410 HydrophobicContact CD2-CE2 3.78Å; L406-F410 HydrophobicContact CD2-CZ 3.91Å; L406-F410 WeakPolarHBondContact O-CB 3.22Å; L406-F410 WeakPolarHBondContact O-CD2 2.99Å; L406-F410 WeakPolarHBondContact O-CG 3.27Å; L406-F410 PolarHBondContact O-N 2.72Å; E408-F410 VanDerWaalsContact C-N 3.35Å; E408-F410 PolarHBondContact O-N 3.3Å; F410-E412 VanDerWaalsContact C-N 3.3Å; F410-E412 PolarHBondContact O-N 3.4Å; F410-F413 PolarHBondContact O-N 3.1Å; F410-G414 PolarHBondContact O-N 3.34Å; F410-I415 HydrophobicContact CB-CB 4.08Å; F410-I415 HydrophobicContact CB-CG2 4.28Å; F410-I415 PolarHBondContact O-N 3.42Å; F410-V1063 HydrophobicContact CD1-CG1 4.06Å; F410-V1063 HydrophobicContact CE1-CG1 3.72Å; F410-I1090 HydrophobicContact CD1-CD1 3.85Å; F410-I1090 HydrophobicContact CD2-CD1 4.38Å; F410-I1090 HydrophobicContact CD2-CG2 4.03Å; F410-I1090 HydrophobicContact CE1-CD1 3.84Å; F410-I1090 HydrophobicContact CE1-CG1 4.35Å; F410-I1090 HydrophobicContact CE2-CD1 4.36Å; F410-I1090 HydrophobicContact CE2-CG1 4.46Å; F410-I1090 HydrophobicContact CE2-CG2 3.8Å; F410-I1090 HydrophobicContact CG-CD1 4.14Å; F410-I1090 HydrophobicContact CZ-CD1 4.1Å; F410-I1090 HydrophobicContact CZ-CG1 4.18Å; F410-I1090 HydrophobicContact CZ-CG2 4.34Å; F410-C1119 HydrophobicContact CZ-CB 4.3Å
411S76.3Confident75.5Confident71 Ų7157.9 Ų57.950%0.49731%0.308SS..Hα-helixtrans-59.9-34.3177.263.90000113.8K407 E408 F413 G414K407-S411 WeakPolarHBondContact O-CB 3.42Å; K407-S411 PolarHBondContact O-N 2.97Å; K407-S411 PolarHBondContact O-OG 3.31Å; E408-S411 PolarHBondContact O-N 3.25Å; E408-S411 PolarHBondContact O-OG 3.42Å; S411-F413 PolarHBondContact O-N 2.87Å; S411-F413 VanDerWaalsContact O-N 3.16Å; S411-G414 PolarHBondContact O-N 3.08Å
412E75.8Confident77Confident151 Ų15155.2 Ų55.271%0.70629%0.292SS*.THydrogen-bonded Turntrans-59.8-25.7175.3-168.8-178.9169.900112.5F410F410-E412 VanDerWaalsContact C-N 3.3Å; F410-E412 PolarHBondContact O-N 3.4Å
413F76.2Confident78.3Confident25 Ų2551.7 Ų51.711%0.1128%0.279CS..THydrogen-bonded Turntrans-98.11.7179.7-52.5-78.6000113.4F410 S411 I415 F423 R428 Q1061 V1063F410-F413 PolarHBondContact O-N 3.1Å; S411-F413 PolarHBondContact O-N 2.87Å; S411-F413 VanDerWaalsContact O-N 3.16Å; F413-I415 HydrophobicContact CB-CD1 4.02Å; F413-I415 HydrophobicContact CB-CG1 4.3Å; F413-F423 HydrophobicContact CB-CZ 4.47Å; F413-R428 PolarHBondContact O-NH1 3.09Å; F413-Q1061 HydrophobicContact CD1-CB 3.99Å; F413-Q1061 HydrophobicContact CD1-CG 4.4Å; F413-Q1061 HydrophobicContact CE1-CB 3.92Å; F413-Q1061 HydrophobicContact CE1-CG 4.45Å; F413-V1063 HydrophobicContact CD1-CG2 4.18Å; F413-V1063 HydrophobicContact CD2-CG2 4.03Å; F413-V1063 HydrophobicContact CE1-CG2 4.16Å; F413-V1063 HydrophobicContact CE2-CB 4.42Å; F413-V1063 HydrophobicContact CE2-CG1 4.37Å; F413-V1063 HydrophobicContact CE2-CG2 4Å; F413-V1063 HydrophobicContact CG-CG2 4.13Å; F413-V1063 HydrophobicContact CZ-CB 4.48Å; F413-V1063 HydrophobicContact CZ-CG2 4.07Å
414G82.4Confident79.5Confident53 Ų5351.1 Ų51.155%0.54627%0.274SS..THydrogen-bonded Turntrans64.458.9-176.700000112.1F410 S411F410-G414 PolarHBondContact O-N 3.34Å; S411-G414 PolarHBondContact O-N 3.08Å
415I83.4Confident80.4Confident5 Ų546.3 Ų46.33%0.02625%0.249CC..  trans-136.5120.7-179.8-59.8174.7000107.7F410 F413 D419 A421 F423 I1090F410-I415 HydrophobicContact CB-CB 4.08Å; F410-I415 HydrophobicContact CB-CG2 4.28Å; F410-I415 PolarHBondContact O-N 3.42Å; F413-I415 HydrophobicContact CB-CD1 4.02Å; F413-I415 HydrophobicContact CB-CG1 4.3Å; I415-D419 HydrophobicContact CG2-CB 3.82Å; I415-A421 HydrophobicContact CD1-CB 3.68Å; I415-A421 HydrophobicContact CG1-CB 4.42Å; I415-F423 HydrophobicContact CD1-CE2 4.14Å; I415-F423 HydrophobicContact CD1-CZ 4.21Å; I415-I1090 HydrophobicContact CD1-CD1 3.73Å; I415-I1090 HydrophobicContact CG2-CG2 4.43Å
416E84.9Confident81Confident109 Ų10940.5 Ų40.551%0.50923%0.228SC..  trans-97.2164.5176.5-64.9-129.2117.400112.3K407 G418 D419 N1121K407-E416 VanDerWaalsContact CE-OE1 3.31Å; K407-E416 WeakPolarHBondContact CE-OE1 3.41Å; K407-E416 IonicContact NZ-OE1 3.61Å; K407-E416 PolarHBondContact NZ-OE1 2.92Å; E416-G418 PolarHBondContact O-N 2.93Å; E416-D419 PolarHBondContact N-OD2 3.44Å; E416-D419 VanDerWaalsContact O-CB 3.28Å; E416-D419 WeakPolarHBondContact O-CB 3.14Å; E416-D419 PolarHBondContact O-N 3.05Å; E416-N1121 PolarHBondContact O-ND2 2.91Å
417P81.2Confident81.8Confident30 Ų3039.6 Ų39.620%0.19522%0.223CC..THydrogen-bonded Turntrans-61.4120.4176.3-25.536.5000113.1K407K407-P417 HydrophobicContact CB-CG 4.01Å; K407-P417 HydrophobicContact CD-CG 4.1Å; K407-P417 HydrophobicContact CG-CG 4.27Å
418G82.9Confident82.6Confident14 Ų1441.5 Ų41.514%0.14423%0.228CC..THydrogen-bonded Turntrans106.1-22.3-170.700000114.1E416 N1121E416-G418 PolarHBondContact O-N 2.93Å; G418-N1121 WeakPolarHBondContact CA-O 3.18Å; G418-N1121 PolarHBondContact N-O 3.29Å
419D87.1Confident83.5Confident77 Ų7735.3 Ų35.341%0.41220%0.199SC..  trans-70.3154.8176.4-67.3-16.3000111.1I415 E416 N1121I415-D419 HydrophobicContact CG2-CB 3.82Å; E416-D419 PolarHBondContact N-OD2 3.44Å; E416-D419 VanDerWaalsContact O-CB 3.28Å; E416-D419 WeakPolarHBondContact O-CB 3.14Å; E416-D419 PolarHBondContact O-N 3.05Å; D419-N1121 PolarHBondContact O-ND2 3.28Å
420S90Very high84.1Confident23 Ų2337.6 Ų37.616%0.16121%0.208CC..  trans-128139.6177.2-58.20000110.8I1090 D1092 S1095S420-I1090 CarbonylContact C-O 3.55Å; S420-I1090 WeakPolarHBondContact CA-O 3.5Å; S420-D1092 PolarHBondContact OG-N 2.88Å; S420-S1095 PolarHBondContact OG-OG 3.41Å
421A90.8Very high83.9Confident6 Ų639.3 Ų39.35%0.0522%0.217CC..EExtended strand (participates in β ladder)trans-149.5144.2-179.800000110.6I415 F423 I1090I415-A421 HydrophobicContact CD1-CB 3.68Å; I415-A421 HydrophobicContact CG1-CB 4.42Å; A421-F423 HydrophobicContact CB-CE2 3.86Å; A421-I1090 PolarHBondContact N-O 3.5Å; A421-I1090 PolarHBondContact O-N 2.99Å
422I91.9Very high83.6Confident2 Ų242.4 Ų42.41%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-122.3132.9175.8173.8168.1000109.8I424 I429 L431 I1087 L1105I422-I424 HydrophobicContact CG1-CG1 4.42Å; I422-I429 HydrophobicContact CG2-CB 4.08Å; I422-I429 HydrophobicContact CG2-CG2 4.37Å; I422-I429 PolarHBondContact O-N 2.83Å; I422-L431 HydrophobicContact CG2-CD1 4.12Å; I422-L431 HydrophobicContact CG2-CD2 4.48Å; I422-L431 HydrophobicContact CG2-CG 4.25Å; I422-I1087 HydrophobicContact CD1-CG2 3.94Å; I422-I1087 HydrophobicContact CG1-CG2 4.02Å; I422-L1105 HydrophobicContact CD1-CD2 3.75Å; I422-L1105 HydrophobicContact CD1-CG 4.5Å
423F90.1Very high83.3Confident3 Ų340 Ų401%0.01322%0.217CC..EExtended strand (participates in β ladder)trans-119.1128.7178.9-62.6-102.5000109F413 I415 A421 M427 R428 Q1061 V1063 I1087 V1088 I1090F413-F423 HydrophobicContact CB-CZ 4.47Å; I415-F423 HydrophobicContact CD1-CE2 4.14Å; I415-F423 HydrophobicContact CD1-CZ 4.21Å; A421-F423 HydrophobicContact CB-CE2 3.86Å; F423-M427 CarbonylContact C-O 3.46Å; F423-M427 VanDerWaalsContact CA-O 3.3Å; F423-M427 WeakPolarHBondContact CA-O 3.44Å; F423-R428 HydrophobicContact CD1-CB 3.93Å; F423-R428 HydrophobicContact CE1-CB 3.71Å; F423-R428 HydrophobicContact CE1-CG 4.12Å; F423-R428 HydrophobicContact CZ-CB 4.39Å; F423-R428 HydrophobicContact CZ-CG 4.3Å; F423-Q1061 HydrophobicContact CE1-CB 4.35Å; F423-V1063 HydrophobicContact CD2-CG2 4.06Å; F423-V1063 HydrophobicContact CE1-CG2 4.25Å; F423-V1063 HydrophobicContact CE2-CG2 3.76Å; F423-V1063 HydrophobicContact CG-CG2 4.46Å; F423-V1063 HydrophobicContact CZ-CG2 3.86Å; F423-I1087 WeakPolarHBondContact O-CA 3.12Å; F423-V1088 HydrophobicContact CB-CB 4.43Å; F423-V1088 PolarHBondContact N-O 3.1Å; F423-V1088 PolarHBondContact O-N 3.28Å; F423-I1090 HydrophobicContact CE2-CD1 4.19Å
424I88.6Confident83.2Confident4 Ų439.6 Ų39.62%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-116115.5175.7-57.9-179.6000108.1I422 G426 M427 I429 L439 L443 F1085 I1087I422-I424 HydrophobicContact CG1-CG1 4.42Å; I424-G426 PolarHBondContact O-N 2.93Å; I424-M427 PolarHBondContact N-O 2.87Å; I424-M427 WeakPolarHBondContact O-CB 3.42Å; I424-M427 WeakPolarHBondContact O-CE 3.39Å; I424-M427 PolarHBondContact O-N 2.96Å; I424-I429 HydrophobicContact CB-CG1 4.25Å; I424-I429 HydrophobicContact CD1-CG1 3.94Å; I424-I429 HydrophobicContact CG1-CG1 3.86Å; I424-L439 HydrophobicContact CD1-CD1 4Å; I424-L443 HydrophobicContact CD1-CD2 4.33Å; I424-L443 HydrophobicContact CG2-CD2 4.25Å; I424-F1085 HydrophobicContact CG2-CD1 4.03Å; I424-I1087 HydrophobicContact CG1-CG1 4.38Å; I424-I1087 HydrophobicContact CG1-CG2 4.47Å
425N84.9Confident83.1Confident4 Ų438.6 Ų38.62%0.02120%0.198CC..THydrogen-bonded Turntrans47.242.6-171.2-58-7.7000112.6M427 E446 L450 R1060 W1062 E1086N425-M427 VanDerWaalsContact C-N 3.27Å; N425-M427 PolarHBondContact O-N 3.39Å; N425-E446 VanDerWaalsContact CB-OE1 3.29Å; N425-E446 WeakPolarHBondContact CB-OE1 3.44Å; N425-E446 WeakPolarHBondContact ND2-CG 3.39Å; N425-E446 PolarHBondContact ND2-OE1 3.14Å; N425-L450 VanDerWaalsContact ND2-CD1 3.31Å; N425-L450 WeakPolarHBondContact ND2-CD1 3.35Å; N425-R1060 VanDerWaalsContact CB-NH1 3.33Å; N425-R1060 PolarHBondContact O-NH1 3.34Å; N425-W1062 VanDerWaalsContact C-CZ3 3.46Å; N425-W1062 VanDerWaalsContact CA-CH2 3.42Å; N425-W1062 HydrophobicContact CB-CH2 4Å; N425-W1062 WeakPolarHBondContact O-CH2 3Å; N425-W1062 WeakPolarHBondContact O-CZ2 3.45Å; N425-E1086 PolarHBondContact N-O 3.12Å; N425-E1086 PolarHBondContact OD1-N 3.09Å; N425-E1086 PolarHBondContact OD1-O 2.89Å
426G79.7Confident83.3Confident2 Ų239 Ų392%0.02120%0.2CC..THydrogen-bonded Turntrans76.3-4.2-176.400000115.8I424 R428 R1060 Q1061I424-G426 PolarHBondContact O-N 2.93Å; G426-R428 PolarHBondContact O-N 2.92Å; G426-R1060 CarbonylContact O-C 3.52Å; G426-R1060 WeakPolarHBondContact O-CA 3.02Å; G426-Q1061 CarbonylContact C-O 3.59Å; G426-Q1061 VanDerWaalsContact CA-O 3.26Å; G426-Q1061 WeakPolarHBondContact CA-O 3.5Å; G426-Q1061 PolarHBondContact O-N 2.96Å; G426-Q1061 VanDerWaalsContact O-O 3.07Å
427M84.1Confident83.5Confident8 Ų834.9 Ų34.94%0.03918%0.18CC..EExtended strand (participates in β ladder)trans-79.8116.2173-60.5177.1-73.600109.3F423 I424 N425 I429 E446 T1058 R1060F423-M427 CarbonylContact C-O 3.46Å; F423-M427 VanDerWaalsContact CA-O 3.3Å; F423-M427 WeakPolarHBondContact CA-O 3.44Å; I424-M427 PolarHBondContact N-O 2.87Å; I424-M427 WeakPolarHBondContact O-CB 3.42Å; I424-M427 WeakPolarHBondContact O-CE 3.39Å; I424-M427 PolarHBondContact O-N 2.96Å; N425-M427 VanDerWaalsContact C-N 3.27Å; N425-M427 PolarHBondContact O-N 3.39Å; M427-I429 HydrophobicContact CB-CD1 4.39Å; M427-I429 PolarHBondContact O-N 3.22Å; M427-E446 HydrophobicContact CE-CG 4.02Å; M427-T1058 PolarHBondContact SD-OG1 2.89Å; M427-T1058 VanDerWaalsContact SD-OG1 3.42Å; M427-R1060 HydrophobicContact CG-CG 3.84Å
428R87.5Confident83.6Confident120 Ų12035.1 Ų35.145%0.45319%0.185SC..EExtended strand (participates in β ladder)trans-60.7127.1170.2-174.6171.9173.3155.1-1.8108.5F413 F423 G426F413-R428 PolarHBondContact O-NH1 3.09Å; F423-R428 HydrophobicContact CD1-CB 3.93Å; F423-R428 HydrophobicContact CE1-CB 3.71Å; F423-R428 HydrophobicContact CE1-CG 4.12Å; F423-R428 HydrophobicContact CZ-CB 4.39Å; F423-R428 HydrophobicContact CZ-CG 4.3Å; G426-R428 PolarHBondContact O-N 2.92Å
429I87.3Confident83.9Confident8 Ų834.6 Ų34.64%0.04118%0.179CC..EExtended strand (participates in β ladder)trans-105.5120.4178.5-59-51.8000107.8I422 I424 M427 L431 M434I422-I429 HydrophobicContact CG2-CB 4.08Å; I422-I429 HydrophobicContact CG2-CG2 4.37Å; I422-I429 PolarHBondContact O-N 2.83Å; I424-I429 HydrophobicContact CB-CG1 4.25Å; I424-I429 HydrophobicContact CD1-CG1 3.94Å; I424-I429 HydrophobicContact CG1-CG1 3.86Å; M427-I429 HydrophobicContact CB-CD1 4.39Å; M427-I429 PolarHBondContact O-N 3.22Å; I429-L431 HydrophobicContact CG2-CD2 3.87Å; I429-M434 HydrophobicContact CD1-CE 4.34Å; I429-M434 HydrophobicContact CG2-CE 3.63Å
430D82.5Confident84Confident70 Ų7031.1 Ų31.137%0.37416%0.16SC..  trans-87.7132.3167.9-165.3-62000108.8D432 E433 M434D430-D432 PolarHBondContact OD1-N 2.96Å; D430-E433 HydrophobicContact CB-CB 4.31Å; D430-E433 PolarHBondContact OD1-N 2.8Å; D430-M434 VanDerWaalsContact O-CB 3.24Å; D430-M434 WeakPolarHBondContact O-CB 3.36Å
431L74.6Confident83.8Confident40 Ų4031.8 Ų31.821%0.20916%0.162CC..THydrogen-bonded Turntrans-101.8-15.3-177.8-63.6-179.5000113.2I422 I429 I1101 L1104I422-L431 HydrophobicContact CG2-CD1 4.12Å; I422-L431 HydrophobicContact CG2-CD2 4.48Å; I422-L431 HydrophobicContact CG2-CG 4.25Å; I429-L431 HydrophobicContact CG2-CD2 3.87Å; L431-I1101 HydrophobicContact CD1-CD1 4.28Å; L431-I1101 HydrophobicContact CD1-CG1 3.46Å; L431-I1101 VanDerWaalsContact CD1-CG1 3.46Å; L431-L1104 HydrophobicContact CD1-CD2 4.2Å; L431-L1104 HydrophobicContact CD2-CD2 3.57Å
432D70.5Confident83.5Confident137 Ų13734.7 Ų34.773%0.73317%0.173SC*.THydrogen-bonded Turntrans-82.4-32.5174.6-65.1-45.7000110.2D430D430-D432 PolarHBondContact OD1-N 2.96Å
433E68.7Low83.4Confident99 Ų9935 Ų3546%0.46318%0.175SC..THydrogen-bonded Turntrans-81.7-33.8173.7-71.9-159.5164.800114.9D430 R1448D430-E433 HydrophobicContact CB-CB 4.31Å; D430-E433 PolarHBondContact OD1-N 2.8Å; E433-R1448 PolarHBondContact O-NH1 3.12Å
434M73.7Confident83.4Confident17 Ų1735.1 Ų35.18%0.08418%0.176CC..  trans-120.1110.9-160.1-161.9179.374.900114I429 D430 A438 L439 K442I429-M434 HydrophobicContact CD1-CE 4.34Å; I429-M434 HydrophobicContact CG2-CE 3.63Å; D430-M434 VanDerWaalsContact O-CB 3.24Å; D430-M434 WeakPolarHBondContact O-CB 3.36Å; M434-A438 HydrophobicContact CG-CB 3.64Å; M434-A438 HydrophobicContact SD-CB 4.45Å; M434-L439 HydrophobicContact CE-CB 3.82Å; M434-L439 HydrophobicContact CE-CD1 3.65Å; M434-L439 HydrophobicContact CE-CG 4.22Å; M434-K442 HydrophobicContact CE-CD 4.16Å; M434-K442 HydrophobicContact SD-CD 3.62Å; M434-K442 WeakPolarHBondContact SD-CE 3.47Å; M434-K442 PolarHBondContact SD-NZ 2.74Å
435D81Confident83.2Confident32 Ų3240.8 Ų40.817%0.17120%0.2CC..  trans-71169.1175.864.665.3000114.2F437 A438 L439 P1175D435-F437 HydrophobicContact CB-CD2 4.34Å; D435-F437 PolarHBondContact O-N 3.16Å; D435-F437 WeakPolarHBondContact OD1-CA 3.47Å; D435-F437 VanDerWaalsContact OD1-CB 3.26Å; D435-F437 WeakPolarHBondContact OD1-CB 3.1Å; D435-F437 WeakPolarHBondContact OD1-CD2 3.29Å; D435-F437 PolarHBondContact OD1-N 3.28Å; D435-A438 PolarHBondContact O-N 2.75Å; D435-A438 PolarHBondContact OD1-N 3Å; D435-L439 PolarHBondContact O-N 2.71Å; D435-P1175 HydrophobicContact CB-CB 4.29Å
436I87.6Confident83.3Confident14 Ų1440.8 Ų40.87%0.07220%0.2CC..Hα-helixtrans-62.9-25.2-179-169.359000113.6F130 L439 L440 L1104 I1139F130-I436 HydrophobicContact CE1-CD1 4.42Å; F130-I436 HydrophobicContact CE1-CG1 4.44Å; F130-I436 HydrophobicContact CZ-CD1 4.09Å; F130-I436 HydrophobicContact CZ-CG1 4.08Å; I436-L439 HydrophobicContact CD1-CD2 4.17Å; I436-L440 WeakPolarHBondContact O-CB 3.45Å; I436-L440 PolarHBondContact O-N 2.87Å; I436-L1104 HydrophobicContact CD1-CD1 3.95Å; I436-I1139 HydrophobicContact CB-CD1 4.35Å; I436-I1139 HydrophobicContact CD1-CD1 4.19Å; I436-I1139 HydrophobicContact CG1-CD1 4.06Å; I436-I1139 HydrophobicContact CG1-CG2 4.46Å
437F88.5Confident83.7Confident22 Ų2240.8 Ų40.810%0.09620%0.199CC..Hα-helixtrans-78.8-43.4-179.2-45.2-73.8000110.4I134 C136 D435 L439 L440 D441 P1175 W1178 F1297I134-F437 HydrophobicContact CB-CE1 4.46Å; I134-F437 HydrophobicContact CD1-CD1 3.78Å; I134-F437 HydrophobicContact CD1-CE1 4.02Å; I134-F437 HydrophobicContact CG1-CE1 4.38Å; C136-F437 HydrophobicContact CB-CD1 3.71Å; C136-F437 HydrophobicContact CB-CE1 4.15Å; D435-F437 HydrophobicContact CB-CD2 4.34Å; D435-F437 PolarHBondContact O-N 3.16Å; D435-F437 WeakPolarHBondContact OD1-CA 3.47Å; D435-F437 VanDerWaalsContact OD1-CB 3.26Å; D435-F437 WeakPolarHBondContact OD1-CB 3.1Å; D435-F437 WeakPolarHBondContact OD1-CD2 3.29Å; D435-F437 PolarHBondContact OD1-N 3.28Å; F437-L439 VanDerWaalsContact C-N 3.31Å; F437-L440 PolarHBondContact O-N 2.69Å; F437-D441 PolarHBondContact O-N 3.47Å; F437-D441 VanDerWaalsContact O-N 3.07Å; F437-P1175 HydrophobicContact CE2-CG 4.46Å; F437-W1178 AromaticContact CE2-CZ2 3.76Å; F437-W1178 HydrophobicContact CE2-CZ2 3.76Å; F437-W1178 HydrophobicContact CZ-CH2 4.38Å; F437-W1178 AromaticContact CZ-CZ2 3.91Å; F437-W1178 HydrophobicContact CZ-CZ2 3.91Å; F437-F1297 HydrophobicContact CD1-CD2 4.07Å; F437-F1297 HydrophobicContact CD2-CB 3.62Å; F437-F1297 HydrophobicContact CD2-CD2 4.49Å; F437-F1297 HydrophobicContact CD2-CG 4.42Å; F437-F1297 AromaticContact CE1-CD2 3.64Å; F437-F1297 HydrophobicContact CE1-CD2 3.64Å; F437-F1297 HydrophobicContact CE1-CE2 4.23Å; F437-F1297 HydrophobicContact CE1-CG 4.37Å; F437-F1297 HydrophobicContact CE2-CB 3.57Å; F437-F1297 HydrophobicContact CE2-CD2 4.11Å; F437-F1297 HydrophobicContact CE2-CG 4.02Å; F437-F1297 HydrophobicContact CG-CB 4.15Å; F437-F1297 HydrophobicContact CG-CD2 4.48Å; F437-F1297 HydrophobicContact CZ-CB 4.05Å; F437-F1297 AromaticContact CZ-CD2 3.67Å; F437-F1297 HydrophobicContact CZ-CD2 3.67Å; F437-F1297 HydrophobicContact CZ-CE2 4.33Å; F437-F1297 AromaticContact CZ-CG 3.99Å; F437-F1297 HydrophobicContact CZ-CG 3.99Å
438A84.1Confident83.8Confident35 Ų3543.2 Ų43.229%0.28921%0.208SC..Hα-helixtrans-63.9-35.517000000112.1M434 D435 K442M434-A438 HydrophobicContact CG-CB 3.64Å; M434-A438 HydrophobicContact SD-CB 4.45Å; D435-A438 PolarHBondContact O-N 2.75Å; D435-A438 PolarHBondContact OD1-N 3Å; A438-K442 PolarHBondContact O-N 3.49Å; A438-K442 VanDerWaalsContact O-N 3.1Å
439L88.1Confident83.7Confident4 Ų437.5 Ų37.52%0.02119%0.186CC..Hα-helixtrans-64.1-45.4171.5-175.851.2000111.9I424 M434 D435 I436 F437 D441 K442 L443 L1104 I1108I424-L439 HydrophobicContact CD1-CD1 4Å; M434-L439 HydrophobicContact CE-CB 3.82Å; M434-L439 HydrophobicContact CE-CD1 3.65Å; M434-L439 HydrophobicContact CE-CG 4.22Å; D435-L439 PolarHBondContact O-N 2.71Å; I436-L439 HydrophobicContact CD1-CD2 4.17Å; F437-L439 VanDerWaalsContact C-N 3.31Å; L439-D441 VanDerWaalsContact C-N 3.34Å; L439-D441 PolarHBondContact O-N 2.7Å; L439-K442 PolarHBondContact O-N 3.07Å; L439-L443 HydrophobicContact CD1-CD1 4.33Å; L439-L443 HydrophobicContact CD1-CG 4.13Å; L439-L443 HydrophobicContact CG-CD1 4.14Å; L439-L443 HydrophobicContact CG-CG 4.38Å; L439-L443 WeakPolarHBondContact O-CG 3.39Å; L439-L443 PolarHBondContact O-N 3.48Å; L439-L1104 HydrophobicContact CD2-CD1 3.91Å; L439-L1104 HydrophobicContact CD2-CD2 4.15Å; L439-L1104 HydrophobicContact CD2-CG 4.45Å; L439-I1108 HydrophobicContact CD2-CD1 3.92Å
440L90.1Very high83.4Confident4 Ų438.2 Ų38.22%0.02119%0.19CC..Hα-helixtrans-58.2-44176.2175.258000111.8L127 F130 A131 I134 I436 F437 K442 L443 K444L127-L440 HydrophobicContact CD2-CD1 3.76Å; F130-L440 HydrophobicContact CD1-CD1 4.08Å; F130-L440 HydrophobicContact CD1-CD2 4.47Å; A131-L440 HydrophobicContact CB-CD2 4Å; I134-L440 HydrophobicContact CD1-CD2 3.73Å; I436-L440 WeakPolarHBondContact O-CB 3.45Å; I436-L440 PolarHBondContact O-N 2.87Å; F437-L440 PolarHBondContact O-N 2.69Å; L440-K442 PolarHBondContact O-N 3.47Å; L440-L443 PolarHBondContact O-N 2.63Å; L440-K444 HydrophobicContact CD1-CD 4.09Å; L440-K444 HydrophobicContact CD1-CG 4.1Å; L440-K444 HydrophobicContact CG-CD 4.01Å; L440-K444 HydrophobicContact CG-CG 4.49Å; L440-K444 WeakPolarHBondContact O-CB 3.38Å; L440-K444 WeakPolarHBondContact O-CG 3.37Å; L440-K444 PolarHBondContact O-N 2.67Å
441D85.3Confident83.4Confident36 Ų3635.8 Ų35.819%0.19318%0.18CC..Hα-helixtrans-67.9-31.8177.8-105.411.4000112.9H59 F437 L439 K444 K445 R1304H59-D441 IonicContact CE1-OD1 3.81Å; H59-D441 PolarHBondContact CE1-OD1 3.07Å; H59-D441 IonicContact CE1-OD2 3.49Å; H59-D441 PolarHBondContact CE1-OD2 3.43Å; H59-D441 IonicContact ND1-OD1 3.1Å; H59-D441 IonicContact NE2-OD1 3.43Å; H59-D441 PolarHBondContact NE2-OD1 2.98Å; H59-D441 IonicContact NE2-OD2 2.67Å; H59-D441 PolarHBondContact NE2-OD2 2.83Å; F437-D441 PolarHBondContact O-N 3.47Å; F437-D441 VanDerWaalsContact O-N 3.07Å; L439-D441 VanDerWaalsContact C-N 3.34Å; L439-D441 PolarHBondContact O-N 2.7Å; D441-K444 IonicContact OD1-NZ 3.36Å; D441-K444 PolarHBondContact OD1-NZ 2.62Å; D441-K445 PolarHBondContact O-N 3.49Å; D441-R1304 IonicContact OD2-NH2 3.19Å; D441-R1304 PolarHBondContact OD2-NH2 3.22Å
442K85.6Confident83.7Confident67 Ų6734 Ų3429%0.29117%0.171SC..Hα-helixtrans-65.3-48.7167.6-77.5-172.5180175.50111.8M434 A438 L439 L440 K444 K445 E446M434-K442 HydrophobicContact CE-CD 4.16Å; M434-K442 HydrophobicContact SD-CD 3.62Å; M434-K442 WeakPolarHBondContact SD-CE 3.47Å; M434-K442 PolarHBondContact SD-NZ 2.74Å; A438-K442 PolarHBondContact O-N 3.49Å; A438-K442 VanDerWaalsContact O-N 3.1Å; L439-K442 PolarHBondContact O-N 3.07Å; L440-K442 PolarHBondContact O-N 3.47Å; K442-K444 VanDerWaalsContact C-N 3.32Å; K442-K444 PolarHBondContact O-N 3.18Å; K442-K445 PolarHBondContact O-N 3.15Å; K442-E446 WeakPolarHBondContact O-CB 3.22Å; K442-E446 PolarHBondContact O-N 3.42Å
443L89.8Confident84.1Confident9 Ų928 Ų285%0.04714%0.139CC..Hα-helixtrans-61.3-37.8179.2-70.1176.9000112.1I424 L439 L440 E446 E447 F1085 I1112I424-L443 HydrophobicContact CD1-CD2 4.33Å; I424-L443 HydrophobicContact CG2-CD2 4.25Å; L439-L443 HydrophobicContact CD1-CD1 4.33Å; L439-L443 HydrophobicContact CD1-CG 4.13Å; L439-L443 HydrophobicContact CG-CD1 4.14Å; L439-L443 HydrophobicContact CG-CG 4.38Å; L439-L443 WeakPolarHBondContact O-CG 3.39Å; L439-L443 PolarHBondContact O-N 3.48Å; L440-L443 PolarHBondContact O-N 2.63Å; L443-E446 PolarHBondContact O-N 3.07Å; L443-E447 VanDerWaalsContact O-CB 3.25Å; L443-E447 WeakPolarHBondContact O-CB 3.4Å; L443-E447 PolarHBondContact O-N 3.19Å; L443-F1085 HydrophobicContact CD2-CD1 4.29Å; L443-F1085 HydrophobicContact CD2-CE1 3.73Å; L443-F1085 HydrophobicContact CD2-CZ 4.31Å; L443-I1112 HydrophobicContact CD2-CD1 3.97Å
444K89.3Confident84.5Confident6 Ų625.4 Ų25.43%0.02613%0.126CC..Hα-helixtrans-63.2-38.5174.6-77.7166.360.6-160.60113.1F56 H59 E60 L127 Y137 L440 D441 K442 R448F56-K444 HydrophobicContact CE2-CD 4.42Å; H59-K444 PolarHBondContact CE1-NZ 3.06Å; H59-K444 VanDerWaalsContact CE1-NZ 3.28Å; H59-K444 PolarHBondContact ND1-NZ 3Å; E60-K444 WeakPolarHBondContact OE1-CE 3.46Å; L127-K444 HydrophobicContact CD1-CG 4.38Å; Y137-K444 PolarHBondContact OH-NZ 3.17Å; Y137-K444 VanDerWaalsContact OH-NZ 3.14Å; L440-K444 HydrophobicContact CD1-CD 4.09Å; L440-K444 HydrophobicContact CD1-CG 4.1Å; L440-K444 HydrophobicContact CG-CD 4.01Å; L440-K444 HydrophobicContact CG-CG 4.49Å; L440-K444 WeakPolarHBondContact O-CB 3.38Å; L440-K444 WeakPolarHBondContact O-CG 3.37Å; L440-K444 PolarHBondContact O-N 2.67Å; D441-K444 IonicContact OD1-NZ 3.36Å; D441-K444 PolarHBondContact OD1-NZ 2.62Å; K442-K444 VanDerWaalsContact C-N 3.32Å; K442-K444 PolarHBondContact O-N 3.18Å; K444-R448 WeakPolarHBondContact O-CG 3.49Å; K444-R448 PolarHBondContact O-N 3.09Å
445K85.2Confident84.6Confident122 Ų12227.2 Ų27.253%0.5314%0.136SC..Hα-helixtrans-70.6-47.3174.7-72.8-178.8178.6-173.80111.5D441 K442 E447 R448 L449D441-K445 PolarHBondContact O-N 3.49Å; K442-K445 PolarHBondContact O-N 3.15Å; K445-E447 VanDerWaalsContact C-N 3.33Å; K445-E447 PolarHBondContact O-N 2.86Å; K445-R448 WeakPolarHBondContact O-CB 3.45Å; K445-R448 PolarHBondContact O-N 3.28Å; K445-L449 PolarHBondContact O-N 3.21Å; K445-L449 VanDerWaalsContact O-N 3.11Å
446E86Confident84.4Confident4 Ų425.9 Ų25.92%0.01913%0.129CC..Hα-helixtrans-68.7-30.9-177-167.470.4-175.600112N425 M427 K442 L443 L449 L450 R1060 F1085N425-E446 VanDerWaalsContact CB-OE1 3.29Å; N425-E446 WeakPolarHBondContact CB-OE1 3.44Å; N425-E446 WeakPolarHBondContact ND2-CG 3.39Å; N425-E446 PolarHBondContact ND2-OE1 3.14Å; M427-E446 HydrophobicContact CE-CG 4.02Å; K442-E446 WeakPolarHBondContact O-CB 3.22Å; K442-E446 PolarHBondContact O-N 3.42Å; L443-E446 PolarHBondContact O-N 3.07Å; E446-L449 WeakPolarHBondContact O-CB 3.49Å; E446-L449 PolarHBondContact O-N 3.14Å; E446-L450 WeakPolarHBondContact O-CG 3.42Å; E446-L450 PolarHBondContact O-N 3.41Å; E446-R1060 VanDerWaalsContact CD-NH2 3.34Å; E446-R1060 IonicContact OE1-CZ 3.63Å; E446-R1060 IonicContact OE1-NH1 2.71Å; E446-R1060 PolarHBondContact OE1-NH1 3.42Å; E446-R1060 IonicContact OE1-NH2 3.57Å; E446-R1060 PolarHBondContact OE1-NH2 3.15Å; E446-R1060 VanDerWaalsContact OE1-NH2 3.08Å; E446-R1060 IonicContact OE2-CZ 3.72Å; E446-R1060 IonicContact OE2-NH1 3.75Å; E446-R1060 IonicContact OE2-NH2 2.75Å; E446-R1060 PolarHBondContact OE2-NH2 3.33Å; E446-F1085 HydrophobicContact CB-CE1 3.88Å; E446-F1085 HydrophobicContact CB-CZ 4.32Å; E446-F1085 HydrophobicContact CG-CD1 4.37Å; E446-F1085 HydrophobicContact CG-CE1 3.73Å; E446-F1085 HydrophobicContact CG-CZ 4.46Å
447E89Confident83.5Confident3 Ų326.6 Ų26.61%0.01414%0.14CC..Hα-helixtrans-63.5-43.9170.7-175.6-86.4174.100111.4S121 R124 L127 L443 K445 L449 L450 A451 F1085S121-E447 WeakPolarHBondContact CB-OE1 3.49Å; S121-E447 PolarHBondContact OG-OE1 3.38Å; R124-E447 VanDerWaalsContact CD-OE2 3.26Å; R124-E447 WeakPolarHBondContact CD-OE2 3.29Å; R124-E447 WeakPolarHBondContact CG-OE1 3.23Å; R124-E447 VanDerWaalsContact CG-OE2 3.32Å; R124-E447 WeakPolarHBondContact CG-OE2 3.41Å; R124-E447 IonicContact CZ-OE2 2.66Å; R124-E447 IonicContact NE-OE1 3.24Å; R124-E447 IonicContact NE-OE2 3.26Å; R124-E447 PolarHBondContact NE-OE2 3.16Å; R124-E447 IonicContact NH2-OE2 3.33Å; L127-E447 HydrophobicContact CD1-CB 4.1Å; L127-E447 HydrophobicContact CD1-CG 4.13Å; L443-E447 VanDerWaalsContact O-CB 3.25Å; L443-E447 WeakPolarHBondContact O-CB 3.4Å; L443-E447 PolarHBondContact O-N 3.19Å; K445-E447 VanDerWaalsContact C-N 3.33Å; K445-E447 PolarHBondContact O-N 2.86Å; E447-L449 VanDerWaalsContact C-N 3.25Å; E447-L449 PolarHBondContact O-N 2.96Å; E447-L450 PolarHBondContact O-N 2.97Å; E447-A451 WeakPolarHBondContact O-CB 3.24Å; E447-A451 PolarHBondContact O-N 3.09Å; E447-F1085 HydrophobicContact CB-CE2 3.97Å; E447-F1085 HydrophobicContact CB-CZ 3.81Å; E447-F1085 HydrophobicContact CG-CE2 4.33Å
448R86.2Confident82.5Confident58 Ų5826.1 Ų26.122%0.21914%0.137CC..Hα-helixtrans-62.2-35.3175.1-68.7179.2174-159.14.9111.9E60 R124 K444 K445 G452 Y1054E60-R448 PolarHBondContact O-NH2 2.89Å; E60-R448 IonicContact OE2-CZ 2.79Å; E60-R448 IonicContact OE2-NE 2.75Å; E60-R448 PolarHBondContact OE2-NE 2.99Å; E60-R448 IonicContact OE2-NH2 3.57Å; E60-R448 PolarHBondContact OE2-NH2 2.98Å; R124-R448 VanDerWaalsContact NH2-NE 3.1Å; K444-R448 WeakPolarHBondContact O-CG 3.49Å; K444-R448 PolarHBondContact O-N 3.09Å; K445-R448 WeakPolarHBondContact O-CB 3.45Å; K445-R448 PolarHBondContact O-N 3.28Å; R448-G452 PolarHBondContact O-N 3.24Å; R448-Y1054 HydrophobicContact CB-CD1 4.32Å; R448-Y1054 HydrophobicContact CB-CD2 3.61Å; R448-Y1054 HydrophobicContact CB-CE1 4.36Å; R448-Y1054 HydrophobicContact CB-CE2 3.62Å; R448-Y1054 HydrophobicContact CB-CG 3.99Å; R448-Y1054 HydrophobicContact CG-CE2 4.43Å; R448-Y1054 PolarHBondContact NH1-OH 2.92Å
449L84.1Confident81.1Confident0 Ų029.2 Ų29.20%014%0.142CC..Hα-helixtrans-68-53.2176.8-177.2133.7000111.2K445 E446 E447 G452 F453 L484 L1051 A1055K445-L449 PolarHBondContact O-N 3.21Å; K445-L449 VanDerWaalsContact O-N 3.11Å; E446-L449 WeakPolarHBondContact O-CB 3.49Å; E446-L449 PolarHBondContact O-N 3.14Å; E447-L449 VanDerWaalsContact C-N 3.25Å; E447-L449 PolarHBondContact O-N 2.96Å; L449-G452 PolarHBondContact O-N 2.78Å; L449-F453 HydrophobicContact CD2-CD2 4.06Å; L449-F453 HydrophobicContact CD2-CE2 3.91Å; L449-F453 HydrophobicContact CG-CD2 4.24Å; L449-F453 HydrophobicContact CG-CE2 4Å; L449-F453 VanDerWaalsContact O-CD2 3.25Å; L449-F453 WeakPolarHBondContact O-CD2 3.39Å; L449-F453 PolarHBondContact O-N 2.99Å; L449-L484 HydrophobicContact CD2-CD2 4.21Å; L449-L1051 HydrophobicContact CD1-CD2 4.16Å; L449-A1055 HydrophobicContact CD1-CB 3.89Å
450L82.1Confident79.2Confident23 Ų2330.2 Ų30.212%0.1215%0.148CC..Hα-helixtrans-63.9-41.2177.8-68.9175.8000112.5N425 E446 E447 G452 F453 F454 A1083 T1084 F1085N425-L450 VanDerWaalsContact ND2-CD1 3.31Å; N425-L450 WeakPolarHBondContact ND2-CD1 3.35Å; E446-L450 WeakPolarHBondContact O-CG 3.42Å; E446-L450 PolarHBondContact O-N 3.41Å; E447-L450 PolarHBondContact O-N 2.97Å; L450-G452 VanDerWaalsContact C-N 3.3Å; L450-G452 PolarHBondContact O-N 2.94Å; L450-F453 PolarHBondContact O-N 2.93Å; L450-F454 WeakPolarHBondContact O-CB 3.27Å; L450-F454 PolarHBondContact O-N 3.26Å; L450-A1083 HydrophobicContact CB-CB 3.92Å; L450-T1084 WeakPolarHBondContact CD1-O 3.22Å; L450-F1085 HydrophobicContact CD1-CB 4.24Å; L450-F1085 HydrophobicContact CD1-CD1 3.78Å; L450-F1085 HydrophobicContact CD1-CD2 3.62Å; L450-F1085 HydrophobicContact CD1-CE1 4.06Å; L450-F1085 HydrophobicContact CD1-CE2 3.9Å; L450-F1085 HydrophobicContact CD1-CG 3.57Å; L450-F1085 HydrophobicContact CD1-CZ 4.12Å
451A82.3Confident77Confident20 Ų2032.7 Ų32.717%0.16516%0.161CC..Hα-helixtrans-61.8-38.4173.800000111.4E447 F454 D455 A1083E447-A451 WeakPolarHBondContact O-CB 3.24Å; E447-A451 PolarHBondContact O-N 3.09Å; A451-F454 PolarHBondContact O-N 3.32Å; A451-D455 WeakPolarHBondContact O-CB 3.3Å; A451-D455 VanDerWaalsContact O-CG 3.29Å; A451-D455 PolarHBondContact O-N 3.16Å; A451-A1083 HydrophobicContact CB-CB 4.41Å
452G80.1Confident74.9Confident2 Ų231.6 Ų31.62%0.02116%0.159CC..Hα-helixtrans-64.3-37.3173.500000113.6R448 L449 L450 M456 T802 L1050R448-G452 PolarHBondContact O-N 3.24Å; L449-G452 PolarHBondContact O-N 2.78Å; L450-G452 VanDerWaalsContact C-N 3.3Å; L450-G452 PolarHBondContact O-N 2.94Å; G452-M456 WeakPolarHBondContact O-CE 3.45Å; G452-M456 WeakPolarHBondContact O-CG 3.46Å; G452-M456 PolarHBondContact O-N 3.46Å; G452-T802 VanDerWaalsContact CA-CG2 3.47Å; G452-L1050 VanDerWaalsContact C-CD2 3.43Å
453F79.4Confident72.9Confident11 Ų1134 Ų345%0.04817%0.166CC..Hα-helixtrans-67.8-41.8171.8-80.6-71.6000111.8L449 L450 M456 G457 F458 L483 L484 V1047 L1050 L1051L449-F453 HydrophobicContact CD2-CD2 4.06Å; L449-F453 HydrophobicContact CD2-CE2 3.91Å; L449-F453 HydrophobicContact CG-CD2 4.24Å; L449-F453 HydrophobicContact CG-CE2 4Å; L449-F453 VanDerWaalsContact O-CD2 3.25Å; L449-F453 WeakPolarHBondContact O-CD2 3.39Å; L449-F453 PolarHBondContact O-N 2.99Å; L450-F453 PolarHBondContact O-N 2.93Å; F453-M456 HydrophobicContact CD1-CE 3.68Å; F453-M456 HydrophobicContact CE1-CE 4.04Å; F453-M456 HydrophobicContact CG-CE 4.24Å; F453-M456 PolarHBondContact O-N 2.85Å; F453-G457 PolarHBondContact O-N 2.66Å; F453-F458 HydrophobicContact CB-CB 4.2Å; F453-F458 HydrophobicContact CB-CD2 4.4Å; F453-F458 AromaticContact CD1-CD2 3.7Å; F453-F458 HydrophobicContact CD1-CD2 3.7Å; F453-F458 HydrophobicContact CD1-CE2 4.13Å; F453-F458 HydrophobicContact CD1-CG 4.2Å; F453-F458 WeakPolarHBondContact O-CB 3.49Å; F453-F458 WeakPolarHBondContact O-CD2 3.45Å; F453-F458 PolarHBondContact O-N 3.21Å; F453-L483 HydrophobicContact CE1-CD2 4.08Å; F453-L483 HydrophobicContact CZ-CD2 4.12Å; F453-L484 HydrophobicContact CE2-CD2 4.2Å; F453-L484 HydrophobicContact CZ-CD2 4.48Å; F453-V1047 HydrophobicContact CE1-CG1 4Å; F453-V1047 HydrophobicContact CE1-CG2 4.17Å; F453-V1047 HydrophobicContact CZ-CG1 4.21Å; F453-L1050 HydrophobicContact CD1-CD2 4.47Å; F453-L1050 HydrophobicContact CD2-CD2 3.87Å; F453-L1050 HydrophobicContact CE2-CD2 4.01Å; F453-L1050 HydrophobicContact CG-CD2 4.1Å; F453-L1050 HydrophobicContact CZ-CD2 4.38Å; F453-L1051 HydrophobicContact CE2-CD2 4.1Å; F453-L1051 HydrophobicContact CZ-CD2 3.96Å; F453-L1051 HydrophobicContact CZ-CG 4.17Å
454F77.3Confident70.4Confident44 Ų4440.2 Ų40.219%0.19320%0.195CC..Hα-helixtrans-63.5-45.5177.2-172.9-89.2000112.4L450 A451 M456 G457 M1081 S1082 A1083L450-F454 WeakPolarHBondContact O-CB 3.27Å; L450-F454 PolarHBondContact O-N 3.26Å; A451-F454 PolarHBondContact O-N 3.32Å; F454-M456 VanDerWaalsContact C-N 3.28Å; F454-M456 PolarHBondContact O-N 2.88Å; F454-G457 WeakPolarHBondContact O-CA 3.36Å; F454-G457 PolarHBondContact O-N 3.06Å; F454-M1081 VanDerWaalsContact CZ-C 3.45Å; F454-M1081 VanDerWaalsContact CZ-O 3.3Å; F454-M1081 WeakPolarHBondContact CZ-O 3.36Å; F454-S1082 WeakPolarHBondContact CE2-O 3.31Å; F454-A1083 HydrophobicContact CB-CB 4.15Å
455D76.5Confident67.6Low56 Ų5647.1 Ų47.130%0.29923%0.232SC..Hα-helixtrans-52.5-44.1171.9-82-1.7000111.4A451 G457 T802 K838A451-D455 WeakPolarHBondContact O-CB 3.3Å; A451-D455 VanDerWaalsContact O-CG 3.29Å; A451-D455 PolarHBondContact O-N 3.16Å; D455-G457 PolarHBondContact O-N 3.05Å; D455-T802 CarbonylContact C-O 3.06Å; D455-T802 WeakPolarHBondContact CB-O 3.26Å; D455-T802 WeakPolarHBondContact OD2-CB 3.46Å; D455-T802 PolarHBondContact OD2-OG1 3.01Å; D455-K838 IonicContact OD1-NZ 3.48Å; D455-K838 IonicContact OD2-NZ 3.81Å; D455-K838 PolarHBondContact OD2-NZ 2.86Å
456M75.1Confident65Low4 Ų447.1 Ų47.12%0.0224%0.235CC..THydrogen-bonded Turntrans-72-2.9177.4-71.4-172.9-61.500114.1G452 F453 F454 F458 V804 R1046 V1047 L1050G452-M456 WeakPolarHBondContact O-CE 3.45Å; G452-M456 WeakPolarHBondContact O-CG 3.46Å; G452-M456 PolarHBondContact O-N 3.46Å; F453-M456 HydrophobicContact CD1-CE 3.68Å; F453-M456 HydrophobicContact CE1-CE 4.04Å; F453-M456 HydrophobicContact CG-CE 4.24Å; F453-M456 PolarHBondContact O-N 2.85Å; F454-M456 VanDerWaalsContact C-N 3.28Å; F454-M456 PolarHBondContact O-N 2.88Å; M456-F458 HydrophobicContact CB-CD2 3.87Å; M456-F458 HydrophobicContact CB-CE2 3.98Å; M456-F458 HydrophobicContact CE-CD2 4.18Å; M456-F458 HydrophobicContact CE-CE2 4.02Å; M456-V804 HydrophobicContact CB-CG2 4.45Å; M456-V804 HydrophobicContact CG-CG2 4.19Å; M456-R1046 HydrophobicContact SD-CB 3.5Å; M456-R1046 WeakPolarHBondContact SD-CB 3.25Å; M456-V1047 HydrophobicContact CE-CG2 3.9Å; M456-V1047 HydrophobicContact SD-CG2 4.25Å; M456-L1050 HydrophobicContact CE-CD2 3.55Å
457G68.7Low62.3Low29 Ų2956.1 Ų56.130%0.29928%0.277SS..THydrogen-bonded Turntrans94.15.4178.500000115.5F453 F454 D455 R459F453-G457 PolarHBondContact O-N 2.66Å; F454-G457 WeakPolarHBondContact O-CA 3.36Å; F454-G457 PolarHBondContact O-N 3.06Å; D455-G457 PolarHBondContact O-N 3.05Å; G457-R459 PolarHBondContact O-N 2.87Å
458F67.7Low59.5Low11 Ų1164.1 Ų64.15%0.04832%0.318CS..  trans-75.594.5173.6-64.2-79.8000110.3F453 M456 T480 W1031 L1043 V1047F453-F458 HydrophobicContact CB-CB 4.2Å; F453-F458 HydrophobicContact CB-CD2 4.4Å; F453-F458 AromaticContact CD1-CD2 3.7Å; F453-F458 HydrophobicContact CD1-CD2 3.7Å; F453-F458 HydrophobicContact CD1-CE2 4.13Å; F453-F458 HydrophobicContact CD1-CG 4.2Å; F453-F458 WeakPolarHBondContact O-CB 3.49Å; F453-F458 WeakPolarHBondContact O-CD2 3.45Å; F453-F458 PolarHBondContact O-N 3.21Å; M456-F458 HydrophobicContact CB-CD2 3.87Å; M456-F458 HydrophobicContact CB-CE2 3.98Å; M456-F458 HydrophobicContact CE-CD2 4.18Å; M456-F458 HydrophobicContact CE-CE2 4.02Å; F458-T480 HydrophobicContact CB-CG2 4.02Å; F458-T480 HydrophobicContact CD1-CG2 3.82Å; F458-T480 HydrophobicContact CG-CG2 4.13Å; F458-W1031 HydrophobicContact CD1-CH2 4.44Å; F458-W1031 AromaticContact CE1-CE3 3.97Å; F458-W1031 HydrophobicContact CE1-CE3 3.97Å; F458-W1031 AromaticContact CE1-CH2 3.52Å; F458-W1031 HydrophobicContact CE1-CH2 3.52Å; F458-W1031 HydrophobicContact CE1-CZ2 4.25Å; F458-W1031 AromaticContact CE1-CZ3 3.36Å; F458-W1031 HydrophobicContact CE1-CZ3 3.36Å; F458-W1031 HydrophobicContact CZ-CE3 4.33Å; F458-W1031 AromaticContact CZ-CH2 4Å; F458-W1031 HydrophobicContact CZ-CH2 4Å; F458-W1031 AromaticContact CZ-CZ3 3.57Å; F458-W1031 HydrophobicContact CZ-CZ3 3.57Å; F458-L1043 HydrophobicContact CE2-CD1 3.95Å; F458-L1043 HydrophobicContact CZ-CD1 3.95Å; F458-L1043 HydrophobicContact CZ-CD2 4.19Å; F458-L1043 HydrophobicContact CZ-CG 4.33Å; F458-V1047 HydrophobicContact CE2-CG2 4.07Å; F458-V1047 HydrophobicContact CZ-CG2 4.28Å
459R55.6Low56.7Low100 Ų10063.7 Ų63.738%0.37733%0.327SS..  trans-87.6116.9-177.2-73.5-173.9176.5-130-8.9112.1G457 N461G457-R459 PolarHBondContact O-N 2.87Å; R459-N461 WeakPolarHBondContact CB-OD1 3.49Å
460V47.2Very low54.2Low26 Ų2666.1 Ų66.116%0.15834%0.344CS..  trans-96.2112.6163.51780000106.6Q477 T1084V460-Q477 HydrophobicContact CG1-CG 4.12Å; V460-Q477 HydrophobicContact CG2-CG 4.43Å; V460-T1084 HydrophobicContact CG1-CG2 4.47Å
461N45.4Very low51.9Low56 Ų5673.9 Ų73.930%0.29938%0.377SS..  trans-130.4123.1-175.8-88.399.7000111.3R459 M1080R459-N461 WeakPolarHBondContact CB-OD1 3.49Å; N461-M1080 PolarHBondContact ND2-O 3.46Å
462G40.9Very low49.4Very low13 Ų1376.5 Ų76.513%0.13439%0.391CS..  trans-60.3154.7-176.800000114.8Q464G462-Q464 VanDerWaalsContact C-N 3.25Å; G462-Q464 PolarHBondContact O-N 3.09Å
463R44.2Very low47.1Very low117 Ų11781.3 Ų81.344%0.44241%0.411SS..THydrogen-bonded Turntrans-71.89-158.1-51.3-173.8-164.9142.916.9117.3N465 D1074R463-N465 PolarHBondContact O-N 2.85Å; R463-D1074 IonicContact CZ-OD2 2.79Å; R463-D1074 IonicContact NH1-OD2 3.7Å; R463-D1074 PolarHBondContact NH1-OD2 3.42Å; R463-D1074 IonicContact NH2-OD2 2.67Å; R463-D1074 PolarHBondContact NH2-OD2 2.85Å
464Q36.2Very low44.9Very low140 Ų14085.1 Ų85.165%0.65443%0.432SS*.THydrogen-bonded Turntrans-79.8-16.9-161.9-79.2-174.5-10.900117.2G462 L1076 M1080G462-Q464 VanDerWaalsContact C-N 3.25Å; G462-Q464 PolarHBondContact O-N 3.09Å; Q464-L1076 HydrophobicContact CG-CD1 3.75Å; Q464-M1080 HydrophobicContact CB-CE 4.47Å
465N30.3Very low43Very low151 Ų15188.4 Ų88.481%0.80745%0.446SS*.SBendtrans-116.277.7178.2-85.9-40.8000111.8R463R463-N465 PolarHBondContact O-N 2.85Å
466M30.5Very low41.2Very low121 Ų12186.8 Ų86.860%0.59644%0.438SS*.  trans-124.690.9-172.8-162.7-179.778.800113.4
467Q30.8Very low39.7Very low193 Ų19388.2 Ų88.290%0.90245%0.445SS*.SBendtrans-128.8-29160.7-80.8-167.2-18.500114.8
468I29.3Very low38.9Very low171 Ų17192.7 Ų92.788%0.87746%0.456SS*.SBendtrans-125.5-20.1-176.9-59.4-178.6000113.8
469A28.1Very low38.3Very low49 Ų4993.2 Ų93.241%0.40546%0.459SS..  trans-97.97-170.900000116.1F471 F473A469-F471 PolarHBondContact O-N 3.12Å; A469-F473 HydrophobicContact CB-CD2 3.92Å; A469-F473 HydrophobicContact CB-CE2 4.07Å
470S31.8Very low38.3Very low51 Ų5189.2 Ų89.236%0.35745%0.445SS..Hα-helixtrans-52.8-49.8-162-179.20000115.4V472S470-V472 PolarHBondContact O-N 2.74Å
471F31.8Very low38.8Very low186 Ų18689.4 Ų89.482%0.81645%0.445SS*.Hα-helixtrans-73.2-25.3-166-124.9-87.6000115.5A469A469-F471 PolarHBondContact O-N 3.12Å
472V30.4Very low39.4Very low76 Ų7688.2 Ų88.246%0.46144%0.441SS..Hα-helixtrans-99-31.1-166.5-160.60000112.6S470 F475 I812S470-V472 PolarHBondContact O-N 2.74Å; V472-F475 WeakPolarHBondContact O-CB 3.25Å; V472-I812 HydrophobicContact CB-CG2 4.35Å; V472-I812 HydrophobicContact CG1-CB 4.36Å; V472-I812 HydrophobicContact CG1-CD1 3.92Å; V472-I812 HydrophobicContact CG1-CG1 3.77Å; V472-I812 HydrophobicContact CG1-CG2 3.83Å
473F31.5Very low40.4Very low102 Ų10287.6 Ų87.645%0.44743%0.434SS..Hα-helixtrans-83.4-33.2-179.5-72.8-88.4000113.2A469 F475 V476 I812A469-F473 HydrophobicContact CB-CD2 3.92Å; A469-F473 HydrophobicContact CB-CE2 4.07Å; F473-F475 PolarHBondContact O-N 3.48Å; F473-V476 PolarHBondContact O-N 3.06Å; F473-I812 HydrophobicContact CD2-CG2 4.5Å; F473-I812 HydrophobicContact CE1-CG2 4.23Å; F473-I812 HydrophobicContact CE2-CG2 3.75Å; F473-I812 HydrophobicContact CZ-CG2 3.6Å
474L33.3Very low41.2Very low92 Ų9282.7 Ų82.748%0.48242%0.417SS..Hα-helixtrans-61.2-22.4171.1-116.2165.9000112.8
475F37.2Very low42.1Very low113 Ų11380.2 Ų80.250%0.49640%0.402SS..Hα-helixtrans-70.1-49.7176.9-138.7-107.8000111.2V472 F473 Q477 K478 E479V472-F475 WeakPolarHBondContact O-CB 3.25Å; F473-F475 PolarHBondContact O-N 3.48Å; F475-Q477 PolarHBondContact O-N 2.81Å; F475-K478 PolarHBondContact O-N 2.93Å; F475-E479 HydrophobicContact CD1-CG 4.38Å; F475-E479 WeakPolarHBondContact CD1-OE2 3.23Å; F475-E479 VanDerWaalsContact CE1-CD 3.45Å; F475-E479 WeakPolarHBondContact CE1-OE1 3.42Å; F475-E479 VanDerWaalsContact CE1-OE2 3.31Å; F475-E479 WeakPolarHBondContact CE1-OE2 3.37Å; F475-E479 WeakPolarHBondContact O-CB 3.27Å; F475-E479 WeakPolarHBondContact O-CG 3.21Å; F475-E479 PolarHBondContact O-N 2.78Å
476V39.5Very low43.3Very low21 Ų2178.1 Ų78.113%0.12738%0.383CS..Hα-helixtrans-61-45.7-173.9-177.90000112.5F473 E479 T480 I812F473-V476 PolarHBondContact O-N 3.06Å; V476-E479 PolarHBondContact O-N 2.94Å; V476-T480 PolarHBondContact O-N 3.05Å; V476-T480 PolarHBondContact O-OG1 2.74Å; V476-I812 HydrophobicContact CG2-CD1 3.5Å
477Q44.2Very low44.7Very low35 Ų3573 Ų7316%0.16436%0.358CS..Hα-helixtrans-65.4-46.1178.7-178.6174.22.800111.6V460 F475 E479 T480 Q481V460-Q477 HydrophobicContact CG1-CG 4.12Å; V460-Q477 HydrophobicContact CG2-CG 4.43Å; F475-Q477 PolarHBondContact O-N 2.81Å; Q477-E479 PolarHBondContact O-N 2.89Å; Q477-T480 PolarHBondContact O-N 3Å; Q477-T480 PolarHBondContact O-OG1 3.47Å; Q477-Q481 WeakPolarHBondContact O-CB 3.37Å; Q477-Q481 WeakPolarHBondContact O-CG 3.48Å; Q477-Q481 PolarHBondContact O-N 3.17Å
478K50.9Low45.8Very low123 Ų12364.7 Ų64.754%0.53532%0.321SS..Hα-helixtrans-60.3-32.6175.1-81.8-170.7171.4-173.80112.4F475 S482F475-K478 PolarHBondContact O-N 2.93Å; K478-S482 WeakPolarHBondContact O-CB 3.49Å; K478-S482 PolarHBondContact O-N 3.29Å
479E54.4Low46.8Very low21 Ų2159 Ų5910%0.09830%0.297CS..Hα-helixtrans-83.5-29.1-179.8-70.7-172.9123.200114.1F475 V476 Q477 L483 W1031F475-E479 HydrophobicContact CD1-CG 4.38Å; F475-E479 WeakPolarHBondContact CD1-OE2 3.23Å; F475-E479 VanDerWaalsContact CE1-CD 3.45Å; F475-E479 WeakPolarHBondContact CE1-OE1 3.42Å; F475-E479 VanDerWaalsContact CE1-OE2 3.31Å; F475-E479 WeakPolarHBondContact CE1-OE2 3.37Å; F475-E479 WeakPolarHBondContact O-CB 3.27Å; F475-E479 WeakPolarHBondContact O-CG 3.21Å; F475-E479 PolarHBondContact O-N 2.78Å; V476-E479 PolarHBondContact O-N 2.94Å; Q477-E479 PolarHBondContact O-N 2.89Å; E479-L483 WeakPolarHBondContact O-CB 3.37Å; E479-L483 PolarHBondContact O-N 3.28Å; E479-W1031 HydrophobicContact CB-CZ2 4.02Å; E479-W1031 PolarHBondContact OE2-NE1 3.49Å
480T55.7Low47.8Very low16 Ų1660.9 Ų60.910%0.09830%0.297CS..Hα-helixtrans-69.2-41.7166.950.30000111.6F458 V476 Q477 L483 L484F458-T480 HydrophobicContact CB-CG2 4.02Å; F458-T480 HydrophobicContact CD1-CG2 3.82Å; F458-T480 HydrophobicContact CG-CG2 4.13Å; V476-T480 PolarHBondContact O-N 3.05Å; V476-T480 PolarHBondContact O-OG1 2.74Å; Q477-T480 PolarHBondContact O-N 3Å; Q477-T480 PolarHBondContact O-OG1 3.47Å; T480-L483 PolarHBondContact O-N 3.16Å; T480-L484 WeakPolarHBondContact O-CB 3.44Å; T480-L484 WeakPolarHBondContact O-CG 3.4Å; T480-L484 PolarHBondContact O-N 2.87Å
481Q58.6Low48.5Very low31 Ų3161.6 Ų61.615%0.14530%0.299CS..Hα-helixtrans-56.6-51.1169.7-70.2166.5-9.400111.5Q477 L483 L484 Y485 W1062 E1086Q477-Q481 WeakPolarHBondContact O-CB 3.37Å; Q477-Q481 WeakPolarHBondContact O-CG 3.48Å; Q477-Q481 PolarHBondContact O-N 3.17Å; Q481-L483 PolarHBondContact O-N 3.11Å; Q481-L484 PolarHBondContact O-N 3.49Å; Q481-Y485 VanDerWaalsContact O-CB 3.29Å; Q481-Y485 WeakPolarHBondContact O-CB 3.45Å; Q481-Y485 PolarHBondContact O-N 2.79Å; Q481-W1062 HydrophobicContact CB-CD2 4.18Å; Q481-W1062 HydrophobicContact CB-CH2 4.45Å; Q481-W1062 HydrophobicContact CB-CZ2 3.92Å; Q481-W1062 HydrophobicContact CG-CD2 4.21Å; Q481-W1062 HydrophobicContact CG-CE3 4.24Å; Q481-W1062 HydrophobicContact CG-CH2 3.87Å; Q481-W1062 HydrophobicContact CG-CZ2 3.86Å; Q481-W1062 HydrophobicContact CG-CZ3 4.08Å; Q481-W1062 PolarHBondContact O-NE1 2.8Å; Q481-E1086 PolarHBondContact NE2-OE1 2.71Å; Q481-E1086 PolarHBondContact NE2-OE2 3.2Å
482S58Low49.2Very low31 Ų3156.8 Ų56.822%0.21729%0.289CS..Hα-helixtrans-65.4-34.8-179.5-174.40000112.5K478 R486 Q1027K478-S482 WeakPolarHBondContact O-CB 3.49Å; K478-S482 PolarHBondContact O-N 3.29Å; S482-R486 VanDerWaalsContact O-CB 3.27Å; S482-R486 WeakPolarHBondContact O-CB 3.5Å; S482-R486 WeakPolarHBondContact O-CD 3.46Å; S482-R486 WeakPolarHBondContact O-CG 3.33Å; S482-R486 PolarHBondContact O-N 2.75Å; S482-R486 PolarHBondContact OG-NE 3.34Å; S482-R486 VanDerWaalsContact OG-NE 3.13Å; S482-Q1027 PolarHBondContact OG-NE2 2.75Å
483L62.2Low50.2Low0 Ų057.4 Ų57.40%030%0.296CS..Hα-helixtrans-64.8-53.3171.7-179.5112.4000110.7F453 E479 T480 Q481 Y485 R486 I487 I1024 Q1027 W1031 V1047F453-L483 HydrophobicContact CE1-CD2 4.08Å; F453-L483 HydrophobicContact CZ-CD2 4.12Å; E479-L483 WeakPolarHBondContact O-CB 3.37Å; E479-L483 PolarHBondContact O-N 3.28Å; T480-L483 PolarHBondContact O-N 3.16Å; Q481-L483 PolarHBondContact O-N 3.11Å; L483-Y485 VanDerWaalsContact C-N 3.29Å; L483-Y485 PolarHBondContact O-N 2.83Å; L483-R486 PolarHBondContact O-N 2.72Å; L483-I487 HydrophobicContact CD1-CD1 4.27Å; L483-I487 HydrophobicContact CD2-CD1 4.07Å; L483-I487 HydrophobicContact CG-CD1 3.73Å; L483-I487 WeakPolarHBondContact O-CB 3.48Å; L483-I487 WeakPolarHBondContact O-CG1 3.42Å; L483-I487 PolarHBondContact O-N 3.45Å; L483-I1024 HydrophobicContact CD1-CB 4.41Å; L483-I1024 HydrophobicContact CD1-CG1 4.19Å; L483-I1024 HydrophobicContact CD1-CG2 4.49Å; L483-Q1027 HydrophobicContact CD1-CB 4.07Å; L483-Q1027 HydrophobicContact CD1-CG 4.02Å; L483-W1031 HydrophobicContact CD1-CH2 4.04Å; L483-V1047 HydrophobicContact CD2-CG1 3.83Å
484L60.7Low51.1Low14 Ų1454 Ų547%0.07329%0.286CS..Hα-helixtrans-58.4-40.6176.9-74.7168.2000112.2L449 F453 T480 Q481 S488 L1051 W1062L449-L484 HydrophobicContact CD2-CD2 4.21Å; F453-L484 HydrophobicContact CE2-CD2 4.2Å; F453-L484 HydrophobicContact CZ-CD2 4.48Å; T480-L484 WeakPolarHBondContact O-CB 3.44Å; T480-L484 WeakPolarHBondContact O-CG 3.4Å; T480-L484 PolarHBondContact O-N 2.87Å; Q481-L484 PolarHBondContact O-N 3.49Å; L484-S488 WeakPolarHBondContact O-CB 3.48Å; L484-S488 PolarHBondContact O-N 2.96Å; L484-S488 PolarHBondContact O-OG 2.82Å; L484-L1051 HydrophobicContact CD2-CD2 3.6Å; L484-W1062 HydrophobicContact CD1-CZ2 4.49Å
485Y55Low52.6Low88 Ų8853.4 Ų53.435%0.34528%0.279SS..Hα-helixtrans-61.4-60.3176.7-177.3-115.2000111.9Q481 L483 I487 S488 S489 R1060 W1062Q481-Y485 VanDerWaalsContact O-CB 3.29Å; Q481-Y485 WeakPolarHBondContact O-CB 3.45Å; Q481-Y485 PolarHBondContact O-N 2.79Å; L483-Y485 VanDerWaalsContact C-N 3.29Å; L483-Y485 PolarHBondContact O-N 2.83Å; Y485-I487 VanDerWaalsContact C-N 3.26Å; Y485-I487 PolarHBondContact O-N 3.3Å; Y485-S488 PolarHBondContact O-N 3.16Å; Y485-S488 PolarHBondContact O-OG 2.93Å; Y485-S489 PolarHBondContact O-N 3.07Å; Y485-S489 PolarHBondContact O-OG 3.45Å; Y485-R1060 VanDerWaalsContact CD2-O 3.28Å; Y485-R1060 WeakPolarHBondContact CD2-O 3.5Å; Y485-R1060 WeakPolarHBondContact CE2-O 3.13Å; Y485-W1062 AromaticContact CD2-CD1 3.93Å; Y485-W1062 AromaticContact CG-CD1 4Å
486R55.9Low54.3Low106 Ų10648.7 Ų48.740%0.426%0.258SS..Hα-helixtrans-61.2-36.6-175.5-71.3166.9-177.6-99.1-7.4112S482 L483 S489 E490 V1023S482-R486 VanDerWaalsContact O-CB 3.27Å; S482-R486 WeakPolarHBondContact O-CB 3.5Å; S482-R486 WeakPolarHBondContact O-CD 3.46Å; S482-R486 WeakPolarHBondContact O-CG 3.33Å; S482-R486 PolarHBondContact O-N 2.75Å; S482-R486 PolarHBondContact OG-NE 3.34Å; S482-R486 VanDerWaalsContact OG-NE 3.13Å; L483-R486 PolarHBondContact O-N 2.72Å; R486-S489 VanDerWaalsContact CA-OG 3.32Å; R486-S489 WeakPolarHBondContact CA-OG 3.47Å; R486-S489 PolarHBondContact O-N 2.9Å; R486-S489 PolarHBondContact O-OG 2.9Å; R486-E490 PolarHBondContact O-N 2.9Å; R486-E490 VanDerWaalsContact O-N 3.12Å; R486-V1023 HydrophobicContact CB-CG1 3.56Å
487I58.7Low56Low13 Ų1347.7 Ų47.77%0.06725%0.252CS..Hα-helixtrans-65.1-52.1172.9-66.6172.5000109.3L483 Y485 S489 E490 T491 V1023 I1024 L1051L483-I487 HydrophobicContact CD1-CD1 4.27Å; L483-I487 HydrophobicContact CD2-CD1 4.07Å; L483-I487 HydrophobicContact CG-CD1 3.73Å; L483-I487 WeakPolarHBondContact O-CB 3.48Å; L483-I487 WeakPolarHBondContact O-CG1 3.42Å; L483-I487 PolarHBondContact O-N 3.45Å; Y485-I487 VanDerWaalsContact C-N 3.26Å; Y485-I487 PolarHBondContact O-N 3.3Å; I487-S489 PolarHBondContact O-N 3.23Å; I487-E490 CarbonylContact O-C 3.53Å; I487-E490 PolarHBondContact O-N 3Å; I487-T491 HydrophobicContact CG2-CG2 3.52Å; I487-T491 WeakPolarHBondContact O-CB 3.3Å; I487-T491 WeakPolarHBondContact O-CG2 3.25Å; I487-T491 PolarHBondContact O-N 2.67Å; I487-T491 PolarHBondContact O-OG1 2.66Å; I487-V1023 HydrophobicContact CG1-CB 4.17Å; I487-V1023 HydrophobicContact CG1-CG1 4.03Å; I487-I1024 HydrophobicContact CD1-CD1 3.92Å; I487-I1024 HydrophobicContact CD1-CG1 3.43Å; I487-I1024 VanDerWaalsContact CD1-CG1 3.43Å; I487-I1024 HydrophobicContact CG1-CG1 4.36Å; I487-L1051 HydrophobicContact CD1-CD1 3.42Å; I487-L1051 VanDerWaalsContact CD1-CD1 3.42Å; I487-L1051 HydrophobicContact CG2-CD1 4.4Å
488S54Low57.6Low19 Ų1946 Ų4613%0.13325%0.245CC..Hα-helixtrans-60-21.8178.577.80000114.8L484 Y485 R1060L484-S488 WeakPolarHBondContact O-CB 3.48Å; L484-S488 PolarHBondContact O-N 2.96Å; L484-S488 PolarHBondContact O-OG 2.82Å; Y485-S488 PolarHBondContact O-N 3.16Å; Y485-S488 PolarHBondContact O-OG 2.93Å; S488-R1060 WeakPolarHBondContact OG-CB 3.29Å; S488-R1060 PolarHBondContact OG-N 3.26Å
489S50.5Low58.8Low53 Ų5341.6 Ų41.637%0.37123%0.227SC..Hα-helixtrans-87.2-19.4173.258.70000114.9Y485 R486 I487Y485-S489 PolarHBondContact O-N 3.07Å; Y485-S489 PolarHBondContact O-OG 3.45Å; R486-S489 VanDerWaalsContact CA-OG 3.32Å; R486-S489 WeakPolarHBondContact CA-OG 3.47Å; R486-S489 PolarHBondContact O-N 2.9Å; R486-S489 PolarHBondContact O-OG 2.9Å; I487-S489 PolarHBondContact O-N 3.23Å
490E50.6Low59.7Low88 Ų8840.6 Ų40.641%0.41122%0.222SC..Hα-helixtrans-104.3-22.4177.7-72.4-175.3-146.400113R486 I487 S492 V1023R486-E490 PolarHBondContact O-N 2.9Å; R486-E490 VanDerWaalsContact O-N 3.12Å; I487-E490 CarbonylContact O-C 3.53Å; I487-E490 PolarHBondContact O-N 3Å; E490-S492 PolarHBondContact O-N 3.26Å; E490-V1023 HydrophobicContact CG-CG2 4.37Å; E490-V1023 WeakPolarHBondContact OE1-CG2 3.35Å; E490-V1023 WeakPolarHBondContact OE2-CG2 3.29Å
491T46.3Very low60.5Low65 Ų6542 Ų4240%0.39923%0.23SC..  trans-81.77176.458.20000114.1I487 S493I487-T491 HydrophobicContact CG2-CG2 3.52Å; I487-T491 WeakPolarHBondContact O-CB 3.3Å; I487-T491 WeakPolarHBondContact O-CG2 3.25Å; I487-T491 PolarHBondContact O-N 2.67Å; I487-T491 PolarHBondContact O-OG1 2.66Å; T491-S493 PolarHBondContact O-N 2.83Å
492S46.3Very low61Low85 Ų8547 Ų4759%0.59425%0.254SS*.SBendtrans-54.4123.8164.446.60000108.5E490 S494E490-S492 PolarHBondContact O-N 3.26Å; S492-S494 PolarHBondContact O-N 2.69Å
493S50.5Low61.4Low89 Ų8948.3 Ų48.362%0.62225%0.254SS*.  trans-42.499.1-158.460.90000113.6T491 K495T491-S493 PolarHBondContact O-N 2.83Å; S493-K495 PolarHBondContact O-N 3.16Å
494S51.4Low61.4Low32 Ų3250 Ų5022%0.22426%0.263CS..  trans-68.2102.1-176.6-310000108.1S492 F496S492-S494 PolarHBondContact O-N 2.69Å; S494-F496 WeakPolarHBondContact O-CD2 3.43Å; S494-F496 WeakPolarHBondContact O-CE2 3.4Å
495K63.6Low61Low79 Ų7952.1 Ų52.134%0.34328%0.277SS..  trans-67.6145.7169-63.1-169.3-178.7-170.60108.6S493 F731 E750S493-K495 PolarHBondContact O-N 3.16Å; K495-F731 HydrophobicContact CB-CD1 3.62Å; K495-F731 HydrophobicContact CB-CE1 3.64Å; K495-E750 IonicContact NZ-OE1 3.33Å; K495-E750 PolarHBondContact NZ-OE1 3.29Å; K495-E750 IonicContact NZ-OE2 2.72Å; K495-E750 PolarHBondContact NZ-OE2 2.71Å
496F73.1Confident60.4Low14 Ų1453.5 Ų53.56%0.06129%0.291CS..  trans-115.1144.3174.2-64-90.3000109.5S494 P732 F782 L784 L787 L792 Y1015 S1018S494-F496 WeakPolarHBondContact O-CD2 3.43Å; S494-F496 WeakPolarHBondContact O-CE2 3.4Å; F496-P732 WeakPolarHBondContact O-CD 3.45Å; F496-F782 WeakPolarHBondContact CA-O 3.46Å; F496-F782 HydrophobicContact CD1-CB 4.47Å; F496-L784 HydrophobicContact CD1-CD1 3.87Å; F496-L787 HydrophobicContact CB-CD2 3.66Å; F496-L792 HydrophobicContact CB-CD1 4.35Å; F496-L792 HydrophobicContact CD2-CD1 4.3Å; F496-L792 HydrophobicContact CD2-CD2 3.44Å; F496-L792 VanDerWaalsContact CD2-CD2 3.44Å; F496-L792 HydrophobicContact CE2-CD2 3.68Å; F496-L792 HydrophobicContact CG-CD2 4.15Å; F496-Y1015 AromaticContact CE2-CD2 3.7Å; F496-Y1015 HydrophobicContact CE2-CD2 3.7Å; F496-Y1015 HydrophobicContact CE2-CE2 4.34Å; F496-Y1015 AromaticContact CZ-CD2 3.77Å; F496-Y1015 HydrophobicContact CZ-CD2 3.77Å; F496-S1018 WeakPolarHBondContact CZ-OG 3.32Å
497A75Confident59.6Low0 Ų053.5 Ų53.50%030%0.303CS..EExtended strand (participates in β ladder)trans-115.7149.1-177.700000110.9G730 F731 F782 V783 L784A497-G730 CarbonylContact C-O 3.37Å; A497-G730 VanDerWaalsContact CA-O 3.3Å; A497-G730 WeakPolarHBondContact CA-O 3.48Å; A497-G730 VanDerWaalsContact CB-C 3.49Å; A497-F731 HydrophobicContact CB-CD1 3.75Å; A497-F731 HydrophobicContact CB-CD2 4.3Å; A497-F731 HydrophobicContact CB-CE1 3.82Å; A497-F731 HydrophobicContact CB-CE2 4.37Å; A497-F731 HydrophobicContact CB-CG 4Å; A497-F731 HydrophobicContact CB-CZ 4.14Å; A497-F782 PolarHBondContact N-O 3.31Å; A497-F782 VanDerWaalsContact N-O 3.09Å; A497-V783 HydrophobicContact CB-CB 4.38Å; A497-V783 HydrophobicContact CB-CG1 4.17Å; A497-V783 HydrophobicContact CB-CG2 4.07Å; A497-V783 CarbonylContact O-C 3.6Å; A497-V783 WeakPolarHBondContact O-CA 3.18Å; A497-L784 PolarHBondContact O-N 3.47Å
498V77.6Confident58.3Low0 Ų056.4 Ų56.40%032%0.324CS..EExtended strand (participates in β ladder)trans-76.2127.6169.9-179.10000109.5Y500 F714 L720 L727 G730 L784 L787V498-Y500 WeakPolarHBondContact O-CD1 3.18Å; V498-Y500 PolarHBondContact O-N 3.09Å; V498-F714 HydrophobicContact CG1-CE2 4.26Å; V498-F714 HydrophobicContact CG1-CZ 4.41Å; V498-L720 HydrophobicContact CG2-CD1 4.32Å; V498-L720 HydrophobicContact CG2-CD2 4.24Å; V498-L720 HydrophobicContact CG2-CG 4.3Å; V498-L727 HydrophobicContact CB-CD1 4.14Å; V498-L727 HydrophobicContact CG2-CD1 4.31Å; V498-L727 HydrophobicContact CG2-CD2 4.4Å; V498-G730 PolarHBondContact N-O 3.09Å; V498-L784 CarbonylContact C-O 3.56Å; V498-L784 WeakPolarHBondContact CA-O 3.3Å; V498-L787 HydrophobicContact CG2-CD1 3.62Å; V498-L787 HydrophobicContact CG2-CG 3.96Å
499D77.1Confident57.2Low29 Ų2965.1 Ų65.116%0.15535%0.354CS..  trans-73.8105.6162.2174.320.9000109T501 Q502 V783 L784D499-T501 VanDerWaalsContact OD1-CB 3.26Å; D499-T501 WeakPolarHBondContact OD1-CB 3.24Å; D499-T501 VanDerWaalsContact OD1-CG2 3.28Å; D499-T501 WeakPolarHBondContact OD1-CG2 3.31Å; D499-T501 PolarHBondContact OD1-N 3.14Å; D499-T501 PolarHBondContact OD1-OG1 3.25Å; D499-T501 PolarHBondContact OD2-OG1 3.35Å; D499-Q502 PolarHBondContact OD2-NE2 2.99Å; D499-V783 HydrophobicContact CB-CG1 3.91Å; D499-L784 PolarHBondContact N-O 2.91Å
500Y74.2Confident56.2Low1 Ų171.4 Ų71.40%0.00437%0.37CS..  trans-1039.317462.8-91.6000112.9V498 Q502 W503 L504 F523 T563 Q774 L778V498-Y500 WeakPolarHBondContact O-CD1 3.18Å; V498-Y500 PolarHBondContact O-N 3.09Å; Y500-Q502 PolarHBondContact O-N 3.16Å; Y500-W503 WeakPolarHBondContact O-CB 3.23Å; Y500-W503 PolarHBondContact O-N 2.8Å; Y500-L504 HydrophobicContact CD2-CD2 4.03Å; Y500-L504 HydrophobicContact CD2-CG 4.16Å; Y500-L504 HydrophobicContact CE2-CD1 4.36Å; Y500-L504 HydrophobicContact CE2-CD2 3.96Å; Y500-L504 HydrophobicContact CE2-CG 4.33Å; Y500-L504 PolarHBondContact O-N 3Å; Y500-F523 HydrophobicContact CD2-CE2 4.39Å; Y500-T563 HydrophobicContact CE2-CG2 4.37Å; Y500-T563 WeakPolarHBondContact OH-CB 3.44Å; Y500-Q774 PolarHBondContact OH-NE2 2.71Å; Y500-L778 HydrophobicContact CD1-CD2 4.11Å; Y500-L778 HydrophobicContact CE1-CD1 4.06Å; Y500-L778 HydrophobicContact CE1-CD2 3.59Å; Y500-L778 HydrophobicContact CE1-CG 4.45Å; Y500-L778 HydrophobicContact CE2-CD1 4.02Å
501T70.5Confident55.3Low44 Ų4475.1 Ų75.127%0.2739%0.391SS..G310 helixtrans-57.6-37.2-178.557.90000112.6D499 W503 L504 L778D499-T501 VanDerWaalsContact OD1-CB 3.26Å; D499-T501 WeakPolarHBondContact OD1-CB 3.24Å; D499-T501 VanDerWaalsContact OD1-CG2 3.28Å; D499-T501 WeakPolarHBondContact OD1-CG2 3.31Å; D499-T501 PolarHBondContact OD1-N 3.14Å; D499-T501 PolarHBondContact OD1-OG1 3.25Å; D499-T501 PolarHBondContact OD2-OG1 3.35Å; T501-W503 PolarHBondContact O-N 3.48Å; T501-L504 WeakPolarHBondContact O-CB 3.12Å; T501-L504 PolarHBondContact O-N 3.46Å; T501-L504 VanDerWaalsContact O-N 3.16Å; T501-L778 HydrophobicContact CG2-CB 3.84Å; T501-L778 HydrophobicContact CG2-CD1 3.49Å; T501-L778 VanDerWaalsContact CG2-CD1 3.49Å; T501-L778 HydrophobicContact CG2-CG 4.26Å
502Q69.4Low54.4Low138 Ų13876.7 Ų76.765%0.64541%0.411SS*.G310 helixtrans-64.2-10.3178.3-55.2176.733.400113.8D499 Y500D499-Q502 PolarHBondContact OD2-NE2 2.99Å; Y500-Q502 PolarHBondContact O-N 3.16Å
503W66.7Low53.8Low57 Ų5782.2 Ų82.222%0.21643%0.428CS..G310 helixtrans-114.8-1.9-177.5-55.386.4000112.7Y500 T501 F523 R710 Q713 F714 S717Y500-W503 WeakPolarHBondContact O-CB 3.23Å; Y500-W503 PolarHBondContact O-N 2.8Å; T501-W503 PolarHBondContact O-N 3.48Å; W503-F523 HydrophobicContact CB-CD2 3.87Å; W503-F523 HydrophobicContact CB-CE2 3.79Å; W503-R710 HydrophobicContact CZ3-CB 4.25Å; W503-R710 HydrophobicContact CZ3-CG 4.22Å; W503-R710 WeakPolarHBondContact CZ3-O 3.48Å; W503-Q713 HydrophobicContact CH2-CB 3.87Å; W503-Q713 HydrophobicContact CZ3-CB 4.48Å; W503-F714 AromaticContact CD1-CD2 3.77Å; W503-F714 HydrophobicContact CD2-CB 4.17Å; W503-F714 AromaticContact CD2-CD2 3.86Å; W503-F714 HydrophobicContact CD2-CD2 3.86Å; W503-F714 HydrophobicContact CD2-CG 4.44Å; W503-F714 AromaticContact CE2-CD2 3.85Å; W503-F714 HydrophobicContact CE3-CB 4.06Å; W503-F714 AromaticContact CG-CD2 3.84Å; W503-F714 HydrophobicContact CG-CD2 3.84Å; W503-F714 HydrophobicContact CG-CE2 4.42Å; W503-F714 HydrophobicContact CH2-CB 4.12Å; W503-F714 HydrophobicContact CZ2-CB 4.21Å; W503-F714 HydrophobicContact CZ3-CB 4.04Å; W503-F714 AromaticContact NE1-CD2 3.77Å; W503-S717 WeakPolarHBondContact CZ2-OG 3.43Å
504L62.1Low52.7Low35 Ų3583 Ų8318%0.18343%0.432CS..SBendtrans-73.2154.8172.2-68.7176000111.2Y500 T501 D506 Y522 F525Y500-L504 HydrophobicContact CD2-CD2 4.03Å; Y500-L504 HydrophobicContact CD2-CG 4.16Å; Y500-L504 HydrophobicContact CE2-CD1 4.36Å; Y500-L504 HydrophobicContact CE2-CD2 3.96Å; Y500-L504 HydrophobicContact CE2-CG 4.33Å; Y500-L504 PolarHBondContact O-N 3Å; T501-L504 WeakPolarHBondContact O-CB 3.12Å; T501-L504 PolarHBondContact O-N 3.46Å; T501-L504 VanDerWaalsContact O-N 3.16Å; L504-D506 PolarHBondContact O-N 2.91Å; L504-Y522 WeakPolarHBondContact O-CD1 3.32Å; L504-Y522 WeakPolarHBondContact O-CE1 3.36Å; L504-F525 HydrophobicContact CD2-CE2 3.66Å; L504-F525 HydrophobicContact CD2-CZ 3.56Å
505P52.4Low51.5Low59 Ų5986.2 Ų86.238%0.38345%0.453SS..PPolyproline II helixtrans-60.9121165.5-17.130.4000109.7V507 Y522P505-V507 PolarHBondContact O-N 2.98Å; P505-Y522 HydrophobicContact CB-CD1 4.29Å; P505-Y522 HydrophobicContact CB-CG 4.36Å; P505-Y522 HydrophobicContact CG-CD1 4.28Å; P505-Y522 HydrophobicContact CG-CG 4.15Å
506D42.6Very low49.9Very low117 Ų11789.9 Ų89.963%0.62648%0.477SS*.PPolyproline II helixtrans-74.2122.9-178.7-164.4-5.2000110.2L504 S508L504-D506 PolarHBondContact O-N 2.91Å; D506-S508 PolarHBondContact O-N 2.95Å; D506-S508 WeakPolarHBondContact OD1-CB 3.28Å; D506-S508 PolarHBondContact OD1-N 3.41Å
507V39.1Very low48Very low107 Ų10796.2 Ų96.265%0.64850%0.504SS*.  trans-83.710.9-176.7-159.10000111.1P505 W509P505-V507 PolarHBondContact O-N 2.98Å; V507-W509 PolarHBondContact O-N 2.67Å
508S32.6Very low45.9Very low73 Ų73101.3 Ų101.351%0.5155%0.546SS..  trans-83.180.5-179.3-167.70000112.9D506 R510D506-S508 PolarHBondContact O-N 2.95Å; D506-S508 WeakPolarHBondContact OD1-CB 3.28Å; D506-S508 PolarHBondContact OD1-N 3.41Å; S508-R510 PolarHBondContact O-N 2.93Å
509W29.9Very low44Very low202 Ų202104.9 Ų104.977%0.76557%0.571SS**THydrogen-bonded Turntrans-70.335.6-178.145.1-96.4000115.6V507V507-W509 PolarHBondContact O-N 2.67Å
510R30.2Very low42.1Very low186 Ų186106.4 Ų106.470%0.70258%0.579SS**THydrogen-bonded Turntrans-128.96.5-167-69.1-166.1-179.6-173.31.7118.1S508S508-R510 PolarHBondContact O-N 2.93Å
511L30.2Very low40.6Very low165 Ų165107.7 Ų107.786%0.86459%0.587SS**SBendtrans-137.210.1-179.5-75175000115.3
512A28.7Very low40.3Very low99 Ų99110.3 Ų110.382%0.81859%0.593SS**  trans-106.760.3-172.900000113.6
513E33.3Very low39.8Very low201 Ų201104.2 Ų104.294%0.93956%0.564SS**SBendtrans-101.9-0.8163-71.3-171.1143.700112.7
514C26.9Very low39.8Very low105 Ų105102 Ų10271%0.70956%0.556SS**SBendtrans-125.4126.8178.7-67.50000111.7
515C25.9Very low40.1Very low100 Ų100101.8 Ų101.868%0.67655%0.554SS**SBendtrans73.6139.8169.6-49.90000117.9F517C515-F517 HydrophobicContact CB-CD2 3.87Å; C515-F517 HydrophobicContact CB-CE2 4.17Å; C515-F517 PolarHBondContact O-N 3.35Å
516D30.1Very low40.8Very low156 Ų156100.8 Ų100.883%0.83455%0.547SS*.  trans-74.146.9-170.6-52.8-87.3000115.8A518D516-A518 PolarHBondContact O-N 3.47Å; D516-A518 VanDerWaalsContact O-N 3.08Å
517F33.3Very low42.1Very low147 Ų14795.8 Ų95.865%0.64552%0.52SS*.G310 helixtrans-75.56.4-171.5-93.8-110.7000115.9C515 S519 L520C515-F517 HydrophobicContact CB-CD2 3.87Å; C515-F517 HydrophobicContact CB-CE2 4.17Å; C515-F517 PolarHBondContact O-N 3.35Å; F517-S519 PolarHBondContact O-N 3.12Å; F517-L520 HydrophobicContact CD1-CD1 3.38Å; F517-L520 HydrophobicContact CE1-CD1 3.67Å; F517-L520 HydrophobicContact CG-CD1 4.28Å
518A31.9Very low43.7Very low106 Ų10691.6 Ų91.688%0.87649%0.494SS*.G310 helixtrans-68.5-13.4-175.200000115.2D516D516-A518 PolarHBondContact O-N 3.47Å; D516-A518 VanDerWaalsContact O-N 3.08Å
519S37Very low45.9Very low76 Ų7688.2 Ų88.253%0.53147%0.47SS..G310 helixtrans-86.4-6.9-174.855.80000115.3F517 V521F517-S519 PolarHBondContact O-N 3.12Å; S519-V521 PolarHBondContact O-N 3.29Å
520L36.8Very low48.3Very low61 Ų6182.8 Ų82.832%0.31945%0.453SS..SBendtrans-83.397.9-172.3-76.5160.6000112.8F517 Y522F517-L520 HydrophobicContact CD1-CD1 3.38Å; F517-L520 HydrophobicContact CE1-CD1 3.67Å; F517-L520 HydrophobicContact CG-CD1 4.28Å; L520-Y522 WeakPolarHBondContact O-CD2 3.32Å; L520-Y522 VanDerWaalsContact O-CE2 3.25Å; L520-Y522 WeakPolarHBondContact O-CE2 3.35Å; L520-Y522 PolarHBondContact O-N 3.41Å
521V44Very low50.8Low27 Ų2780.8 Ų80.816%0.16445%0.449CS..  trans-49.9121.7-175.7-177.20000114S519 Q524S519-V521 PolarHBondContact O-N 3.29Å; V521-Q524 HydrophobicContact CG1-CG 4.35Å; V521-Q524 VanDerWaalsContact CG1-NE2 3.32Å
522Y62.7Low52.8Low99 Ų9975 Ų7539%0.38842%0.419SS..  trans-94.4-179.7173.4-69.7-94.4000112.2L504 P505 L520 Q524L504-Y522 WeakPolarHBondContact O-CD1 3.32Å; L504-Y522 WeakPolarHBondContact O-CE1 3.36Å; P505-Y522 HydrophobicContact CB-CD1 4.29Å; P505-Y522 HydrophobicContact CB-CG 4.36Å; P505-Y522 HydrophobicContact CG-CD1 4.28Å; P505-Y522 HydrophobicContact CG-CG 4.15Å; L520-Y522 WeakPolarHBondContact O-CD2 3.32Å; L520-Y522 VanDerWaalsContact O-CE2 3.25Å; L520-Y522 WeakPolarHBondContact O-CE2 3.35Å; L520-Y522 PolarHBondContact O-N 3.41Å; Y522-Q524 WeakPolarHBondContact O-CG 2.82Å; Y522-Q524 PolarHBondContact O-N 3.41Å; Y522-Q524 VanDerWaalsContact O-N 3.16Å
523F60.2Low55Low11 Ų1175.3 Ų75.35%0.04841%0.413CS..  trans-46.3118.8156.9-93.7-69.5000110.6Y500 W503 F525 V565 I625 F714Y500-F523 HydrophobicContact CD2-CE2 4.39Å; W503-F523 HydrophobicContact CB-CD2 3.87Å; W503-F523 HydrophobicContact CB-CE2 3.79Å; F523-F525 HydrophobicContact CB-CE2 3.94Å; F523-F525 HydrophobicContact CB-CZ 4.16Å; F523-V565 HydrophobicContact CD1-CG2 3.95Å; F523-V565 HydrophobicContact CE1-CB 4.08Å; F523-V565 HydrophobicContact CE1-CG1 3.46Å; F523-V565 VanDerWaalsContact CE1-CG1 3.46Å; F523-V565 HydrophobicContact CE1-CG2 3.45Å; F523-V565 VanDerWaalsContact CE1-CG2 3.45Å; F523-V565 HydrophobicContact CZ-CG1 3.77Å; F523-V565 HydrophobicContact CZ-CG2 3.9Å; F523-I625 HydrophobicContact CD1-CD1 4.22Å; F523-I625 HydrophobicContact CD1-CG1 3.74Å; F523-I625 HydrophobicContact CE1-CD1 3.4Å; F523-I625 VanDerWaalsContact CE1-CD1 3.4Å; F523-I625 HydrophobicContact CE1-CG1 3.38Å; F523-I625 HydrophobicContact CZ-CD1 3.58Å; F523-I625 HydrophobicContact CZ-CG1 4.06Å; F523-F714 HydrophobicContact CE2-CE2 4.44Å; F523-F714 HydrophobicContact CZ-CE1 4.34Å; F523-F714 HydrophobicContact CZ-CE2 4.44Å; F523-F714 HydrophobicContact CZ-CZ 4.11Å
524Q66.2Low56.8Low11 Ų1170.5 Ų70.55%0.05139%0.39CS..EExtended strand (participates in β ladder)trans-92.8105.4177.6-59-157.129.700108.9V521 Y522 L624 Y648 K652V521-Q524 HydrophobicContact CG1-CG 4.35Å; V521-Q524 VanDerWaalsContact CG1-NE2 3.32Å; Y522-Q524 WeakPolarHBondContact O-CG 2.82Å; Y522-Q524 PolarHBondContact O-N 3.41Å; Y522-Q524 VanDerWaalsContact O-N 3.16Å; Q524-L624 PolarHBondContact N-O 3.1Å; Q524-L624 WeakPolarHBondContact O-CB 3.23Å; Q524-L624 PolarHBondContact O-N 3.41Å; Q524-Y648 PolarHBondContact OE1-OH 3.39Å; Q524-K652 VanDerWaalsContact NE2-NZ 3.16Å
525F69.3Low59.1Low30 Ų3066.3 Ų66.313%0.13236%0.36CS..EExtended strand (participates in β ladder)trans-78135.1171.6-66.8-74000110L504 F523 T563 R621 V622L504-F525 HydrophobicContact CD2-CE2 3.66Å; L504-F525 HydrophobicContact CD2-CZ 3.56Å; F523-F525 HydrophobicContact CB-CE2 3.94Å; F523-F525 HydrophobicContact CB-CZ 4.16Å; F525-T563 HydrophobicContact CE1-CG2 3.71Å; F525-T563 HydrophobicContact CZ-CG2 4.31Å; F525-R621 HydrophobicContact CD1-CG 3.96Å; F525-V622 CarbonylContact C-O 3.46Å; F525-V622 VanDerWaalsContact CA-O 3.31Å; F525-V622 WeakPolarHBondContact CA-O 3.45Å
526V66.8Low61.5Low38 Ų3871.8 Ų71.823%0.2337%0.366CS..SBendtrans-79.6-28.4176.9-172.60000110.7F606 V622 L624 L661V526-F606 HydrophobicContact CG1-CZ 4.46Å; V526-V622 HydrophobicContact CB-CB 4.47Å; V526-V622 HydrophobicContact CG2-CB 4.4Å; V526-V622 HydrophobicContact CG2-CG1 4.26Å; V526-V622 PolarHBondContact N-O 3.17Å; V526-L624 HydrophobicContact CG2-CD1 3.46Å; V526-L624 VanDerWaalsContact CG2-CD1 3.46Å; V526-L624 HydrophobicContact CG2-CG 3.96Å; V526-L661 HydrophobicContact CG1-CD1 4.24Å; V526-L661 HydrophobicContact CG2-CD1 4.2Å
527N68.2Low63.8Low12 Ų1273.1 Ų73.16%0.06437%0.368CS..  trans-145.4158.8-177.963.8-28.1000112.3D532 Y535 C620 R621 V622N527-D532 VanDerWaalsContact CA-OD2 3.28Å; N527-D532 WeakPolarHBondContact CA-OD2 3.45Å; N527-Y535 HydrophobicContact CB-CE2 4.06Å; N527-Y535 WeakPolarHBondContact CB-OH 3.46Å; N527-Y535 PolarHBondContact ND2-OH 2.81Å; N527-C620 PolarHBondContact ND2-O 3.17Å; N527-R621 VanDerWaalsContact O-CG 3.31Å; N527-R621 WeakPolarHBondContact O-CG 3.36Å; N527-R621 WeakPolarHBondContact OD1-CA 3.45Å; N527-V622 PolarHBondContact OD1-N 3.22Å
528D74.6Confident66.2Low19 Ų1969.2 Ų69.210%0.10235%0.349CS..  trans-133.6108.4168.7-165.6-25000110.1E530 K531 D532 N560 R621D528-E530 PolarHBondContact O-N 3.06Å; D528-E530 PolarHBondContact OD1-N 2.61Å; D528-K531 HydrophobicContact CB-CB 4.24Å; D528-K531 PolarHBondContact O-N 2.85Å; D528-K531 VanDerWaalsContact O-N 3.1Å; D528-K531 IonicContact OD2-NZ 3.85Å; D528-D532 PolarHBondContact N-OD2 3.05Å; D528-D532 PolarHBondContact O-N 3.41Å; D528-N560 PolarHBondContact OD1-ND2 3.04Å; D528-R621 VanDerWaalsContact CG-NH2 3.31Å; D528-R621 IonicContact OD1-NH2 3.56Å; D528-R621 IonicContact OD2-CZ 2.74Å; D528-R621 IonicContact OD2-NH2 3.84Å; D528-R621 PolarHBondContact OD2-NH2 3.31Å
529L77.1Confident68.6Low1 Ų165.9 Ų65.91%0.00532%0.324CS..THydrogen-bonded Turntrans-63.6-16.8-172.6-63.2171.8000113.5Y535 W538 A558 R559 N560 T618 S619 R621L529-Y535 HydrophobicContact CD2-CD1 3.86Å; L529-Y535 HydrophobicContact CD2-CD2 4.01Å; L529-Y535 HydrophobicContact CD2-CE1 3.71Å; L529-Y535 HydrophobicContact CD2-CE2 3.87Å; L529-Y535 HydrophobicContact CD2-CG 4Å; L529-W538 HydrophobicContact CD2-CZ3 4.31Å; L529-A558 CarbonylContact O-C 3.51Å; L529-A558 VanDerWaalsContact O-CA 3.32Å; L529-A558 WeakPolarHBondContact O-CA 3.5Å; L529-A558 WeakPolarHBondContact O-CB 3.41Å; L529-R559 WeakPolarHBondContact CD1-O 3.45Å; L529-N560 PolarHBondContact N-OD1 3Å; L529-T618 WeakPolarHBondContact CD2-O 3.42Å; L529-S619 WeakPolarHBondContact CD1-O 3.34Å; L529-R621 HydrophobicContact CD1-CB 4.45Å
530E81.4Confident71Confident89 Ų8966 Ų6642%0.41632%0.319SS..THydrogen-bonded Turntrans-99.6-9.8-178.4-71.4160.8-149.800113.1D528 A558 R559 N560D528-E530 PolarHBondContact O-N 3.06Å; D528-E530 PolarHBondContact OD1-N 2.61Å; E530-A558 WeakPolarHBondContact CG-O 3.38Å; E530-R559 HydrophobicContact CG-CG 4.46Å; E530-R559 WeakPolarHBondContact OE1-CA 3.5Å; E530-N560 WeakPolarHBondContact OE1-CB 3.42Å; E530-N560 PolarHBondContact OE1-N 3.48Å; E530-N560 PolarHBondContact OE1-ND2 2.98Å
531K82Confident73.5Confident144 Ų14464.2 Ų64.263%0.62631%0.312SS*.THydrogen-bonded Turntrans-131.9-34-169.6-63.7-179.1-172.7163.30115.1D528D528-K531 HydrophobicContact CB-CB 4.24Å; D528-K531 PolarHBondContact O-N 2.85Å; D528-K531 VanDerWaalsContact O-N 3.1Å; D528-K531 IonicContact OD2-NZ 3.85Å
532D72.4Confident75.6Confident43 Ų4363 Ų6323%0.2330%0.304CS..SBendtrans-67.7138.4-176.3-60.7-23.4000110.4N527 D528 Q534 Y535N527-D532 VanDerWaalsContact CA-OD2 3.28Å; N527-D532 WeakPolarHBondContact CA-OD2 3.45Å; D528-D532 PolarHBondContact N-OD2 3.05Å; D528-D532 PolarHBondContact O-N 3.41Å; D532-Q534 HydrophobicContact CB-CG 3.84Å; D532-Q534 PolarHBondContact O-N 2.78Å; D532-Q534 PolarHBondContact OD2-NE2 2.89Å; D532-Y535 HydrophobicContact CB-CD2 3.82Å; D532-Y535 HydrophobicContact CB-CE2 3.93Å; D532-Y535 PolarHBondContact O-N 3.43Å
533P74.5Confident76.8Confident106 Ų10663.5 Ų63.569%0.68831%0.31SS*.G310 helixtrans-63-19.7-174.925.4-34.9000113.7R536P533-R536 WeakPolarHBondContact O-CB 3.37Å
534Q71.2Confident78.2Confident99 Ų9965 Ų6546%0.46332%0.319SS..G310 helixtrans-67.3-33.6177.960.5-163.6-24.100113.8D532D532-Q534 HydrophobicContact CB-CG 3.84Å; D532-Q534 PolarHBondContact O-N 2.78Å; D532-Q534 PolarHBondContact OD2-NE2 2.89Å
535Y75.7Confident79.1Confident17 Ų1764.6 Ų64.67%0.06732%0.317CS..G310 helixtrans-90.6-2.4-178.8-51.8-65.8000113.8N527 L529 D532 Q537 W538 T618N527-Y535 HydrophobicContact CB-CE2 4.06Å; N527-Y535 WeakPolarHBondContact CB-OH 3.46Å; N527-Y535 PolarHBondContact ND2-OH 2.81Å; L529-Y535 HydrophobicContact CD2-CD1 3.86Å; L529-Y535 HydrophobicContact CD2-CD2 4.01Å; L529-Y535 HydrophobicContact CD2-CE1 3.71Å; L529-Y535 HydrophobicContact CD2-CE2 3.87Å; L529-Y535 HydrophobicContact CD2-CG 4Å; D532-Y535 HydrophobicContact CB-CD2 3.82Å; D532-Y535 HydrophobicContact CB-CE2 3.93Å; D532-Y535 PolarHBondContact O-N 3.43Å; Y535-Q537 PolarHBondContact O-N 2.91Å; Y535-W538 HydrophobicContact CD1-CE3 4.07Å; Y535-W538 HydrophobicContact CD1-CH2 4.07Å; Y535-W538 HydrophobicContact CD1-CZ2 4.47Å; Y535-W538 AromaticContact CD1-CZ3 3.83Å; Y535-W538 HydrophobicContact CD1-CZ3 3.83Å; Y535-W538 HydrophobicContact CE1-CH2 4.39Å; Y535-W538 HydrophobicContact CE1-CZ3 4.4Å; Y535-W538 WeakPolarHBondContact O-CB 3.45Å; Y535-W538 PolarHBondContact O-N 3.41Å; Y535-T618 WeakPolarHBondContact CE1-O 3.39Å
536R76.1Confident80Confident215 Ų21566.1 Ų66.181%0.81133%0.326SS*.THydrogen-bonded Turntrans-65.1-10.7-170.2-145.2-177.5-151170.67.2115P533P533-R536 WeakPolarHBondContact O-CB 3.37Å
537Q79Confident80.7Confident185 Ų18569.8 Ų69.886%0.86434%0.341SS*.THydrogen-bonded Turntrans-83.7-19.9175.1-56.3-172.751.900112.6Y535Y535-Q537 PolarHBondContact O-N 2.91Å
538W83Confident80.9Confident64 Ų6475.4 Ų75.424%0.24238%0.378CS..SBendtrans-84.4150.8-178.3-59.7-9.4000111.5L529 Y535 P556 A558 T618L529-W538 HydrophobicContact CD2-CZ3 4.31Å; Y535-W538 HydrophobicContact CD1-CE3 4.07Å; Y535-W538 HydrophobicContact CD1-CH2 4.07Å; Y535-W538 HydrophobicContact CD1-CZ2 4.47Å; Y535-W538 AromaticContact CD1-CZ3 3.83Å; Y535-W538 HydrophobicContact CD1-CZ3 3.83Å; Y535-W538 HydrophobicContact CE1-CH2 4.39Å; Y535-W538 HydrophobicContact CE1-CZ3 4.4Å; Y535-W538 WeakPolarHBondContact O-CB 3.45Å; Y535-W538 PolarHBondContact O-N 3.41Å; W538-P556 HydrophobicContact CD2-CB 3.72Å; W538-P556 VanDerWaalsContact CE2-CB 3.47Å; W538-P556 HydrophobicContact CE3-CB 4.12Å; W538-P556 HydrophobicContact CG-CB 4.19Å; W538-P556 HydrophobicContact CH2-CB 3.94Å; W538-P556 HydrophobicContact CZ2-CB 3.59Å; W538-P556 HydrophobicContact CZ3-CB 4.23Å; W538-A558 HydrophobicContact CB-CB 4.05Å; W538-T618 WeakPolarHBondContact CH2-OG1 3.28Å
539G82Confident80.8Confident36 Ų3678.8 Ų78.837%0.37139%0.39SS..  trans-66.6139.2175.100000112.1I557 A558G539-I557 WeakPolarHBondContact O-CG2 3.4Å; G539-A558 PolarHBondContact O-N 3.24Å
540N87.2Confident80Confident79 Ų7986 Ų8642%0.42242%0.422SS..  trans-110.778.5174.4-175.1-23.3000109.6A558 R559N540-A558 HydrophobicContact CB-CB 4.11Å; N540-A558 PolarHBondContact ND2-O 3.18Å; N540-A558 VanDerWaalsContact ND2-O 3.15Å; N540-R559 WeakPolarHBondContact OD1-CG 3.27Å; N540-R559 PolarHBondContact OD1-NE 3.1Å
541S89.3Confident78.6Confident23 Ų2387.8 Ų87.816%0.16144%0.441CS..  trans-152.8144.3168.8172.70000111.9Q543 L544 D769S541-Q543 PolarHBondContact O-N 2.81Å; S541-Q543 WeakPolarHBondContact OG-CB 3.42Å; S541-Q543 PolarHBondContact OG-N 2.96Å; S541-Q543 VanDerWaalsContact OG-N 3.14Å; S541-L544 WeakPolarHBondContact O-CB 3.34Å; S541-L544 PolarHBondContact O-N 2.91Å; S541-D769 WeakPolarHBondContact CA-OD1 3.49Å; S541-D769 WeakPolarHBondContact CB-OD2 3.41Å; S541-D769 VanDerWaalsContact OG-CG 3.3Å; S541-D769 PolarHBondContact OG-OD1 2.65Å; S541-D769 PolarHBondContact OG-OD2 3.43Å
542V88.1Confident77.3Confident1 Ų183.5 Ų83.51%0.00644%0.437CS..G310 helixtrans-67.5-19.6172.9-62.30000113.4L544 L545 F561 V762 L767 D769 V773V542-L544 PolarHBondContact O-N 2.89Å; V542-L545 WeakPolarHBondContact O-CB 3.4Å; V542-L545 PolarHBondContact O-N 3.25Å; V542-F561 HydrophobicContact CB-CZ 4.41Å; V542-F561 HydrophobicContact CG1-CE1 3.97Å; V542-F561 HydrophobicContact CG1-CZ 3.89Å; V542-V762 HydrophobicContact CB-CG2 3.99Å; V542-V762 HydrophobicContact CG2-CG1 4.44Å; V542-V762 HydrophobicContact CG2-CG2 4.16Å; V542-L767 HydrophobicContact CG1-CD2 4.17Å; V542-L767 HydrophobicContact CG1-CG 4.16Å; V542-D769 WeakPolarHBondContact CG2-OD1 3.43Å; V542-D769 PolarHBondContact N-OD1 2.98Å; V542-V773 HydrophobicContact CG1-CG2 4.04Å
543Q89.5Confident76.8Confident110 Ų11085.3 Ų85.351%0.51445%0.445SS..G310 helixtrans-61.5-26.7174.5-68.6-69.8-14.500112.6S541 L545 L546S541-Q543 PolarHBondContact O-N 2.81Å; S541-Q543 WeakPolarHBondContact OG-CB 3.42Å; S541-Q543 PolarHBondContact OG-N 2.96Å; S541-Q543 VanDerWaalsContact OG-N 3.14Å; Q543-L545 PolarHBondContact O-N 3.18Å; Q543-L546 WeakPolarHBondContact O-CB 3.26Å; Q543-L546 PolarHBondContact O-N 2.85Å
544L88Confident76.4Confident43 Ų4380.9 Ų80.923%0.22542%0.416CS..G310 helixtrans-67.4-14.2179.6-61.9169.6000113.3S541 V542 L546 R555 I557S541-L544 WeakPolarHBondContact O-CB 3.34Å; S541-L544 PolarHBondContact O-N 2.91Å; V542-L544 PolarHBondContact O-N 2.89Å; L544-L546 VanDerWaalsContact C-N 3.26Å; L544-L546 PolarHBondContact O-N 2.92Å; L544-R555 PolarHBondContact O-NH1 3.48Å; L544-I557 HydrophobicContact CB-CD1 3.98Å; L544-I557 HydrophobicContact CB-CG1 4.28Å; L544-I557 HydrophobicContact CB-CG2 4.44Å; L544-I557 HydrophobicContact CD1-CG2 4.08Å
545L85.8Confident76.6Confident2 Ų278.3 Ų78.31%0.0140%0.402CS..G310 helixtrans-67-25.6168-69.2175.2000112.9V542 Q543 R555 I557 F561 T755 L758 Q759 V762V542-L545 WeakPolarHBondContact O-CB 3.4Å; V542-L545 PolarHBondContact O-N 3.25Å; Q543-L545 PolarHBondContact O-N 3.18Å; L545-R555 PolarHBondContact O-NH1 2.87Å; L545-R555 VanDerWaalsContact O-NH1 3.13Å; L545-I557 HydrophobicContact CD2-CD1 3.94Å; L545-I557 HydrophobicContact CG-CD1 4.31Å; L545-F561 HydrophobicContact CD1-CD1 4.25Å; L545-F561 HydrophobicContact CD1-CE1 3.55Å; L545-F561 HydrophobicContact CD1-CZ 3.84Å; L545-F561 HydrophobicContact CD2-CE1 4.49Å; L545-F561 HydrophobicContact CD2-CZ 4.33Å; L545-F561 HydrophobicContact CG-CE1 4.18Å; L545-F561 HydrophobicContact CG-CZ 3.98Å; L545-T755 HydrophobicContact CD2-CG2 4.41Å; L545-L758 HydrophobicContact CD1-CB 3.84Å; L545-Q759 HydrophobicContact CB-CG 4.07Å; L545-Q759 WeakPolarHBondContact O-CG 3.08Å; L545-Q759 PolarHBondContact O-NE2 3.26Å; L545-V762 HydrophobicContact CD1-CG2 4.29Å
546L87.5Confident76.6Confident63 Ų6379.9 Ų79.933%0.3341%0.414SS..SBendtrans-89.3-13.8-173.7-57.7-172.3000114.3Q543 L544 Q759 V762 L763Q543-L546 WeakPolarHBondContact O-CB 3.26Å; Q543-L546 PolarHBondContact O-N 2.85Å; L544-L546 VanDerWaalsContact C-N 3.26Å; L544-L546 PolarHBondContact O-N 2.92Å; L546-Q759 HydrophobicContact CD2-CB 4.08Å; L546-Q759 HydrophobicContact CD2-CG 4.24Å; L546-V762 HydrophobicContact CD1-CB 4.48Å; L546-V762 HydrophobicContact CD1-CG1 3.85Å; L546-V762 HydrophobicContact CD2-CB 4.37Å; L546-V762 HydrophobicContact CG-CG1 4.14Å; L546-L763 HydrophobicContact CD1-CD2 3.92Å; L546-L763 HydrophobicContact CD1-CG 4.13Å; L546-L763 HydrophobicContact CD2-CD1 4.2Å; L546-L763 HydrophobicContact CD2-CD2 4.33Å; L546-L763 HydrophobicContact CD2-CG 3.81Å
547Q82.3Confident77Confident115 Ų11570 Ų7054%0.53738%0.377SS..SBendtrans-67.2158.7176.9-68.4-178-21.900111.7R555Q547-R555 PolarHBondContact O-NH1 3.02Å; Q547-R555 PolarHBondContact O-NH2 2.79Å
548P72.2Confident77.2Confident130 Ų13061.4 Ų61.484%0.84434%0.338SS*.  trans-62143.7167.6-20.633.6000111.6
549Y71.7Confident77.1Confident90 Ų9059.7 Ų59.735%0.35333%0.332SS..  trans-155.4161.3172.9-154.3-109000109.8M553 R555 P556Y549-M553 HydrophobicContact CD1-CB 4.21Å; Y549-M553 HydrophobicContact CE1-CB 3.76Å; Y549-R555 HydrophobicContact CD1-CG 3.66Å; Y549-R555 HydrophobicContact CD2-CG 4.47Å; Y549-R555 HydrophobicContact CE1-CG 4.11Å; Y549-R555 HydrophobicContact CG-CG 3.86Å; Y549-P556 VanDerWaalsContact OH-CD 3.23Å; Y549-P556 WeakPolarHBondContact OH-CD 3.28Å
550F61Low76.9Confident153 Ų15358.2 Ų58.267%0.67132%0.315SS*.  trans-66.5133.1-177.3-73.9-77.6000112M553F550-M553 HydrophobicContact CB-CG 4.34Å; F550-M553 HydrophobicContact CB-SD 4.19Å; F550-M553 PolarHBondContact O-N 3.27Å
551P52.7Low76.3Confident126 Ų12654.6 Ų54.682%0.81830%0.296SS*.THydrogen-bonded Turntrans-67135.2177.928.6-34.1000110.4
552G55.1Low75.2Confident54 Ų5454 Ų5456%0.55729%0.29SS*.THydrogen-bonded Turntrans92-15.3-176.100000115V748G552-V748 WeakPolarHBondContact O-CG1 3.36Å
553M61.4Low74.1Confident81 Ų8153.9 Ų53.940%0.39929%0.29SS..PPolyproline II helixtrans-93.7142.4175.5-65.9-16975.500112.5Y549 F550 D615Y549-M553 HydrophobicContact CD1-CB 4.21Å; Y549-M553 HydrophobicContact CE1-CB 3.76Å; F550-M553 HydrophobicContact CB-CG 4.34Å; F550-M553 HydrophobicContact CB-SD 4.19Å; F550-M553 PolarHBondContact O-N 3.27Å; M553-D615 HydrophobicContact CE-CB 4.15Å
554I65Low72.4Confident13 Ų1349.2 Ų49.27%0.06727%0.268CS..PPolyproline II helixtrans-81135172-48.1-178.3000108.8F562 F617 S619 V748 V751I554-F562 HydrophobicContact CG2-CE2 4.47Å; I554-F617 HydrophobicContact CD1-CD1 3.99Å; I554-F617 HydrophobicContact CD1-CE1 3.91Å; I554-S619 WeakPolarHBondContact CG2-OG 3.3Å; I554-V748 HydrophobicContact CD1-CG2 4.1Å; I554-V748 HydrophobicContact CG1-CG2 4.2Å; I554-V751 HydrophobicContact CD1-CG1 4.31Å; I554-V751 HydrophobicContact CD1-CG2 4.49Å; I554-V751 HydrophobicContact CG1-CG1 4.12Å; I554-V751 HydrophobicContact CG2-CG1 4.02Å
555R75.3Confident70.7Confident44 Ų4447.3 Ų47.317%0.16626%0.259CS..PPolyproline II helixtrans-76.6134.2-176.4-65.2171.1-177.6-121.5-5.1111.8L544 L545 Q547 Y549 I557 S619L544-R555 PolarHBondContact O-NH1 3.48Å; L545-R555 PolarHBondContact O-NH1 2.87Å; L545-R555 VanDerWaalsContact O-NH1 3.13Å; Q547-R555 PolarHBondContact O-NH1 3.02Å; Q547-R555 PolarHBondContact O-NH2 2.79Å; Y549-R555 HydrophobicContact CD1-CG 3.66Å; Y549-R555 HydrophobicContact CD2-CG 4.47Å; Y549-R555 HydrophobicContact CE1-CG 4.11Å; Y549-R555 HydrophobicContact CG-CG 3.86Å; R555-I557 HydrophobicContact CB-CD1 3.98Å; R555-I557 HydrophobicContact CB-CG1 3.98Å; R555-I557 PolarHBondContact O-N 3.02Å; R555-S619 WeakPolarHBondContact O-CB 3.47Å; R555-S619 PolarHBondContact O-OG 2.9Å; R555-S619 VanDerWaalsContact O-OG 3.13Å
556P77Confident68.4Low50 Ų5048.3 Ų48.333%0.32526%0.262SS..  trans-74.5104.8168.628.7-32.2000110.3W538 Y549W538-P556 HydrophobicContact CD2-CB 3.72Å; W538-P556 VanDerWaalsContact CE2-CB 3.47Å; W538-P556 HydrophobicContact CE3-CB 4.12Å; W538-P556 HydrophobicContact CG-CB 4.19Å; W538-P556 HydrophobicContact CH2-CB 3.94Å; W538-P556 HydrophobicContact CZ2-CB 3.59Å; W538-P556 HydrophobicContact CZ3-CB 4.23Å; Y549-P556 VanDerWaalsContact OH-CD 3.23Å; Y549-P556 WeakPolarHBondContact OH-CD 3.28Å
557I83.4Confident65.9Low7 Ų745.7 Ų45.74%0.03625%0.249CC..  trans-137.8132.6176.6-47.3174.8000108G539 L544 L545 R555 R559 F561G539-I557 WeakPolarHBondContact O-CG2 3.4Å; L544-I557 HydrophobicContact CB-CD1 3.98Å; L544-I557 HydrophobicContact CB-CG1 4.28Å; L544-I557 HydrophobicContact CB-CG2 4.44Å; L544-I557 HydrophobicContact CD1-CG2 4.08Å; L545-I557 HydrophobicContact CD2-CD1 3.94Å; L545-I557 HydrophobicContact CG-CD1 4.31Å; R555-I557 HydrophobicContact CB-CD1 3.98Å; R555-I557 HydrophobicContact CB-CG1 3.98Å; R555-I557 PolarHBondContact O-N 3.02Å; I557-R559 HydrophobicContact CG2-CB 4.47Å; I557-R559 PolarHBondContact O-N 3.45Å; I557-F561 HydrophobicContact CB-CD2 4.5Å; I557-F561 HydrophobicContact CB-CE2 4.02Å; I557-F561 HydrophobicContact CD1-CE2 3.92Å; I557-F561 HydrophobicContact CG2-CE2 3.82Å
558A84Confident63.9Low6 Ų640.8 Ų40.85%0.0523%0.226CC..SBendtrans-77.459.4178.600000111.7L529 E530 W538 G539 N540L529-A558 CarbonylContact O-C 3.51Å; L529-A558 VanDerWaalsContact O-CA 3.32Å; L529-A558 WeakPolarHBondContact O-CA 3.5Å; L529-A558 WeakPolarHBondContact O-CB 3.41Å; E530-A558 WeakPolarHBondContact CG-O 3.38Å; W538-A558 HydrophobicContact CB-CB 4.05Å; G539-A558 PolarHBondContact O-N 3.24Å; N540-A558 HydrophobicContact CB-CB 4.11Å; N540-A558 PolarHBondContact ND2-O 3.18Å; N540-A558 VanDerWaalsContact ND2-O 3.15Å
559R81.4Confident61.8Low27 Ų2736.2 Ų36.210%0.10219%0.193CC..SBendtrans-146.5143.6175.9-83.4-160.2175.5-136.7-7.9112.1L529 E530 N540 I557 F561 D769 V771L529-R559 WeakPolarHBondContact CD1-O 3.45Å; E530-R559 HydrophobicContact CG-CG 4.46Å; E530-R559 WeakPolarHBondContact OE1-CA 3.5Å; N540-R559 WeakPolarHBondContact OD1-CG 3.27Å; N540-R559 PolarHBondContact OD1-NE 3.1Å; I557-R559 HydrophobicContact CG2-CB 4.47Å; I557-R559 PolarHBondContact O-N 3.45Å; R559-F561 HydrophobicContact CB-CD2 3.78Å; R559-F561 HydrophobicContact CB-CE2 3.49Å; R559-F561 VanDerWaalsContact CB-CE2 3.49Å; R559-F561 HydrophobicContact CB-CZ 4.06Å; R559-F561 HydrophobicContact CG-CE2 4.43Å; R559-F561 PolarHBondContact O-N 2.83Å; R559-D769 IonicContact CZ-OD1 2.88Å; R559-D769 IonicContact NE-OD1 2.69Å; R559-D769 PolarHBondContact NH1-O 3.49Å; R559-D769 IonicContact NH1-OD1 2.98Å; R559-D769 PolarHBondContact NH2-O 2.85Å; R559-D769 IonicContact NH2-OD1 2.66Å; R559-D769 PolarHBondContact NH2-OD1 3.06Å; R559-V771 PolarHBondContact NH1-O 3.02Å
560N77.2Confident60Low5 Ų533.7 Ų33.73%0.02718%0.184CC..  trans-77.456.8-178.3-67.3-60.1000113.1D528 L529 E530 R621D528-N560 PolarHBondContact OD1-ND2 3.04Å; L529-N560 PolarHBondContact N-OD1 3Å; E530-N560 WeakPolarHBondContact OE1-CB 3.42Å; E530-N560 PolarHBondContact OE1-N 3.48Å; E530-N560 PolarHBondContact OE1-ND2 2.98Å; N560-R621 VanDerWaalsContact OD1-CD 3.23Å; N560-R621 WeakPolarHBondContact OD1-CD 3.26Å; N560-R621 WeakPolarHBondContact OD1-CG 3.4Å
561F74.3Confident58.3Low4 Ų430.3 Ų30.32%0.01817%0.167CC..  trans-67.2-38.4177.8-72.2-71.6000114.3V542 L545 I557 R559 N729 L758 V773 I777V542-F561 HydrophobicContact CB-CZ 4.41Å; V542-F561 HydrophobicContact CG1-CE1 3.97Å; V542-F561 HydrophobicContact CG1-CZ 3.89Å; L545-F561 HydrophobicContact CD1-CD1 4.25Å; L545-F561 HydrophobicContact CD1-CE1 3.55Å; L545-F561 HydrophobicContact CD1-CZ 3.84Å; L545-F561 HydrophobicContact CD2-CE1 4.49Å; L545-F561 HydrophobicContact CD2-CZ 4.33Å; L545-F561 HydrophobicContact CG-CE1 4.18Å; L545-F561 HydrophobicContact CG-CZ 3.98Å; I557-F561 HydrophobicContact CB-CD2 4.5Å; I557-F561 HydrophobicContact CB-CE2 4.02Å; I557-F561 HydrophobicContact CD1-CE2 3.92Å; I557-F561 HydrophobicContact CG2-CE2 3.82Å; R559-F561 HydrophobicContact CB-CD2 3.78Å; R559-F561 HydrophobicContact CB-CE2 3.49Å; R559-F561 VanDerWaalsContact CB-CE2 3.49Å; R559-F561 HydrophobicContact CB-CZ 4.06Å; R559-F561 HydrophobicContact CG-CE2 4.43Å; R559-F561 PolarHBondContact O-N 2.83Å; F561-N729 PolarHBondContact O-ND2 3.47Å; F561-N729 PolarHBondContact O-OD1 2.88Å; F561-L758 HydrophobicContact CD1-CD1 3.96Å; F561-V773 HydrophobicContact CD1-CG1 3.48Å; F561-V773 VanDerWaalsContact CD1-CG1 3.48Å; F561-V773 HydrophobicContact CE1-CG1 3.87Å; F561-V773 HydrophobicContact CE1-CG2 4.23Å; F561-V773 HydrophobicContact CG-CG1 4.32Å; F561-I777 WeakPolarHBondContact O-CD1 3.37Å
562F67.4Low57.1Low9 Ų925.9 Ų25.94%0.03913%0.134CC..  trans-124.797.5-170.3-50.6-65.5000108.5I554 R621 V751 V754 T755 L758I554-F562 HydrophobicContact CG2-CE2 4.47Å; F562-R621 PolarHBondContact O-N 3.43Å; F562-V751 HydrophobicContact CB-CG2 4.44Å; F562-V751 HydrophobicContact CD1-CG1 4.27Å; F562-V751 HydrophobicContact CD1-CG2 3.95Å; F562-V751 HydrophobicContact CD2-CG1 4.24Å; F562-V751 HydrophobicContact CE1-CB 4.46Å; F562-V751 HydrophobicContact CE1-CG1 3.96Å; F562-V751 HydrophobicContact CE1-CG2 4.39Å; F562-V751 HydrophobicContact CE2-CG1 3.93Å; F562-V751 HydrophobicContact CG-CG1 4.42Å; F562-V751 HydrophobicContact CG-CG2 4.04Å; F562-V751 HydrophobicContact CZ-CG1 3.8Å; F562-V754 HydrophobicContact CD1-CG1 4.48Å; F562-V754 HydrophobicContact CE1-CB 4.32Å; F562-V754 HydrophobicContact CE1-CG1 4.02Å; F562-T755 WeakPolarHBondContact CZ-OG1 3.33Å; F562-L758 HydrophobicContact CE1-CD1 4.25Å; F562-L758 HydrophobicContact CZ-CD1 4.48Å
563T63.2Low55.7Low0 Ų023.9 Ų23.90%011%0.11CC..EExtended strand (participates in β ladder)trans-94.3111.5175.1-57.10000109.1Y500 F525 V565 R621 N729 Q774Y500-T563 HydrophobicContact CE2-CG2 4.37Å; Y500-T563 WeakPolarHBondContact OH-CB 3.44Å; F525-T563 HydrophobicContact CE1-CG2 3.71Å; F525-T563 HydrophobicContact CZ-CG2 4.31Å; T563-V565 HydrophobicContact CG2-CG2 4.41Å; T563-R621 CarbonylContact C-O 3.03Å; T563-R621 WeakPolarHBondContact CA-O 3.38Å; T563-N729 PolarHBondContact N-OD1 2.95Å; T563-N729 PolarHBondContact O-N 3.31Å; T563-Q774 PolarHBondContact OG1-NE2 2.72Å; T563-Q774 VanDerWaalsContact OG1-NE2 3.14Å
564L53.9Low54.1Low11 Ų1120.9 Ų20.96%0.05810%0.096CC..EExtended strand (participates in β ladder)trans-101.496.8179-158.9161.9000108.5R566 R621 V622 G623 V726 L728 F743 V747L564-R566 VanDerWaalsContact C-N 3.35Å; L564-R566 HydrophobicContact CD2-CB 3.68Å; L564-R566 PolarHBondContact O-N 3.27Å; L564-R566 VanDerWaalsContact O-N 3.07Å; L564-R621 PolarHBondContact N-O 2.85Å; L564-V622 WeakPolarHBondContact O-CA 3.43Å; L564-G623 PolarHBondContact O-N 3.22Å; L564-V726 HydrophobicContact CD2-CG1 3.61Å; L564-V726 HydrophobicContact CG-CG1 4.25Å; L564-L728 HydrophobicContact CB-CD1 4.11Å; L564-L728 HydrophobicContact CD1-CD1 4.11Å; L564-L728 HydrophobicContact CG-CD1 4.06Å; L564-F743 HydrophobicContact CD1-CZ 3.78Å; L564-F743 HydrophobicContact CD2-CZ 4.03Å; L564-V747 HydrophobicContact CD1-CG1 4.08Å; L564-V747 HydrophobicContact CD1-CG2 3.73Å
565V52.1Low52.3Low4 Ų420.5 Ų20.52%0.0249%0.093CC..EExtended strand (participates in β ladder)trans-77.790.1170.9153.70000106.8F523 T563 G623 L727F523-V565 HydrophobicContact CD1-CG2 3.95Å; F523-V565 HydrophobicContact CE1-CB 4.08Å; F523-V565 HydrophobicContact CE1-CG1 3.46Å; F523-V565 VanDerWaalsContact CE1-CG1 3.46Å; F523-V565 HydrophobicContact CE1-CG2 3.45Å; F523-V565 VanDerWaalsContact CE1-CG2 3.45Å; F523-V565 HydrophobicContact CZ-CG1 3.77Å; F523-V565 HydrophobicContact CZ-CG2 3.9Å; T563-V565 HydrophobicContact CG2-CG2 4.41Å; V565-G623 CarbonylContact C-O 3.44Å; V565-L727 HydrophobicContact CB-CB 4.06Å; V565-L727 HydrophobicContact CG1-CB 4.13Å; V565-L727 HydrophobicContact CG1-CD1 4Å; V565-L727 HydrophobicContact CG1-CG 4.14Å; V565-L727 PolarHBondContact N-O 3.07Å; V565-L727 PolarHBondContact O-N 2.99Å
566R38.8Very low49.9Very low23 Ų2318.9 Ų18.99%0.0879%0.088CC..  trans-74.6156-176-179.8160.5-171.5143.217.4109.8L564 G623 L624 V726L564-R566 VanDerWaalsContact C-N 3.35Å; L564-R566 HydrophobicContact CD2-CB 3.68Å; L564-R566 PolarHBondContact O-N 3.27Å; L564-R566 VanDerWaalsContact O-N 3.07Å; R566-G623 PolarHBondContact N-O 2.72Å; R566-L624 HydrophobicContact CB-CD2 4.08Å; R566-V726 HydrophobicContact CG-CG2 4.48Å
567S34.3Very low47.5Very low7 Ų718.6 Ų18.65%0.0498%0.082CC..  trans-133.4135.6164.5-100.10000117.1W572 L573 L574 S725S567-W572 CarbonylContact C-O 2.93Å; S567-L573 WeakPolarHBondContact OG-CD1 3.48Å; S567-L573 WeakPolarHBondContact OG-CG 3.16Å; S567-L574 PolarHBondContact OG-N 2.9Å; S567-S725 WeakPolarHBondContact CB-O 3.41Å
568R40.9Very low44.7Very low13 Ų1318.3 Ų18.35%0.0498%0.081CC..  trans-153.7105.6166.2-75.7-136.3173.9-119.44.7117.3W572 L573 L574 L591 T594R568-W572 VanDerWaalsContact CA-CB 3.42Å; R568-W572 VanDerWaalsContact CA-O 3.3Å; R568-W572 WeakPolarHBondContact CA-O 3.28Å; R568-W572 HydrophobicContact CB-CB 3.74Å; R568-W572 HydrophobicContact CB-CD2 3.61Å; R568-W572 HydrophobicContact CB-CE3 3.55Å; R568-W572 HydrophobicContact CB-CG 3.84Å; R568-W572 HydrophobicContact CB-CZ3 4.15Å; R568-W572 HydrophobicContact CG-CB 3.77Å; R568-W572 HydrophobicContact CG-CD2 4.2Å; R568-W572 HydrophobicContact CG-CG 4.06Å; R568-W572 PolarHBondContact N-O 2.9Å; R568-W572 WeakPolarHBondContact O-CZ3 3.5Å; R568-L573 CarbonylContact C-O 3.38Å; R568-L573 VanDerWaalsContact CA-C 3.47Å; R568-L574 HydrophobicContact CB-CB 4.37Å; R568-L574 HydrophobicContact CB-CD1 3.88Å; R568-L574 WeakPolarHBondContact O-CA 3.24Å; R568-L574 WeakPolarHBondContact O-CD1 3.08Å; R568-L574 WeakPolarHBondContact O-CG 3.42Å; R568-L591 PolarHBondContact NH1-O 3.2Å; R568-T594 VanDerWaalsContact NH2-CB 3.28Å; R568-T594 PolarHBondContact NH2-O 3.13Å; R568-T594 PolarHBondContact NH2-OG1 3.02Å
569H28.8Very low41.9Very low34 Ų3419.8 Ų19.816%0.1579%0.093CC..SBendtrans-104.5179.7175-162.7-89.5000113.4R571 W572 L573 V575 H577H569-R571 WeakPolarHBondContact CB-O 3.24Å; H569-R571 CarbonylContact O-C 3.47Å; H569-R571 WeakPolarHBondContact O-CA 3.24Å; H569-R571 PolarHBondContact O-N 3.47Å; H569-W572 WeakPolarHBondContact O-CA 3.44Å; H569-W572 VanDerWaalsContact O-CB 3.25Å; H569-W572 WeakPolarHBondContact O-CB 3.41Å; H569-L573 WeakPolarHBondContact CA-O 3.06Å; H569-L573 HydrophobicContact CB-CB 4.13Å; H569-L573 WeakPolarHBondContact CB-O 3.42Å; H569-L573 PolarHBondContact N-O 3.16Å; H569-V575 VanDerWaalsContact CA-O 3.28Å; H569-V575 WeakPolarHBondContact CA-O 3.17Å; H569-V575 VanDerWaalsContact CB-O 3.26Å; H569-V575 WeakPolarHBondContact CB-O 3.32Å; H569-V575 PolarHBondContact CD2-O 3.06Å; H569-H577 WeakPolarHBondContact CE1-CB 3.46Å; H569-H577 AromaticContact CE1-CG 3.89Å; H569-H577 WeakPolarHBondContact NE2-CB 3.16Å; H569-H577 AromaticContact NE2-CD2 3.85Å; H569-H577 AromaticContact NE2-CG 3.98Å
570F33.8Very low39.4Very low36 Ų3622.5 Ų22.516%0.15812%0.121CC..SBendtrans-59.4-10.8167.7-80.9-76000117I576 H577 G640 Y668 N675 V676F570-I576 HydrophobicContact CD2-CG2 4.12Å; F570-I576 HydrophobicContact CE2-CG2 3.64Å; F570-H577 WeakPolarHBondContact CD2-O 3.42Å; F570-G640 VanDerWaalsContact CE2-O 3.26Å; F570-G640 WeakPolarHBondContact CE2-O 3.45Å; F570-G640 WeakPolarHBondContact CZ-O 3.47Å; F570-Y668 HydrophobicContact CE1-CE1 4.4Å; F570-Y668 AromaticContact CE1-CZ 3.87Å; F570-Y668 WeakPolarHBondContact CE1-OH 3.4Å; F570-Y668 HydrophobicContact CZ-CE2 4.47Å; F570-Y668 AromaticContact CZ-CZ 3.91Å; F570-Y668 WeakPolarHBondContact CZ-OH 3.33Å; F570-N675 HydrophobicContact CD1-CB 4.4Å; F570-V676 HydrophobicContact CE1-CB 3.79Å; F570-V676 HydrophobicContact CE1-CG2 3.81Å; F570-V676 HydrophobicContact CZ-CB 3.61Å; F570-V676 HydrophobicContact CZ-CG2 3.82Å
571R24.2Very low37Very low83 Ų8327.8 Ų27.831%0.31315%0.154SC..SBendtrans-142121.9139.8-154.6-177.6-117.2147-9.9110.4H569 L573 Y586 L587 P588 L591H569-R571 WeakPolarHBondContact CB-O 3.24Å; H569-R571 CarbonylContact O-C 3.47Å; H569-R571 WeakPolarHBondContact O-CA 3.24Å; H569-R571 PolarHBondContact O-N 3.47Å; R571-L573 PolarHBondContact O-N 3.38Å; R571-Y586 PolarHBondContact NH1-O 3.27Å; R571-L587 VanDerWaalsContact CZ-CB 3.43Å; R571-L587 PolarHBondContact NH2-O 3.42Å; R571-P588 PolarHBondContact NH2-O 2.87Å; R571-L591 HydrophobicContact CG-CD1 3.8Å
572W27.9Very low34.6Very low33 Ų3335 Ų3513%0.12519%0.193CC..SBend-8795.2-113.3-86.3115.5000117.3S567 R568 H569 L591 A595 Y668 P724S567-W572 CarbonylContact C-O 2.93Å; R568-W572 VanDerWaalsContact CA-CB 3.42Å; R568-W572 VanDerWaalsContact CA-O 3.3Å; R568-W572 WeakPolarHBondContact CA-O 3.28Å; R568-W572 HydrophobicContact CB-CB 3.74Å; R568-W572 HydrophobicContact CB-CD2 3.61Å; R568-W572 HydrophobicContact CB-CE3 3.55Å; R568-W572 HydrophobicContact CB-CG 3.84Å; R568-W572 HydrophobicContact CB-CZ3 4.15Å; R568-W572 HydrophobicContact CG-CB 3.77Å; R568-W572 HydrophobicContact CG-CD2 4.2Å; R568-W572 HydrophobicContact CG-CG 4.06Å; R568-W572 PolarHBondContact N-O 2.9Å; R568-W572 WeakPolarHBondContact O-CZ3 3.5Å; H569-W572 WeakPolarHBondContact O-CA 3.44Å; H569-W572 VanDerWaalsContact O-CB 3.25Å; H569-W572 WeakPolarHBondContact O-CB 3.41Å; W572-L591 PolarHBondContact NE1-O 3.46Å; W572-A595 HydrophobicContact CD2-CB 4.44Å; W572-A595 VanDerWaalsContact CE2-CB 3.44Å; W572-A595 HydrophobicContact CH2-CB 4.25Å; W572-A595 HydrophobicContact CZ2-CB 3.3Å; W572-Y668 HydrophobicContact CH2-CD2 4.38Å; W572-Y668 AromaticContact CH2-CE1 3.81Å; W572-Y668 HydrophobicContact CH2-CE1 3.81Å; W572-Y668 AromaticContact CH2-CE2 3.6Å; W572-Y668 HydrophobicContact CH2-CE2 3.6Å; W572-Y668 AromaticContact CH2-CZ 3.24Å; W572-Y668 WeakPolarHBondContact CH2-OH 3.45Å; W572-Y668 HydrophobicContact CZ2-CD1 4.41Å; W572-Y668 AromaticContact CZ2-CE1 3.64Å; W572-Y668 HydrophobicContact CZ2-CE1 3.64Å; W572-Y668 HydrophobicContact CZ2-CE2 4.29Å; W572-Y668 AromaticContact CZ2-CZ 3.55Å; W572-Y668 WeakPolarHBondContact CZ2-OH 3.41Å; W572-Y668 HydrophobicContact CZ3-CE2 4.33Å; W572-Y668 WeakPolarHBondContact CZ3-OH 3.43Å; W572-P724 VanDerWaalsContact O-CB 3.28Å; W572-P724 WeakPolarHBondContact O-CB 3.37Å; W572-P724 VanDerWaalsContact O-CG 3.32Å; W572-P724 WeakPolarHBondContact O-CG 3.47Å
573L25.5Very low32.7Very low11 Ų1138.9 Ų38.96%0.05823%0.226CC..SBendtrans-105.4128.2153.5-175.994.3000116S567 R568 H569 R571 V575 L723 S725S567-L573 WeakPolarHBondContact OG-CD1 3.48Å; S567-L573 WeakPolarHBondContact OG-CG 3.16Å; R568-L573 CarbonylContact C-O 3.38Å; R568-L573 VanDerWaalsContact CA-C 3.47Å; H569-L573 WeakPolarHBondContact CA-O 3.06Å; H569-L573 HydrophobicContact CB-CB 4.13Å; H569-L573 WeakPolarHBondContact CB-O 3.42Å; H569-L573 PolarHBondContact N-O 3.16Å; R571-L573 PolarHBondContact O-N 3.38Å; L573-V575 VanDerWaalsContact C-N 3.28Å; L573-V575 HydrophobicContact CB-CG2 4.38Å; L573-V575 HydrophobicContact CD2-CB 3.94Å; L573-V575 HydrophobicContact CD2-CG2 3.37Å; L573-V575 HydrophobicContact CG-CB 4.36Å; L573-V575 HydrophobicContact CG-CG2 3.56Å; L573-V575 CarbonylContact O-C 3.57Å; L573-V575 VanDerWaalsContact O-CA 3.32Å; L573-V575 WeakPolarHBondContact O-CA 3.42Å; L573-V575 WeakPolarHBondContact O-CB 3.41Å; L573-V575 PolarHBondContact O-N 2.76Å; L573-L723 HydrophobicContact CB-CB 3.92Å; L573-L723 HydrophobicContact CD1-CB 4.25Å; L573-L723 HydrophobicContact CD1-CD2 3.9Å; L573-L723 HydrophobicContact CD2-CB 3.84Å; L573-L723 HydrophobicContact CD2-CD1 3.89Å; L573-L723 HydrophobicContact CD2-CD2 3.51Å; L573-L723 HydrophobicContact CD2-CG 3.89Å; L573-L723 HydrophobicContact CG-CB 4.2Å; L573-L723 HydrophobicContact CG-CD2 4.26Å; L573-S725 VanDerWaalsContact CD1-N 3.33Å
574L28.9Very low30.9Very low19 Ų1950.1 Ų50.110%0.09927%0.268CS..SBendtrans-8582.5-156.6-155.2127.8000110.8S567 R568 L624 I625 L626S567-L574 PolarHBondContact OG-N 2.9Å; R568-L574 HydrophobicContact CB-CB 4.37Å; R568-L574 HydrophobicContact CB-CD1 3.88Å; R568-L574 WeakPolarHBondContact O-CA 3.24Å; R568-L574 WeakPolarHBondContact O-CD1 3.08Å; R568-L574 WeakPolarHBondContact O-CG 3.42Å; L574-L624 HydrophobicContact CB-CD2 4.4Å; L574-L624 HydrophobicContact CD1-CD2 4.37Å; L574-L624 HydrophobicContact CD2-CB 3.52Å; L574-L624 HydrophobicContact CD2-CD1 4.13Å; L574-L624 HydrophobicContact CD2-CD2 3.79Å; L574-L624 HydrophobicContact CD2-CG 3.97Å; L574-L624 HydrophobicContact CG-CD2 4.39Å; L574-I625 CarbonylContact C-O 3.55Å; L574-I625 WeakPolarHBondContact CD2-O 3.47Å; L574-I625 CarbonylContact O-C 3.54Å; L574-I625 VanDerWaalsContact O-CA 3.24Å; L574-I625 WeakPolarHBondContact O-CA 3.16Å; L574-I625 WeakPolarHBondContact O-CB 3.47Å; L574-I625 PolarHBondContact O-N 3.33Å; L574-L626 HydrophobicContact CD2-CD2 4.08Å
575V26.9Very low29.6Very low4 Ų460 Ų602%0.02431%0.305CS..SBendtrans-174.392-153.9-147.1000096.7H569 L573 I625 L626 A627 W711H569-V575 VanDerWaalsContact CA-O 3.28Å; H569-V575 WeakPolarHBondContact CA-O 3.17Å; H569-V575 VanDerWaalsContact CB-O 3.26Å; H569-V575 WeakPolarHBondContact CB-O 3.32Å; H569-V575 PolarHBondContact CD2-O 3.06Å; L573-V575 VanDerWaalsContact C-N 3.28Å; L573-V575 HydrophobicContact CB-CG2 4.38Å; L573-V575 HydrophobicContact CD2-CB 3.94Å; L573-V575 HydrophobicContact CD2-CG2 3.37Å; L573-V575 HydrophobicContact CG-CB 4.36Å; L573-V575 HydrophobicContact CG-CG2 3.56Å; L573-V575 CarbonylContact O-C 3.57Å; L573-V575 VanDerWaalsContact O-CA 3.32Å; L573-V575 WeakPolarHBondContact O-CA 3.42Å; L573-V575 WeakPolarHBondContact O-CB 3.41Å; L573-V575 PolarHBondContact O-N 2.76Å; V575-I625 HydrophobicContact CG1-CB 4.39Å; V575-I625 HydrophobicContact CG1-CG2 4.39Å; V575-I625 HydrophobicContact CG2-CB 4.17Å; V575-I625 PolarHBondContact N-O 3.47Å; V575-L626 VanDerWaalsContact CA-C 3.47Å; V575-L626 VanDerWaalsContact CA-CA 3.44Å; V575-A627 VanDerWaalsContact CA-CB 3.48Å; V575-A627 HydrophobicContact CB-CB 3.43Å; V575-A627 VanDerWaalsContact CB-CB 3.43Å; V575-A627 HydrophobicContact CG1-CB 3.29Å; V575-A627 WeakPolarHBondContact O-CB 3.28Å; V575-W711 HydrophobicContact CG1-CB 3.36Å; V575-W711 HydrophobicContact CG1-CD2 3.51Å; V575-W711 HydrophobicContact CG1-CE3 3.5Å; V575-W711 HydrophobicContact CG1-CG 3.47Å; V575-W711 VanDerWaalsContact CG1-CG 3.47Å; V575-W711 HydrophobicContact CG1-CZ3 4.42Å
576I24.8Very low28.2Very low10 Ų1068.9 Ų68.95%0.05134%0.34CS..  trans-77.9134.7178.3-6.4155.5000115.3F570 L626 A627 T628 G641 L644 L645F570-I576 HydrophobicContact CD2-CG2 4.12Å; F570-I576 HydrophobicContact CE2-CG2 3.64Å; I576-L626 HydrophobicContact CD1-CB 4.19Å; I576-L626 HydrophobicContact CD1-CD1 4.38Å; I576-L626 HydrophobicContact CD1-CD2 3.54Å; I576-L626 HydrophobicContact CD1-CG 4.19Å; I576-L626 HydrophobicContact CG1-CB 3.96Å; I576-L626 HydrophobicContact CG1-CD2 3.33Å; I576-L626 HydrophobicContact CG1-CG 4.13Å; I576-A627 CarbonylContact O-C 3.53Å; I576-A627 WeakPolarHBondContact O-CA 3.42Å; I576-A627 WeakPolarHBondContact O-CB 3.41Å; I576-A627 PolarHBondContact O-N 3.17Å; I576-T628 WeakPolarHBondContact O-CA 3.46Å; I576-T628 WeakPolarHBondContact O-CG2 3.46Å; I576-T628 PolarHBondContact O-N 2.9Å; I576-G641 WeakPolarHBondContact CB-O 3.26Å; I576-L644 HydrophobicContact CD1-CD2 3.45Å; I576-L644 VanDerWaalsContact CD1-CD2 3.45Å; I576-L644 HydrophobicContact CG1-CD2 4.45Å; I576-L644 HydrophobicContact CG2-CD2 4.26Å; I576-L645 HydrophobicContact CD1-CB 4.24Å
577H25.4Very low27.5Very low45 Ų4573.8 Ų73.821%0.20837%0.367CS..  trans-125.5119.6-176.8-159.6-69000114.5H569 F570 A627 G641 W711H569-H577 WeakPolarHBondContact CE1-CB 3.46Å; H569-H577 AromaticContact CE1-CG 3.89Å; H569-H577 WeakPolarHBondContact NE2-CB 3.16Å; H569-H577 AromaticContact NE2-CD2 3.85Å; H569-H577 AromaticContact NE2-CG 3.98Å; F570-H577 WeakPolarHBondContact CD2-O 3.42Å; H577-A627 HydrophobicContact CB-CB 4.15Å; H577-A627 PolarHBondContact CD2-O 3.03Å; H577-G641 WeakPolarHBondContact O-CA 3.47Å; H577-G641 PolarHBondContact O-N 3.26Å; H577-W711 AromaticContact CD2-CZ2 3.91Å
578F26.1Very low27.1Very low0 Ų076.2 Ų76.20%038%0.383CS..  trans-78.9167.1172.5-98.2-134.4000108.3G636 D639 G640 G641 V642 A643 L644 S678 V681F578-G636 WeakPolarHBondContact CE1-O 3.4Å; F578-D639 WeakPolarHBondContact CA-OD2 3.34Å; F578-D639 HydrophobicContact CB-CB 3.22Å; F578-D639 WeakPolarHBondContact CB-OD2 3.4Å; F578-D639 HydrophobicContact CD1-CB 3.21Å; F578-D639 WeakPolarHBondContact CD1-O 3.4Å; F578-D639 HydrophobicContact CE1-CB 4.25Å; F578-D639 WeakPolarHBondContact CE1-O 3.37Å; F578-D639 HydrophobicContact CG-CB 3.64Å; F578-D639 WeakPolarHBondContact CZ-O 3.38Å; F578-G640 VanDerWaalsContact CD1-N 3.28Å; F578-G640 WeakPolarHBondContact CD2-O 3.3Å; F578-G640 WeakPolarHBondContact CE2-O 3.35Å; F578-G641 VanDerWaalsContact N-C 3.3Å; F578-V642 HydrophobicContact CB-CB 3.43Å; F578-V642 VanDerWaalsContact CB-CB 3.43Å; F578-V642 HydrophobicContact CB-CG2 3.47Å; F578-V642 VanDerWaalsContact CB-CG2 3.47Å; F578-V642 HydrophobicContact CD1-CB 4.27Å; F578-V642 VanDerWaalsContact CD2-C 3.47Å; F578-V642 HydrophobicContact CD2-CB 4.27Å; F578-V642 HydrophobicContact CG-CB 3.72Å; F578-V642 HydrophobicContact CG-CG2 4.38Å; F578-A643 HydrophobicContact CD1-CB 3.63Å; F578-A643 VanDerWaalsContact CD1-N 3.33Å; F578-A643 HydrophobicContact CD2-CB 3.84Å; F578-A643 HydrophobicContact CE1-CB 3.14Å; F578-A643 HydrophobicContact CE2-CB 3.4Å; F578-A643 HydrophobicContact CG-CB 4.27Å; F578-A643 HydrophobicContact CZ-CB 3.16Å; F578-L644 HydrophobicContact CE2-CB 4.1Å; F578-S678 VanDerWaalsContact CE1-CA 3.46Å; F578-S678 VanDerWaalsContact CZ-CA 3.49Å; F578-V681 HydrophobicContact CE2-CB 4.4Å; F578-V681 HydrophobicContact CE2-CG2 3.92Å; F578-V681 HydrophobicContact CZ-CB 4.11Å; F578-V681 HydrophobicContact CZ-CG2 3.93Å
579A25Very low26.4Very low38 Ų3883.1 Ų83.131%0.31441%0.413SS..  trans72.9140.9-171.300000122.1D639A579-D639 HydrophobicContact CB-CB 4.3Å; A579-D639 WeakPolarHBondContact CB-OD1 3.2Å; A579-D639 VanDerWaalsContact CB-OD2 3.26Å; A579-D639 WeakPolarHBondContact CB-OD2 3.32Å; A579-D639 PolarHBondContact N-OD2 3.23Å
580A28Very low26.5Very low83 Ų8382.8 Ų82.869%0.68641%0.412SS*.  trans-51.5176.7153.200000114
581T26.4Very low26.3Very low116 Ų11683.3 Ų83.371%0.71242%0.417SS*.  cis-143.9-20.717.6-34.20000115
582D25.5Very low26.6Very low157 Ų15781.3 Ų81.384%0.8442%0.418SS*.  trans-99.96.5-156.6-87.6-46.1000117.6R584D582-R584 PolarHBondContact O-N 2.87Å
583A27.5Very low26.8Very low89 Ų8983.3 Ų83.374%0.73643%0.434SS*.  trans-70.417.6-172.200000116.4R585A583-R585 VanDerWaalsContact C-N 3.31Å; A583-R585 PolarHBondContact O-N 3.28Å; A583-R585 VanDerWaalsContact O-N 3.08Å
584R24.2Very low27.1Very low236 Ų23683.3 Ų83.389%0.89143%0.434SS*.THydrogen-bonded Turntrans-72.13.3-164.9-77.9-169.8174.6-166.1-1117.6D582D582-R584 PolarHBondContact O-N 2.87Å
585R26.1Very low27.3Very low219 Ų21982.8 Ų82.883%0.82643%0.433SS*.THydrogen-bonded Turntrans-113.4-15.5-168.3-82.9-173170.5166.5-0.3118.8A583A583-R585 VanDerWaalsContact C-N 3.31Å; A583-R585 PolarHBondContact O-N 3.28Å; A583-R585 VanDerWaalsContact O-N 3.08Å
586Y24Very low27.8Very low191 Ų19186.2 Ų86.275%0.74945%0.448SS*.SBendtrans-144.8155.2-176.8-63.2-74.3000114.3R571R571-Y586 PolarHBondContact NH1-O 3.27Å
587L24.5Very low28.4Very low125 Ų12591.1 Ų91.165%0.65447%0.471SS*.  trans66.6154.6-178.3-76.193.8000118.5R571R571-L587 VanDerWaalsContact CZ-CB 3.43Å; R571-L587 PolarHBondContact NH2-O 3.42Å
588P25Very low29Very low59 Ų5990.1 Ų90.138%0.38347%0.467SS..  trans-94.3-173.3-175.31.122.3000114.7R571R571-P588 PolarHBondContact NH2-O 2.87Å
589F26.8Very low29.7Very low158 Ų15892.9 Ų92.969%0.69348%0.479SS*.SBendtrans-73.9-24-171.1-110.2-114.9000116.4L591 P1326F589-L591 PolarHBondContact O-N 2.91Å; F589-P1326 HydrophobicContact CB-CB 4.03Å; F589-P1326 HydrophobicContact CB-CG 4.38Å
590N31.1Very low30.4Very low26 Ų2692.5 Ų92.514%0.13947%0.474CS..THydrogen-bonded Turntrans-71.89-152.2-43.8-7.2000116.7T594 F1329N590-T594 PolarHBondContact O-OG1 3.24Å; N590-F1329 HydrophobicContact CB-CE2 4.16Å; N590-F1329 HydrophobicContact CB-CZ 4.1Å; N590-F1329 VanDerWaalsContact CG-CE2 3.4Å; N590-F1329 VanDerWaalsContact ND2-CE2 3.26Å; N590-F1329 WeakPolarHBondContact ND2-CE2 3.23Å; N590-F1329 WeakPolarHBondContact ND2-CZ 3.28Å
591L29.5Very low31Very low48 Ų4894 Ų9425%0.25147%0.465SS..THydrogen-bonded Turntrans-96.3-2.2-173.1-82.3166.6000114.1R568 R571 W572 F589R568-L591 PolarHBondContact NH1-O 3.2Å; R571-L591 HydrophobicContact CG-CD1 3.8Å; W572-L591 PolarHBondContact NE1-O 3.46Å; F589-L591 PolarHBondContact O-N 2.91Å
592A29.8Very low31.6Very low40 Ų4091.6 Ų91.633%0.33145%0.448SS..THydrogen-bonded Turntrans-81.8-58.5176.300000112.5T594 A595 Q596A592-T594 PolarHBondContact O-N 2.83Å; A592-A595 WeakPolarHBondContact O-CA 3.39Å; A592-A595 VanDerWaalsContact O-CB 3.29Å; A592-A595 WeakPolarHBondContact O-CB 3.27Å; A592-A595 PolarHBondContact O-N 2.79Å; A592-Q596 PolarHBondContact O-N 3.41Å; A592-Q596 VanDerWaalsContact O-N 3.09Å
593T31.9Very low32.2Very low75 Ų7588.9 Ų88.946%0.4643%0.426SS..Hα-helixtrans-52.8-50.9176.537.70000111.7A595 Q596 E597T593-A595 PolarHBondContact O-N 2.62Å; T593-Q596 CarbonylContact O-C 3.6Å; T593-Q596 WeakPolarHBondContact O-CA 3.38Å; T593-Q596 WeakPolarHBondContact O-CB 3.48Å; T593-Q596 PolarHBondContact O-N 2.89Å; T593-E597 WeakPolarHBondContact O-CG 3.48Å; T593-E597 PolarHBondContact O-N 3.19Å
594T32.7Very low32.7Very low12 Ų1288.9 Ų88.97%0.07441%0.413CS..Hα-helixtrans-62.1-17.9177.658.90000114.5R568 N590 A592 I598 S740R568-T594 VanDerWaalsContact NH2-CB 3.28Å; R568-T594 PolarHBondContact NH2-O 3.13Å; R568-T594 PolarHBondContact NH2-OG1 3.02Å; N590-T594 PolarHBondContact O-OG1 3.24Å; A592-T594 PolarHBondContact O-N 2.83Å; T594-I598 WeakPolarHBondContact O-CD1 3.34Å; T594-I598 WeakPolarHBondContact O-CG1 3.32Å; T594-S740 VanDerWaalsContact CG2-OG 3.23Å; T594-S740 WeakPolarHBondContact CG2-OG 3.47Å
595A32.9Very low33.3Very low8 Ų881.6 Ų81.67%0.06639%0.385CS..Hα-helixtrans-78.4-49.1167.500000110.4W572 A592 T593 E597 F599W572-A595 HydrophobicContact CD2-CB 4.44Å; W572-A595 VanDerWaalsContact CE2-CB 3.44Å; W572-A595 HydrophobicContact CH2-CB 4.25Å; W572-A595 HydrophobicContact CZ2-CB 3.3Å; A592-A595 WeakPolarHBondContact O-CA 3.39Å; A592-A595 VanDerWaalsContact O-CB 3.29Å; A592-A595 WeakPolarHBondContact O-CB 3.27Å; A592-A595 PolarHBondContact O-N 2.79Å; T593-A595 PolarHBondContact O-N 2.62Å; A595-E597 VanDerWaalsContact C-N 3.33Å; A595-E597 PolarHBondContact O-N 3.23Å; A595-F599 VanDerWaalsContact O-CB 3.28Å; A595-F599 WeakPolarHBondContact O-CB 3.22Å; A595-F599 PolarHBondContact O-N 3.04Å
596Q36.3Very low33.8Very low75 Ų7574.5 Ų74.535%0.3536%0.361SS..Hα-helixtrans-63-37-177.1-157156.9-7.900111.8A592 T593 C600A592-Q596 PolarHBondContact O-N 3.41Å; A592-Q596 VanDerWaalsContact O-N 3.09Å; T593-Q596 CarbonylContact O-C 3.6Å; T593-Q596 WeakPolarHBondContact O-CA 3.38Å; T593-Q596 WeakPolarHBondContact O-CB 3.48Å; T593-Q596 PolarHBondContact O-N 2.89Å; Q596-C600 WeakPolarHBondContact O-CB 3.39Å; Q596-C600 PolarHBondContact O-N 3.14Å; Q596-C600 PolarHBondContact O-SG 2.57Å
597E37.6Very low34.2Very low113 Ų11368.9 Ų68.953%0.52835%0.347SS..Hα-helixtrans-74.5-48.2176.5-69.8175.2109.600113.2T593 A595 F599 C600 K601T593-E597 WeakPolarHBondContact O-CG 3.48Å; T593-E597 PolarHBondContact O-N 3.19Å; A595-E597 VanDerWaalsContact C-N 3.33Å; A595-E597 PolarHBondContact O-N 3.23Å; E597-F599 VanDerWaalsContact C-N 3.29Å; E597-F599 PolarHBondContact O-N 2.81Å; E597-C600 CarbonylContact O-C 3.59Å; E597-C600 PolarHBondContact O-N 2.83Å; E597-C600 VanDerWaalsContact O-N 3.07Å; E597-K601 PolarHBondContact O-N 3.45Å
598I38.7Very low34.5Very low25 Ų2566 Ų6613%0.12834%0.337CS..Hα-helixtrans-62.2-42.5176.2-62.1169.9000109.8T594 C600 K601 L602T594-I598 WeakPolarHBondContact O-CD1 3.34Å; T594-I598 WeakPolarHBondContact O-CG1 3.32Å; I598-C600 VanDerWaalsContact C-N 3.31Å; I598-C600 PolarHBondContact O-N 2.83Å; I598-K601 PolarHBondContact O-N 3Å; I598-L602 HydrophobicContact CG2-CD1 4.28Å; I598-L602 WeakPolarHBondContact O-CG 3.32Å; I598-L602 PolarHBondContact O-N 3.21Å
599F41Very low34.8Very low58 Ų5870 Ų7025%0.25436%0.361SS..Hα-helixtrans-73.2-21.2176.1-129.8-65.1000112.4A595 E597 R603 L661 L665A595-F599 VanDerWaalsContact O-CB 3.28Å; A595-F599 WeakPolarHBondContact O-CB 3.22Å; A595-F599 PolarHBondContact O-N 3.04Å; E597-F599 VanDerWaalsContact C-N 3.29Å; E597-F599 PolarHBondContact O-N 2.81Å; F599-R603 WeakPolarHBondContact O-CB 3.38Å; F599-R603 PolarHBondContact O-N 3.49Å; F599-L661 HydrophobicContact CE1-CB 4.42Å; F599-L661 HydrophobicContact CZ-CB 4.46Å; F599-L661 HydrophobicContact CZ-CD1 4.24Å; F599-L661 HydrophobicContact CZ-CD2 3.93Å; F599-L661 HydrophobicContact CZ-CG 4.44Å; F599-L665 HydrophobicContact CB-CD2 3.93Å; F599-L665 HydrophobicContact CD1-CD1 3.82Å; F599-L665 HydrophobicContact CD1-CD2 3.73Å; F599-L665 HydrophobicContact CD1-CG 3.82Å; F599-L665 HydrophobicContact CE1-CD1 4.11Å; F599-L665 HydrophobicContact CE1-CG 4.28Å; F599-L665 HydrophobicContact CG-CD2 4.08Å
600C38.7Very low34.8Very low30 Ų3070.5 Ų70.520%0.20336%0.362CS..Hα-helixtrans-80-36.1168.7-77.50000113.4Q596 E597 I598 L602 R603 N604Q596-C600 WeakPolarHBondContact O-CB 3.39Å; Q596-C600 PolarHBondContact O-N 3.14Å; Q596-C600 PolarHBondContact O-SG 2.57Å; E597-C600 CarbonylContact O-C 3.59Å; E597-C600 PolarHBondContact O-N 2.83Å; E597-C600 VanDerWaalsContact O-N 3.07Å; I598-C600 VanDerWaalsContact C-N 3.31Å; I598-C600 PolarHBondContact O-N 2.83Å; C600-L602 VanDerWaalsContact C-N 3.3Å; C600-L602 PolarHBondContact O-N 2.8Å; C600-R603 PolarHBondContact O-N 2.63Å; C600-N604 VanDerWaalsContact O-CB 3.25Å; C600-N604 WeakPolarHBondContact O-CB 3.39Å; C600-N604 PolarHBondContact O-N 3.42Å; C600-N604 PolarHBondContact O-ND2 2.95Å; C600-N604 PolarHBondContact O-OD1 3.48Å
601K40.8Very low34.6Very low113 Ų11373.3 Ų73.349%0.49139%0.39SS..Hα-helixtrans-55.7-48.6167.3-78.5-177.5169.6-176.70109.5E597 I598 R605 E744E597-K601 PolarHBondContact O-N 3.45Å; I598-K601 PolarHBondContact O-N 3Å; K601-R605 PolarHBondContact O-N 3.02Å; K601-E744 IonicContact NZ-OE2 2.72Å; K601-E744 PolarHBondContact NZ-OE2 3.35Å
602L39.3Very low34.5Very low67 Ų6778.9 Ų78.935%0.35141%0.414SS..Hα-helixtrans-62.8-48.6173.4-70.6166.8000112.4I598 C600 N604 R605 F606I598-L602 HydrophobicContact CG2-CD1 4.28Å; I598-L602 WeakPolarHBondContact O-CG 3.32Å; I598-L602 PolarHBondContact O-N 3.21Å; C600-L602 VanDerWaalsContact C-N 3.3Å; C600-L602 PolarHBondContact O-N 2.8Å; L602-N604 VanDerWaalsContact C-N 3.33Å; L602-N604 PolarHBondContact O-N 2.94Å; L602-R605 PolarHBondContact O-N 3.41Å; L602-F606 HydrophobicContact CD2-CE2 4.49Å; L602-F606 WeakPolarHBondContact O-CD2 3.38Å; L602-F606 PolarHBondContact O-N 2.74Å
603R37.3Very low34.3Very low100 Ų10086.5 Ų86.538%0.37743%0.434SS..Hα-helixtrans-56.4-46.9178.7-174.2-172.576.6178.34.9111.4F599 C600 R605 F606 T607 L665F599-R603 WeakPolarHBondContact O-CB 3.38Å; F599-R603 PolarHBondContact O-N 3.49Å; C600-R603 PolarHBondContact O-N 2.63Å; R603-R605 VanDerWaalsContact C-N 3.3Å; R603-R605 PolarHBondContact O-N 2.95Å; R603-F606 CarbonylContact O-C 3.52Å; R603-F606 PolarHBondContact O-N 3.36Å; R603-F606 VanDerWaalsContact O-N 3.1Å; R603-T607 HydrophobicContact CG-CG2 4.24Å; R603-T607 WeakPolarHBondContact O-CG2 3.43Å; R603-T607 PolarHBondContact O-N 3.47Å; R603-T607 PolarHBondContact O-OG1 2.8Å; R603-L665 HydrophobicContact CB-CD1 4.12Å; R603-L665 HydrophobicContact CG-CD1 3.99Å
604N38Very low34.2Very low89 Ų8990.2 Ų90.248%0.47645%0.446SS..Hα-helixtrans-67.3-31.4-176.3-65.8-4.2000111.5C600 L602 S608C600-N604 VanDerWaalsContact O-CB 3.25Å; C600-N604 WeakPolarHBondContact O-CB 3.39Å; C600-N604 PolarHBondContact O-N 3.42Å; C600-N604 PolarHBondContact O-ND2 2.95Å; C600-N604 PolarHBondContact O-OD1 3.48Å; L602-N604 VanDerWaalsContact C-N 3.33Å; L602-N604 PolarHBondContact O-N 2.94Å; N604-S608 WeakPolarHBondContact O-CB 3.41Å; N604-S608 PolarHBondContact O-N 3.47Å
605R37.9Very low34.7Very low82 Ų8294.6 Ų94.631%0.30947%0.469SS..Hα-helixtrans-64.5-52.6164.6-82.5-175.2160.9138.75.3111.8K601 L602 R603 T607 W613 D616K601-R605 PolarHBondContact O-N 3.02Å; L602-R605 PolarHBondContact O-N 3.41Å; R603-R605 VanDerWaalsContact C-N 3.3Å; R603-R605 PolarHBondContact O-N 2.95Å; R605-T607 VanDerWaalsContact C-N 3.27Å; R605-T607 PolarHBondContact O-N 3.48Å; R605-W613 PolarHBondContact NE-O 2.74Å; R605-W613 PolarHBondContact NH2-O 2.77Å; R605-D616 IonicContact CZ-OD2 2.61Å; R605-D616 IonicContact NH1-OD2 2.68Å; R605-D616 IonicContact NH2-OD2 2.59Å; R605-D616 PolarHBondContact NH2-OD2 2.87Å
606F35.7Very low35.2Very low70 Ų7098.6 Ų98.631%0.30749%0.49SS..THydrogen-bonded Turntrans-76.58.7-178-75.5-72000116.3V526 L602 R603V526-F606 HydrophobicContact CG1-CZ 4.46Å; L602-F606 HydrophobicContact CD2-CE2 4.49Å; L602-F606 WeakPolarHBondContact O-CD2 3.38Å; L602-F606 PolarHBondContact O-N 2.74Å; R603-F606 CarbonylContact O-C 3.52Å; R603-F606 PolarHBondContact O-N 3.36Å; R603-F606 VanDerWaalsContact O-N 3.1Å
607T33Very low35.8Very low74 Ų7497.5 Ų97.545%0.45448%0.484SS..THydrogen-bonded Turntrans-135.7-0.7176.264.20000115.4R603 R605R603-T607 HydrophobicContact CG-CG2 4.24Å; R603-T607 WeakPolarHBondContact O-CG2 3.43Å; R603-T607 PolarHBondContact O-N 3.47Å; R603-T607 PolarHBondContact O-OG1 2.8Å; R605-T607 VanDerWaalsContact C-N 3.27Å; R605-T607 PolarHBondContact O-N 3.48Å
608S31.4Very low36.5Very low65 Ų6594 Ų9446%0.45547%0.47SS..  trans-84.4118.1177.2-178.40000111.4N604 K610N604-S608 WeakPolarHBondContact O-CB 3.41Å; N604-S608 PolarHBondContact O-N 3.47Å; S608-K610 PolarHBondContact O-N 3.38Å; S608-K610 PolarHBondContact OG-N 3.44Å
609T31.1Very low37.8Very low143 Ų14393 Ų9388%0.87747%0.466SS*.  trans-86.215.9169.1450000113.1
610K26.2Very low39.1Very low167 Ų16790.5 Ų90.573%0.72646%0.455SS*.SBendtrans-140.486.4-179.4-70.3-168.9175.5-177.20115.2S608 H612S608-K610 PolarHBondContact O-N 3.38Å; S608-K610 PolarHBondContact OG-N 3.44Å; K610-H612 PolarHBondContact O-N 2.99Å
611A26.7Very low40.7Very low86 Ų8690.6 Ų90.671%0.71145%0.451SS*.SBend72.84.411500000124
612H27.3Very low42Very low165 Ų16587.2 Ų87.276%0.76444%0.44SS*.SBendtrans-145.419.3-176.2-90.9-51.3000120K610K610-H612 PolarHBondContact O-N 2.99Å
613W25.9Very low43.4Very low200 Ų20084 Ų8476%0.75842%0.423SS*.  trans-144.141.4-170.6-50.9100.5000116.8R605R605-W613 PolarHBondContact NE-O 2.74Å; R605-W613 PolarHBondContact NH2-O 2.77Å
614E29.5Very low44.9Very low153 Ų15379.7 Ų79.772%0.71541%0.408SS*.  trans-85.3-23.8-161.5-62.9-167.712900117.7T618E614-T618 WeakPolarHBondContact O-CG2 3.42Å; E614-T618 PolarHBondContact O-OG1 3.46Å; E614-T618 VanDerWaalsContact O-OG1 3.05Å
615D42.6Very low46.3Very low103 Ų10376.7 Ų76.755%0.55139%0.391SS*.  trans-81.1-48.9-152.4-64.9-61.9000118.2M553 F617M553-D615 HydrophobicContact CE-CB 4.15Å; D615-F617 PolarHBondContact O-N 3.29Å
616D44.3Very low47.7Very low93 Ų9373.7 Ų73.750%0.49738%0.381SS..THydrogen-bonded Turntrans-68.4-30.1-148.8-42.7-71.2000117.7R605R605-D616 IonicContact CZ-OD2 2.61Å; R605-D616 IonicContact NH1-OD2 2.68Å; R605-D616 IonicContact NH2-OD2 2.59Å; R605-D616 PolarHBondContact NH2-OD2 2.87Å
617F47.7Very low49.1Very low51 Ų5170.3 Ų70.322%0.22437%0.366CS..THydrogen-bonded Turntrans-139.212.1-171.5-75.9-74.4000115.4I554 D615 S619 E744 V747 V748I554-F617 HydrophobicContact CD1-CD1 3.99Å; I554-F617 HydrophobicContact CD1-CE1 3.91Å; D615-F617 PolarHBondContact O-N 3.29Å; F617-S619 PolarHBondContact O-N 3.07Å; F617-E744 HydrophobicContact CD2-CG 4.31Å; F617-E744 HydrophobicContact CE2-CB 3.6Å; F617-E744 HydrophobicContact CE2-CG 3.53Å; F617-E744 WeakPolarHBondContact CE2-OE1 3.3Å; F617-E744 HydrophobicContact CZ-CB 3.53Å; F617-E744 HydrophobicContact CZ-CG 3.81Å; F617-E744 WeakPolarHBondContact CZ-O 3.47Å; F617-V747 HydrophobicContact CD1-CG1 4.49Å; F617-V747 HydrophobicContact CE1-CB 4.24Å; F617-V747 HydrophobicContact CE1-CG1 3.93Å; F617-V748 HydrophobicContact CE1-CG2 4.12Å; F617-V748 HydrophobicContact CZ-CG2 3.88Å
618T54.2Low51.1Low40 Ų4066.8 Ų66.825%0.24535%0.345CS..THydrogen-bonded Turntrans-69.8-16.7-17440.60000114L529 Y535 W538 E614L529-T618 WeakPolarHBondContact CD2-O 3.42Å; Y535-T618 WeakPolarHBondContact CE1-O 3.39Å; W538-T618 WeakPolarHBondContact CH2-OG1 3.28Å; E614-T618 WeakPolarHBondContact O-CG2 3.42Å; E614-T618 PolarHBondContact O-OG1 3.46Å; E614-T618 VanDerWaalsContact O-OG1 3.05Å
619S64.2Low53.3Low5 Ų565.2 Ų65.24%0.03533%0.331CS..THydrogen-bonded Turntrans-99.320.9-175.542.40000115.6L529 I554 R555 F617L529-S619 WeakPolarHBondContact CD1-O 3.34Å; I554-S619 WeakPolarHBondContact CG2-OG 3.3Å; R555-S619 WeakPolarHBondContact O-CB 3.47Å; R555-S619 PolarHBondContact O-OG 2.9Å; R555-S619 VanDerWaalsContact O-OG 3.13Å; F617-S619 PolarHBondContact O-N 3.07Å
620C70.1Confident55.4Low5 Ų560.5 Ų60.53%0.03430%0.303CS..SBendtrans-112.4140.7169.9-70.30000111.8N527N527-C620 PolarHBondContact ND2-O 3.17Å
621R71.4Confident58Low32 Ų3256.4 Ų56.412%0.12129%0.289CS..EExtended strand (participates in β ladder)trans-89.3116.8174.9-163.2-162.1-161.9169.18.9109.8F525 N527 D528 L529 N560 F562 T563 L564F525-R621 HydrophobicContact CD1-CG 3.96Å; N527-R621 VanDerWaalsContact O-CG 3.31Å; N527-R621 WeakPolarHBondContact O-CG 3.36Å; N527-R621 WeakPolarHBondContact OD1-CA 3.45Å; D528-R621 VanDerWaalsContact CG-NH2 3.31Å; D528-R621 IonicContact OD1-NH2 3.56Å; D528-R621 IonicContact OD2-CZ 2.74Å; D528-R621 IonicContact OD2-NH2 3.84Å; D528-R621 PolarHBondContact OD2-NH2 3.31Å; L529-R621 HydrophobicContact CD1-CB 4.45Å; N560-R621 VanDerWaalsContact OD1-CD 3.23Å; N560-R621 WeakPolarHBondContact OD1-CD 3.26Å; N560-R621 WeakPolarHBondContact OD1-CG 3.4Å; F562-R621 PolarHBondContact O-N 3.43Å; T563-R621 CarbonylContact C-O 3.03Å; T563-R621 WeakPolarHBondContact CA-O 3.38Å; L564-R621 PolarHBondContact N-O 2.85Å
622V68.4Low60.5Low41 Ų4158.3 Ų58.325%0.24828%0.281CS..EExtended strand (participates in β ladder)trans-100.9120.9-172.4-177.20000111F525 V526 N527 L564 L624F525-V622 CarbonylContact C-O 3.46Å; F525-V622 VanDerWaalsContact CA-O 3.31Å; F525-V622 WeakPolarHBondContact CA-O 3.45Å; V526-V622 HydrophobicContact CB-CB 4.47Å; V526-V622 HydrophobicContact CG2-CB 4.4Å; V526-V622 HydrophobicContact CG2-CG1 4.26Å; V526-V622 PolarHBondContact N-O 3.17Å; N527-V622 PolarHBondContact OD1-N 3.22Å; L564-V622 WeakPolarHBondContact O-CA 3.43Å; V622-L624 HydrophobicContact CG1-CD2 4.22Å
623G68.9Low63.1Low0 Ų058.6 Ų58.60%028%0.28CS..EExtended strand (participates in β ladder)trans-113.7143.5179.200000113.4L564 V565 R566L564-G623 PolarHBondContact O-N 3.22Å; V565-G623 CarbonylContact C-O 3.44Å; R566-G623 PolarHBondContact N-O 2.72Å
624L67.7Low65.7Low10 Ų1050.2 Ų50.25%0.05225%0.251CS..EExtended strand (participates in β ladder)trans-137151.1-170-60.3-177.1000111.9Q524 V526 R566 L574 V622 L661Q524-L624 PolarHBondContact N-O 3.1Å; Q524-L624 WeakPolarHBondContact O-CB 3.23Å; Q524-L624 PolarHBondContact O-N 3.41Å; V526-L624 HydrophobicContact CG2-CD1 3.46Å; V526-L624 VanDerWaalsContact CG2-CD1 3.46Å; V526-L624 HydrophobicContact CG2-CG 3.96Å; R566-L624 HydrophobicContact CB-CD2 4.08Å; L574-L624 HydrophobicContact CB-CD2 4.4Å; L574-L624 HydrophobicContact CD1-CD2 4.37Å; L574-L624 HydrophobicContact CD2-CB 3.52Å; L574-L624 HydrophobicContact CD2-CD1 4.13Å; L574-L624 HydrophobicContact CD2-CD2 3.79Å; L574-L624 HydrophobicContact CD2-CG 3.97Å; L574-L624 HydrophobicContact CG-CD2 4.39Å; V622-L624 HydrophobicContact CG1-CD2 4.22Å; L624-L661 HydrophobicContact CD1-CD1 4.36Å; L624-L661 HydrophobicContact CD1-CD2 4.28Å
625I68.9Low68.4Low26 Ų2643.8 Ų43.813%0.13322%0.223CC..  trans-132.9176.1177.1-32.4172.6000109.2F523 L574 V575 W711 F714F523-I625 HydrophobicContact CD1-CD1 4.22Å; F523-I625 HydrophobicContact CD1-CG1 3.74Å; F523-I625 HydrophobicContact CE1-CD1 3.4Å; F523-I625 VanDerWaalsContact CE1-CD1 3.4Å; F523-I625 HydrophobicContact CE1-CG1 3.38Å; F523-I625 HydrophobicContact CZ-CD1 3.58Å; F523-I625 HydrophobicContact CZ-CG1 4.06Å; L574-I625 CarbonylContact C-O 3.55Å; L574-I625 WeakPolarHBondContact CD2-O 3.47Å; L574-I625 CarbonylContact O-C 3.54Å; L574-I625 VanDerWaalsContact O-CA 3.24Å; L574-I625 WeakPolarHBondContact O-CA 3.16Å; L574-I625 WeakPolarHBondContact O-CB 3.47Å; L574-I625 PolarHBondContact O-N 3.33Å; V575-I625 HydrophobicContact CG1-CB 4.39Å; V575-I625 HydrophobicContact CG1-CG2 4.39Å; V575-I625 HydrophobicContact CG2-CB 4.17Å; V575-I625 PolarHBondContact N-O 3.47Å; I625-W711 HydrophobicContact CG2-CB 4.05Å; I625-F714 HydrophobicContact CD1-CD1 3.92Å; I625-F714 HydrophobicContact CD1-CE1 4Å
626L66.2Low70.2Confident18 Ų1838.9 Ų38.99%0.09420%0.197CC..  trans-139.7135.6-179.4-52.7170.6000109.3L574 V575 I576 L645 Y648 W711L574-L626 HydrophobicContact CD2-CD2 4.08Å; V575-L626 VanDerWaalsContact CA-C 3.47Å; V575-L626 VanDerWaalsContact CA-CA 3.44Å; I576-L626 HydrophobicContact CD1-CB 4.19Å; I576-L626 HydrophobicContact CD1-CD1 4.38Å; I576-L626 HydrophobicContact CD1-CD2 3.54Å; I576-L626 HydrophobicContact CD1-CG 4.19Å; I576-L626 HydrophobicContact CG1-CB 3.96Å; I576-L626 HydrophobicContact CG1-CD2 3.33Å; I576-L626 HydrophobicContact CG1-CG 4.13Å; L626-L645 HydrophobicContact CB-CD1 3.38Å; L626-L645 HydrophobicContact CD1-CD1 3.61Å; L626-L645 HydrophobicContact CG-CD1 4.1Å; L626-Y648 HydrophobicContact CD1-CD1 3.44Å; L626-Y648 VanDerWaalsContact CD1-CD1 3.44Å; L626-Y648 HydrophobicContact CD1-CE1 3.59Å; L626-Y648 HydrophobicContact CD1-CG 4.15Å; L626-W711 WeakPolarHBondContact O-CB 3.15Å
627A65.7Low72.2Confident0 Ų038.6 Ų38.60%019%0.189CC..  trans-107.323.5-156.700000115.5V575 I576 H577 N629 W711V575-A627 VanDerWaalsContact CA-CB 3.48Å; V575-A627 HydrophobicContact CB-CB 3.43Å; V575-A627 VanDerWaalsContact CB-CB 3.43Å; V575-A627 HydrophobicContact CG1-CB 3.29Å; V575-A627 WeakPolarHBondContact O-CB 3.28Å; I576-A627 CarbonylContact O-C 3.53Å; I576-A627 WeakPolarHBondContact O-CA 3.42Å; I576-A627 WeakPolarHBondContact O-CB 3.41Å; I576-A627 PolarHBondContact O-N 3.17Å; H577-A627 HydrophobicContact CB-CB 4.15Å; H577-A627 PolarHBondContact CD2-O 3.03Å; A627-N629 PolarHBondContact O-N 3.07Å; A627-W711 VanDerWaalsContact C-CD1 3.46Å; A627-W711 VanDerWaalsContact C-CE2 3.42Å; A627-W711 VanDerWaalsContact CA-NE1 3.35Å; A627-W711 HydrophobicContact CB-CD2 3.88Å; A627-W711 HydrophobicContact CB-CE3 4.27Å; A627-W711 HydrophobicContact CB-CG 4.33Å; A627-W711 HydrophobicContact CB-CH2 4.27Å; A627-W711 HydrophobicContact CB-CZ2 3.91Å; A627-W711 HydrophobicContact CB-CZ3 4.45Å; A627-W711 VanDerWaalsContact O-CE2 3.24Å; A627-W711 VanDerWaalsContact O-CZ2 3.3Å; A627-W711 WeakPolarHBondContact O-CZ2 3.1Å; A627-W711 PolarHBondContact O-NE1 3.49Å; A627-W711 VanDerWaalsContact O-NE1 3.1Å
628T73.7Confident73.9Confident0 Ų039.6 Ų39.60%020%0.203CC..  trans-65.5155.4-15497.20000111.5I576 P630 V642 L645 R708 W711I576-T628 WeakPolarHBondContact O-CA 3.46Å; I576-T628 WeakPolarHBondContact O-CG2 3.46Å; I576-T628 PolarHBondContact O-N 2.9Å; T628-P630 WeakPolarHBondContact O-CA 3.31Å; T628-P630 WeakPolarHBondContact O-CD 3.13Å; T628-V642 HydrophobicContact CG2-CB 4.42Å; T628-V642 HydrophobicContact CG2-CG2 4.46Å; T628-V642 WeakPolarHBondContact OG1-CG2 3.49Å; T628-L645 HydrophobicContact CG2-CB 3.28Å; T628-L645 HydrophobicContact CG2-CD1 3.77Å; T628-L645 HydrophobicContact CG2-CD2 3.54Å; T628-L645 HydrophobicContact CG2-CG 3.67Å; T628-R708 HydrophobicContact CG2-CB 4.35Å; T628-R708 WeakPolarHBondContact OG1-CB 3.29Å; T628-R708 WeakPolarHBondContact OG1-CD 3.5Å; T628-W711 PolarHBondContact O-NE1 3.26Å; T628-W711 VanDerWaalsContact O-NE1 3.15Å
629N77.8Confident75.2Confident32 Ų3238.4 Ų38.417%0.17120%0.195CC..  trans-41.3110.8-173.3-166.1-20.4000108.9A627 D631 V634 V642A627-N629 PolarHBondContact O-N 3.07Å; N629-D631 PolarHBondContact O-N 3.42Å; N629-V634 HydrophobicContact CB-CB 4.36Å; N629-V634 HydrophobicContact CB-CG1 4.2Å; N629-V642 HydrophobicContact CB-CG2 3.77Å
630P75.6Confident75.9Confident44 Ų4438.6 Ų38.629%0.28620%0.197SC..SBendtrans-75.8-8-161.527.4-34.7000112.1T628 K632 Q709 W711 A712T628-P630 WeakPolarHBondContact O-CA 3.31Å; T628-P630 WeakPolarHBondContact O-CD 3.13Å; P630-K632 PolarHBondContact O-N 2.9Å; P630-Q709 VanDerWaalsContact O-CG 3.32Å; P630-Q709 WeakPolarHBondContact O-CG 3.37Å; P630-Q709 PolarHBondContact O-NE2 3.06Å; P630-W711 HydrophobicContact CG-CZ2 4.35Å; P630-A712 HydrophobicContact CB-CB 4.23Å
631D80.2Confident76.2Confident81 Ų8138.3 Ų38.343%0.43320%0.196SC..SBendtrans-70.9121.7164-166.9-22000109.9N629 K633 V634 R708N629-D631 PolarHBondContact O-N 3.42Å; D631-K633 PolarHBondContact O-N 3.36Å; D631-K633 WeakPolarHBondContact OD1-CB 3.34Å; D631-K633 WeakPolarHBondContact OD1-CG 3.33Å; D631-K633 PolarHBondContact OD1-N 2.86Å; D631-V634 HydrophobicContact CB-CG2 4.14Å; D631-V634 PolarHBondContact O-N 2.91Å; D631-R708 PolarHBondContact O-NH1 3.03Å
632K79.3Confident76.7Confident126 Ų12636.8 Ų36.855%0.54819%0.19SC..THydrogen-bonded Turntrans-62.9-27.4-179.9-85.1-170.8173.6-164.40113.2P630 V634 V700 R708P630-K632 PolarHBondContact O-N 2.9Å; K632-V634 PolarHBondContact O-N 2.93Å; K632-V634 VanDerWaalsContact O-N 3.09Å; K632-V700 WeakPolarHBondContact O-CG1 3.46Å; K632-R708 PolarHBondContact O-NH1 3.47Å; K632-R708 PolarHBondContact O-NH2 3.47Å
633K82.1Confident77.5Confident171 Ų17134.9 Ų34.974%0.74318%0.178SC*.THydrogen-bonded Turntrans-66.5-10.9-175.2-64.2-179.7178.8-175.80114.4D631D631-K633 PolarHBondContact O-N 3.36Å; D631-K633 WeakPolarHBondContact OD1-CB 3.34Å; D631-K633 WeakPolarHBondContact OD1-CG 3.33Å; D631-K633 PolarHBondContact OD1-N 2.86Å
634V81.9Confident78.1Confident24 Ų2434.9 Ų34.915%0.14518%0.178CC..  trans-92.7131.9-174.2-175.40000109.6N629 D631 K632 D639 R708N629-V634 HydrophobicContact CB-CB 4.36Å; N629-V634 HydrophobicContact CB-CG1 4.2Å; D631-V634 HydrophobicContact CB-CG2 4.14Å; D631-V634 PolarHBondContact O-N 2.91Å; K632-V634 PolarHBondContact O-N 2.93Å; K632-V634 VanDerWaalsContact O-N 3.09Å; V634-D639 HydrophobicContact CG1-CB 4.27Å; V634-D639 WeakPolarHBondContact CG1-OD1 3.48Å; V634-D639 WeakPolarHBondContact CG1-OD2 3.49Å; V634-R708 PolarHBondContact O-NH1 3.24Å
635S85.7Confident78.7Confident17 Ų1734.5 Ų34.512%0.11918%0.176CC..  trans-102.9172.3-176.274.20000112.2Y637 S638 D639S635-Y637 PolarHBondContact O-N 3.49Å; S635-Y637 PolarHBondContact OG-N 2.94Å; S635-S638 PolarHBondContact O-OG 3.41Å; S635-D639 WeakPolarHBondContact O-CB 3.25Å
636G80.3Confident79.6Confident0 Ų033.3 Ų33.30%017%0.17CC..THydrogen-bonded Turntrans-67.8-6.7170.500000114.4F578 A643 F698F578-G636 WeakPolarHBondContact CE1-O 3.4Å; G636-A643 VanDerWaalsContact O-CB 3.31Å; G636-A643 WeakPolarHBondContact O-CB 3.32Å; G636-F698 VanDerWaalsContact CA-O 3.31Å; G636-F698 WeakPolarHBondContact CA-O 3.46Å; G636-F698 PolarHBondContact N-O 3.47Å
637Y85.6Confident80.6Confident87 Ų8732.4 Ų32.434%0.34117%0.166SC..THydrogen-bonded Turntrans-89-24.3-179.1-67.5-80.5000114.1S635 S678 I682 L694 F698S635-Y637 PolarHBondContact O-N 3.49Å; S635-Y637 PolarHBondContact OG-N 2.94Å; Y637-S678 WeakPolarHBondContact O-CB 3.39Å; Y637-S678 PolarHBondContact O-OG 3.26Å; Y637-I682 HydrophobicContact CD1-CD1 3.66Å; Y637-I682 HydrophobicContact CE1-CD1 3.86Å; Y637-L694 VanDerWaalsContact OH-CB 3.26Å; Y637-L694 WeakPolarHBondContact OH-CB 3.38Å; Y637-L694 PolarHBondContact OH-O 3.03Å; Y637-F698 HydrophobicContact CD2-CB 4.24Å; Y637-F698 HydrophobicContact CE2-CB 3.72Å
638S83.2Confident81.5Confident73 Ų7332.6 Ų32.651%0.5117%0.166SC..SBendtrans-932.6-166.8510000116.8S635S635-S638 PolarHBondContact O-OG 3.41Å
639D82Confident82Confident15 Ų1533.2 Ų33.28%0.0817%0.17CC..  -152.2173.2-128.4-119.978.4000110F578 A579 V634 S635 T677 S678F578-D639 WeakPolarHBondContact CA-OD2 3.34Å; F578-D639 HydrophobicContact CB-CB 3.22Å; F578-D639 WeakPolarHBondContact CB-OD2 3.4Å; F578-D639 HydrophobicContact CD1-CB 3.21Å; F578-D639 WeakPolarHBondContact CD1-O 3.4Å; F578-D639 HydrophobicContact CE1-CB 4.25Å; F578-D639 WeakPolarHBondContact CE1-O 3.37Å; F578-D639 HydrophobicContact CG-CB 3.64Å; F578-D639 WeakPolarHBondContact CZ-O 3.38Å; A579-D639 HydrophobicContact CB-CB 4.3Å; A579-D639 WeakPolarHBondContact CB-OD1 3.2Å; A579-D639 VanDerWaalsContact CB-OD2 3.26Å; A579-D639 WeakPolarHBondContact CB-OD2 3.32Å; A579-D639 PolarHBondContact N-OD2 3.23Å; V634-D639 HydrophobicContact CG1-CB 4.27Å; V634-D639 WeakPolarHBondContact CG1-OD1 3.48Å; V634-D639 WeakPolarHBondContact CG1-OD2 3.49Å; S635-D639 WeakPolarHBondContact O-CB 3.25Å; D639-T677 CarbonylContact O-C 3.52Å; D639-S678 PolarHBondContact O-N 2.98Å
640G79.4Confident82.5Confident8 Ų832.2 Ų32.28%0.08216%0.164CC..SBendtrans-121-26171.800000128.3F570 F578 V676F570-G640 VanDerWaalsContact CE2-O 3.26Å; F570-G640 WeakPolarHBondContact CE2-O 3.45Å; F570-G640 WeakPolarHBondContact CZ-O 3.47Å; F578-G640 VanDerWaalsContact CD1-N 3.28Å; F578-G640 WeakPolarHBondContact CD2-O 3.3Å; F578-G640 WeakPolarHBondContact CE2-O 3.35Å; G640-V676 WeakPolarHBondContact CA-O 3.37Å
641G76.9Confident83Confident0 Ų030.3 Ų30.30%015%0.151CC..SBendtrans-109.3-9.9158.600000124.7I576 H577 F578 L645I576-G641 WeakPolarHBondContact CB-O 3.26Å; H577-G641 WeakPolarHBondContact O-CA 3.47Å; H577-G641 PolarHBondContact O-N 3.26Å; F578-G641 VanDerWaalsContact N-C 3.3Å; G641-L645 PolarHBondContact O-N 3.42Å
642V81.5Confident83Confident0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-60.2-65.2157.8-172.90000116.4F578 T628 N629 L644 L645 N646F578-V642 HydrophobicContact CB-CB 3.43Å; F578-V642 VanDerWaalsContact CB-CB 3.43Å; F578-V642 HydrophobicContact CB-CG2 3.47Å; F578-V642 VanDerWaalsContact CB-CG2 3.47Å; F578-V642 HydrophobicContact CD1-CB 4.27Å; F578-V642 VanDerWaalsContact CD2-C 3.47Å; F578-V642 HydrophobicContact CD2-CB 4.27Å; F578-V642 HydrophobicContact CG-CB 3.72Å; F578-V642 HydrophobicContact CG-CG2 4.38Å; T628-V642 HydrophobicContact CG2-CB 4.42Å; T628-V642 HydrophobicContact CG2-CG2 4.46Å; T628-V642 WeakPolarHBondContact OG1-CG2 3.49Å; N629-V642 HydrophobicContact CB-CG2 3.77Å; V642-L644 PolarHBondContact O-N 3.3Å; V642-L644 VanDerWaalsContact O-N 3.09Å; V642-L645 CarbonylContact O-C 3.42Å; V642-L645 VanDerWaalsContact O-CA 3.25Å; V642-L645 WeakPolarHBondContact O-CA 3.45Å; V642-L645 WeakPolarHBondContact O-CB 3.3Å; V642-L645 PolarHBondContact O-N 3.24Å; V642-N646 PolarHBondContact O-N 2.88Å; V642-N646 PolarHBondContact O-OD1 3.05Å
643A84.8Confident83Confident0 Ų026.9 Ų26.90%015%0.152CC..Hα-helixtrans-57-32.9-176.900000112.2F578 G636 L645 N646 A647 V681 F698F578-A643 HydrophobicContact CD1-CB 3.63Å; F578-A643 VanDerWaalsContact CD1-N 3.33Å; F578-A643 HydrophobicContact CD2-CB 3.84Å; F578-A643 HydrophobicContact CE1-CB 3.14Å; F578-A643 HydrophobicContact CE2-CB 3.4Å; F578-A643 HydrophobicContact CG-CB 4.27Å; F578-A643 HydrophobicContact CZ-CB 3.16Å; G636-A643 VanDerWaalsContact O-CB 3.31Å; G636-A643 WeakPolarHBondContact O-CB 3.32Å; A643-L645 VanDerWaalsContact C-N 3.32Å; A643-N646 PolarHBondContact O-N 3.45Å; A643-N646 VanDerWaalsContact O-N 3.12Å; A643-A647 WeakPolarHBondContact O-CB 3.35Å; A643-A647 PolarHBondContact O-N 2.85Å; A643-V681 HydrophobicContact CB-CG1 4.28Å; A643-F698 HydrophobicContact CB-CD1 3.53Å; A643-F698 HydrophobicContact CB-CE1 3.66Å; A643-F698 WeakPolarHBondContact O-CE1 3.39Å
644L82.5Confident82.6Confident1 Ų122 Ų221%0.00513%0.133CC..Hα-helixtrans-71.2-23.4173.4-171.8146.6000112.6I576 F578 V642 Y648 V664 V667 V681I576-L644 HydrophobicContact CD1-CD2 3.45Å; I576-L644 VanDerWaalsContact CD1-CD2 3.45Å; I576-L644 HydrophobicContact CG1-CD2 4.45Å; I576-L644 HydrophobicContact CG2-CD2 4.26Å; F578-L644 HydrophobicContact CE2-CB 4.1Å; V642-L644 PolarHBondContact O-N 3.3Å; V642-L644 VanDerWaalsContact O-N 3.09Å; L644-Y648 WeakPolarHBondContact O-CB 3.46Å; L644-Y648 PolarHBondContact O-N 2.94Å; L644-V664 HydrophobicContact CD1-CG1 4.42Å; L644-V664 HydrophobicContact CD2-CB 4.31Å; L644-V664 HydrophobicContact CD2-CG1 3.93Å; L644-V664 HydrophobicContact CD2-CG2 3.59Å; L644-V664 HydrophobicContact CG-CG2 4.2Å; L644-V667 HydrophobicContact CD1-CB 4.08Å; L644-V667 HydrophobicContact CD1-CG1 4.01Å; L644-V667 HydrophobicContact CD1-CG2 4.09Å; L644-V681 HydrophobicContact CB-CG1 4.06Å; L644-V681 HydrophobicContact CB-CG2 4.05Å; L644-V681 HydrophobicContact CD1-CG2 4.01Å
645L80.6Confident82.1Confident2 Ų225.7 Ų25.71%0.0115%0.148CC..Hα-helixtrans-67.5-49.9159.1170.1108000111I576 L626 T628 G641 V642 A643 A647 Y648 N649 T706I576-L645 HydrophobicContact CD1-CB 4.24Å; L626-L645 HydrophobicContact CB-CD1 3.38Å; L626-L645 HydrophobicContact CD1-CD1 3.61Å; L626-L645 HydrophobicContact CG-CD1 4.1Å; T628-L645 HydrophobicContact CG2-CB 3.28Å; T628-L645 HydrophobicContact CG2-CD1 3.77Å; T628-L645 HydrophobicContact CG2-CD2 3.54Å; T628-L645 HydrophobicContact CG2-CG 3.67Å; G641-L645 PolarHBondContact O-N 3.42Å; V642-L645 CarbonylContact O-C 3.42Å; V642-L645 VanDerWaalsContact O-CA 3.25Å; V642-L645 WeakPolarHBondContact O-CA 3.45Å; V642-L645 WeakPolarHBondContact O-CB 3.3Å; V642-L645 PolarHBondContact O-N 3.24Å; A643-L645 VanDerWaalsContact C-N 3.32Å; L645-A647 VanDerWaalsContact C-N 3.33Å; L645-A647 PolarHBondContact O-N 3.47Å; L645-Y648 CarbonylContact O-C 3.57Å; L645-Y648 PolarHBondContact O-N 2.88Å; L645-N649 WeakPolarHBondContact O-CB 3.37Å; L645-N649 PolarHBondContact O-N 3.44Å; L645-T706 WeakPolarHBondContact CD2-O 3.36Å
646N87.3Confident81.7Confident0 Ų026.7 Ų26.70%015%0.154CC..Hα-helixtrans-57-49.4-178.9-65.329.3000110.4V642 A643 Y648 N649 F650 V697 F698 N705V642-N646 PolarHBondContact O-N 2.88Å; V642-N646 PolarHBondContact O-OD1 3.05Å; A643-N646 PolarHBondContact O-N 3.45Å; A643-N646 VanDerWaalsContact O-N 3.12Å; N646-Y648 PolarHBondContact O-N 3.41Å; N646-N649 PolarHBondContact O-N 3.1Å; N646-F650 WeakPolarHBondContact O-CB 3.49Å; N646-F650 PolarHBondContact O-N 3.2Å; N646-V697 HydrophobicContact CB-CG1 4.42Å; N646-V697 WeakPolarHBondContact CB-O 3.45Å; N646-V697 PolarHBondContact ND2-O 3.42Å; N646-F698 HydrophobicContact CB-CD1 4.31Å; N646-N705 PolarHBondContact OD1-OD1 2.77Å
647A87.3Confident81.3Confident0 Ų029.3 Ų29.30%017%0.168CC..Hα-helixtrans-62.5-38173.300000112.9A643 L645 F650 V651 F663 V681 F685 F698A643-A647 WeakPolarHBondContact O-CB 3.35Å; A643-A647 PolarHBondContact O-N 2.85Å; L645-A647 VanDerWaalsContact C-N 3.33Å; L645-A647 PolarHBondContact O-N 3.47Å; A647-F650 PolarHBondContact O-N 3.02Å; A647-V651 WeakPolarHBondContact O-CB 3.29Å; A647-V651 VanDerWaalsContact O-CG2 3.23Å; A647-V651 WeakPolarHBondContact O-CG2 3.13Å; A647-V651 PolarHBondContact O-N 3.35Å; A647-F663 HydrophobicContact CB-CD1 4.39Å; A647-F663 HydrophobicContact CB-CE1 3.69Å; A647-F663 HydrophobicContact CB-CZ 4.11Å; A647-V681 HydrophobicContact CB-CG1 4.4Å; A647-F685 HydrophobicContact CB-CD2 3.71Å; A647-F685 HydrophobicContact CB-CE2 4.09Å; A647-F698 HydrophobicContact CB-CE1 4.15Å; A647-F698 HydrophobicContact CB-CZ 4.23Å
648Y83Confident80.3Confident4 Ų429.4 Ų29.42%0.01617%0.171CC..Hα-helixtrans-65.2-44.9174.1174-84.6000111.8Q524 L626 L644 L645 N646 F650 V651 K652 A660 L661 V664Q524-Y648 PolarHBondContact OE1-OH 3.39Å; L626-Y648 HydrophobicContact CD1-CD1 3.44Å; L626-Y648 VanDerWaalsContact CD1-CD1 3.44Å; L626-Y648 HydrophobicContact CD1-CE1 3.59Å; L626-Y648 HydrophobicContact CD1-CG 4.15Å; L644-Y648 WeakPolarHBondContact O-CB 3.46Å; L644-Y648 PolarHBondContact O-N 2.94Å; L645-Y648 CarbonylContact O-C 3.57Å; L645-Y648 PolarHBondContact O-N 2.88Å; N646-Y648 PolarHBondContact O-N 3.41Å; Y648-F650 VanDerWaalsContact C-N 3.34Å; Y648-V651 PolarHBondContact O-N 2.85Å; Y648-K652 HydrophobicContact CE1-CD 4.19Å; Y648-K652 WeakPolarHBondContact O-CB 3.16Å; Y648-K652 PolarHBondContact O-N 3.27Å; Y648-A660 HydrophobicContact CD2-CB 3.45Å; Y648-A660 VanDerWaalsContact CD2-CB 3.45Å; Y648-A660 HydrophobicContact CE2-CB 3.44Å; Y648-A660 VanDerWaalsContact CE2-CB 3.44Å; Y648-A660 HydrophobicContact CG-CB 4.04Å; Y648-A660 WeakPolarHBondContact O-CB 3.43Å; Y648-L661 HydrophobicContact CE2-CD2 3.8Å; Y648-L661 HydrophobicContact CE2-CG 4.07Å; Y648-V664 HydrophobicContact CD2-CG2 3.87Å
649N84.9Confident79.8Confident13 Ų1332.5 Ų32.57%0.0717%0.172CC..Hα-helixtrans-64.6-39.3177-79.7-17.6000110.9L645 N646 G653 Y704 T706L645-N649 WeakPolarHBondContact O-CB 3.37Å; L645-N649 PolarHBondContact O-N 3.44Å; N646-N649 PolarHBondContact O-N 3.1Å; N649-G653 PolarHBondContact O-N 2.81Å; N649-Y704 PolarHBondContact ND2-O 3.33Å; N649-T706 PolarHBondContact ND2-O 2.75Å
650F88.5Confident79.5Confident11 Ų1131.8 Ų31.85%0.04817%0.168CC..Hα-helixtrans-58.5-60.4171.1-176.7-81000111.3N646 A647 Y648 K652 G653 D654 F685 Y689 E692 V697 Y704N646-F650 WeakPolarHBondContact O-CB 3.49Å; N646-F650 PolarHBondContact O-N 3.2Å; A647-F650 PolarHBondContact O-N 3.02Å; Y648-F650 VanDerWaalsContact C-N 3.34Å; F650-K652 PolarHBondContact O-N 2.66Å; F650-G653 PolarHBondContact O-N 3.32Å; F650-D654 HydrophobicContact CE1-CB 4.32Å; F650-D654 VanDerWaalsContact O-CB 3.32Å; F650-D654 WeakPolarHBondContact O-CB 3.11Å; F650-D654 PolarHBondContact O-N 2.68Å; F650-F685 HydrophobicContact CB-CE2 4.29Å; F650-F685 AromaticContact CD1-CE2 3.65Å; F650-F685 HydrophobicContact CD1-CE2 3.65Å; F650-F685 AromaticContact CD1-CZ 3.63Å; F650-F685 HydrophobicContact CD1-CZ 3.63Å; F650-F685 HydrophobicContact CD2-CZ 4.17Å; F650-F685 HydrophobicContact CE1-CE2 4.23Å; F650-F685 AromaticContact CE1-CZ 3.86Å; F650-F685 HydrophobicContact CE1-CZ 3.86Å; F650-F685 HydrophobicContact CE2-CZ 4.36Å; F650-F685 AromaticContact CG-CE2 3.97Å; F650-F685 HydrophobicContact CG-CE2 3.97Å; F650-F685 AromaticContact CG-CZ 3.83Å; F650-F685 HydrophobicContact CG-CZ 3.83Å; F650-F685 HydrophobicContact CZ-CZ 4.23Å; F650-Y689 HydrophobicContact CD1-CE1 4.47Å; F650-Y689 AromaticContact CE1-CD1 3.69Å; F650-Y689 HydrophobicContact CE1-CD1 3.69Å; F650-Y689 AromaticContact CE1-CE1 3.64Å; F650-Y689 HydrophobicContact CE1-CE1 3.64Å; F650-Y689 HydrophobicContact CE1-CG 4.14Å; F650-Y689 HydrophobicContact CZ-CD1 4.32Å; F650-E692 HydrophobicContact CE2-CG 4.11Å; F650-E692 WeakPolarHBondContact CE2-OE1 3.39Å; F650-E692 HydrophobicContact CZ-CG 3.69Å; F650-E692 VanDerWaalsContact CZ-OE1 3.31Å; F650-E692 WeakPolarHBondContact CZ-OE1 3.48Å; F650-V697 HydrophobicContact CD2-CG2 3.78Å; F650-V697 HydrophobicContact CE2-CG2 4.04Å; F650-Y704 HydrophobicContact CB-CD1 3.88Å; F650-Y704 HydrophobicContact CB-CE1 4.08Å; F650-Y704 HydrophobicContact CB-CG 4.28Å; F650-Y704 HydrophobicContact CD2-CD1 4.21Å; F650-Y704 HydrophobicContact CD2-CD2 4.36Å; F650-Y704 AromaticContact CD2-CE1 3.68Å; F650-Y704 HydrophobicContact CD2-CE1 3.68Å; F650-Y704 AromaticContact CD2-CE2 3.86Å; F650-Y704 HydrophobicContact CD2-CE2 3.86Å; F650-Y704 AromaticContact CD2-CZ 3.48Å; F650-Y704 VanDerWaalsContact CD2-CZ 3.48Å; F650-Y704 HydrophobicContact CE2-CE2 4.47Å; F650-Y704 HydrophobicContact CG-CE1 4.26Å
651V85.7Confident79Confident4 Ų432.3 Ų32.32%0.02417%0.169CC..Hα-helixtrans-64.3-28.6-176.8179.20000112.2A647 Y648 K655 S656 R659 A660 F663 Y689A647-V651 WeakPolarHBondContact O-CB 3.29Å; A647-V651 VanDerWaalsContact O-CG2 3.23Å; A647-V651 WeakPolarHBondContact O-CG2 3.13Å; A647-V651 PolarHBondContact O-N 3.35Å; Y648-V651 PolarHBondContact O-N 2.85Å; V651-K655 PolarHBondContact O-N 3.14Å; V651-K655 VanDerWaalsContact O-N 3.08Å; V651-S656 PolarHBondContact O-N 3.15Å; V651-R659 HydrophobicContact CG1-CB 4.2Å; V651-A660 HydrophobicContact CB-CB 4.22Å; V651-A660 HydrophobicContact CG1-CB 4.21Å; V651-F663 HydrophobicContact CG1-CB 4.36Å; V651-F663 HydrophobicContact CG2-CB 4.35Å; V651-F663 HydrophobicContact CG2-CD2 4.19Å; V651-F663 HydrophobicContact CG2-CG 4.19Å; V651-Y689 HydrophobicContact CG2-CE2 3.71Å
652K81.2Confident78.6Confident68 Ų6835.9 Ų35.930%0.29618%0.184SC..Hα-helixtrans-66.1-47.6171.6173.5-165.2171.9-167.90111.6Q524 Y648 F650 I657 A660Q524-K652 VanDerWaalsContact NE2-NZ 3.16Å; Y648-K652 HydrophobicContact CE1-CD 4.19Å; Y648-K652 WeakPolarHBondContact O-CB 3.16Å; Y648-K652 PolarHBondContact O-N 3.27Å; F650-K652 PolarHBondContact O-N 2.66Å; K652-I657 HydrophobicContact CG-CG1 4.19Å; K652-A660 HydrophobicContact CB-CB 4.01Å
653G78.3Confident78.4Confident67 Ų6736 Ų3669%0.69119%0.185SC*.Hα-helixtrans-70.1-40.5-179.900000112.9N649 F650N649-G653 PolarHBondContact O-N 2.81Å; F650-G653 PolarHBondContact O-N 3.32Å
654D74.5Confident77.9Confident68 Ų6837.3 Ų37.336%0.36419%0.193SC..Hα-helixtrans-61.6-44.9174.7163.744.9000112.4F650 Y689F650-D654 HydrophobicContact CE1-CB 4.32Å; F650-D654 VanDerWaalsContact O-CB 3.32Å; F650-D654 WeakPolarHBondContact O-CB 3.11Å; F650-D654 PolarHBondContact O-N 2.68Å; D654-Y689 WeakPolarHBondContact OD2-CE1 3.5Å; D654-Y689 PolarHBondContact OD2-OH 3.1Å
655K71.7Confident77.2Confident102 Ų10238.5 Ų38.544%0.44320%0.199SC..THydrogen-bonded Turntrans-138.1-70.3-168-75.2168.6-176.476.70116V651 R659V651-K655 PolarHBondContact O-N 3.14Å; V651-K655 VanDerWaalsContact O-N 3.08Å; K655-R659 HydrophobicContact CB-CB 4.33Å
656S76.6Confident76.8Confident37 Ų3741.8 Ų41.826%0.25921%0.214SC..  trans-171.3160.8-179.270.80000113.5V651 E658 R659 A660V651-S656 PolarHBondContact O-N 3.15Å; S656-E658 VanDerWaalsContact C-N 3.32Å; S656-E658 PolarHBondContact O-N 2.99Å; S656-R659 PolarHBondContact O-N 3.47Å; S656-R659 PolarHBondContact OG-N 3.42Å; S656-A660 PolarHBondContact O-N 3.41Å
657I71Confident76.1Confident55 Ų5541.9 Ų41.928%0.28222%0.215SC..Hα-helixtrans-56.1-43.9172.2-67.8174.3000111.3K652 R659 A660 L661K652-I657 HydrophobicContact CG-CG1 4.19Å; I657-R659 VanDerWaalsContact C-N 3.34Å; I657-R659 PolarHBondContact O-N 2.94Å; I657-A660 PolarHBondContact O-N 3.28Å; I657-L661 HydrophobicContact CG2-CD1 4.17Å; I657-L661 WeakPolarHBondContact O-CG 3.07Å; I657-L661 PolarHBondContact O-N 3.21Å
658E66.4Low75.1Confident89 Ų8943.3 Ų43.342%0.41622%0.22SC..Hα-helixtrans-60-41.7176.3-64.6-166.8120.800113.1S656 L661 K662S656-E658 VanDerWaalsContact C-N 3.32Å; S656-E658 PolarHBondContact O-N 2.99Å; E658-L661 PolarHBondContact O-N 3.23Å; E658-K662 WeakPolarHBondContact O-CB 3.02Å; E658-K662 VanDerWaalsContact O-CG 3.32Å; E658-K662 WeakPolarHBondContact O-CG 3.15Å; E658-K662 PolarHBondContact O-N 2.8Å
659R72.5Confident74.4Confident139 Ų13946.1 Ų46.153%0.52524%0.241SC..Hα-helixtrans-71.3-35179.2-82171.6166.1167.3-2.6111.3V651 K655 S656 I657 K662 F663V651-R659 HydrophobicContact CG1-CB 4.2Å; K655-R659 HydrophobicContact CB-CB 4.33Å; S656-R659 PolarHBondContact O-N 3.47Å; S656-R659 PolarHBondContact OG-N 3.42Å; I657-R659 VanDerWaalsContact C-N 3.34Å; I657-R659 PolarHBondContact O-N 2.94Å; R659-K662 CarbonylContact O-C 3.48Å; R659-K662 PolarHBondContact O-N 3.19Å; R659-F663 PolarHBondContact O-N 3.04Å
660A74.1Confident73.8Confident0 Ų051.4 Ų51.40%026%0.26CS..Hα-helixtrans-64-44.2171.700000111.4Y648 V651 K652 S656 I657 K662 F663 V664Y648-A660 HydrophobicContact CD2-CB 3.45Å; Y648-A660 VanDerWaalsContact CD2-CB 3.45Å; Y648-A660 HydrophobicContact CE2-CB 3.44Å; Y648-A660 VanDerWaalsContact CE2-CB 3.44Å; Y648-A660 HydrophobicContact CG-CB 4.04Å; Y648-A660 WeakPolarHBondContact O-CB 3.43Å; V651-A660 HydrophobicContact CB-CB 4.22Å; V651-A660 HydrophobicContact CG1-CB 4.21Å; K652-A660 HydrophobicContact CB-CB 4.01Å; S656-A660 PolarHBondContact O-N 3.41Å; I657-A660 PolarHBondContact O-N 3.28Å; A660-K662 PolarHBondContact O-N 2.8Å; A660-F663 WeakPolarHBondContact O-CB 3.48Å; A660-F663 PolarHBondContact O-N 3.12Å; A660-F663 VanDerWaalsContact O-N 3.1Å; A660-V664 WeakPolarHBondContact O-CG2 3.38Å; A660-V664 PolarHBondContact O-N 3.19Å
661L69.3Low72.7Confident19 Ų1952 Ų5210%0.09926%0.264CS..Hα-helixtrans-64.9-38.1172.8-68.6175.2000112.6V526 F599 L624 Y648 I657 E658 F663 V664 L665V526-L661 HydrophobicContact CG1-CD1 4.24Å; V526-L661 HydrophobicContact CG2-CD1 4.2Å; F599-L661 HydrophobicContact CE1-CB 4.42Å; F599-L661 HydrophobicContact CZ-CB 4.46Å; F599-L661 HydrophobicContact CZ-CD1 4.24Å; F599-L661 HydrophobicContact CZ-CD2 3.93Å; F599-L661 HydrophobicContact CZ-CG 4.44Å; L624-L661 HydrophobicContact CD1-CD1 4.36Å; L624-L661 HydrophobicContact CD1-CD2 4.28Å; Y648-L661 HydrophobicContact CE2-CD2 3.8Å; Y648-L661 HydrophobicContact CE2-CG 4.07Å; I657-L661 HydrophobicContact CG2-CD1 4.17Å; I657-L661 WeakPolarHBondContact O-CG 3.07Å; I657-L661 PolarHBondContact O-N 3.21Å; E658-L661 PolarHBondContact O-N 3.23Å; L661-F663 VanDerWaalsContact C-N 3.26Å; L661-F663 PolarHBondContact O-N 3Å; L661-V664 PolarHBondContact O-N 3.29Å; L661-L665 WeakPolarHBondContact O-CB 3.45Å; L661-L665 PolarHBondContact O-N 3.04Å
662K67.9Low71Confident75 Ų7558.1 Ų58.133%0.32630%0.304SS..Hα-helixtrans-65.6-24.9171.3-75.4166-179.8162.20112.7E658 R659 A660 H666E658-K662 WeakPolarHBondContact O-CB 3.02Å; E658-K662 VanDerWaalsContact O-CG 3.32Å; E658-K662 WeakPolarHBondContact O-CG 3.15Å; E658-K662 PolarHBondContact O-N 2.8Å; R659-K662 CarbonylContact O-C 3.48Å; R659-K662 PolarHBondContact O-N 3.19Å; A660-K662 PolarHBondContact O-N 2.8Å; K662-H666 WeakPolarHBondContact O-CB 3.26Å; K662-H666 PolarHBondContact O-N 2.91Å
663F79.2Confident69.6Low1 Ų159.2 Ų59.20%0.00432%0.32CS..Hα-helixtrans-71.6-49.4169.5-179.5-87.6000111.2A647 V651 R659 A660 L661 L665 H666 V667 V684 F685 K688A647-F663 HydrophobicContact CB-CD1 4.39Å; A647-F663 HydrophobicContact CB-CE1 3.69Å; A647-F663 HydrophobicContact CB-CZ 4.11Å; V651-F663 HydrophobicContact CG1-CB 4.36Å; V651-F663 HydrophobicContact CG2-CB 4.35Å; V651-F663 HydrophobicContact CG2-CD2 4.19Å; V651-F663 HydrophobicContact CG2-CG 4.19Å; R659-F663 PolarHBondContact O-N 3.04Å; A660-F663 WeakPolarHBondContact O-CB 3.48Å; A660-F663 PolarHBondContact O-N 3.12Å; A660-F663 VanDerWaalsContact O-N 3.1Å; L661-F663 VanDerWaalsContact C-N 3.26Å; L661-F663 PolarHBondContact O-N 3Å; F663-L665 PolarHBondContact O-N 3.42Å; F663-H666 WeakPolarHBondContact O-CA 3.25Å; F663-H666 WeakPolarHBondContact O-CB 3.44Å; F663-H666 PolarHBondContact O-N 3.39Å; F663-V667 HydrophobicContact CD1-CG2 4.32Å; F663-V667 HydrophobicContact CE1-CG2 3.83Å; F663-V667 HydrophobicContact CZ-CG2 4.2Å; F663-V667 PolarHBondContact O-N 3.18Å; F663-V667 VanDerWaalsContact O-N 3.12Å; F663-V684 HydrophobicContact CE2-CG1 3.9Å; F663-V684 HydrophobicContact CZ-CG1 4.01Å; F663-F685 HydrophobicContact CE2-CB 4.43Å; F663-F685 HydrophobicContact CE2-CD2 4.19Å; F663-F685 HydrophobicContact CZ-CB 4.03Å; F663-F685 AromaticContact CZ-CD2 3.99Å; F663-F685 HydrophobicContact CZ-CD2 3.99Å; F663-K688 HydrophobicContact CD2-CD 3.92Å; F663-K688 HydrophobicContact CE2-CD 4.25Å
664V73.7Confident68.3Low28 Ų2858 Ų5817%0.1731%0.308CS..Hα-helixtrans-57.6-47.2176.9176.50000111.8L644 Y648 A660 L661 H666 V667 Y668L644-V664 HydrophobicContact CD1-CG1 4.42Å; L644-V664 HydrophobicContact CD2-CB 4.31Å; L644-V664 HydrophobicContact CD2-CG1 3.93Å; L644-V664 HydrophobicContact CD2-CG2 3.59Å; L644-V664 HydrophobicContact CG-CG2 4.2Å; Y648-V664 HydrophobicContact CD2-CG2 3.87Å; A660-V664 WeakPolarHBondContact O-CG2 3.38Å; A660-V664 PolarHBondContact O-N 3.19Å; L661-V664 PolarHBondContact O-N 3.29Å; V664-H666 PolarHBondContact O-N 2.76Å; V664-V667 PolarHBondContact O-N 3.12Å; V664-Y668 HydrophobicContact CG1-CD2 4.08Å; V664-Y668 HydrophobicContact CG1-CE2 4.26Å; V664-Y668 PolarHBondContact O-N 2.83Å; V664-Y668 VanDerWaalsContact O-N 3.15Å
665L66.9Low67.6Low27 Ų2760.5 Ų60.514%0.14132%0.321CS..Hα-helixtrans-53.1-38.5172.5-87.4167.2000112.7F599 R603 L661 F663 S669F599-L665 HydrophobicContact CB-CD2 3.93Å; F599-L665 HydrophobicContact CD1-CD1 3.82Å; F599-L665 HydrophobicContact CD1-CD2 3.73Å; F599-L665 HydrophobicContact CD1-CG 3.82Å; F599-L665 HydrophobicContact CE1-CD1 4.11Å; F599-L665 HydrophobicContact CE1-CG 4.28Å; F599-L665 HydrophobicContact CG-CD2 4.08Å; R603-L665 HydrophobicContact CB-CD1 4.12Å; R603-L665 HydrophobicContact CG-CD1 3.99Å; L661-L665 WeakPolarHBondContact O-CB 3.45Å; L661-L665 PolarHBondContact O-N 3.04Å; F663-L665 PolarHBondContact O-N 3.42Å; L665-S669 WeakPolarHBondContact O-CB 3.34Å; L665-S669 PolarHBondContact O-N 3.15Å; L665-S669 PolarHBondContact O-OG 2.83Å
666H72.5Confident67.4Low71 Ų7155.8 Ų55.833%0.32930%0.301SS..Hα-helixtrans-73.1-40-176.6-167.842000112.4K662 F663 V664 S669 R670K662-H666 WeakPolarHBondContact O-CB 3.26Å; K662-H666 PolarHBondContact O-N 2.91Å; F663-H666 WeakPolarHBondContact O-CA 3.25Å; F663-H666 WeakPolarHBondContact O-CB 3.44Å; F663-H666 PolarHBondContact O-N 3.39Å; V664-H666 PolarHBondContact O-N 2.76Å; H666-S669 WeakPolarHBondContact CA-OG 3.26Å; H666-S669 PolarHBondContact ND1-OG 3.36Å; H666-S669 PolarHBondContact O-N 2.86Å; H666-S669 PolarHBondContact O-OG 3.35Å; H666-R670 PolarHBondContact O-N 2.89Å
667V73.2Confident67.5Low1 Ų156.7 Ų56.71%0.00631%0.305CS..Hα-helixtrans-56.6-52.2170.8177.30000109.9L644 F663 V664 S669 R670 V676 V681 V684L644-V667 HydrophobicContact CD1-CB 4.08Å; L644-V667 HydrophobicContact CD1-CG1 4.01Å; L644-V667 HydrophobicContact CD1-CG2 4.09Å; F663-V667 HydrophobicContact CD1-CG2 4.32Å; F663-V667 HydrophobicContact CE1-CG2 3.83Å; F663-V667 HydrophobicContact CZ-CG2 4.2Å; F663-V667 PolarHBondContact O-N 3.18Å; F663-V667 VanDerWaalsContact O-N 3.12Å; V664-V667 PolarHBondContact O-N 3.12Å; V667-S669 VanDerWaalsContact C-N 3.3Å; V667-S669 PolarHBondContact O-N 2.94Å; V667-R670 WeakPolarHBondContact O-CB 3.42Å; V667-R670 PolarHBondContact O-N 3.14Å; V667-V676 HydrophobicContact CG1-CG1 3.73Å; V667-V676 HydrophobicContact CG1-CG2 4.3Å; V667-V681 HydrophobicContact CG1-CG2 3.97Å; V667-V684 HydrophobicContact CG2-CB 4.01Å; V667-V684 HydrophobicContact CG2-CG1 3.72Å; V667-V684 HydrophobicContact CG2-CG2 4.43Å
668Y66.2Low68.1Low30 Ų3055.4 Ų55.412%0.11830%0.301CS..Hα-helixtrans-62.2-34.1179.5-89.5-82.5000113.4F570 W572 V664 R670 V671 V676F570-Y668 HydrophobicContact CE1-CE1 4.4Å; F570-Y668 AromaticContact CE1-CZ 3.87Å; F570-Y668 WeakPolarHBondContact CE1-OH 3.4Å; F570-Y668 HydrophobicContact CZ-CE2 4.47Å; F570-Y668 AromaticContact CZ-CZ 3.91Å; F570-Y668 WeakPolarHBondContact CZ-OH 3.33Å; W572-Y668 HydrophobicContact CH2-CD2 4.38Å; W572-Y668 AromaticContact CH2-CE1 3.81Å; W572-Y668 HydrophobicContact CH2-CE1 3.81Å; W572-Y668 AromaticContact CH2-CE2 3.6Å; W572-Y668 HydrophobicContact CH2-CE2 3.6Å; W572-Y668 AromaticContact CH2-CZ 3.24Å; W572-Y668 WeakPolarHBondContact CH2-OH 3.45Å; W572-Y668 HydrophobicContact CZ2-CD1 4.41Å; W572-Y668 AromaticContact CZ2-CE1 3.64Å; W572-Y668 HydrophobicContact CZ2-CE1 3.64Å; W572-Y668 HydrophobicContact CZ2-CE2 4.29Å; W572-Y668 AromaticContact CZ2-CZ 3.55Å; W572-Y668 WeakPolarHBondContact CZ2-OH 3.41Å; W572-Y668 HydrophobicContact CZ3-CE2 4.33Å; W572-Y668 WeakPolarHBondContact CZ3-OH 3.43Å; V664-Y668 HydrophobicContact CG1-CD2 4.08Å; V664-Y668 HydrophobicContact CG1-CE2 4.26Å; V664-Y668 PolarHBondContact O-N 2.83Å; V664-Y668 VanDerWaalsContact O-N 3.15Å; Y668-R670 PolarHBondContact O-N 3.01Å; Y668-R670 VanDerWaalsContact O-N 3.12Å; Y668-V671 PolarHBondContact O-N 3.24Å; Y668-V676 HydrophobicContact CD1-CG2 4.38Å; Y668-V676 HydrophobicContact CE1-CG2 4.01Å; Y668-V676 HydrophobicContact CE2-CG2 4.25Å
669S67.8Low69Low63 Ų6354.2 Ų54.244%0.44130%0.302SS..THydrogen-bonded Turntrans-66.8-7.6174.369.10000114.6L665 H666 V667L665-S669 WeakPolarHBondContact O-CB 3.34Å; L665-S669 PolarHBondContact O-N 3.15Å; L665-S669 PolarHBondContact O-OG 2.83Å; H666-S669 WeakPolarHBondContact CA-OG 3.26Å; H666-S669 PolarHBondContact ND1-OG 3.36Å; H666-S669 PolarHBondContact O-N 2.86Å; H666-S669 PolarHBondContact O-OG 3.35Å; V667-S669 VanDerWaalsContact C-N 3.3Å; V667-S669 PolarHBondContact O-N 2.94Å
670R72Confident69.5Low125 Ų12550 Ų5047%0.47229%0.29SS..THydrogen-bonded Turntrans-106.3-17.8-177.5-141.4-178.9-157.615715.7114.5H666 V667 Y668 P672 Q687H666-R670 PolarHBondContact O-N 2.89Å; V667-R670 WeakPolarHBondContact O-CB 3.42Å; V667-R670 PolarHBondContact O-N 3.14Å; Y668-R670 PolarHBondContact O-N 3.01Å; Y668-R670 VanDerWaalsContact O-N 3.12Å; R670-P672 WeakPolarHBondContact O-CD 3.33Å; R670-Q687 VanDerWaalsContact CZ-OE1 3.23Å
671V65.4Low69.9Low24 Ų2450 Ų5015%0.14529%0.29CS..  trans-97.6109.7-179179.20000108.7Y668 S673 V676 D680Y668-V671 PolarHBondContact O-N 3.24Å; V671-S673 PolarHBondContact O-N 3.38Å; V671-V676 HydrophobicContact CG2-CG2 4.29Å; V671-D680 HydrophobicContact CG2-CB 4.06Å
672P51.2Low70.8Confident131 Ų13150 Ų5085%0.85129%0.29SS*.SBendtrans-63.4-35.8-166.6-26.535.9000115.1R670R670-P672 WeakPolarHBondContact O-CD 3.33Å
673S50.7Low71.8Confident91 Ų9151 Ų5164%0.63630%0.299SS*.SBendtrans-174.5116.6164.9390000110V671V671-S673 PolarHBondContact O-N 3.38Å
674G51.7Low72.1Confident43 Ų4351.1 Ų51.144%0.44330%0.3SS..SBendtrans165.1-177.5-18000000113.9
675N59.2Low72.8Confident119 Ų11949.8 Ų49.864%0.63629%0.292SS*.  trans-75.3133.5164.7-72.9-14.3000108.8F570F570-N675 HydrophobicContact CD1-CB 4.4Å
676V67.3Low73.9Confident4 Ų453.5 Ų53.52%0.02431%0.307CS..  trans-65.5141.2172.21780000109.5F570 G640 V667 Y668 V671 D680 V681F570-V676 HydrophobicContact CE1-CB 3.79Å; F570-V676 HydrophobicContact CE1-CG2 3.81Å; F570-V676 HydrophobicContact CZ-CB 3.61Å; F570-V676 HydrophobicContact CZ-CG2 3.82Å; G640-V676 WeakPolarHBondContact CA-O 3.37Å; V667-V676 HydrophobicContact CG1-CG1 3.73Å; V667-V676 HydrophobicContact CG1-CG2 4.3Å; Y668-V676 HydrophobicContact CD1-CG2 4.38Å; Y668-V676 HydrophobicContact CE1-CG2 4.01Å; Y668-V676 HydrophobicContact CE2-CG2 4.25Å; V671-V676 HydrophobicContact CG2-CG2 4.29Å; V676-D680 HydrophobicContact CG1-CB 4.03Å; V676-V681 HydrophobicContact CG1-CG2 3.44Å; V676-V681 VanDerWaalsContact CG1-CG2 3.44Å
677T79.6Confident74.6Confident56 Ų5656.3 Ų56.334%0.34432%0.32SS..  trans-108.4171.6179.267.10000112.4D639 S679 D680D639-T677 CarbonylContact O-C 3.52Å; T677-S679 PolarHBondContact O-N 3.38Å; T677-S679 PolarHBondContact OG1-OG 2.92Å; T677-D680 WeakPolarHBondContact CB-OD2 3.36Å; T677-D680 PolarHBondContact N-OD2 2.95Å; T677-D680 PolarHBondContact O-N 3.31Å; T677-D680 PolarHBondContact OG1-N 2.98Å; T677-D680 PolarHBondContact OG1-OD2 3.46Å
678S83.4Confident75.1Confident27 Ų2760.9 Ų60.919%0.18934%0.34CS..Hα-helixtrans-54.5-48.4171.230.10000112.9F578 Y637 D639 D680 V681 I682F578-S678 VanDerWaalsContact CE1-CA 3.46Å; F578-S678 VanDerWaalsContact CZ-CA 3.49Å; Y637-S678 WeakPolarHBondContact O-CB 3.39Å; Y637-S678 PolarHBondContact O-OG 3.26Å; D639-S678 PolarHBondContact O-N 2.98Å; S678-D680 PolarHBondContact O-N 3.32Å; S678-V681 PolarHBondContact O-N 3.49Å; S678-I682 WeakPolarHBondContact O-CB 3.36Å; S678-I682 VanDerWaalsContact O-CG1 3.29Å; S678-I682 WeakPolarHBondContact O-CG1 3.42Å; S678-I682 PolarHBondContact O-N 2.91Å
679S84.6Confident76.1Confident64 Ų6461.2 Ų61.245%0.44834%0.341SS..Hα-helixtrans-53.9-53.2176.520.30000112.7T677 V681 I682 D683T677-S679 PolarHBondContact O-N 3.38Å; T677-S679 PolarHBondContact OG1-OG 2.92Å; S679-V681 PolarHBondContact O-N 3.27Å; S679-V681 VanDerWaalsContact O-N 3.1Å; S679-I682 PolarHBondContact O-N 3.3Å; S679-D683 WeakPolarHBondContact O-CB 3.49Å; S679-D683 PolarHBondContact O-N 2.97Å
680D83.7Confident76.8Confident52 Ų5262.5 Ų62.528%0.27835%0.348SS..Hα-helixtrans-56.6-35.1-175.1-55.2-48.5000112.7V671 V676 T677 S678 V684V671-D680 HydrophobicContact CG2-CB 4.06Å; V676-D680 HydrophobicContact CG1-CB 4.03Å; T677-D680 WeakPolarHBondContact CB-OD2 3.36Å; T677-D680 PolarHBondContact N-OD2 2.95Å; T677-D680 PolarHBondContact O-N 3.31Å; T677-D680 PolarHBondContact OG1-N 2.98Å; T677-D680 PolarHBondContact OG1-OD2 3.46Å; S678-D680 PolarHBondContact O-N 3.32Å; D680-V684 WeakPolarHBondContact O-CB 3.35Å; D680-V684 WeakPolarHBondContact O-CG2 3.26Å; D680-V684 PolarHBondContact O-N 3.28Å
681V83.4Confident77.4Confident0 Ų064.1 Ų64.10%037%0.366CS..Hα-helixtrans-82.3-44.7-178.51790000111.4F578 A643 L644 A647 V667 V676 S678 S679 D683 V684 F685 F698F578-V681 HydrophobicContact CE2-CB 4.4Å; F578-V681 HydrophobicContact CE2-CG2 3.92Å; F578-V681 HydrophobicContact CZ-CB 4.11Å; F578-V681 HydrophobicContact CZ-CG2 3.93Å; A643-V681 HydrophobicContact CB-CG1 4.28Å; L644-V681 HydrophobicContact CB-CG1 4.06Å; L644-V681 HydrophobicContact CB-CG2 4.05Å; L644-V681 HydrophobicContact CD1-CG2 4.01Å; A647-V681 HydrophobicContact CB-CG1 4.4Å; V667-V681 HydrophobicContact CG1-CG2 3.97Å; V676-V681 HydrophobicContact CG1-CG2 3.44Å; V676-V681 VanDerWaalsContact CG1-CG2 3.44Å; S678-V681 PolarHBondContact O-N 3.49Å; S679-V681 PolarHBondContact O-N 3.27Å; S679-V681 VanDerWaalsContact O-N 3.1Å; V681-D683 VanDerWaalsContact C-N 3.33Å; V681-D683 PolarHBondContact O-N 3.14Å; V681-V684 PolarHBondContact O-N 2.98Å; V681-F685 VanDerWaalsContact O-CB 3.31Å; V681-F685 WeakPolarHBondContact O-CB 3.36Å; V681-F685 PolarHBondContact O-N 2.91Å; V681-F698 HydrophobicContact CG1-CE1 4.44Å
682I88.2Confident78.2Confident18 Ų1866.9 Ų66.99%0.09238%0.377CS..Hα-helixtrans-64.6-40.1-179.6-70.4167.6000110.1Y637 S678 S679 F685 K686 L694 F698Y637-I682 HydrophobicContact CD1-CD1 3.66Å; Y637-I682 HydrophobicContact CE1-CD1 3.86Å; S678-I682 WeakPolarHBondContact O-CB 3.36Å; S678-I682 VanDerWaalsContact O-CG1 3.29Å; S678-I682 WeakPolarHBondContact O-CG1 3.42Å; S678-I682 PolarHBondContact O-N 2.91Å; S679-I682 PolarHBondContact O-N 3.3Å; I682-F685 PolarHBondContact O-N 3.47Å; I682-K686 WeakPolarHBondContact O-CB 3.39Å; I682-K686 PolarHBondContact O-N 3.29Å; I682-L694 HydrophobicContact CG2-CD1 3.69Å; I682-L694 HydrophobicContact CG2-CD2 4.1Å; I682-F698 HydrophobicContact CG1-CD1 4.49Å; I682-F698 HydrophobicContact CG1-CD2 4.24Å; I682-F698 HydrophobicContact CG1-CE1 4.39Å; I682-F698 HydrophobicContact CG1-CE2 4.18Å; I682-F698 HydrophobicContact CG1-CG 4.38Å; I682-F698 HydrophobicContact CG1-CZ 4.23Å
683D87.4Confident79.8Confident96 Ų9664.1 Ų64.151%0.51336%0.355SS..Hα-helixtrans-68-41.4177.6-70.3-22.3000112.3S679 V681 F685 Q687S679-D683 WeakPolarHBondContact O-CB 3.49Å; S679-D683 PolarHBondContact O-N 2.97Å; V681-D683 VanDerWaalsContact C-N 3.33Å; V681-D683 PolarHBondContact O-N 3.14Å; D683-F685 VanDerWaalsContact C-N 3.31Å; D683-F685 PolarHBondContact O-N 3.24Å; D683-Q687 WeakPolarHBondContact O-CB 3.47Å; D683-Q687 PolarHBondContact O-N 2.93Å; D683-Q687 VanDerWaalsContact O-N 3.09Å
684V86.1Confident81.5Confident3 Ų360.8 Ų60.82%0.01833%0.33CS..Hα-helixtrans-69.4-29174.4172.90000111.9F663 V667 D680 V681F663-V684 HydrophobicContact CE2-CG1 3.9Å; F663-V684 HydrophobicContact CZ-CG1 4.01Å; V667-V684 HydrophobicContact CG2-CB 4.01Å; V667-V684 HydrophobicContact CG2-CG1 3.72Å; V667-V684 HydrophobicContact CG2-CG2 4.43Å; D680-V684 WeakPolarHBondContact O-CB 3.35Å; D680-V684 WeakPolarHBondContact O-CG2 3.26Å; D680-V684 PolarHBondContact O-N 3.28Å; V681-V684 PolarHBondContact O-N 2.98Å
685F89.3Confident82.9Confident0 Ų062 Ų620%033%0.329CS..Hα-helixtrans-69.6-55.8172.5-168.4-94.7000111.1A647 F650 F663 V681 I682 D683 Q687 K688 Y689 E692 L694 V697 F698A647-F685 HydrophobicContact CB-CD2 3.71Å; A647-F685 HydrophobicContact CB-CE2 4.09Å; F650-F685 HydrophobicContact CB-CE2 4.29Å; F650-F685 AromaticContact CD1-CE2 3.65Å; F650-F685 HydrophobicContact CD1-CE2 3.65Å; F650-F685 AromaticContact CD1-CZ 3.63Å; F650-F685 HydrophobicContact CD1-CZ 3.63Å; F650-F685 HydrophobicContact CD2-CZ 4.17Å; F650-F685 HydrophobicContact CE1-CE2 4.23Å; F650-F685 AromaticContact CE1-CZ 3.86Å; F650-F685 HydrophobicContact CE1-CZ 3.86Å; F650-F685 HydrophobicContact CE2-CZ 4.36Å; F650-F685 AromaticContact CG-CE2 3.97Å; F650-F685 HydrophobicContact CG-CE2 3.97Å; F650-F685 AromaticContact CG-CZ 3.83Å; F650-F685 HydrophobicContact CG-CZ 3.83Å; F650-F685 HydrophobicContact CZ-CZ 4.23Å; F663-F685 HydrophobicContact CE2-CB 4.43Å; F663-F685 HydrophobicContact CE2-CD2 4.19Å; F663-F685 HydrophobicContact CZ-CB 4.03Å; F663-F685 AromaticContact CZ-CD2 3.99Å; F663-F685 HydrophobicContact CZ-CD2 3.99Å; V681-F685 VanDerWaalsContact O-CB 3.31Å; V681-F685 WeakPolarHBondContact O-CB 3.36Å; V681-F685 PolarHBondContact O-N 2.91Å; I682-F685 PolarHBondContact O-N 3.47Å; D683-F685 VanDerWaalsContact C-N 3.31Å; D683-F685 PolarHBondContact O-N 3.24Å; F685-Q687 PolarHBondContact O-N 3.42Å; F685-Q687 VanDerWaalsContact O-N 3.15Å; F685-K688 PolarHBondContact O-N 3.49Å; F685-Y689 HydrophobicContact CD2-CD2 4.19Å; F685-Y689 AromaticContact CE2-CD2 3.97Å; F685-Y689 HydrophobicContact CE2-CD2 3.97Å; F685-Y689 HydrophobicContact CE2-CE2 4.49Å; F685-Y689 HydrophobicContact CE2-CG 4.45Å; F685-Y689 HydrophobicContact CZ-CD2 4.22Å; F685-Y689 HydrophobicContact CZ-CG 4.25Å; F685-Y689 PolarHBondContact O-N 2.81Å; F685-E692 HydrophobicContact CE1-CB 4.29Å; F685-L694 HydrophobicContact CD1-CD2 4.16Å; F685-V697 HydrophobicContact CE1-CB 4.47Å; F685-V697 HydrophobicContact CE1-CG1 4.29Å; F685-V697 HydrophobicContact CE1-CG2 4.07Å; F685-V697 HydrophobicContact CE2-CG1 4.36Å; F685-V697 HydrophobicContact CZ-CB 4.47Å; F685-V697 HydrophobicContact CZ-CG1 3.97Å; F685-V697 HydrophobicContact CZ-CG2 3.96Å; F685-F698 HydrophobicContact CB-CE2 4.23Å; F685-F698 HydrophobicContact CB-CZ 3.87Å; F685-F698 AromaticContact CD1-CE2 3.68Å; F685-F698 HydrophobicContact CD1-CE2 3.68Å; F685-F698 AromaticContact CD1-CZ 3.95Å; F685-F698 HydrophobicContact CD1-CZ 3.95Å; F685-F698 HydrophobicContact CD2-CZ 4.09Å; F685-F698 HydrophobicContact CE1-CE2 4.17Å; F685-F698 AromaticContact CG-CE2 3.92Å; F685-F698 HydrophobicContact CG-CE2 3.92Å; F685-F698 AromaticContact CG-CZ 3.69Å; F685-F698 HydrophobicContact CG-CZ 3.69Å
686K88.8Confident84.2Confident106 Ų10659.9 Ų59.946%0.46132%0.32SS..Hα-helixtrans-51.7-38.4176.9-113.3172.3173.7167.30113.1I682 K688 Y689 P690 L694I682-K686 WeakPolarHBondContact O-CB 3.39Å; I682-K686 PolarHBondContact O-N 3.29Å; K686-K688 VanDerWaalsContact C-N 3.26Å; K686-K688 PolarHBondContact O-N 3.38Å; K686-Y689 CarbonylContact O-C 3.55Å; K686-P690 VanDerWaalsContact O-CA 3.3Å; K686-P690 WeakPolarHBondContact O-CA 3.23Å; K686-L694 HydrophobicContact CD-CD1 3.96Å; K686-L694 VanDerWaalsContact CE-CD1 3.44Å; K686-L694 HydrophobicContact CG-CD1 4.44Å; K686-L694 HydrophobicContact CG-CD2 4.31Å
687Q87Confident85.1Confident129 Ų12959.7 Ų59.760%0.60332%0.319SS*.THydrogen-bonded Turntrans-74.9-11.9-179.4-163.8167.760.300114.2R670 D683 F685R670-Q687 VanDerWaalsContact CZ-OE1 3.23Å; D683-Q687 WeakPolarHBondContact O-CB 3.47Å; D683-Q687 PolarHBondContact O-N 2.93Å; D683-Q687 VanDerWaalsContact O-N 3.09Å; F685-Q687 PolarHBondContact O-N 3.42Å; F685-Q687 VanDerWaalsContact O-N 3.15Å
688K84.2Confident85.6Confident97 Ų9757 Ų5742%0.42230%0.303SS..THydrogen-bonded Turntrans-108.1-26.7172.2-85-180172.71750113.9F663 F685 K686F663-K688 HydrophobicContact CD2-CD 3.92Å; F663-K688 HydrophobicContact CE2-CD 4.25Å; F685-K688 PolarHBondContact O-N 3.49Å; K686-K688 VanDerWaalsContact C-N 3.26Å; K686-K688 PolarHBondContact O-N 3.38Å
689Y87.6Confident85.7Confident38 Ų3858.8 Ų58.815%0.14931%0.31CS..  trans-134.173.6-176.9-61.7-86.2000108.1F650 V651 D654 F685 K686F650-Y689 HydrophobicContact CD1-CE1 4.47Å; F650-Y689 AromaticContact CE1-CD1 3.69Å; F650-Y689 HydrophobicContact CE1-CD1 3.69Å; F650-Y689 AromaticContact CE1-CE1 3.64Å; F650-Y689 HydrophobicContact CE1-CE1 3.64Å; F650-Y689 HydrophobicContact CE1-CG 4.14Å; F650-Y689 HydrophobicContact CZ-CD1 4.32Å; V651-Y689 HydrophobicContact CG2-CE2 3.71Å; D654-Y689 WeakPolarHBondContact OD2-CE1 3.5Å; D654-Y689 PolarHBondContact OD2-OH 3.1Å; F685-Y689 HydrophobicContact CD2-CD2 4.19Å; F685-Y689 AromaticContact CE2-CD2 3.97Å; F685-Y689 HydrophobicContact CE2-CD2 3.97Å; F685-Y689 HydrophobicContact CE2-CE2 4.49Å; F685-Y689 HydrophobicContact CE2-CG 4.45Å; F685-Y689 HydrophobicContact CZ-CD2 4.22Å; F685-Y689 HydrophobicContact CZ-CG 4.25Å; F685-Y689 PolarHBondContact O-N 2.81Å; K686-Y689 CarbonylContact O-C 3.55Å
690P82Confident85.6Confident89 Ų8957.9 Ų57.958%0.57830%0.302SS*.SBendtrans-77.1-23-175.231.5-35.4000113.1K686K686-P690 VanDerWaalsContact O-CA 3.3Å; K686-P690 WeakPolarHBondContact O-CA 3.23Å
691D84.1Confident85.5Confident160 Ų16062.8 Ų62.886%0.85633%0.328SS*.SBendtrans-89.5-6.5-175.9-45.8-63.9000113.2
692E83.8Confident85.5Confident82 Ų8263.4 Ų63.438%0.38333%0.333SS..SBendtrans-86.7146.5179.7-87.5-71.2-174.900112.5F650 F685F650-E692 HydrophobicContact CE2-CG 4.11Å; F650-E692 WeakPolarHBondContact CE2-OE1 3.39Å; F650-E692 HydrophobicContact CZ-CG 3.69Å; F650-E692 VanDerWaalsContact CZ-OE1 3.31Å; F650-E692 WeakPolarHBondContact CZ-OE1 3.48Å; F685-E692 HydrophobicContact CE1-CB 4.29Å
693D84.8Confident85.1Confident73 Ų7369.2 Ų69.239%0.3936%0.364SS..  trans-74.8136.3172.6177.838.2000111T695 T696 V697D693-T695 VanDerWaalsContact CG-N 3.3Å; D693-T695 PolarHBondContact OD1-N 3.23Å; D693-T695 VanDerWaalsContact OD1-N 3.13Å; D693-T695 PolarHBondContact OD1-OG1 2.93Å; D693-T695 WeakPolarHBondContact OD2-CA 3.01Å; D693-T695 VanDerWaalsContact OD2-CB 3.23Å; D693-T695 WeakPolarHBondContact OD2-CB 3.24Å; D693-T695 PolarHBondContact OD2-N 3.34Å; D693-T695 VanDerWaalsContact OD2-N 3.16Å; D693-T695 PolarHBondContact OD2-OG1 3.31Å; D693-T696 HydrophobicContact CB-CG2 4.22Å; D693-T696 PolarHBondContact O-OG1 2.8Å; D693-T696 VanDerWaalsContact O-OG1 3.1Å; D693-T696 PolarHBondContact OD2-N 3.24Å; D693-V697 WeakPolarHBondContact O-CG2 3.28Å
694L84.6Confident84.9Confident21 Ų2168.1 Ų68.111%0.1135%0.353CS..Hα-helixtrans-76.9-28.1175.1-67-177.8000111.9Y637 I682 F685 K686 F698Y637-L694 VanDerWaalsContact OH-CB 3.26Å; Y637-L694 WeakPolarHBondContact OH-CB 3.38Å; Y637-L694 PolarHBondContact OH-O 3.03Å; I682-L694 HydrophobicContact CG2-CD1 3.69Å; I682-L694 HydrophobicContact CG2-CD2 4.1Å; F685-L694 HydrophobicContact CD1-CD2 4.16Å; K686-L694 HydrophobicContact CD-CD1 3.96Å; K686-L694 VanDerWaalsContact CE-CD1 3.44Å; K686-L694 HydrophobicContact CG-CD1 4.44Å; K686-L694 HydrophobicContact CG-CD2 4.31Å; L694-F698 HydrophobicContact CB-CD2 4.2Å; L694-F698 HydrophobicContact CD2-CD2 3.72Å; L694-F698 HydrophobicContact CD2-CE2 3.53Å; L694-F698 WeakPolarHBondContact O-CB 3.34Å; L694-F698 WeakPolarHBondContact O-CD2 3.42Å; L694-F698 PolarHBondContact O-N 2.95Å
695T83Confident84.6Confident69 Ų6968.4 Ų68.442%0.42335%0.354SS..Hα-helixtrans-69.5-46.417990000111.9D693 V697 D699D693-T695 VanDerWaalsContact CG-N 3.3Å; D693-T695 PolarHBondContact OD1-N 3.23Å; D693-T695 VanDerWaalsContact OD1-N 3.13Å; D693-T695 PolarHBondContact OD1-OG1 2.93Å; D693-T695 WeakPolarHBondContact OD2-CA 3.01Å; D693-T695 VanDerWaalsContact OD2-CB 3.23Å; D693-T695 WeakPolarHBondContact OD2-CB 3.24Å; D693-T695 PolarHBondContact OD2-N 3.34Å; D693-T695 VanDerWaalsContact OD2-N 3.16Å; D693-T695 PolarHBondContact OD2-OG1 3.31Å; T695-V697 VanDerWaalsContact C-N 3.28Å; T695-V697 PolarHBondContact O-N 2.74Å; T695-D699 VanDerWaalsContact O-CB 3.3Å; T695-D699 WeakPolarHBondContact O-CB 3.28Å; T695-D699 PolarHBondContact O-N 3.39Å
696T85.8Confident83.9Confident73 Ų7370.6 Ų70.645%0.44837%0.368SS..Hα-helixtrans-57.4-36.8174.258.50000113.4D693 S702D693-T696 HydrophobicContact CB-CG2 4.22Å; D693-T696 PolarHBondContact O-OG1 2.8Å; D693-T696 VanDerWaalsContact O-OG1 3.1Å; D693-T696 PolarHBondContact OD2-N 3.24Å; T696-S702 WeakPolarHBondContact O-CB 3.24Å; T696-S702 PolarHBondContact O-OG 3.3Å; T696-S702 VanDerWaalsContact O-OG 3.13Å
697V85.3Confident83Confident0 Ų066.7 Ų66.70%036%0.357CS..Hα-helixtrans-82-46.8-179.3-179.60000112.4N646 F650 F685 D693 T695 S702 Y704N646-V697 HydrophobicContact CB-CG1 4.42Å; N646-V697 WeakPolarHBondContact CB-O 3.45Å; N646-V697 PolarHBondContact ND2-O 3.42Å; F650-V697 HydrophobicContact CD2-CG2 3.78Å; F650-V697 HydrophobicContact CE2-CG2 4.04Å; F685-V697 HydrophobicContact CE1-CB 4.47Å; F685-V697 HydrophobicContact CE1-CG1 4.29Å; F685-V697 HydrophobicContact CE1-CG2 4.07Å; F685-V697 HydrophobicContact CE2-CG1 4.36Å; F685-V697 HydrophobicContact CZ-CB 4.47Å; F685-V697 HydrophobicContact CZ-CG1 3.97Å; F685-V697 HydrophobicContact CZ-CG2 3.96Å; D693-V697 WeakPolarHBondContact O-CG2 3.28Å; T695-V697 VanDerWaalsContact C-N 3.28Å; T695-V697 PolarHBondContact O-N 2.74Å; V697-S702 WeakPolarHBondContact O-CB 3.41Å; V697-S702 PolarHBondContact O-OG 3.07Å; V697-Y704 HydrophobicContact CG2-CE2 4.39Å
698F89.9Confident82.4Confident0 Ų061 Ų610%033%0.331CS..Hα-helixtrans-105-8.6-163-65.6-68.4000116.4G636 Y637 A643 N646 A647 V681 I682 F685 L694G636-F698 VanDerWaalsContact CA-O 3.31Å; G636-F698 WeakPolarHBondContact CA-O 3.46Å; G636-F698 PolarHBondContact N-O 3.47Å; Y637-F698 HydrophobicContact CD2-CB 4.24Å; Y637-F698 HydrophobicContact CE2-CB 3.72Å; A643-F698 HydrophobicContact CB-CD1 3.53Å; A643-F698 HydrophobicContact CB-CE1 3.66Å; A643-F698 WeakPolarHBondContact O-CE1 3.39Å; N646-F698 HydrophobicContact CB-CD1 4.31Å; A647-F698 HydrophobicContact CB-CE1 4.15Å; A647-F698 HydrophobicContact CB-CZ 4.23Å; V681-F698 HydrophobicContact CG1-CE1 4.44Å; I682-F698 HydrophobicContact CG1-CD1 4.49Å; I682-F698 HydrophobicContact CG1-CD2 4.24Å; I682-F698 HydrophobicContact CG1-CE1 4.39Å; I682-F698 HydrophobicContact CG1-CE2 4.18Å; I682-F698 HydrophobicContact CG1-CG 4.38Å; I682-F698 HydrophobicContact CG1-CZ 4.23Å; F685-F698 HydrophobicContact CB-CE2 4.23Å; F685-F698 HydrophobicContact CB-CZ 3.87Å; F685-F698 AromaticContact CD1-CE2 3.68Å; F685-F698 HydrophobicContact CD1-CE2 3.68Å; F685-F698 AromaticContact CD1-CZ 3.95Å; F685-F698 HydrophobicContact CD1-CZ 3.95Å; F685-F698 HydrophobicContact CD2-CZ 4.09Å; F685-F698 HydrophobicContact CE1-CE2 4.17Å; F685-F698 AromaticContact CG-CE2 3.92Å; F685-F698 HydrophobicContact CG-CE2 3.92Å; F685-F698 AromaticContact CG-CZ 3.69Å; F685-F698 HydrophobicContact CG-CZ 3.69Å; L694-F698 HydrophobicContact CB-CD2 4.2Å; L694-F698 HydrophobicContact CD2-CD2 3.72Å; L694-F698 HydrophobicContact CD2-CE2 3.53Å; L694-F698 WeakPolarHBondContact O-CB 3.34Å; L694-F698 WeakPolarHBondContact O-CD2 3.42Å; L694-F698 PolarHBondContact O-N 2.95Å
699D85.9Confident82Confident65 Ų6560.3 Ų60.335%0.34833%0.329SS..SBendtrans-78.9177.7-176.7-147.2-11.7000114.1T695 D701 S702 N705T695-D699 VanDerWaalsContact O-CB 3.3Å; T695-D699 WeakPolarHBondContact O-CB 3.28Å; T695-D699 PolarHBondContact O-N 3.39Å; D699-D701 VanDerWaalsContact C-N 3.34Å; D699-D701 PolarHBondContact O-N 3Å; D699-S702 WeakPolarHBondContact O-CB 3.28Å; D699-S702 PolarHBondContact O-N 2.89Å; D699-N705 PolarHBondContact O-ND2 2.84Å
700V82.1Confident81.2Confident45 Ų4563.1 Ų63.127%0.27334%0.339SS..THydrogen-bonded Turntrans-58.3-44-178.6175.30000112.1K632 R708K632-V700 WeakPolarHBondContact O-CG1 3.46Å; V700-R708 PolarHBondContact O-NH2 3.48Å
701D82.4Confident80.8Confident155 Ų15560.1 Ų60.183%0.82932%0.316SS*.THydrogen-bonded Turntrans-93.99.8-172.2-61.3-36.4000113.6D699D699-D701 VanDerWaalsContact C-N 3.34Å; D699-D701 PolarHBondContact O-N 3Å
702S82.7Confident80.3Confident13 Ų1353.8 Ų53.89%0.09129%0.286CS..  trans-60.2131.7175.4159.10000113T696 V697 D699 Y704 N705T696-S702 WeakPolarHBondContact O-CB 3.24Å; T696-S702 PolarHBondContact O-OG 3.3Å; T696-S702 VanDerWaalsContact O-OG 3.13Å; V697-S702 WeakPolarHBondContact O-CB 3.41Å; V697-S702 PolarHBondContact O-OG 3.07Å; D699-S702 WeakPolarHBondContact O-CB 3.28Å; D699-S702 PolarHBondContact O-N 2.89Å; S702-Y704 PolarHBondContact O-N 2.97Å; S702-Y704 PolarHBondContact OG-N 3.42Å; S702-Y704 VanDerWaalsContact OG-N 3.16Å; S702-N705 WeakPolarHBondContact O-CB 3.31Å; S702-N705 PolarHBondContact O-N 2.98Å
703D80.7Confident80Confident140 Ų14054.7 Ų54.775%0.74929%0.291SS*.THydrogen-bonded Turntrans-57.8-28.1173-72.6-45000112.7N705 T706D703-N705 PolarHBondContact O-N 2.98Å; D703-T706 WeakPolarHBondContact O-CG2 3.33Å; D703-T706 PolarHBondContact O-OG1 2.75Å
704Y82.7Confident79.6Confident72 Ų7252 Ų5228%0.28228%0.275SS..THydrogen-bonded Turntrans-76.9-11.3178-49.8-78.2000112.8N649 F650 V697 S702 T706N649-Y704 PolarHBondContact ND2-O 3.33Å; F650-Y704 HydrophobicContact CB-CD1 3.88Å; F650-Y704 HydrophobicContact CB-CE1 4.08Å; F650-Y704 HydrophobicContact CB-CG 4.28Å; F650-Y704 HydrophobicContact CD2-CD1 4.21Å; F650-Y704 HydrophobicContact CD2-CD2 4.36Å; F650-Y704 AromaticContact CD2-CE1 3.68Å; F650-Y704 HydrophobicContact CD2-CE1 3.68Å; F650-Y704 AromaticContact CD2-CE2 3.86Å; F650-Y704 HydrophobicContact CD2-CE2 3.86Å; F650-Y704 AromaticContact CD2-CZ 3.48Å; F650-Y704 VanDerWaalsContact CD2-CZ 3.48Å; F650-Y704 HydrophobicContact CE2-CE2 4.47Å; F650-Y704 HydrophobicContact CG-CE1 4.26Å; V697-Y704 HydrophobicContact CG2-CE2 4.39Å; S702-Y704 PolarHBondContact O-N 2.97Å; S702-Y704 PolarHBondContact OG-N 3.42Å; S702-Y704 VanDerWaalsContact OG-N 3.16Å; Y704-T706 PolarHBondContact O-N 2.8Å
705N80.4Confident79.2Confident9 Ų951.6 Ų51.65%0.04828%0.275CS..SBendtrans-82.936.6-177.4-148.3-23000112.9N646 D699 S702 D703 R708N646-N705 PolarHBondContact OD1-OD1 2.77Å; D699-N705 PolarHBondContact O-ND2 2.84Å; S702-N705 WeakPolarHBondContact O-CB 3.31Å; S702-N705 PolarHBondContact O-N 2.98Å; D703-N705 PolarHBondContact O-N 2.98Å; N705-R708 VanDerWaalsContact CG-CZ 3.41Å; N705-R708 VanDerWaalsContact CG-NH2 3.29Å; N705-R708 PolarHBondContact ND2-NH2 2.8Å; N705-R708 PolarHBondContact O-NE 3.02Å; N705-R708 VanDerWaalsContact O-NE 3.12Å; N705-R708 VanDerWaalsContact OD1-CD 3.31Å; N705-R708 WeakPolarHBondContact OD1-CD 3.42Å; N705-R708 PolarHBondContact OD1-NE 2.89Å; N705-R708 PolarHBondContact OD1-NH2 2.85Å
706T74.9Confident78.8Confident47 Ų4755.6 Ų55.629%0.28829%0.289SS..  trans-108149-16638.30000113.6L645 N649 D703 Y704L645-T706 WeakPolarHBondContact CD2-O 3.36Å; N649-T706 PolarHBondContact ND2-O 2.75Å; D703-T706 WeakPolarHBondContact O-CG2 3.33Å; D703-T706 PolarHBondContact O-OG1 2.75Å; Y704-T706 PolarHBondContact O-N 2.8Å
707G69.6Low78.4Confident23 Ų2354.3 Ų54.324%0.23728%0.283CS..SBendtrans92.4-21.8-177.600000115.6Q709 R710G707-Q709 PolarHBondContact O-N 3.08Å; G707-R710 PolarHBondContact O-N 3.47Å
708R73.4Confident78Confident11 Ų1154.3 Ų54.34%0.04228%0.283CS..THydrogen-bonded Turntrans-57.1-12.6-170.759.4175.3163.5159.3-10.3119.1T628 D631 K632 V634 V700 N705 W711T628-R708 HydrophobicContact CG2-CB 4.35Å; T628-R708 WeakPolarHBondContact OG1-CB 3.29Å; T628-R708 WeakPolarHBondContact OG1-CD 3.5Å; D631-R708 PolarHBondContact O-NH1 3.03Å; K632-R708 PolarHBondContact O-NH1 3.47Å; K632-R708 PolarHBondContact O-NH2 3.47Å; V634-R708 PolarHBondContact O-NH1 3.24Å; V700-R708 PolarHBondContact O-NH2 3.48Å; N705-R708 VanDerWaalsContact CG-CZ 3.41Å; N705-R708 VanDerWaalsContact CG-NH2 3.29Å; N705-R708 PolarHBondContact ND2-NH2 2.8Å; N705-R708 PolarHBondContact O-NE 3.02Å; N705-R708 VanDerWaalsContact O-NE 3.12Å; N705-R708 VanDerWaalsContact OD1-CD 3.31Å; N705-R708 WeakPolarHBondContact OD1-CD 3.42Å; N705-R708 PolarHBondContact OD1-NE 2.89Å; N705-R708 PolarHBondContact OD1-NH2 2.85Å; R708-W711 PolarHBondContact O-NE1 3.05Å
709Q75.6Confident77.3Confident82 Ų8254.7 Ų54.738%0.38329%0.287SS..THydrogen-bonded Turntrans-101.5-24.4175.9-69.3-174.4-40.600113.7P630 G707 W711 A712 Q713P630-Q709 VanDerWaalsContact O-CG 3.32Å; P630-Q709 WeakPolarHBondContact O-CG 3.37Å; P630-Q709 PolarHBondContact O-NE2 3.06Å; G707-Q709 PolarHBondContact O-N 3.08Å; Q709-W711 VanDerWaalsContact C-N 3.34Å; Q709-W711 PolarHBondContact O-N 3.24Å; Q709-A712 PolarHBondContact O-N 3.17Å; Q709-Q713 WeakPolarHBondContact O-CG 3.46Å; Q709-Q713 PolarHBondContact O-N 2.81Å
710R71.1Confident76.7Confident97 Ų9752.6 Ų52.637%0.36628%0.276SS..Hα-helixtrans-71-28-175.8-93.8-171.1170.5179.2-2.5113.3W503 G707 Q713 F714W503-R710 HydrophobicContact CZ3-CB 4.25Å; W503-R710 HydrophobicContact CZ3-CG 4.22Å; W503-R710 WeakPolarHBondContact CZ3-O 3.48Å; G707-R710 PolarHBondContact O-N 3.47Å; R710-Q713 PolarHBondContact O-N 2.87Å; R710-F714 WeakPolarHBondContact O-CB 3.25Å; R710-F714 PolarHBondContact O-N 2.84Å
711W73.3Confident75.8Confident26 Ų2655.8 Ų55.810%0.09829%0.291CS..Hα-helixtrans-65.3-40.3175.882.9-95.1000112.5V575 H577 I625 L626 A627 T628 P630 R708 Q709 Q713 F714 A715 L723V575-W711 HydrophobicContact CG1-CB 3.36Å; V575-W711 HydrophobicContact CG1-CD2 3.51Å; V575-W711 HydrophobicContact CG1-CE3 3.5Å; V575-W711 HydrophobicContact CG1-CG 3.47Å; V575-W711 VanDerWaalsContact CG1-CG 3.47Å; V575-W711 HydrophobicContact CG1-CZ3 4.42Å; H577-W711 AromaticContact CD2-CZ2 3.91Å; I625-W711 HydrophobicContact CG2-CB 4.05Å; L626-W711 WeakPolarHBondContact O-CB 3.15Å; A627-W711 VanDerWaalsContact C-CD1 3.46Å; A627-W711 VanDerWaalsContact C-CE2 3.42Å; A627-W711 VanDerWaalsContact CA-NE1 3.35Å; A627-W711 HydrophobicContact CB-CD2 3.88Å; A627-W711 HydrophobicContact CB-CE3 4.27Å; A627-W711 HydrophobicContact CB-CG 4.33Å; A627-W711 HydrophobicContact CB-CH2 4.27Å; A627-W711 HydrophobicContact CB-CZ2 3.91Å; A627-W711 HydrophobicContact CB-CZ3 4.45Å; A627-W711 VanDerWaalsContact O-CE2 3.24Å; A627-W711 VanDerWaalsContact O-CZ2 3.3Å; A627-W711 WeakPolarHBondContact O-CZ2 3.1Å; A627-W711 PolarHBondContact O-NE1 3.49Å; A627-W711 VanDerWaalsContact O-NE1 3.1Å; T628-W711 PolarHBondContact O-NE1 3.26Å; T628-W711 VanDerWaalsContact O-NE1 3.15Å; P630-W711 HydrophobicContact CG-CZ2 4.35Å; R708-W711 PolarHBondContact O-NE1 3.05Å; Q709-W711 VanDerWaalsContact C-N 3.34Å; Q709-W711 PolarHBondContact O-N 3.24Å; W711-Q713 VanDerWaalsContact C-N 3.34Å; W711-F714 PolarHBondContact O-N 3.14Å; W711-A715 HydrophobicContact CE3-CB 4.42Å; W711-A715 HydrophobicContact CZ3-CB 4.49Å; W711-A715 PolarHBondContact O-N 3.05Å; W711-L723 HydrophobicContact CZ3-CD1 4.18Å
712A74.7Confident74.7Confident27 Ų2755.1 Ų55.122%0.22328%0.281CS..Hα-helixtrans-70.2-38.5-179.100000109.7P630 Q709 Q716P630-A712 HydrophobicContact CB-CB 4.23Å; Q709-A712 PolarHBondContact O-N 3.17Å; A712-Q716 WeakPolarHBondContact O-CB 3.14Å; A712-Q716 PolarHBondContact O-N 3.02Å
713Q78Confident73.5Confident101 Ų10157.7 Ų57.747%0.47229%0.293SS..Hα-helixtrans-59.3-47.4168.8-66.7174.2-21.300111.5W503 Q709 R710 W711 Q716 S717W503-Q713 HydrophobicContact CH2-CB 3.87Å; W503-Q713 HydrophobicContact CZ3-CB 4.48Å; Q709-Q713 WeakPolarHBondContact O-CG 3.46Å; Q709-Q713 PolarHBondContact O-N 2.81Å; R710-Q713 PolarHBondContact O-N 2.87Å; W711-Q713 VanDerWaalsContact C-N 3.34Å; Q713-Q716 PolarHBondContact O-N 3.41Å; Q713-S717 VanDerWaalsContact O-CB 3.27Å; Q713-S717 WeakPolarHBondContact O-CB 3.32Å; Q713-S717 PolarHBondContact O-N 2.84Å; Q713-S717 PolarHBondContact O-OG 3.24Å
714F76.5Confident72.2Confident15 Ų1552.7 Ų52.77%0.06627%0.268CS..Hα-helixtrans-61.4-46.9177.2170.6-104.5000112.7V498 W503 F523 I625 R710 W711 Q716 S717 S718 L720 L727V498-F714 HydrophobicContact CG1-CE2 4.26Å; V498-F714 HydrophobicContact CG1-CZ 4.41Å; W503-F714 AromaticContact CD1-CD2 3.77Å; W503-F714 HydrophobicContact CD2-CB 4.17Å; W503-F714 AromaticContact CD2-CD2 3.86Å; W503-F714 HydrophobicContact CD2-CD2 3.86Å; W503-F714 HydrophobicContact CD2-CG 4.44Å; W503-F714 AromaticContact CE2-CD2 3.85Å; W503-F714 HydrophobicContact CE3-CB 4.06Å; W503-F714 AromaticContact CG-CD2 3.84Å; W503-F714 HydrophobicContact CG-CD2 3.84Å; W503-F714 HydrophobicContact CG-CE2 4.42Å; W503-F714 HydrophobicContact CH2-CB 4.12Å; W503-F714 HydrophobicContact CZ2-CB 4.21Å; W503-F714 HydrophobicContact CZ3-CB 4.04Å; W503-F714 AromaticContact NE1-CD2 3.77Å; F523-F714 HydrophobicContact CE2-CE2 4.44Å; F523-F714 HydrophobicContact CZ-CE1 4.34Å; F523-F714 HydrophobicContact CZ-CE2 4.44Å; F523-F714 HydrophobicContact CZ-CZ 4.11Å; I625-F714 HydrophobicContact CD1-CD1 3.92Å; I625-F714 HydrophobicContact CD1-CE1 4Å; R710-F714 WeakPolarHBondContact O-CB 3.25Å; R710-F714 PolarHBondContact O-N 2.84Å; W711-F714 PolarHBondContact O-N 3.14Å; F714-Q716 VanDerWaalsContact C-N 3.32Å; F714-Q716 PolarHBondContact O-N 3.01Å; F714-S717 PolarHBondContact O-N 3.06Å; F714-S717 PolarHBondContact O-OG 2.85Å; F714-S718 VanDerWaalsContact O-CB 3.22Å; F714-S718 WeakPolarHBondContact O-CB 3.36Å; F714-S718 PolarHBondContact O-N 3.04Å; F714-S718 PolarHBondContact O-OG 2.99Å; F714-L720 HydrophobicContact CE1-CD1 4.15Å; F714-L720 HydrophobicContact CZ-CD1 4.32Å; F714-L727 HydrophobicContact CZ-CD1 4.21Å
715A74.3Confident71.3Confident13 Ų1350 Ų5011%0.10726%0.26CS..Hα-helixtrans-61.5-41.8177.600000111.4W711 S718 G719 L720W711-A715 HydrophobicContact CE3-CB 4.42Å; W711-A715 HydrophobicContact CZ3-CB 4.49Å; W711-A715 PolarHBondContact O-N 3.05Å; A715-S718 PolarHBondContact O-OG 2.92Å; A715-G719 PolarHBondContact O-N 3.05Å; A715-L720 PolarHBondContact O-N 2.7Å
716Q75.4Confident70.8Confident153 Ų15349.6 Ų49.672%0.71526%0.258SS*.Hα-helixtrans-72.4-35.2178.6-169.6173.920.500113.4A712 Q713 F714A712-Q716 WeakPolarHBondContact O-CB 3.14Å; A712-Q716 PolarHBondContact O-N 3.02Å; Q713-Q716 PolarHBondContact O-N 3.41Å; F714-Q716 VanDerWaalsContact C-N 3.32Å; F714-Q716 PolarHBondContact O-N 3.01Å
717S77.2Confident70.7Confident46 Ų4647.5 Ų47.532%0.32225%0.245SC..Hα-helixtrans-77.8-38.1178.571.10000112.3W503 Q713 F714 G719 K786W503-S717 WeakPolarHBondContact CZ2-OG 3.43Å; Q713-S717 VanDerWaalsContact O-CB 3.27Å; Q713-S717 WeakPolarHBondContact O-CB 3.32Å; Q713-S717 PolarHBondContact O-N 2.84Å; Q713-S717 PolarHBondContact O-OG 3.24Å; F714-S717 PolarHBondContact O-N 3.06Å; F714-S717 PolarHBondContact O-OG 2.85Å; S717-G719 VanDerWaalsContact C-N 3.31Å; S717-K786 WeakPolarHBondContact O-CB 3.28Å; S717-K786 WeakPolarHBondContact O-CG 3.38Å
718S78.1Confident71.1Confident1 Ų146.7 Ų46.71%0.00724%0.235CC..Hα-helixtrans-75.4-18.2175.1610000113.4F714 A715 L720 L787F714-S718 VanDerWaalsContact O-CB 3.22Å; F714-S718 WeakPolarHBondContact O-CB 3.36Å; F714-S718 PolarHBondContact O-N 3.04Å; F714-S718 PolarHBondContact O-OG 2.99Å; A715-S718 PolarHBondContact O-OG 2.92Å; S718-L720 PolarHBondContact O-N 2.86Å; S718-L720 WeakPolarHBondContact OG-CG 3.37Å; S718-L787 PolarHBondContact O-N 3.11Å
719G74.9Confident71.3Confident7 Ų746.2 Ų46.27%0.07223%0.233CC..THydrogen-bonded Turntrans69.820.3-176.300000113.9A715 S717 N721 L787A715-G719 PolarHBondContact O-N 3.05Å; S717-G719 VanDerWaalsContact C-N 3.31Å; G719-N721 PolarHBondContact O-N 3.02Å; G719-N721 PolarHBondContact O-OD1 2.99Å; G719-L787 WeakPolarHBondContact CA-O 3.44Å
720L72.8Confident71.2Confident22 Ų2242.3 Ų42.312%0.11522%0.215CC..  trans-72.380.8169.9-66.1173.3000108.7V498 F714 A715 S718 K722 L723 L727 P732V498-L720 HydrophobicContact CG2-CD1 4.32Å; V498-L720 HydrophobicContact CG2-CD2 4.24Å; V498-L720 HydrophobicContact CG2-CG 4.3Å; F714-L720 HydrophobicContact CE1-CD1 4.15Å; F714-L720 HydrophobicContact CZ-CD1 4.32Å; A715-L720 PolarHBondContact O-N 2.7Å; S718-L720 PolarHBondContact O-N 2.86Å; S718-L720 WeakPolarHBondContact OG-CG 3.37Å; L720-K722 VanDerWaalsContact C-N 3.34Å; L720-L723 WeakPolarHBondContact O-CD2 3.35Å; L720-L727 HydrophobicContact CD1-CD1 4.13Å; L720-L727 HydrophobicContact CD1-CD2 4.05Å; L720-L727 HydrophobicContact CD1-CG 4.44Å; L720-L727 HydrophobicContact CD2-CD2 4.19Å; L720-P732 HydrophobicContact CD2-CB 4.41Å
721N62.4Low71.6Confident112 Ų11239.4 Ų39.460%0.59921%0.205SC*.  trans-80.5-15.6-176.6-62.3-16.4000113.1G719G719-N721 PolarHBondContact O-N 3.02Å; G719-N721 PolarHBondContact O-OD1 2.99Å
722K60Low71.7Confident140 Ų14040.6 Ų40.661%0.60922%0.216SC*.SBendtrans-104.8129.2174.4-108.7-171.3174.7-173.50109.5L720 P724 D735L720-K722 VanDerWaalsContact C-N 3.34Å; K722-P724 CarbonylContact C-O 3.29Å; K722-P724 VanDerWaalsContact C-O 3.22Å; K722-D735 IonicContact NZ-OD2 2.62Å; K722-D735 PolarHBondContact NZ-OD2 3.04Å
723L57.4Low71.4Confident67 Ų6740.2 Ų40.235%0.35121%0.21SC..SBendtrans-135.7114-175-45.8-177.7000106.3L573 W711 L720L573-L723 HydrophobicContact CB-CB 3.92Å; L573-L723 HydrophobicContact CD1-CB 4.25Å; L573-L723 HydrophobicContact CD1-CD2 3.9Å; L573-L723 HydrophobicContact CD2-CB 3.84Å; L573-L723 HydrophobicContact CD2-CD1 3.89Å; L573-L723 HydrophobicContact CD2-CD2 3.51Å; L573-L723 HydrophobicContact CD2-CG 3.89Å; L573-L723 HydrophobicContact CG-CB 4.2Å; L573-L723 HydrophobicContact CG-CD2 4.26Å; W711-L723 HydrophobicContact CZ3-CD1 4.18Å; L720-L723 WeakPolarHBondContact O-CD2 3.35Å
724P54.1Low70.8Confident36 Ų3637.8 Ų37.823%0.23421%0.208CC..SBendcis-47160.43.9-24.728.3000118.3W572 K722W572-P724 VanDerWaalsContact O-CB 3.28Å; W572-P724 WeakPolarHBondContact O-CB 3.37Å; W572-P724 VanDerWaalsContact O-CG 3.32Å; W572-P724 WeakPolarHBondContact O-CG 3.47Å; K722-P724 CarbonylContact C-O 3.29Å; K722-P724 VanDerWaalsContact C-O 3.22Å
725S63.9Low69.9Low14 Ų1440.8 Ų40.810%0.09822%0.224CC..  trans-156.4166.1163.5-174.30000106.6S567 L573S567-S725 WeakPolarHBondContact CB-O 3.41Å; L573-S725 VanDerWaalsContact CD1-N 3.33Å
726V69.1Low69Low1 Ų142.5 Ų42.51%0.00623%0.231CC..  trans-142.7135.5162.5174.10000106.9L564 R566 P732 M733 V738 F743L564-V726 HydrophobicContact CD2-CG1 3.61Å; L564-V726 HydrophobicContact CG-CG1 4.25Å; R566-V726 HydrophobicContact CG-CG2 4.48Å; V726-P732 WeakPolarHBondContact O-CA 3.44Å; V726-M733 HydrophobicContact CB-CB 4.43Å; V726-M733 HydrophobicContact CB-CG 4.41Å; V726-M733 HydrophobicContact CB-SD 4.02Å; V726-M733 HydrophobicContact CG1-SD 3.76Å; V726-M733 PolarHBondContact O-N 3.37Å; V726-V738 HydrophobicContact CB-CG2 4.1Å; V726-V738 HydrophobicContact CG2-CB 4.48Å; V726-V738 HydrophobicContact CG2-CG1 3.76Å; V726-V738 HydrophobicContact CG2-CG2 3.79Å; V726-F743 HydrophobicContact CG1-CE2 4.04Å; V726-F743 HydrophobicContact CG2-CE2 4.25Å
727L73.6Confident68.1Low3 Ų336.8 Ų36.82%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-107.6117.4176.3-48.6-179.1000110.6V498 V565 F714 L720 F731 P732V498-L727 HydrophobicContact CB-CD1 4.14Å; V498-L727 HydrophobicContact CG2-CD1 4.31Å; V498-L727 HydrophobicContact CG2-CD2 4.4Å; V565-L727 HydrophobicContact CB-CB 4.06Å; V565-L727 HydrophobicContact CG1-CB 4.13Å; V565-L727 HydrophobicContact CG1-CD1 4Å; V565-L727 HydrophobicContact CG1-CG 4.14Å; V565-L727 PolarHBondContact N-O 3.07Å; V565-L727 PolarHBondContact O-N 2.99Å; F714-L727 HydrophobicContact CZ-CD1 4.21Å; L720-L727 HydrophobicContact CD1-CD1 4.13Å; L720-L727 HydrophobicContact CD1-CD2 4.05Å; L720-L727 HydrophobicContact CD1-CG 4.44Å; L720-L727 HydrophobicContact CD2-CD2 4.19Å; L727-F731 VanDerWaalsContact CA-O 3.3Å; L727-F731 WeakPolarHBondContact CA-O 3.47Å; L727-P732 HydrophobicContact CD2-CB 3.91Å
728L76.6Confident67Low6 Ų635.3 Ų35.33%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-97.9113.8166.2-173.275.3000108.7L564 G730 F731 E750 V751L564-L728 HydrophobicContact CB-CD1 4.11Å; L564-L728 HydrophobicContact CD1-CD1 4.11Å; L564-L728 HydrophobicContact CG-CD1 4.06Å; L728-G730 PolarHBondContact O-N 2.84Å; L728-F731 PolarHBondContact N-O 2.85Å; L728-F731 WeakPolarHBondContact O-CB 3.33Å; L728-F731 PolarHBondContact O-N 3.42Å; L728-E750 HydrophobicContact CD2-CB 3.5Å; L728-E750 VanDerWaalsContact CD2-CB 3.5Å; L728-V751 HydrophobicContact CD2-CG2 4.1Å
729N77.9Confident65.6Low2 Ų236.6 Ų36.61%0.01120%0.203CC..THydrogen-bonded Turntrans50.630.2-173.2-76.9-18.3000113.7F561 T563 I777F561-N729 PolarHBondContact O-ND2 3.47Å; F561-N729 PolarHBondContact O-OD1 2.88Å; T563-N729 PolarHBondContact N-OD1 2.95Å; T563-N729 PolarHBondContact O-N 3.31Å; N729-I777 HydrophobicContact CB-CG2 3.94Å
730G74.5Confident64.3Low0 Ų036.7 Ų36.70%020%0.202CC..THydrogen-bonded Turntrans93.9-16.5-177.900000114.6A497 V498 L728 P732A497-G730 CarbonylContact C-O 3.37Å; A497-G730 VanDerWaalsContact CA-O 3.3Å; A497-G730 WeakPolarHBondContact CA-O 3.48Å; A497-G730 VanDerWaalsContact CB-C 3.49Å; V498-G730 PolarHBondContact N-O 3.09Å; L728-G730 PolarHBondContact O-N 2.84Å; G730-P732 WeakPolarHBondContact O-CD 3.23Å
731F78.6Confident63Low35 Ų3539.4 Ų39.415%0.15422%0.217CC..EExtended strand (participates in β ladder)trans-74.4122.2177.3-67.5-73000111.4K495 A497 L727 L728 M733K495-F731 HydrophobicContact CB-CD1 3.62Å; K495-F731 HydrophobicContact CB-CE1 3.64Å; A497-F731 HydrophobicContact CB-CD1 3.75Å; A497-F731 HydrophobicContact CB-CD2 4.3Å; A497-F731 HydrophobicContact CB-CE1 3.82Å; A497-F731 HydrophobicContact CB-CE2 4.37Å; A497-F731 HydrophobicContact CB-CG 4Å; A497-F731 HydrophobicContact CB-CZ 4.14Å; L727-F731 VanDerWaalsContact CA-O 3.3Å; L727-F731 WeakPolarHBondContact CA-O 3.47Å; L728-F731 PolarHBondContact N-O 2.85Å; L728-F731 WeakPolarHBondContact O-CB 3.33Å; L728-F731 PolarHBondContact O-N 3.42Å; F731-M733 PolarHBondContact O-N 3.13Å
732P74.9Confident62.5Low52 Ų5236.6 Ų36.634%0.33820%0.2SC..EExtended strand (participates in β ladder)trans-69123172.728.7-32.2000110.8F496 L720 V726 L727 G730 L787F496-P732 WeakPolarHBondContact O-CD 3.45Å; L720-P732 HydrophobicContact CD2-CB 4.41Å; V726-P732 WeakPolarHBondContact O-CA 3.44Å; L727-P732 HydrophobicContact CD2-CB 3.91Å; G730-P732 WeakPolarHBondContact O-CD 3.23Å; P732-L787 HydrophobicContact CG-CD1 4.01Å
733M69Low62.4Low18 Ų1830.9 Ų30.99%0.08918%0.176CC..PPolyproline II helixtrans-69.8153.9168.2-61.8178.972.200110.3V726 F731 D737 V738 F743 A746 V747V726-M733 HydrophobicContact CB-CB 4.43Å; V726-M733 HydrophobicContact CB-CG 4.41Å; V726-M733 HydrophobicContact CB-SD 4.02Å; V726-M733 HydrophobicContact CG1-SD 3.76Å; V726-M733 PolarHBondContact O-N 3.37Å; F731-M733 PolarHBondContact O-N 3.13Å; M733-D737 HydrophobicContact CB-CB 4.26Å; M733-D737 HydrophobicContact CE-CB 3.95Å; M733-V738 HydrophobicContact CB-CG2 3.97Å; M733-F743 HydrophobicContact CE-CD2 4.03Å; M733-F743 HydrophobicContact CE-CE2 4.17Å; M733-F743 HydrophobicContact SD-CD2 4.31Å; M733-F743 HydrophobicContact SD-CE2 3.89Å; M733-A746 HydrophobicContact CE-CB 3.69Å; M733-V747 HydrophobicContact CE-CG2 3.99Å; M733-V747 HydrophobicContact SD-CG2 4.2Å
734A65.9Low62.5Low51 Ų5130.7 Ų30.742%0.42117%0.173SC..PPolyproline II helixtrans-73.6157.1177.400000111.3N736 D737 V738A734-N736 PolarHBondContact O-N 2.94Å; A734-D737 WeakPolarHBondContact CB-OD2 3.31Å; A734-D737 PolarHBondContact N-OD2 3.11Å; A734-D737 WeakPolarHBondContact O-CB 3.37Å; A734-D737 PolarHBondContact O-N 3.09Å; A734-V738 WeakPolarHBondContact O-CG2 3.13Å
735D58.3Low62.8Low78 Ų7834.9 Ų34.942%0.41719%0.189SC..SBendtrans-55.9-37.1-177.6-62.7-29.3000112.6K722 V738K722-D735 IonicContact NZ-OD2 2.62Å; K722-D735 PolarHBondContact NZ-OD2 3.04Å; D735-V738 PolarHBondContact O-N 2.71Å
736N54.7Low62.7Low48 Ų4834.9 Ų34.926%0.25719%0.19SC..G310 helixtrans-68-40.4178.4-62.548.4000112A734 V738 T739 Q1321A734-N736 PolarHBondContact O-N 2.94Å; N736-V738 PolarHBondContact O-N 3.19Å; N736-T739 WeakPolarHBondContact O-CG2 3.37Å; N736-T739 PolarHBondContact O-N 3.02Å; N736-T739 PolarHBondContact O-OG1 3.43Å; N736-Q1321 PolarHBondContact ND2-NE2 3.37Å
737D56.1Low62.6Low33 Ų3334.9 Ų34.918%0.17619%0.19CC..G310 helixtrans-65.2-8.4179.9-48-18.7000113.1M733 A734 F743 A746M733-D737 HydrophobicContact CB-CB 4.26Å; M733-D737 HydrophobicContact CE-CB 3.95Å; A734-D737 WeakPolarHBondContact CB-OD2 3.31Å; A734-D737 PolarHBondContact N-OD2 3.11Å; A734-D737 WeakPolarHBondContact O-CB 3.37Å; A734-D737 PolarHBondContact O-N 3.09Å; D737-F743 WeakPolarHBondContact O-CA 3.46Å; D737-A746 HydrophobicContact CB-CB 3.97Å
738V53.9Low62.3Low15 Ų1536.4 Ų36.49%0.09120%0.2CC..G310 helixtrans-104.84.1-173.71780000112.5V726 M733 A734 D735 N736V726-V738 HydrophobicContact CB-CG2 4.1Å; V726-V738 HydrophobicContact CG2-CB 4.48Å; V726-V738 HydrophobicContact CG2-CG1 3.76Å; V726-V738 HydrophobicContact CG2-CG2 3.79Å; M733-V738 HydrophobicContact CB-CG2 3.97Å; A734-V738 WeakPolarHBondContact O-CG2 3.13Å; D735-V738 PolarHBondContact O-N 2.71Å; N736-V738 PolarHBondContact O-N 3.19Å
739T49.5Very low62Low28 Ų2840.5 Ų40.517%0.17222%0.221CC..SBendtrans-64.3158.2166.455.70000111.4N736 D741 F743 E1219 V1220N736-T739 WeakPolarHBondContact O-CG2 3.37Å; N736-T739 PolarHBondContact O-N 3.02Å; N736-T739 PolarHBondContact O-OG1 3.43Å; T739-D741 VanDerWaalsContact C-N 3.26Å; T739-D741 PolarHBondContact O-N 3.2Å; T739-F743 WeakPolarHBondContact O-CB 3.37Å; T739-F743 PolarHBondContact O-N 2.73Å; T739-E1219 WeakPolarHBondContact CG2-O 3.49Å; T739-V1220 WeakPolarHBondContact CB-O 3.34Å
740S46.9Very low61.6Low9 Ų941.1 Ų41.16%0.06322%0.224CC..THydrogen-bonded Turntrans-62.8-32.5-169.939.70000114.6T594T594-S740 VanDerWaalsContact CG2-OG 3.23Å; T594-S740 WeakPolarHBondContact CG2-OG 3.47Å
741D46.6Very low61.6Low79 Ų7941.3 Ų41.342%0.42223%0.225SC..THydrogen-bonded Turntrans-99.9-39.9-162.3-55.64000109.7T739 T1221T739-D741 VanDerWaalsContact C-N 3.26Å; T739-D741 PolarHBondContact O-N 3.2Å; D741-T1221 WeakPolarHBondContact OD2-CA 3.03Å; D741-T1221 WeakPolarHBondContact OD2-CB 3.38Å; D741-T1221 WeakPolarHBondContact OD2-CG2 3.42Å
742Q51Low61.4Low53 Ų5342.6 Ų42.625%0.24824%0.238CC..Hα-helixtrans-74-22.4170.6-61.2-153.6-68.400113.5E744 E745 A746 G1222Q742-E744 VanDerWaalsContact C-N 3.32Å; Q742-E744 PolarHBondContact O-N 3.47Å; Q742-E745 PolarHBondContact O-N 3.02Å; Q742-A746 VanDerWaalsContact O-CB 3.24Å; Q742-A746 WeakPolarHBondContact O-CB 3.37Å; Q742-A746 PolarHBondContact O-N 2.85Å; Q742-G1222 VanDerWaalsContact CD-CA 3.46Å
743F58.8Low61.4Low21 Ų2145.1 Ų45.19%0.09225%0.245CC..Hα-helixtrans-61.1-38.1-173.6176.4-103.8000113.5L564 V726 M733 D737 T739 V747L564-F743 HydrophobicContact CD1-CZ 3.78Å; L564-F743 HydrophobicContact CD2-CZ 4.03Å; V726-F743 HydrophobicContact CG1-CE2 4.04Å; V726-F743 HydrophobicContact CG2-CE2 4.25Å; M733-F743 HydrophobicContact CE-CD2 4.03Å; M733-F743 HydrophobicContact CE-CE2 4.17Å; M733-F743 HydrophobicContact SD-CD2 4.31Å; M733-F743 HydrophobicContact SD-CE2 3.89Å; D737-F743 WeakPolarHBondContact O-CA 3.46Å; T739-F743 WeakPolarHBondContact O-CB 3.37Å; T739-F743 PolarHBondContact O-N 2.73Å; F743-V747 HydrophobicContact CD2-CG2 4.12Å; F743-V747 HydrophobicContact CE1-CG2 4.2Å; F743-V747 HydrophobicContact CE2-CG2 3.72Å; F743-V747 HydrophobicContact CZ-CG2 3.77Å; F743-V747 WeakPolarHBondContact O-CB 3.28Å; F743-V747 WeakPolarHBondContact O-CG2 3.35Å; F743-V747 PolarHBondContact O-N 3.33Å
744E57.9Low61.8Low62 Ų6244.9 Ų44.929%0.2925%0.245SC..Hα-helixtrans-65.8-47.2176.1-70.2-174129.900110.5K601 F617 Q742 V747 V748K601-E744 IonicContact NZ-OE2 2.72Å; K601-E744 PolarHBondContact NZ-OE2 3.35Å; F617-E744 HydrophobicContact CD2-CG 4.31Å; F617-E744 HydrophobicContact CE2-CB 3.6Å; F617-E744 HydrophobicContact CE2-CG 3.53Å; F617-E744 WeakPolarHBondContact CE2-OE1 3.3Å; F617-E744 HydrophobicContact CZ-CB 3.53Å; F617-E744 HydrophobicContact CZ-CG 3.81Å; F617-E744 WeakPolarHBondContact CZ-O 3.47Å; Q742-E744 VanDerWaalsContact C-N 3.32Å; Q742-E744 PolarHBondContact O-N 3.47Å; E744-V747 PolarHBondContact O-N 3.02Å; E744-V748 WeakPolarHBondContact O-CG2 3.16Å; E744-V748 PolarHBondContact O-N 2.84Å
745E61.6Low62.6Low124 Ų12443.4 Ų43.458%0.57923%0.231SC*.Hα-helixtrans-66.1-41.1178.5-171.5175.8-134.100113Q742 V748 L749Q742-E745 PolarHBondContact O-N 3.02Å; E745-V748 PolarHBondContact O-N 2.77Å; E745-L749 HydrophobicContact CG-CD1 4.42Å; E745-L749 WeakPolarHBondContact O-CB 3.45Å; E745-L749 PolarHBondContact O-N 3.38Å
746A61.7Low63.7Low15 Ų1542.6 Ų42.612%0.12423%0.231CC..Hα-helixtrans-67.1-39.4178.200000112M733 D737 Q742 L749 E750M733-A746 HydrophobicContact CE-CB 3.69Å; D737-A746 HydrophobicContact CB-CB 3.97Å; Q742-A746 VanDerWaalsContact O-CB 3.24Å; Q742-A746 WeakPolarHBondContact O-CB 3.37Å; Q742-A746 PolarHBondContact O-N 2.85Å; A746-L749 PolarHBondContact O-N 3.4Å; A746-E750 WeakPolarHBondContact O-CG 3.29Å; A746-E750 PolarHBondContact O-N 2.98Å
747V66.5Low65Low0 Ų044.5 Ų44.50%024%0.239CC..Hα-helixtrans-63.5-45.5172170.30000110.3L564 F617 M733 F743 E744 L749 E750 V751L564-V747 HydrophobicContact CD1-CG1 4.08Å; L564-V747 HydrophobicContact CD1-CG2 3.73Å; F617-V747 HydrophobicContact CD1-CG1 4.49Å; F617-V747 HydrophobicContact CE1-CB 4.24Å; F617-V747 HydrophobicContact CE1-CG1 3.93Å; M733-V747 HydrophobicContact CE-CG2 3.99Å; M733-V747 HydrophobicContact SD-CG2 4.2Å; F743-V747 HydrophobicContact CD2-CG2 4.12Å; F743-V747 HydrophobicContact CE1-CG2 4.2Å; F743-V747 HydrophobicContact CE2-CG2 3.72Å; F743-V747 HydrophobicContact CZ-CG2 3.77Å; F743-V747 WeakPolarHBondContact O-CB 3.28Å; F743-V747 WeakPolarHBondContact O-CG2 3.35Å; F743-V747 PolarHBondContact O-N 3.33Å; E744-V747 PolarHBondContact O-N 3.02Å; V747-L749 VanDerWaalsContact C-N 3.35Å; V747-L749 PolarHBondContact O-N 3.48Å; V747-E750 PolarHBondContact O-N 3.42Å; V747-V751 HydrophobicContact CG1-CG2 4.07Å; V747-V751 WeakPolarHBondContact O-CB 3.33Å; V747-V751 WeakPolarHBondContact O-CG2 3.31Å; V747-V751 PolarHBondContact O-N 3.44Å
748V67.3Low66.4Low36 Ų3642.9 Ų42.922%0.21823%0.23CC..Hα-helixtrans-59.2-43.3176.2166.60000111.8G552 I554 F617 E744 E745 V751 S752G552-V748 WeakPolarHBondContact O-CG1 3.36Å; I554-V748 HydrophobicContact CD1-CG2 4.1Å; I554-V748 HydrophobicContact CG1-CG2 4.2Å; F617-V748 HydrophobicContact CE1-CG2 4.12Å; F617-V748 HydrophobicContact CZ-CG2 3.88Å; E744-V748 WeakPolarHBondContact O-CG2 3.16Å; E744-V748 PolarHBondContact O-N 2.84Å; E745-V748 PolarHBondContact O-N 2.77Å; V748-V751 PolarHBondContact O-N 2.71Å; V748-S752 WeakPolarHBondContact O-CB 3.33Å; V748-S752 PolarHBondContact O-N 2.68Å
749L69.7Low68.1Low92 Ų9244.6 Ų44.648%0.48224%0.237SC..Hα-helixtrans-61.4-49.8177-94.6163.5000112.7E745 A746 V747 S752 Q753E745-L749 HydrophobicContact CG-CD1 4.42Å; E745-L749 WeakPolarHBondContact O-CB 3.45Å; E745-L749 PolarHBondContact O-N 3.38Å; A746-L749 PolarHBondContact O-N 3.4Å; V747-L749 VanDerWaalsContact C-N 3.35Å; V747-L749 PolarHBondContact O-N 3.48Å; L749-S752 WeakPolarHBondContact O-CB 3.28Å; L749-S752 PolarHBondContact O-N 3.02Å; L749-Q753 PolarHBondContact O-N 3.09Å
750E70.7Confident69.8Low15 Ų1550.5 Ų50.57%0.0726%0.256CS..Hα-helixtrans-68.3-38.7178.7-63.2-66.6142.300111.7K495 L728 A746 V747 S752 Q753 V754 R1313K495-E750 IonicContact NZ-OE1 3.33Å; K495-E750 PolarHBondContact NZ-OE1 3.29Å; K495-E750 IonicContact NZ-OE2 2.72Å; K495-E750 PolarHBondContact NZ-OE2 2.71Å; L728-E750 HydrophobicContact CD2-CB 3.5Å; L728-E750 VanDerWaalsContact CD2-CB 3.5Å; A746-E750 WeakPolarHBondContact O-CG 3.29Å; A746-E750 PolarHBondContact O-N 2.98Å; V747-E750 PolarHBondContact O-N 3.42Å; E750-S752 VanDerWaalsContact C-N 3.3Å; E750-S752 PolarHBondContact O-N 3.19Å; E750-Q753 PolarHBondContact O-N 3.41Å; E750-V754 WeakPolarHBondContact O-CB 3.38Å; E750-V754 WeakPolarHBondContact O-CG2 3.41Å; E750-V754 PolarHBondContact O-N 2Å; E750-R1313 IonicContact OE1-CZ 3.79Å; E750-R1313 IonicContact OE1-NH1 3.22Å; E750-R1313 PolarHBondContact OE1-NH1 2.81Å; E750-R1313 IonicContact OE1-NH2 3.4Å; E750-R1313 PolarHBondContact OE1-NH2 3.35Å
751V74.6Confident71.8Confident4 Ų450.6 Ų50.62%0.02426%0.257CS..Hα-helixtrans-59-40.8171.8164.70000110.8I554 F562 L728 V747 V748 V754 T755I554-V751 HydrophobicContact CD1-CG1 4.31Å; I554-V751 HydrophobicContact CD1-CG2 4.49Å; I554-V751 HydrophobicContact CG1-CG1 4.12Å; I554-V751 HydrophobicContact CG2-CG1 4.02Å; F562-V751 HydrophobicContact CB-CG2 4.44Å; F562-V751 HydrophobicContact CD1-CG1 4.27Å; F562-V751 HydrophobicContact CD1-CG2 3.95Å; F562-V751 HydrophobicContact CD2-CG1 4.24Å; F562-V751 HydrophobicContact CE1-CB 4.46Å; F562-V751 HydrophobicContact CE1-CG1 3.96Å; F562-V751 HydrophobicContact CE1-CG2 4.39Å; F562-V751 HydrophobicContact CE2-CG1 3.93Å; F562-V751 HydrophobicContact CG-CG1 4.42Å; F562-V751 HydrophobicContact CG-CG2 4.04Å; F562-V751 HydrophobicContact CZ-CG1 3.8Å; L728-V751 HydrophobicContact CD2-CG2 4.1Å; V747-V751 HydrophobicContact CG1-CG2 4.07Å; V747-V751 WeakPolarHBondContact O-CB 3.33Å; V747-V751 WeakPolarHBondContact O-CG2 3.31Å; V747-V751 PolarHBondContact O-N 3.44Å; V748-V751 PolarHBondContact O-N 2.71Å; V751-V754 PolarHBondContact O-N 2.9Å; V751-T755 WeakPolarHBondContact O-CB 3.42Å; V751-T755 PolarHBondContact O-N 3.38Å; V751-T755 PolarHBondContact O-OG1 3.25Å
752S73.8Confident73.9Confident61 Ų6147.3 Ų47.343%0.42724%0.24SC..Hα-helixtrans-65-42.2176.1-166.80000112.6V748 L749 E750 T755 S756V748-S752 WeakPolarHBondContact O-CB 3.33Å; V748-S752 PolarHBondContact O-N 2.68Å; L749-S752 WeakPolarHBondContact O-CB 3.28Å; L749-S752 PolarHBondContact O-N 3.02Å; E750-S752 VanDerWaalsContact C-N 3.3Å; E750-S752 PolarHBondContact O-N 3.19Å; S752-T755 PolarHBondContact O-N 2.91Å; S752-S756 PolarHBondContact O-N 2.96Å; S752-S756 VanDerWaalsContact O-N 3.12Å; S752-S756 PolarHBondContact O-OG 3.32Å
753Q74.2Confident75.7Confident105 Ų10551.1 Ų51.149%0.49126%0.261SS..Hα-helixtrans-64-46.8174.7-68.7-166.4-10.500111.8L749 E750 S756 E757L749-Q753 PolarHBondContact O-N 3.09Å; E750-Q753 PolarHBondContact O-N 3.41Å; Q753-S756 WeakPolarHBondContact O-CB 3.41Å; Q753-S756 PolarHBondContact O-N 3.28Å; Q753-E757 PolarHBondContact O-N 2.91Å
754V77.7Confident77.2Confident13 Ų1355 Ų558%0.07928%0.28CS..Hα-helixtrans-67.1-37.5178.4174.80000111.8F562 E750 V751 S756 E757 L758F562-V754 HydrophobicContact CD1-CG1 4.48Å; F562-V754 HydrophobicContact CE1-CB 4.32Å; F562-V754 HydrophobicContact CE1-CG1 4.02Å; E750-V754 WeakPolarHBondContact O-CB 3.38Å; E750-V754 WeakPolarHBondContact O-CG2 3.41Å; E750-V754 PolarHBondContact O-N 2Å; V751-V754 PolarHBondContact O-N 2.9Å; V754-S756 VanDerWaalsContact C-N 3.28Å; V754-S756 PolarHBondContact O-N 2.83Å; V754-E757 PolarHBondContact O-N 2.58Å; V754-L758 HydrophobicContact CG1-CD1 3.86Å; V754-L758 HydrophobicContact CG1-CG 4.27Å; V754-L758 WeakPolarHBondContact O-CG 3.39Å; V754-L758 PolarHBondContact O-N 2.62Å
755T83Confident78.7Confident21 Ų2154.5 Ų54.513%0.12929%0.291CS..Hα-helixtrans-58-42.3174.2-64.10000111L545 F562 V751 S752 E757 L758 Q759L545-T755 HydrophobicContact CD2-CG2 4.41Å; F562-T755 WeakPolarHBondContact CZ-OG1 3.33Å; V751-T755 WeakPolarHBondContact O-CB 3.42Å; V751-T755 PolarHBondContact O-N 3.38Å; V751-T755 PolarHBondContact O-OG1 3.25Å; S752-T755 PolarHBondContact O-N 2.91Å; T755-E757 VanDerWaalsContact C-N 3.32Å; T755-E757 PolarHBondContact O-N 3.14Å; T755-L758 PolarHBondContact O-N 3.23Å; T755-L758 VanDerWaalsContact O-N 3.17Å; T755-Q759 HydrophobicContact CG2-CG 4.22Å; T755-Q759 WeakPolarHBondContact O-CB 3.3Å; T755-Q759 WeakPolarHBondContact O-CG 3.32Å; T755-Q759 PolarHBondContact O-N 3.28Å
756S81.1Confident80Confident61 Ų6154.8 Ų54.843%0.42729%0.291SS..Hα-helixtrans-61.9-37.2178.7-56.90000112.7S752 Q753 V754 R760S752-S756 PolarHBondContact O-N 2.96Å; S752-S756 VanDerWaalsContact O-N 3.12Å; S752-S756 PolarHBondContact O-OG 3.32Å; Q753-S756 WeakPolarHBondContact O-CB 3.41Å; Q753-S756 PolarHBondContact O-N 3.28Å; V754-S756 VanDerWaalsContact C-N 3.28Å; V754-S756 PolarHBondContact O-N 2.83Å; S756-R760 PolarHBondContact O-N 2.94Å
757E82.5Confident81.2Confident87 Ų8754.2 Ų54.241%0.40729%0.285SS..Hα-helixtrans-71.1-41172.1-70.1-156.9133.300112.8Q753 V754 T755 R760 A761 K780Q753-E757 PolarHBondContact O-N 2.91Å; V754-E757 PolarHBondContact O-N 2.58Å; T755-E757 VanDerWaalsContact C-N 3.32Å; T755-E757 PolarHBondContact O-N 3.14Å; E757-R760 PolarHBondContact O-N 2.92Å; E757-A761 PolarHBondContact O-N 3.03Å; E757-K780 IonicContact OE2-NZ 2.8Å; E757-K780 PolarHBondContact OE2-NZ 2.74Å
758L86.5Confident82.3Confident0 Ų057.5 Ų57.50%031%0.306CS..Hα-helixtrans-66.5-42.3-179.3-70.8169.5000111.6L545 F561 F562 V754 T755 R760 A761 V762 L767 I777L545-L758 HydrophobicContact CD1-CB 3.84Å; F561-L758 HydrophobicContact CD1-CD1 3.96Å; F562-L758 HydrophobicContact CE1-CD1 4.25Å; F562-L758 HydrophobicContact CZ-CD1 4.48Å; V754-L758 HydrophobicContact CG1-CD1 3.86Å; V754-L758 HydrophobicContact CG1-CG 4.27Å; V754-L758 WeakPolarHBondContact O-CG 3.39Å; V754-L758 PolarHBondContact O-N 2.62Å; T755-L758 PolarHBondContact O-N 3.23Å; T755-L758 VanDerWaalsContact O-N 3.17Å; L758-R760 VanDerWaalsContact C-N 3.31Å; L758-R760 PolarHBondContact O-N 2.87Å; L758-A761 WeakPolarHBondContact O-CB 3.35Å; L758-A761 PolarHBondContact O-N 3.48Å; L758-A761 VanDerWaalsContact O-N 3.1Å; L758-V762 WeakPolarHBondContact O-CG2 3.17Å; L758-V762 PolarHBondContact O-N 2.93Å; L758-L767 HydrophobicContact CD2-CD2 3.92Å; L758-I777 HydrophobicContact CD1-CD1 4.33Å; L758-I777 HydrophobicContact CD2-CD1 4.12Å; L758-I777 HydrophobicContact CD2-CG1 4.05Å
759Q87.9Confident83.2Confident51 Ų5159 Ų5924%0.23831%0.312CS..Hα-helixtrans-55.3-46.1172.2-75.9174.7-31.400111.5L545 L546 T755 A761 V762 L763L545-Q759 HydrophobicContact CB-CG 4.07Å; L545-Q759 WeakPolarHBondContact O-CG 3.08Å; L545-Q759 PolarHBondContact O-NE2 3.26Å; L546-Q759 HydrophobicContact CD2-CB 4.08Å; L546-Q759 HydrophobicContact CD2-CG 4.24Å; T755-Q759 HydrophobicContact CG2-CG 4.22Å; T755-Q759 WeakPolarHBondContact O-CB 3.3Å; T755-Q759 WeakPolarHBondContact O-CG 3.32Å; T755-Q759 PolarHBondContact O-N 3.28Å; Q759-A761 VanDerWaalsContact C-N 3.35Å; Q759-A761 PolarHBondContact O-N 3.01Å; Q759-V762 PolarHBondContact O-N 2.87Å; Q759-L763 WeakPolarHBondContact O-CG 3.28Å; Q759-L763 PolarHBondContact O-N 2.99Å
760R86.9Confident83.9Confident152 Ų15258.4 Ų58.457%0.57433%0.329SS*.Hα-helixtrans-62.6-40.6175.1-170-179.4-64.1141.73111.8S756 E757 L758 V762 L763 E764S756-R760 PolarHBondContact O-N 2.94Å; E757-R760 PolarHBondContact O-N 2.92Å; L758-R760 VanDerWaalsContact C-N 3.31Å; L758-R760 PolarHBondContact O-N 2.87Å; R760-V762 PolarHBondContact O-N 3.46Å; R760-L763 PolarHBondContact O-N 2.77Å; R760-E764 WeakPolarHBondContact CD-OE1 3.18Å; R760-E764 HydrophobicContact CG-CG 4.31Å; R760-E764 VanDerWaalsContact CG-OE1 3.31Å; R760-E764 WeakPolarHBondContact CG-OE1 3.4Å; R760-E764 WeakPolarHBondContact O-CB 3.03Å; R760-E764 VanDerWaalsContact O-CG 3.29Å; R760-E764 WeakPolarHBondContact O-CG 3.16Å; R760-E764 PolarHBondContact O-N 3.34Å
761A87.5Confident84.6Confident10 Ų1060 Ų608%0.08334%0.34CS..Hα-helixtrans-65.7-32.9177.300000113.7E757 L758 Q759 G765 K766 L767 F776E757-A761 PolarHBondContact O-N 3.03Å; L758-A761 WeakPolarHBondContact O-CB 3.35Å; L758-A761 PolarHBondContact O-N 3.48Å; L758-A761 VanDerWaalsContact O-N 3.1Å; Q759-A761 VanDerWaalsContact C-N 3.35Å; Q759-A761 PolarHBondContact O-N 3.01Å; A761-G765 PolarHBondContact O-N 3Å; A761-K766 PolarHBondContact O-N 3.14Å; A761-L767 HydrophobicContact CB-CB 4.19Å; A761-L767 PolarHBondContact O-N 3.39Å; A761-L767 VanDerWaalsContact O-N 3.12Å; A761-F776 HydrophobicContact CB-CE1 4.01Å; A761-F776 HydrophobicContact CB-CZ 3.9Å
762V90.3Very high84.9Confident11 Ų1163.7 Ų63.77%0.06736%0.359CS..Hα-helixtrans-72.3-44.3172.5-179.40000110.6V542 L545 L546 L758 Q759 R760 E764 G765 L767V542-V762 HydrophobicContact CB-CG2 3.99Å; V542-V762 HydrophobicContact CG2-CG1 4.44Å; V542-V762 HydrophobicContact CG2-CG2 4.16Å; L545-V762 HydrophobicContact CD1-CG2 4.29Å; L546-V762 HydrophobicContact CD1-CB 4.48Å; L546-V762 HydrophobicContact CD1-CG1 3.85Å; L546-V762 HydrophobicContact CD2-CB 4.37Å; L546-V762 HydrophobicContact CG-CG1 4.14Å; L758-V762 WeakPolarHBondContact O-CG2 3.17Å; L758-V762 PolarHBondContact O-N 2.93Å; Q759-V762 PolarHBondContact O-N 2.87Å; R760-V762 PolarHBondContact O-N 3.46Å; V762-E764 VanDerWaalsContact C-N 3.31Å; V762-E764 PolarHBondContact O-N 2.78Å; V762-G765 PolarHBondContact O-N 2.88Å; V762-L767 HydrophobicContact CG2-CB 4.06Å; V762-L767 HydrophobicContact CG2-CD2 3.98Å; V762-L767 HydrophobicContact CG2-CG 4.25Å
763L89.9Confident85.3Confident132 Ų13261 Ų6169%0.69134%0.34SS*.Hα-helixtrans-60.7-36.8175.6-76164.8000113L546 Q759 R760 G765L546-L763 HydrophobicContact CD1-CD2 3.92Å; L546-L763 HydrophobicContact CD1-CG 4.13Å; L546-L763 HydrophobicContact CD2-CD1 4.2Å; L546-L763 HydrophobicContact CD2-CD2 4.33Å; L546-L763 HydrophobicContact CD2-CG 3.81Å; Q759-L763 WeakPolarHBondContact O-CG 3.28Å; Q759-L763 PolarHBondContact O-N 2.99Å; R760-L763 PolarHBondContact O-N 2.77Å; L763-G765 PolarHBondContact O-N 3.12Å
764E90.7Very high85.4Confident103 Ų10356.7 Ų56.748%0.48132%0.32SS..THydrogen-bonded Turntrans-78.82174.5-69.5175-174.100113.4R760 V762 K766R760-E764 WeakPolarHBondContact CD-OE1 3.18Å; R760-E764 HydrophobicContact CG-CG 4.31Å; R760-E764 VanDerWaalsContact CG-OE1 3.31Å; R760-E764 WeakPolarHBondContact CG-OE1 3.4Å; R760-E764 WeakPolarHBondContact O-CB 3.03Å; R760-E764 VanDerWaalsContact O-CG 3.29Å; R760-E764 WeakPolarHBondContact O-CG 3.16Å; R760-E764 PolarHBondContact O-N 3.34Å; V762-E764 VanDerWaalsContact C-N 3.31Å; V762-E764 PolarHBondContact O-N 2.78Å; E764-K766 HydrophobicContact CB-CD 4.17Å; E764-K766 HydrophobicContact CB-CG 4.2Å; E764-K766 PolarHBondContact O-N 3.15Å; E764-K766 WeakPolarHBondContact OE2-CD 3.23Å; E764-K766 WeakPolarHBondContact OE2-CE 3.11Å; E764-K766 IonicContact OE2-NZ 3.53Å; E764-K766 PolarHBondContact OE2-NZ 2.53Å
765G88.6Confident85.5Confident51 Ų5163 Ų6353%0.52634%0.342SS..THydrogen-bonded Turntrans68.89-179.400000115.2A761 V762 L763A761-G765 PolarHBondContact O-N 3Å; V762-G765 PolarHBondContact O-N 2.88Å; L763-G765 PolarHBondContact O-N 3.12Å
766K88Confident85.5Confident131 Ų13164.4 Ų64.457%0.5735%0.347SS*.SBendtrans-78.8-24.3-178.3-67.5174-179.2166.20113.1A761 E764 F776A761-K766 PolarHBondContact O-N 3.14Å; E764-K766 HydrophobicContact CB-CD 4.17Å; E764-K766 HydrophobicContact CB-CG 4.2Å; E764-K766 PolarHBondContact O-N 3.15Å; E764-K766 WeakPolarHBondContact OE2-CD 3.23Å; E764-K766 WeakPolarHBondContact OE2-CE 3.11Å; E764-K766 IonicContact OE2-NZ 3.53Å; E764-K766 PolarHBondContact OE2-NZ 2.53Å; K766-F776 HydrophobicContact CB-CE2 4.28Å; K766-F776 HydrophobicContact CB-CZ 4.28Å; K766-F776 WeakPolarHBondContact O-CE2 3.32Å
767L87.5Confident85.4Confident2 Ų261.8 Ų61.81%0.0133%0.328CS..SBendtrans-120.2117.1176.1-174.466.8000109.3V542 L758 A761 V762 V771 V773 F776V542-L767 HydrophobicContact CG1-CD2 4.17Å; V542-L767 HydrophobicContact CG1-CG 4.16Å; L758-L767 HydrophobicContact CD2-CD2 3.92Å; A761-L767 HydrophobicContact CB-CB 4.19Å; A761-L767 PolarHBondContact O-N 3.39Å; A761-L767 VanDerWaalsContact O-N 3.12Å; V762-L767 HydrophobicContact CG2-CB 4.06Å; V762-L767 HydrophobicContact CG2-CD2 3.98Å; V762-L767 HydrophobicContact CG2-CG 4.25Å; L767-V771 HydrophobicContact CD1-CB 4.14Å; L767-V771 HydrophobicContact CD1-CG1 4Å; L767-V773 HydrophobicContact CD1-CG2 4.38Å; L767-F776 HydrophobicContact CB-CE1 4.38Å; L767-F776 HydrophobicContact CB-CZ 4.3Å; L767-F776 HydrophobicContact CD1-CB 4.02Å; L767-F776 HydrophobicContact CD1-CD1 3.89Å; L767-F776 HydrophobicContact CD1-CD2 4.14Å; L767-F776 HydrophobicContact CD1-CE1 4.39Å; L767-F776 HydrophobicContact CD1-CG 3.75Å
768T90.1Very high85.1Confident70 Ų7058 Ų5843%0.42931%0.31SS..  trans-129.4168.2-179.766.90000110.4G770 V771T768-G770 PolarHBondContact O-N 2.93Å; T768-G770 VanDerWaalsContact O-N 3.15Å; T768-V771 WeakPolarHBondContact O-CB 3.31Å; T768-V771 PolarHBondContact O-N 3.25Å
769D86Confident84.8Confident66 Ų6664.1 Ų64.135%0.35334%0.343SS..THydrogen-bonded Turntrans-63.9-21.7-174.4-76-42.1000114.7S541 V542 R559 V771S541-D769 WeakPolarHBondContact CA-OD1 3.49Å; S541-D769 WeakPolarHBondContact CB-OD2 3.41Å; S541-D769 VanDerWaalsContact OG-CG 3.3Å; S541-D769 PolarHBondContact OG-OD1 2.65Å; S541-D769 PolarHBondContact OG-OD2 3.43Å; V542-D769 WeakPolarHBondContact CG2-OD1 3.43Å; V542-D769 PolarHBondContact N-OD1 2.98Å; R559-D769 IonicContact CZ-OD1 2.88Å; R559-D769 IonicContact NE-OD1 2.69Å; R559-D769 PolarHBondContact NH1-O 3.49Å; R559-D769 IonicContact NH1-OD1 2.98Å; R559-D769 PolarHBondContact NH2-O 2.85Å; R559-D769 IonicContact NH2-OD1 2.66Å; R559-D769 PolarHBondContact NH2-OD1 3.06Å; D769-V771 VanDerWaalsContact C-N 3.26Å; D769-V771 PolarHBondContact O-N 2.78Å
770G85.2Confident84.3Confident81 Ų8163.4 Ų63.484%0.83534%0.339SS*.THydrogen-bonded Turntrans-77-4.2172.700000115T768T768-G770 PolarHBondContact O-N 2.93Å; T768-G770 VanDerWaalsContact O-N 3.15Å
771V84.2Confident83.5Confident48 Ų4860.1 Ų60.129%0.29134%0.338SS..SBendtrans-99.9131-176.4-177.70000111R559 L767 T768 D769 V773 F776R559-V771 PolarHBondContact NH1-O 3.02Å; L767-V771 HydrophobicContact CD1-CB 4.14Å; L767-V771 HydrophobicContact CD1-CG1 4Å; T768-V771 WeakPolarHBondContact O-CB 3.31Å; T768-V771 PolarHBondContact O-N 3.25Å; D769-V771 VanDerWaalsContact C-N 3.26Å; D769-V771 PolarHBondContact O-N 2.78Å; V771-V773 PolarHBondContact O-N 2.86Å; V771-V773 VanDerWaalsContact O-N 3.12Å; V771-F776 HydrophobicContact CG1-CB 4Å; V771-F776 HydrophobicContact CG1-CD2 4.3Å
772D81.7Confident82.7Confident81 Ų8163 Ų6343%0.43335%0.348SS..  trans-61.4107.4165.7174.2-14.9000109.4Q774 R775 F776D772-Q774 VanDerWaalsContact C-N 3.32Å; D772-Q774 PolarHBondContact O-N 3.46Å; D772-Q774 PolarHBondContact OD1-N 2.84Å; D772-R775 HydrophobicContact CB-CB 4.11Å; D772-R775 PolarHBondContact O-N 3.24Å; D772-R775 PolarHBondContact OD1-N 3.45Å; D772-R775 WeakPolarHBondContact OD2-CD 3.42Å; D772-R775 VanDerWaalsContact OD2-CG 3.31Å; D772-R775 WeakPolarHBondContact OD2-CG 3.11Å; D772-F776 WeakPolarHBondContact O-CB 3.17Å; D772-F776 PolarHBondContact O-N 3.47Å
773V82.6Confident82.1Confident4 Ų462.8 Ų62.82%0.02435%0.347CS..Hα-helixtrans-63.6-38.7-176.4-179.40000111.4V542 F561 L767 V771 F776 I777V542-V773 HydrophobicContact CG1-CG2 4.04Å; F561-V773 HydrophobicContact CD1-CG1 3.48Å; F561-V773 VanDerWaalsContact CD1-CG1 3.48Å; F561-V773 HydrophobicContact CE1-CG1 3.87Å; F561-V773 HydrophobicContact CE1-CG2 4.23Å; F561-V773 HydrophobicContact CG-CG1 4.32Å; L767-V773 HydrophobicContact CD1-CG2 4.38Å; V771-V773 PolarHBondContact O-N 2.86Å; V771-V773 VanDerWaalsContact O-N 3.12Å; V773-F776 PolarHBondContact O-N 2.93Å; V773-I777 HydrophobicContact CG1-CD1 3.95Å; V773-I777 VanDerWaalsContact O-CG1 3.31Å; V773-I777 WeakPolarHBondContact O-CG1 3.48Å; V773-I777 PolarHBondContact O-N 2.87Å
774Q75.5Confident81.4Confident16 Ų1656.7 Ų56.78%0.07532%0.315CS..Hα-helixtrans-70.8-42.8-176.7-167.3172.30.200110.2Y500 T563 D772 I777 L778Y500-Q774 PolarHBondContact OH-NE2 2.71Å; T563-Q774 PolarHBondContact OG1-NE2 2.72Å; T563-Q774 VanDerWaalsContact OG1-NE2 3.14Å; D772-Q774 VanDerWaalsContact C-N 3.32Å; D772-Q774 PolarHBondContact O-N 3.46Å; D772-Q774 PolarHBondContact OD1-N 2.84Å; Q774-I777 PolarHBondContact O-N 2.85Å; Q774-L778 HydrophobicContact CG-CD1 4.02Å; Q774-L778 WeakPolarHBondContact O-CB 3.45Å; Q774-L778 VanDerWaalsContact O-CG 3.29Å; Q774-L778 WeakPolarHBondContact O-CG 3.39Å; Q774-L778 PolarHBondContact O-N 3.31Å
775R79.2Confident80.7Confident144 Ų14453.9 Ų53.954%0.54331%0.306SS..Hα-helixtrans-64.7-38.4169.1-86.1-176.4163.3134.5-5.4113D772 I777 L778 N779D772-R775 HydrophobicContact CB-CB 4.11Å; D772-R775 PolarHBondContact O-N 3.24Å; D772-R775 PolarHBondContact OD1-N 3.45Å; D772-R775 WeakPolarHBondContact OD2-CD 3.42Å; D772-R775 VanDerWaalsContact OD2-CG 3.31Å; D772-R775 WeakPolarHBondContact OD2-CG 3.11Å; R775-I777 VanDerWaalsContact C-N 3.31Å; R775-I777 PolarHBondContact O-N 2.82Å; R775-L778 PolarHBondContact O-N 3.36Å; R775-N779 VanDerWaalsContact O-CB 3.23Å; R775-N779 WeakPolarHBondContact O-CB 3.16Å; R775-N779 PolarHBondContact O-N 3.44Å; R775-N779 PolarHBondContact O-ND2 3.28Å
776F84.3Confident80.4Confident52 Ų5252.6 Ų52.623%0.22829%0.286CS..Hα-helixtrans-59.9-42.7176.7177.6-92000111.9A761 K766 L767 V771 D772 V773A761-F776 HydrophobicContact CB-CE1 4.01Å; A761-F776 HydrophobicContact CB-CZ 3.9Å; K766-F776 HydrophobicContact CB-CE2 4.28Å; K766-F776 HydrophobicContact CB-CZ 4.28Å; K766-F776 WeakPolarHBondContact O-CE2 3.32Å; L767-F776 HydrophobicContact CB-CE1 4.38Å; L767-F776 HydrophobicContact CB-CZ 4.3Å; L767-F776 HydrophobicContact CD1-CB 4.02Å; L767-F776 HydrophobicContact CD1-CD1 3.89Å; L767-F776 HydrophobicContact CD1-CD2 4.14Å; L767-F776 HydrophobicContact CD1-CE1 4.39Å; L767-F776 HydrophobicContact CD1-CG 3.75Å; V771-F776 HydrophobicContact CG1-CB 4Å; V771-F776 HydrophobicContact CG1-CD2 4.3Å; D772-F776 WeakPolarHBondContact O-CB 3.17Å; D772-F776 PolarHBondContact O-N 3.47Å; V773-F776 PolarHBondContact O-N 2.93Å
777I79Confident80.1Confident5 Ų546.9 Ų46.93%0.02626%0.262CS..Hα-helixtrans-67.6-45.5176.4-66.9167.2000110.8F561 N729 L758 V773 Q774 R775 N779 K780F561-I777 WeakPolarHBondContact O-CD1 3.37Å; N729-I777 HydrophobicContact CB-CG2 3.94Å; L758-I777 HydrophobicContact CD1-CD1 4.33Å; L758-I777 HydrophobicContact CD2-CD1 4.12Å; L758-I777 HydrophobicContact CD2-CG1 4.05Å; V773-I777 HydrophobicContact CG1-CD1 3.95Å; V773-I777 VanDerWaalsContact O-CG1 3.31Å; V773-I777 WeakPolarHBondContact O-CG1 3.48Å; V773-I777 PolarHBondContact O-N 2.87Å; Q774-I777 PolarHBondContact O-N 2.85Å; R775-I777 VanDerWaalsContact C-N 3.31Å; R775-I777 PolarHBondContact O-N 2.82Å; I777-N779 VanDerWaalsContact C-N 3.32Å; I777-N779 PolarHBondContact O-N 2.68Å; I777-K780 VanDerWaalsContact O-CB 3.31Å; I777-K780 WeakPolarHBondContact O-CB 3.4Å; I777-K780 WeakPolarHBondContact O-CG 3.18Å; I777-K780 PolarHBondContact O-N 3.27Å
778L74.9Confident79.9Confident8 Ų847.2 Ų47.24%0.04226%0.263CS..Hα-helixtrans-74-18.8-177.3-66168.7000113.9Y500 T501 Q774 R775 K780 V783Y500-L778 HydrophobicContact CD1-CD2 4.11Å; Y500-L778 HydrophobicContact CE1-CD1 4.06Å; Y500-L778 HydrophobicContact CE1-CD2 3.59Å; Y500-L778 HydrophobicContact CE1-CG 4.45Å; Y500-L778 HydrophobicContact CE2-CD1 4.02Å; T501-L778 HydrophobicContact CG2-CB 3.84Å; T501-L778 HydrophobicContact CG2-CD1 3.49Å; T501-L778 VanDerWaalsContact CG2-CD1 3.49Å; T501-L778 HydrophobicContact CG2-CG 4.26Å; Q774-L778 HydrophobicContact CG-CD1 4.02Å; Q774-L778 WeakPolarHBondContact O-CB 3.45Å; Q774-L778 VanDerWaalsContact O-CG 3.29Å; Q774-L778 WeakPolarHBondContact O-CG 3.39Å; Q774-L778 PolarHBondContact O-N 3.31Å; R775-L778 PolarHBondContact O-N 3.36Å; L778-K780 VanDerWaalsContact C-N 3.28Å; L778-K780 PolarHBondContact O-N 3.15Å; L778-V783 HydrophobicContact CD2-CG1 4.02Å; L778-V783 VanDerWaalsContact O-CB 3.28Å; L778-V783 WeakPolarHBondContact O-CB 3.21Å; L778-V783 WeakPolarHBondContact O-CG1 3.29Å
779N79.8Confident79.3Confident129 Ų12947.1 Ų47.169%0.6926%0.264SS*.THydrogen-bonded Turntrans-80.6-0.4171-74.2-26.5000113.7R775 I777R775-N779 VanDerWaalsContact O-CB 3.23Å; R775-N779 WeakPolarHBondContact O-CB 3.16Å; R775-N779 PolarHBondContact O-N 3.44Å; R775-N779 PolarHBondContact O-ND2 3.28Å; I777-N779 VanDerWaalsContact C-N 3.32Å; I777-N779 PolarHBondContact O-N 2.68Å
780K78Confident79Confident35 Ų3546.8 Ų46.815%0.15226%0.259CS..SBendtrans-61.9145.9175.1-76.8-179.4177.7179.60111E757 I777 L778 F782 V783E757-K780 IonicContact OE2-NZ 2.8Å; E757-K780 PolarHBondContact OE2-NZ 2.74Å; I777-K780 VanDerWaalsContact O-CB 3.31Å; I777-K780 WeakPolarHBondContact O-CB 3.4Å; I777-K780 WeakPolarHBondContact O-CG 3.18Å; I777-K780 PolarHBondContact O-N 3.27Å; L778-K780 VanDerWaalsContact C-N 3.28Å; L778-K780 PolarHBondContact O-N 3.15Å; K780-F782 HydrophobicContact CB-CD2 4.29Å; K780-F782 PolarHBondContact O-N 3.09Å; K780-F782 VanDerWaalsContact O-N 3.11Å; K780-V783 HydrophobicContact CB-CG2 3.95Å; K780-V783 WeakPolarHBondContact O-CB 3.45Å; K780-V783 WeakPolarHBondContact O-CG2 3.41Å; K780-V783 PolarHBondContact O-N 3.13Å
781P70Confident78.7Confident83 Ų8343.1 Ų43.154%0.53922%0.221SC..THydrogen-bonded Turntrans-61.3-28.9-173.223.8-34.3000113.8V783 K1014P781-V783 PolarHBondContact O-N 2.93Å; P781-K1014 WeakPolarHBondContact O-CD 3.3Å; P781-K1014 PolarHBondContact O-NZ 2.85Å
782F72Confident78.3Confident70 Ų7043.1 Ų43.131%0.30722%0.219SC..THydrogen-bonded Turntrans-75.5-7.4180-30.7-71.4000114.1F496 A497 K780F496-F782 WeakPolarHBondContact CA-O 3.46Å; F496-F782 HydrophobicContact CD1-CB 4.47Å; A497-F782 PolarHBondContact N-O 3.31Å; A497-F782 VanDerWaalsContact N-O 3.09Å; K780-F782 HydrophobicContact CB-CD2 4.29Å; K780-F782 PolarHBondContact O-N 3.09Å; K780-F782 VanDerWaalsContact O-N 3.11Å
783V76.1Confident77.6Confident8 Ų840.7 Ų40.75%0.04821%0.21CC..EExtended strand (participates in β ladder)trans-86.5136.4176.4-166.30000108.7A497 D499 L778 K780 P781 K1014A497-V783 HydrophobicContact CB-CB 4.38Å; A497-V783 HydrophobicContact CB-CG1 4.17Å; A497-V783 HydrophobicContact CB-CG2 4.07Å; A497-V783 CarbonylContact O-C 3.6Å; A497-V783 WeakPolarHBondContact O-CA 3.18Å; D499-V783 HydrophobicContact CB-CG1 3.91Å; L778-V783 HydrophobicContact CD2-CG1 4.02Å; L778-V783 VanDerWaalsContact O-CB 3.28Å; L778-V783 WeakPolarHBondContact O-CB 3.21Å; L778-V783 WeakPolarHBondContact O-CG1 3.29Å; K780-V783 HydrophobicContact CB-CG2 3.95Å; K780-V783 WeakPolarHBondContact O-CB 3.45Å; K780-V783 WeakPolarHBondContact O-CG2 3.41Å; K780-V783 PolarHBondContact O-N 3.13Å; P781-V783 PolarHBondContact O-N 2.93Å; V783-K1014 PolarHBondContact O-NZ 3.44Å
784L76.1Confident76.3Confident3 Ų342.5 Ų42.52%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-144.6139.8-168.2-85.1167.3000111.2F496 A497 V498 D499 K786 L787 L1011 K1014F496-L784 HydrophobicContact CD1-CD1 3.87Å; A497-L784 PolarHBondContact O-N 3.47Å; V498-L784 CarbonylContact C-O 3.56Å; V498-L784 WeakPolarHBondContact CA-O 3.3Å; D499-L784 PolarHBondContact N-O 2.91Å; L784-K786 PolarHBondContact O-N 3.17Å; L784-L787 HydrophobicContact CB-CD2 4.19Å; L784-L787 HydrophobicContact CD1-CD2 4.43Å; L784-L1011 HydrophobicContact CD1-CB 4.15Å; L784-L1011 HydrophobicContact CD1-CD1 3.44Å; L784-L1011 VanDerWaalsContact CD1-CD1 3.44Å; L784-L1011 HydrophobicContact CD1-CG 4.36Å; L784-K1014 HydrophobicContact CD1-CB 4.35Å; L784-K1014 HydrophobicContact CD1-CD 4.45Å; L784-K1014 HydrophobicContact CD2-CB 4.36Å; L784-K1014 HydrophobicContact CD2-CD 3.55Å; L784-K1014 HydrophobicContact CD2-CG 3.96Å; L784-K1014 HydrophobicContact CG-CD 3.99Å
785P76.3Confident75.4Confident45 Ų4545.3 Ų45.329%0.29224%0.237SC..SBendtrans-63-25178.727.2-35.9000113.1E1007P785-E1007 HydrophobicContact CG-CB 4.22Å; P785-E1007 HydrophobicContact CG-CG 3.86Å
786K82.4Confident74.6Confident24 Ų2440 Ų4010%0.10422%0.219CC..  trans-141.3133.9-179.4-170.2169.9-172.9-158.70110.7S717 L784 S1005 E1007 D1008S717-K786 WeakPolarHBondContact O-CB 3.28Å; S717-K786 WeakPolarHBondContact O-CG 3.38Å; L784-K786 PolarHBondContact O-N 3.17Å; K786-S1005 PolarHBondContact NZ-OG 3.43Å; K786-E1007 HydrophobicContact CB-CB 3.93Å; K786-E1007 HydrophobicContact CD-CB 4.38Å; K786-D1008 WeakPolarHBondContact CD-OD1 3.19Å; K786-D1008 WeakPolarHBondContact CE-OD1 3.41Å; K786-D1008 IonicContact NZ-OD1 3.59Å; K786-D1008 PolarHBondContact NZ-OD1 3.21Å; K786-D1008 IonicContact NZ-OD2 3.47Å; K786-D1008 PolarHBondContact NZ-OD2 3.09Å
787L82.1Confident74.1Confident11 Ų1145.7 Ų45.76%0.05824%0.244CC..  trans-102.6154.9167.6-58.3-178.1000109.3F496 V498 S718 G719 P732 L784 L792F496-L787 HydrophobicContact CB-CD2 3.66Å; V498-L787 HydrophobicContact CG2-CD1 3.62Å; V498-L787 HydrophobicContact CG2-CG 3.96Å; S718-L787 PolarHBondContact O-N 3.11Å; G719-L787 WeakPolarHBondContact CA-O 3.44Å; P732-L787 HydrophobicContact CG-CD1 4.01Å; L784-L787 HydrophobicContact CB-CD2 4.19Å; L784-L787 HydrophobicContact CD1-CD2 4.43Å; L787-L792 HydrophobicContact CB-CD1 4.42Å; L787-L792 HydrophobicContact CD2-CD1 4.36Å
788N83Confident74.4Confident8 Ų846.5 Ų46.54%0.04325%0.251CS..  trans-138.2110.7175.9-170.6-38.2000108.9K790 V791 L792 D1002 L1011N788-K790 PolarHBondContact O-N 3.29Å; N788-K790 VanDerWaalsContact O-N 3.14Å; N788-K790 WeakPolarHBondContact OD1-CB 3.23Å; N788-K790 PolarHBondContact OD1-N 2.99Å; N788-V791 HydrophobicContact CB-CB 4.47Å; N788-V791 HydrophobicContact CB-CG2 4.03Å; N788-V791 PolarHBondContact O-N 3.47Å; N788-V791 VanDerWaalsContact O-N 3.09Å; N788-L792 PolarHBondContact O-N 2.94Å; N788-D1002 PolarHBondContact ND2-O 3.12Å; N788-L1011 HydrophobicContact CB-CD2 3.32Å
789P76.3Confident75Confident68 Ų6846.4 Ų46.444%0.44225%0.251SS..Hα-helixtrans-64.7-20-174.725.4-33.7000113.1A793P789-A793 WeakPolarHBondContact O-CB 3.13Å; P789-A793 PolarHBondContact O-N 3.2Å; P789-A793 VanDerWaalsContact O-N 3.07Å
790K79.7Confident75.2Confident59 Ų5942.1 Ų42.126%0.25723%0.227SC..Hα-helixtrans-71.6-34.3175.3-60.8-171.8176.8-172.40112.3N788 N796 L995 D997 D1002N788-K790 PolarHBondContact O-N 3.29Å; N788-K790 VanDerWaalsContact O-N 3.14Å; N788-K790 WeakPolarHBondContact OD1-CB 3.23Å; N788-K790 PolarHBondContact OD1-N 2.99Å; K790-N796 PolarHBondContact O-ND2 2.88Å; K790-L995 WeakPolarHBondContact O-CD2 3.43Å; K790-D997 WeakPolarHBondContact CE-O 3.49Å; K790-D997 PolarHBondContact NZ-O 3.12Å; K790-D1002 HydrophobicContact CD-CB 4.34Å; K790-D1002 WeakPolarHBondContact CE-OD1 3.25Å; K790-D1002 IonicContact NZ-OD1 3.53Å; K790-D1002 PolarHBondContact NZ-OD1 2.87Å; K790-D1002 IonicContact NZ-OD2 3.42Å; K790-D1002 PolarHBondContact NZ-OD2 3.35Å
791V80Confident75.6Confident5 Ų540.5 Ų40.53%0.0322%0.22CC..Hα-helixtrans-74.9-41.1175.5-177.40000110.8N788 A793 L995 F1003 L1011 I1012 Y1015N788-V791 HydrophobicContact CB-CB 4.47Å; N788-V791 HydrophobicContact CB-CG2 4.03Å; N788-V791 PolarHBondContact O-N 3.47Å; N788-V791 VanDerWaalsContact O-N 3.09Å; V791-A793 VanDerWaalsContact C-N 3.33Å; V791-A793 PolarHBondContact O-N 2.88Å; V791-L995 HydrophobicContact CG2-CD1 4.48Å; V791-F1003 HydrophobicContact CG2-CE1 3.59Å; V791-F1003 HydrophobicContact CG2-CZ 3.66Å; V791-L1011 HydrophobicContact CB-CD2 4.33Å; V791-L1011 HydrophobicContact CG1-CG 4.41Å; V791-L1011 HydrophobicContact CG2-CD2 4.33Å; V791-I1012 HydrophobicContact CG1-CG1 4.1Å; V791-I1012 HydrophobicContact CG2-CD1 4.48Å; V791-I1012 HydrophobicContact CG2-CG1 3.93Å; V791-Y1015 HydrophobicContact CG1-CD1 4.04Å; V791-Y1015 HydrophobicContact CG1-CG 4.12Å
792L75.6Confident76.1Confident48 Ų4836.6 Ų36.625%0.25120%0.195SC..Hα-helixtrans-82.5-5.4-176.1-59.7-179.7000114.1F496 L787 N788 L1011 Y1015F496-L792 HydrophobicContact CB-CD1 4.35Å; F496-L792 HydrophobicContact CD2-CD1 4.3Å; F496-L792 HydrophobicContact CD2-CD2 3.44Å; F496-L792 VanDerWaalsContact CD2-CD2 3.44Å; F496-L792 HydrophobicContact CE2-CD2 3.68Å; F496-L792 HydrophobicContact CG-CD2 4.15Å; L787-L792 HydrophobicContact CB-CD1 4.42Å; L787-L792 HydrophobicContact CD2-CD1 4.36Å; N788-L792 PolarHBondContact O-N 2.94Å; L792-L1011 HydrophobicContact CD2-CD1 4.18Å; L792-Y1015 HydrophobicContact CD2-CD2 3.71Å; L792-Y1015 HydrophobicContact CD2-CE2 4.17Å
793A67Low76.3Confident30 Ų3034.6 Ų34.625%0.24819%0.188CC..  trans-66.7136.2175.300000112P789 V791 N796P789-A793 WeakPolarHBondContact O-CB 3.13Å; P789-A793 PolarHBondContact O-N 3.2Å; P789-A793 VanDerWaalsContact O-N 3.07Å; V791-A793 VanDerWaalsContact C-N 3.33Å; V791-A793 PolarHBondContact O-N 2.88Å; A793-N796 PolarHBondContact O-ND2 3.23Å
794T55Low76Confident42 Ų4235.1 Ų35.126%0.25819%0.191SC..THydrogen-bonded Turntrans-81-23.6-176.138.40000113.9N796 N1309T794-N796 PolarHBondContact O-N 3.44Å; T794-N1309 WeakPolarHBondContact CG2-OD1 3.47Å; T794-N1309 PolarHBondContact OG1-OD1 3.05Å
795D57.1Low74.9Confident74 Ų7437.5 Ų37.540%0.39620%0.203SC..THydrogen-bonded Turntrans-70.2-6.9-176.5-65.8-71.4000116.2K797 P1308D795-K797 PolarHBondContact O-N 3.23Å; D795-P1308 WeakPolarHBondContact OD1-CD 3.25Å
796N62.4Low73.5Confident34 Ų3437.4 Ų37.418%0.18221%0.21CC..  trans-68.2107.5-170.5-68.4-46.3000111.7K790 A793 T794 I993 L995K790-N796 PolarHBondContact O-ND2 2.88Å; A793-N796 PolarHBondContact O-ND2 3.23Å; T794-N796 PolarHBondContact O-N 3.44Å; N796-I993 HydrophobicContact CB-CG2 3.34Å; N796-L995 HydrophobicContact CB-CD2 4.09Å; N796-L995 VanDerWaalsContact ND2-CD2 3.34Å; N796-L995 WeakPolarHBondContact ND2-CD2 3.48Å; N796-L995 VanDerWaalsContact OD1-CD2 3.27Å; N796-L995 WeakPolarHBondContact OD1-CD2 3.48Å
797K73.8Confident71.8Confident170 Ų17046.8 Ų46.874%0.73924%0.244SC*.PPolyproline II helixtrans-63.4134.5-175.5-63.9-175.3179.1-176.10111.7D795 I994D795-K797 PolarHBondContact O-N 3.23Å; K797-I994 WeakPolarHBondContact O-CB 3.35Å; K797-I994 WeakPolarHBondContact O-CG1 3.31Å; K797-I994 PolarHBondContact O-N 2.93Å
798A84.6Confident70Confident22 Ų2248.2 Ų48.218%0.18226%0.258CS..BIsolated β-bridgetrans-96.6149.1178.800000113.4G992 S1049 K1052 A1053A798-G992 CarbonylContact C-O 3.58Å; A798-G992 WeakPolarHBondContact CA-O 3.33Å; A798-S1049 WeakPolarHBondContact CB-O 3.34Å; A798-K1052 HydrophobicContact CB-CB 4.28Å; A798-K1052 HydrophobicContact CB-CG 4.5Å; A798-A1053 HydrophobicContact CB-CB 4.11Å
799L88Confident68.4Low7 Ų749 Ų494%0.03726%0.26CS..PPolyproline II helixtrans-76.6140.8173.2-74.6172.1000112.1L801 W865 L979 I989 G992 I994 S1049L799-L801 HydrophobicContact CB-CD1 4.46Å; L799-L801 HydrophobicContact CB-CD2 3.77Å; L799-L801 HydrophobicContact CB-CG 3.94Å; L799-L801 HydrophobicContact CD1-CD2 4.23Å; L799-W865 HydrophobicContact CD1-CE3 4.44Å; L799-W865 HydrophobicContact CD1-CZ3 3.8Å; L799-L979 HydrophobicContact CD1-CD2 4Å; L799-L979 HydrophobicContact CD2-CD2 3.99Å; L799-L979 HydrophobicContact CG-CD2 4.33Å; L799-I989 HydrophobicContact CD1-CG2 3.99Å; L799-G992 PolarHBondContact N-O 2.91Å; L799-I994 HydrophobicContact CD2-CD1 3.93Å; L799-I994 HydrophobicContact CD2-CG1 4.48Å; L799-I994 HydrophobicContact CG-CD1 4.03Å; L799-I994 HydrophobicContact CG-CG1 4.07Å; L799-S1049 VanDerWaalsContact O-CB 3.26Å; L799-S1049 WeakPolarHBondContact O-CB 3.2Å; L799-S1049 PolarHBondContact O-OG 2.83Å
800I84.3Confident66.9Low38 Ų3848.2 Ų48.220%0.19525%0.254CS..  trans-90106.1171-50.2-50.6000108.6T802 N841 A1053 Y1054I800-T802 HydrophobicContact CG2-CG2 3.75Å; I800-N841 PolarHBondContact O-ND2 3.1Å; I800-A1053 HydrophobicContact CD1-CB 3.53Å; I800-Y1054 HydrophobicContact CD1-CD2 4.43Å; I800-Y1054 HydrophobicContact CD1-CE1 4.4Å; I800-Y1054 HydrophobicContact CD1-CE2 3.53Å; I800-Y1054 WeakPolarHBondContact CD1-OH 3Å; I800-Y1054 HydrophobicContact CG1-CE2 4.39Å
801L86.6Confident65Low1 Ų149.3 Ų49.31%0.00528%0.283CS..  trans-111.333.2-172.5-55.4179.1000112.1L799 N841 V845 M1045 R1046L799-L801 HydrophobicContact CB-CD1 4.46Å; L799-L801 HydrophobicContact CB-CD2 3.77Å; L799-L801 HydrophobicContact CB-CG 3.94Å; L799-L801 HydrophobicContact CD1-CD2 4.23Å; L801-N841 HydrophobicContact CD2-CB 3.85Å; L801-V845 HydrophobicContact CD2-CG2 4.18Å; L801-M1045 HydrophobicContact CD1-CE 4.21Å; L801-M1045 HydrophobicContact CD1-CG 3.79Å; L801-M1045 HydrophobicContact CD1-SD 4.16Å; L801-R1046 HydrophobicContact CB-CB 4.24Å; L801-R1046 HydrophobicContact CB-CG 3.79Å; L801-R1046 WeakPolarHBondContact O-CG 3.23Å; L801-R1046 PolarHBondContact O-NH1 3.4Å
802T79.9Confident63.1Low2 Ų251.5 Ų51.51%0.01229%0.294CS..  trans-85.2-25.6-165.265.40000114.5G452 D455 I800 V804 L1050G452-T802 VanDerWaalsContact CA-CG2 3.47Å; D455-T802 CarbonylContact C-O 3.06Å; D455-T802 WeakPolarHBondContact CB-O 3.26Å; D455-T802 WeakPolarHBondContact OD2-CB 3.46Å; D455-T802 PolarHBondContact OD2-OG1 3.01Å; I800-T802 HydrophobicContact CG2-CG2 3.75Å; T802-V804 PolarHBondContact O-N 2.9Å; T802-V804 VanDerWaalsContact O-N 3.12Å; T802-L1050 HydrophobicContact CG2-CD1 3.89Å; T802-L1050 HydrophobicContact CG2-CD2 4.34Å
803D76.9Confident61.1Low28 Ų2852.4 Ų52.415%0.1531%0.308CS..  trans-62.8114.5175.5172.720.2000110.5Y824 K838 Q839 Q842 R1046D803-Y824 VanDerWaalsContact OD2-CE2 3.27Å; D803-Y824 WeakPolarHBondContact OD2-CE2 3.37Å; D803-Y824 PolarHBondContact OD2-OH 3.41Å; D803-K838 HydrophobicContact CB-CB 3.9Å; D803-Q839 WeakPolarHBondContact OD2-CA 3.36Å; D803-Q842 HydrophobicContact CB-CB 4.14Å; D803-Q842 WeakPolarHBondContact O-CG 3.47Å; D803-Q842 PolarHBondContact O-OE1 2.83Å; D803-Q842 VanDerWaalsContact O-OE1 3.07Å; D803-R1046 PolarHBondContact O-NH1 3.43Å
804V69.4Low59.7Low18 Ų1863.2 Ų63.211%0.10934%0.342CS..  trans-128.391.5178.2177.30000108M456 T802 G806 Y809M456-V804 HydrophobicContact CB-CG2 4.45Å; M456-V804 HydrophobicContact CG-CG2 4.19Å; T802-V804 PolarHBondContact O-N 2.9Å; T802-V804 VanDerWaalsContact O-N 3.12Å; V804-G806 PolarHBondContact O-N 3.18Å; V804-Y809 HydrophobicContact CG1-CD2 3.38Å; V804-Y809 HydrophobicContact CG1-CE2 3.53Å; V804-Y809 HydrophobicContact CG1-CG 4.4Å
805M53.4Low58.8Low54 Ų5465.1 Ų65.127%0.26636%0.358SS..  trans-51.6104.2172.4-87.6-77.8-158.800112S822 Y824M805-S822 WeakPolarHBondContact CG-O 3.38Å; M805-S822 PolarHBondContact SD-OG 2.94Å; M805-Y824 HydrophobicContact CE-CD1 4.15Å; M805-Y824 HydrophobicContact CE-CE1 3.48Å; M805-Y824 VanDerWaalsContact CE-CE1 3.48Å; M805-Y824 HydrophobicContact CE-CE2 4.06Å; M805-Y824 VanDerWaalsContact CE-CZ 3.43Å; M805-Y824 HydrophobicContact CG-CD2 4.38Å; M805-Y824 HydrophobicContact CG-CE2 3.73Å
806G46.9Very low57.7Low43 Ų4367.8 Ų67.844%0.44338%0.382SS..SBendtrans88.8163.6172.900000115.6V804 A808V804-G806 PolarHBondContact O-N 3.18Å; G806-A808 PolarHBondContact O-N 3.27Å
807R46.7Very low56.4Low220 Ų22074 Ų7483%0.8341%0.41SS*.SBendtrans-73.938.5-175.5-57.2-177.1-175.2175.71.9113.9
808A44Very low54.6Low41 Ų4171.8 Ų71.834%0.33942%0.416SS..  trans-82.4-17-161.700000116G806 V821G806-A808 PolarHBondContact O-N 3.27Å; A808-V821 HydrophobicContact CB-CG2 3.89Å
809Y49.8Very low52.5Low24 Ų2476.5 Ų76.59%0.09444%0.442CS..SBendtrans-104.6-7.6-168.6-72.4-103000114.7V804 R1039 L1043V804-Y809 HydrophobicContact CG1-CD2 3.38Å; V804-Y809 HydrophobicContact CG1-CE2 3.53Å; V804-Y809 HydrophobicContact CG1-CG 4.4Å; Y809-R1039 HydrophobicContact CE1-CB 3.89Å; Y809-R1039 WeakPolarHBondContact CE1-O 3.41Å; Y809-L1043 HydrophobicContact CD1-CB 4.17Å; Y809-L1043 HydrophobicContact CD1-CD1 4.2Å; Y809-L1043 HydrophobicContact CD1-CD2 4.4Å; Y809-L1043 HydrophobicContact CE1-CB 4.46Å
810V44.7Very low50.2Low52 Ų5280.3 Ų80.332%0.31548%0.475SS..  trans-127.894.6-176.9-178.90000109.7I812V810-I812 HydrophobicContact CG1-CB 4.26Å; V810-I812 HydrophobicContact CG1-CD1 3.48Å; V810-I812 VanDerWaalsContact CG1-CD1 3.48Å; V810-I812 HydrophobicContact CG1-CG1 3.71Å; V810-I812 PolarHBondContact O-N 3.2Å
811G38.9Very low48.5Very low83 Ų8381.8 Ų81.886%0.85649%0.485SS*.THydrogen-bonded Turntrans-73.743.2-174.400000115.8
812I39.7Very low46.8Very low51 Ų5184.9 Ų84.926%0.26251%0.507SS..THydrogen-bonded Turntrans-88.8-18.1-177.3-67.8176.2000112.2V472 F473 V476 V810 R814V472-I812 HydrophobicContact CB-CG2 4.35Å; V472-I812 HydrophobicContact CG1-CB 4.36Å; V472-I812 HydrophobicContact CG1-CD1 3.92Å; V472-I812 HydrophobicContact CG1-CG1 3.77Å; V472-I812 HydrophobicContact CG1-CG2 3.83Å; F473-I812 HydrophobicContact CD2-CG2 4.5Å; F473-I812 HydrophobicContact CE1-CG2 4.23Å; F473-I812 HydrophobicContact CE2-CG2 3.75Å; F473-I812 HydrophobicContact CZ-CG2 3.6Å; V476-I812 HydrophobicContact CG2-CD1 3.5Å; V810-I812 HydrophobicContact CG1-CB 4.26Å; V810-I812 HydrophobicContact CG1-CD1 3.48Å; V810-I812 VanDerWaalsContact CG1-CD1 3.48Å; V810-I812 HydrophobicContact CG1-CG1 3.71Å; V810-I812 PolarHBondContact O-N 3.2Å; I812-R814 PolarHBondContact O-N 2.98Å
813A35.3Very low46Very low67 Ų6791 Ų9155%0.55454%0.535SS*.  trans-85.898.2174.400000111.4S815A813-S815 PolarHBondContact O-N 2.64Å
814R35.7Very low45.7Very low257 Ų25791.1 Ų91.197%0.9753%0.534SS*.  trans-70.227169.8-83-175.6169.1172-3.4114I812I812-R814 PolarHBondContact O-N 2.98Å
815S37.5Very low45.9Very low82 Ų8299.1 Ų99.157%0.57357%0.567SS**  trans-95.1116.3175.254.30000109.9A813 Q817A813-S815 PolarHBondContact O-N 2.64Å; S815-Q817 PolarHBondContact O-N 3.23Å
816S33.5Very low47Very low130 Ų13097.4 Ų97.491%0.90956%0.56SS**  trans-73.132.1-172.346.10000115.7
817Q35.4Very low48.4Very low163 Ų16399 Ų9976%0.76257%0.565SS**  trans-100.6110.6170.4-74.5-176.1-18.200110S815 V819S815-Q817 PolarHBondContact O-N 3.23Å; Q817-V819 VanDerWaalsContact C-N 3.29Å; Q817-V819 PolarHBondContact O-N 3.31Å
818S36.8Very low50.2Low124 Ų12490.9 Ų90.987%0.86754%0.539SS*.  trans-68.583.5170.340.50000110.4A820S818-A820 PolarHBondContact O-N 3.28Å
819V39.2Very low52Low121 Ų12189.6 Ų89.673%0.73353%0.527SS*.  trans-59.4106168.2179.90000107.6Q817 V821Q817-V819 VanDerWaalsContact C-N 3.29Å; Q817-V819 PolarHBondContact O-N 3.31Å; V819-V821 PolarHBondContact O-N 3.02Å
820A39Very low53.6Low88 Ų8890.4 Ų90.473%0.72754%0.543SS*.  trans-57.7125.3-175.800000110.3S818 S822S818-A820 PolarHBondContact O-N 3.28Å; A820-S822 PolarHBondContact O-N 2.92Å; A820-S822 VanDerWaalsContact O-N 3.09Å
821V49.1Very low55.5Low69 Ų6991.4 Ų91.442%0.41854%0.544SS..  trans-64.3112.2173.21750000107.5A808 V819 E823A808-V821 HydrophobicContact CB-CG2 3.89Å; V819-V821 PolarHBondContact O-N 3.02Å; V821-E823 VanDerWaalsContact C-N 3.31Å; V821-E823 PolarHBondContact O-N 2.84Å
822S50.6Low57.7Low65 Ų6587.4 Ų87.446%0.45550%0.503SS..  trans-73.386.8177.846.50000110M805 A820M805-S822 WeakPolarHBondContact CG-O 3.38Å; M805-S822 PolarHBondContact SD-OG 2.94Å; A820-S822 PolarHBondContact O-N 2.92Å; A820-S822 VanDerWaalsContact O-N 3.09Å
823E63.5Low59.9Low131 Ų13189.7 Ų89.761%0.61251%0.511SS*.  trans-55.9139.3171.7-61.6180148.900111.3V821 K825V821-E823 VanDerWaalsContact C-N 3.31Å; V821-E823 PolarHBondContact O-N 2.84Å; E823-K825 VanDerWaalsContact C-N 3.34Å; E823-K825 PolarHBondContact O-N 3.07Å
824Y71.7Confident62.1Low30 Ų3094.9 Ų94.912%0.11852%0.521CS..  trans-69.590.3170.9-74-73.3000110.2D803 M805 V826 L835 Q839 Q842 Y843D803-Y824 VanDerWaalsContact OD2-CE2 3.27Å; D803-Y824 WeakPolarHBondContact OD2-CE2 3.37Å; D803-Y824 PolarHBondContact OD2-OH 3.41Å; M805-Y824 HydrophobicContact CE-CD1 4.15Å; M805-Y824 HydrophobicContact CE-CE1 3.48Å; M805-Y824 VanDerWaalsContact CE-CE1 3.48Å; M805-Y824 HydrophobicContact CE-CE2 4.06Å; M805-Y824 VanDerWaalsContact CE-CZ 3.43Å; M805-Y824 HydrophobicContact CG-CD2 4.38Å; M805-Y824 HydrophobicContact CG-CE2 3.73Å; Y824-V826 PolarHBondContact O-N 2.96Å; Y824-L835 HydrophobicContact CD1-CD1 4.21Å; Y824-L835 HydrophobicContact CD1-CD2 3.96Å; Y824-L835 HydrophobicContact CE1-CD2 4.12Å; Y824-L835 HydrophobicContact CG-CD1 4.46Å; Y824-Q839 HydrophobicContact CE1-CB 4.04Å; Y824-Q839 HydrophobicContact CE1-CG 4.24Å; Y824-Q839 HydrophobicContact CE2-CB 4.26Å; Y824-Q839 VanDerWaalsContact OH-CG 3.28Å; Y824-Q839 WeakPolarHBondContact OH-CG 3.42Å; Y824-Q839 PolarHBondContact OH-NE2 3.32Å; Y824-Q842 HydrophobicContact CD2-CB 4.44Å; Y824-Q842 HydrophobicContact CD2-CG 3.95Å; Y824-Q842 HydrophobicContact CE2-CB 4.08Å; Y824-Q842 HydrophobicContact CE2-CG 3.65Å; Y824-Y843 VanDerWaalsContact O-CD2 3.23Å; Y824-Y843 WeakPolarHBondContact O-CD2 3.37Å; Y824-Y843 WeakPolarHBondContact O-CE2 3.29Å
825K71.8Confident64.3Low186 Ų18684.2 Ų84.281%0.80948%0.483SS*.  trans-72.576.4176.4-67.9-173.5179.6-178.80111.5E823E823-K825 VanDerWaalsContact C-N 3.34Å; E823-K825 PolarHBondContact O-N 3.07Å
826V78.3Confident66.2Low19 Ų1986 Ų8612%0.11548%0.482CS..  trans-92.9121.1172.1-178.50000108.9Y824 T828 E831 F832 L835 Y843 I970Y824-V826 PolarHBondContact O-N 2.96Å; V826-T828 WeakPolarHBondContact CG1-O 3.46Å; V826-E831 HydrophobicContact CG1-CB 3.92Å; V826-F832 HydrophobicContact CG1-CB 3.83Å; V826-F832 HydrophobicContact CG1-CD2 4.39Å; V826-L835 HydrophobicContact CG2-CD1 3.58Å; V826-L835 HydrophobicContact CG2-CG 4.43Å; V826-Y843 HydrophobicContact CB-CD2 3.97Å; V826-Y843 HydrophobicContact CB-CE2 3.57Å; V826-Y843 HydrophobicContact CG2-CD2 3.83Å; V826-Y843 HydrophobicContact CG2-CE2 3.99Å; V826-Y843 HydrophobicContact CG2-CG 4.39Å; V826-Y843 PolarHBondContact O-OH 2.84Å; V826-I970 HydrophobicContact CG1-CD1 3.97Å
827S76.2Confident68.4Low77 Ų7786.9 Ų86.954%0.53847%0.466SS..  trans-99.1-29.9176.971.50000112.9E831 D966S827-E831 WeakPolarHBondContact CA-OE2 3.26Å; S827-E831 WeakPolarHBondContact CB-OE2 3.45Å; S827-E831 PolarHBondContact N-OE2 2.84Å; S827-E831 PolarHBondContact OG-OE2 3.34Å; S827-D966 WeakPolarHBondContact O-CB 3.39Å
828T83.1Confident70.5Confident48 Ų4882 Ų8229%0.29444%0.442SS..SBendtrans-129.4158-17665.10000114.9V826 G830 E831 F832 D966V826-T828 WeakPolarHBondContact CG1-O 3.46Å; T828-G830 PolarHBondContact O-N 2.67Å; T828-G830 VanDerWaalsContact O-N 3.15Å; T828-G830 PolarHBondContact OG1-N 2.71Å; T828-E831 PolarHBondContact N-OE2 2.86Å; T828-E831 PolarHBondContact O-N 3.1Å; T828-E831 VanDerWaalsContact O-N 3.08Å; T828-E831 PolarHBondContact OG1-N 3.23Å; T828-E831 PolarHBondContact OG1-OE2 3.06Å; T828-F832 PolarHBondContact O-N 3.48Å; T828-D966 VanDerWaalsContact CA-OD1 3.24Å; T828-D966 WeakPolarHBondContact CA-OD1 3.19Å
829V82.9Confident72.7Confident14 Ų1478.6 Ų78.69%0.08541%0.413CS..Hα-helixtrans-56.5-28.1168.5-171.60000112.3K833 D966 A969 I970V829-K833 HydrophobicContact CG1-CD 4.4Å; V829-K833 WeakPolarHBondContact O-CD 3.32Å; V829-K833 VanDerWaalsContact O-CG 3.31Å; V829-K833 WeakPolarHBondContact O-CG 3.32Å; V829-K833 PolarHBondContact O-N 3.35Å; V829-D966 PolarHBondContact N-OD1 3.48Å; V829-A969 HydrophobicContact CG2-CB 3.39Å; V829-I970 HydrophobicContact CB-CG1 4.42Å; V829-I970 HydrophobicContact CG2-CG1 3.95Å
830G83.4Confident75.1Confident42 Ų4273.5 Ų73.543%0.43338%0.381SS..Hα-helixtrans-68-36.5177.200000112.9T828T828-G830 PolarHBondContact O-N 2.67Å; T828-G830 VanDerWaalsContact O-N 3.15Å; T828-G830 PolarHBondContact OG1-N 2.71Å
831E83.9Confident77.5Confident72 Ų7269.6 Ų69.634%0.33635%0.348SS..Hα-helixtrans-76.2-43.3174.2-69.9163.2160.700111.4V826 S827 T828 K833 K834V826-E831 HydrophobicContact CG1-CB 3.92Å; S827-E831 WeakPolarHBondContact CA-OE2 3.26Å; S827-E831 WeakPolarHBondContact CB-OE2 3.45Å; S827-E831 PolarHBondContact N-OE2 2.84Å; S827-E831 PolarHBondContact OG-OE2 3.34Å; T828-E831 PolarHBondContact N-OE2 2.86Å; T828-E831 PolarHBondContact O-N 3.1Å; T828-E831 VanDerWaalsContact O-N 3.08Å; T828-E831 PolarHBondContact OG1-N 3.23Å; T828-E831 PolarHBondContact OG1-OE2 3.06Å; E831-K833 PolarHBondContact O-N 3.1Å; E831-K833 VanDerWaalsContact O-N 3.12Å; E831-K834 WeakPolarHBondContact O-CB 3.47Å; E831-K834 PolarHBondContact O-N 3.2Å
832F86Confident79.3Confident0 Ų066.5 Ų66.50%033%0.329CS..Hα-helixtrans-54.7-35.1177.7-169.8-103.7000112.7V826 T828 K834 L835 Q840 Y843 I844 I970 Y973 Y974 I978V826-F832 HydrophobicContact CG1-CB 3.83Å; V826-F832 HydrophobicContact CG1-CD2 4.39Å; T828-F832 PolarHBondContact O-N 3.48Å; F832-K834 VanDerWaalsContact C-N 3.31Å; F832-K834 PolarHBondContact O-N 3.3Å; F832-L835 PolarHBondContact O-N 3.29Å; F832-Q840 HydrophobicContact CD1-CG 4.33Å; F832-Q840 HydrophobicContact CD2-CG 4.5Å; F832-Q840 HydrophobicContact CE1-CB 4.08Å; F832-Q840 HydrophobicContact CE1-CG 3.88Å; F832-Q840 HydrophobicContact CE2-CB 4.01Å; F832-Q840 HydrophobicContact CE2-CG 4.04Å; F832-Q840 HydrophobicContact CZ-CB 3.55Å; F832-Q840 HydrophobicContact CZ-CG 3.73Å; F832-Q840 PolarHBondContact O-NE2 3.35Å; F832-Y843 AromaticContact CD2-CD1 3.79Å; F832-Y843 HydrophobicContact CD2-CD1 3.79Å; F832-Y843 HydrophobicContact CD2-CE1 4.24Å; F832-Y843 HydrophobicContact CD2-CG 4.28Å; F832-Y843 AromaticContact CE2-CD1 3.5Å; F832-Y843 HydrophobicContact CE2-CD1 3.5Å; F832-Y843 HydrophobicContact CE2-CE1 4.28Å; F832-Y843 HydrophobicContact CE2-CG 4.06Å; F832-I844 HydrophobicContact CZ-CD1 4.43Å; F832-I844 HydrophobicContact CZ-CG1 4.36Å; F832-I970 HydrophobicContact CB-CD1 4.23Å; F832-I970 HydrophobicContact CB-CG1 4Å; F832-I970 HydrophobicContact CD1-CG2 3.98Å; F832-I970 HydrophobicContact CD2-CG2 3.77Å; F832-I970 HydrophobicContact CE1-CG2 4.09Å; F832-I970 HydrophobicContact CE2-CG2 3.9Å; F832-I970 HydrophobicContact CG-CG1 4.2Å; F832-I970 HydrophobicContact CG-CG2 3.8Å; F832-I970 HydrophobicContact CZ-CG2 4.04Å; F832-Y973 AromaticContact CD1-CD1 3.67Å; F832-Y973 HydrophobicContact CD1-CD1 3.67Å; F832-Y973 AromaticContact CD1-CE1 4Å; F832-Y973 HydrophobicContact CD1-CE1 4Å; F832-Y973 AromaticContact CE1-CD1 3.8Å; F832-Y973 HydrophobicContact CE1-CD1 3.8Å; F832-Y973 HydrophobicContact CE1-CE1 4.13Å; F832-Y974 HydrophobicContact CE1-CD2 4.35Å; F832-Y974 AromaticContact CZ-CD2 3.96Å; F832-Y974 HydrophobicContact CZ-CD2 3.96Å; F832-I978 HydrophobicContact CE1-CD1 4.13Å; F832-I978 HydrophobicContact CZ-CD1 4.46Å
833K84.1Confident81.1Confident99 Ų9964.4 Ų64.443%0.4331%0.311SS..THydrogen-bonded Turntrans-71.2-17.7177-77.5169.9177.8171.50115.2V829 E831 Y973V829-K833 HydrophobicContact CG1-CD 4.4Å; V829-K833 WeakPolarHBondContact O-CD 3.32Å; V829-K833 VanDerWaalsContact O-CG 3.31Å; V829-K833 WeakPolarHBondContact O-CG 3.32Å; V829-K833 PolarHBondContact O-N 3.35Å; E831-K833 PolarHBondContact O-N 3.1Å; E831-K833 VanDerWaalsContact O-N 3.12Å; K833-Y973 HydrophobicContact CD-CE2 4.32Å; K833-Y973 VanDerWaalsContact CE-CE2 3.42Å; K833-Y973 HydrophobicContact CG-CE1 3.94Å; K833-Y973 HydrophobicContact CG-CE2 4.06Å
834K82.8Confident82.4Confident176 Ų17658.1 Ų58.177%0.76528%0.282SS*.THydrogen-bonded Turntrans-83.5-24.2176.3-62.5174.8-176.4175.90112.2E831 F832E831-K834 WeakPolarHBondContact O-CB 3.47Å; E831-K834 PolarHBondContact O-N 3.2Å; F832-K834 VanDerWaalsContact C-N 3.31Å; F832-K834 PolarHBondContact O-N 3.3Å
835L82.1Confident83.2Confident32 Ų3256.9 Ų56.917%0.16828%0.277CS..SBendtrans-67.9147.5175.5-66.5-174.3000111.5Y824 V826 F832 Q839 Q840Y824-L835 HydrophobicContact CD1-CD1 4.21Å; Y824-L835 HydrophobicContact CD1-CD2 3.96Å; Y824-L835 HydrophobicContact CE1-CD2 4.12Å; Y824-L835 HydrophobicContact CG-CD1 4.46Å; V826-L835 HydrophobicContact CG2-CD1 3.58Å; V826-L835 HydrophobicContact CG2-CG 4.43Å; F832-L835 PolarHBondContact O-N 3.29Å; L835-Q839 HydrophobicContact CB-CB 4Å; L835-Q839 HydrophobicContact CD1-CB 4.4Å; L835-Q839 HydrophobicContact CD2-CB 4.36Å; L835-Q839 HydrophobicContact CG-CB 4.49Å; L835-Q840 HydrophobicContact CB-CG 3.79Å; L835-Q840 VanDerWaalsContact O-CD 3.26Å; L835-Q840 PolarHBondContact O-NE2 2.77Å
836E76.5Confident83.8Confident119 Ų11951 Ų5156%0.55625%0.253SS*.  trans-74.1165.4173.3-58.9-168.3144.600112.3K838 Q839 Q840E836-K838 VanDerWaalsContact C-N 3.33Å; E836-K838 PolarHBondContact O-N 3.03Å; E836-Q839 HydrophobicContact CB-CG 4.12Å; E836-Q839 CarbonylContact O-C 3.51Å; E836-Q839 WeakPolarHBondContact O-CB 3.32Å; E836-Q839 PolarHBondContact O-N 3.04Å; E836-Q840 WeakPolarHBondContact O-CB 3.33Å; E836-Q840 WeakPolarHBondContact O-CG 3.34Å; E836-Q840 PolarHBondContact O-N 3.35Å
837R79.7Confident84.1Confident149 Ų14952 Ų5256%0.56226%0.26SS*.Hα-helixtrans-62.7-34.1-172.6-161.6173.6-173.2158.42.5114N841 I978R837-N841 PolarHBondContact O-N 2.97Å; R837-N841 VanDerWaalsContact O-N 3.17Å; R837-I978 HydrophobicContact CG-CG2 4.47Å; R837-I978 PolarHBondContact NH2-O 3.47Å
838K79.8Confident84.6Confident61 Ų6149 Ų4927%0.26524%0.237SC..Hα-helixtrans-63.2-47.3171.7-68.1-172.7-178.5-178.60111D455 D803 E836 N841 Q842D455-K838 IonicContact OD1-NZ 3.48Å; D455-K838 IonicContact OD2-NZ 3.81Å; D455-K838 PolarHBondContact OD2-NZ 2.86Å; D803-K838 HydrophobicContact CB-CB 3.9Å; E836-K838 VanDerWaalsContact C-N 3.33Å; E836-K838 PolarHBondContact O-N 3.03Å; K838-N841 WeakPolarHBondContact O-CB 3.3Å; K838-N841 PolarHBondContact O-N 2.89Å; K838-Q842 PolarHBondContact O-N 2.83Å
839Q83.9Confident84.8Confident52 Ų5251.8 Ų51.824%0.24324%0.242CC..Hα-helixtrans-66.8-38.8-178.7-50.4-178.1-40.800112.2D803 Y824 L835 E836 Q842 Y843D803-Q839 WeakPolarHBondContact OD2-CA 3.36Å; Y824-Q839 HydrophobicContact CE1-CB 4.04Å; Y824-Q839 HydrophobicContact CE1-CG 4.24Å; Y824-Q839 HydrophobicContact CE2-CB 4.26Å; Y824-Q839 VanDerWaalsContact OH-CG 3.28Å; Y824-Q839 WeakPolarHBondContact OH-CG 3.42Å; Y824-Q839 PolarHBondContact OH-NE2 3.32Å; L835-Q839 HydrophobicContact CB-CB 4Å; L835-Q839 HydrophobicContact CD1-CB 4.4Å; L835-Q839 HydrophobicContact CD2-CB 4.36Å; L835-Q839 HydrophobicContact CG-CB 4.49Å; E836-Q839 HydrophobicContact CB-CG 4.12Å; E836-Q839 CarbonylContact O-C 3.51Å; E836-Q839 WeakPolarHBondContact O-CB 3.32Å; E836-Q839 PolarHBondContact O-N 3.04Å; Q839-Q842 PolarHBondContact O-N 3.35Å; Q839-Y843 PolarHBondContact O-N 3.4Å
840Q87.8Confident85.2Confident14 Ų1452 Ų527%0.06524%0.242CC..Hα-helixtrans-61.2-44173.2-74.9170.3-19.700111.5F832 L835 E836 I844 I978F832-Q840 HydrophobicContact CD1-CG 4.33Å; F832-Q840 HydrophobicContact CD2-CG 4.5Å; F832-Q840 HydrophobicContact CE1-CB 4.08Å; F832-Q840 HydrophobicContact CE1-CG 3.88Å; F832-Q840 HydrophobicContact CE2-CB 4.01Å; F832-Q840 HydrophobicContact CE2-CG 4.04Å; F832-Q840 HydrophobicContact CZ-CB 3.55Å; F832-Q840 HydrophobicContact CZ-CG 3.73Å; F832-Q840 PolarHBondContact O-NE2 3.35Å; L835-Q840 HydrophobicContact CB-CG 3.79Å; L835-Q840 VanDerWaalsContact O-CD 3.26Å; L835-Q840 PolarHBondContact O-NE2 2.77Å; E836-Q840 WeakPolarHBondContact O-CB 3.33Å; E836-Q840 WeakPolarHBondContact O-CG 3.34Å; E836-Q840 PolarHBondContact O-N 3.35Å; Q840-I844 WeakPolarHBondContact O-CG1 3.45Å; Q840-I844 PolarHBondContact O-N 3.03Å; Q840-I978 HydrophobicContact CB-CD1 3.91Å; Q840-I978 HydrophobicContact CG-CD1 4.38Å
841N89.8Confident85.6Confident6 Ų650.1 Ų50.13%0.03222%0.222CC..Hα-helixtrans-61.8-46.3171.7-74.6-13.9000111.4I800 L801 R837 K838 Y843 I844 V845 Y974 I978I800-N841 PolarHBondContact O-ND2 3.1Å; L801-N841 HydrophobicContact CD2-CB 3.85Å; R837-N841 PolarHBondContact O-N 2.97Å; R837-N841 VanDerWaalsContact O-N 3.17Å; K838-N841 WeakPolarHBondContact O-CB 3.3Å; K838-N841 PolarHBondContact O-N 2.89Å; N841-Y843 PolarHBondContact O-N 2.94Å; N841-I844 PolarHBondContact O-N 3.44Å; N841-I844 VanDerWaalsContact O-N 3.13Å; N841-V845 WeakPolarHBondContact O-CG2 3.4Å; N841-V845 PolarHBondContact O-N 2.88Å; N841-Y974 VanDerWaalsContact OD1-CE2 3.27Å; N841-Y974 WeakPolarHBondContact OD1-CE2 3.2Å; N841-Y974 PolarHBondContact OD1-OH 3.26Å; N841-I978 WeakPolarHBondContact OD1-CG2 3.32Å
842Q86.4Confident86Confident4 Ų447.1 Ų47.12%0.01921%0.208CC..Hα-helixtrans-62.9-40.1-178.3174.857.9-2.800112.8D803 Y824 K838 Q839 I844 V845 Q846 R1046D803-Q842 HydrophobicContact CB-CB 4.14Å; D803-Q842 WeakPolarHBondContact O-CG 3.47Å; D803-Q842 PolarHBondContact O-OE1 2.83Å; D803-Q842 VanDerWaalsContact O-OE1 3.07Å; Y824-Q842 HydrophobicContact CD2-CB 4.44Å; Y824-Q842 HydrophobicContact CD2-CG 3.95Å; Y824-Q842 HydrophobicContact CE2-CB 4.08Å; Y824-Q842 HydrophobicContact CE2-CG 3.65Å; K838-Q842 PolarHBondContact O-N 2.83Å; Q839-Q842 PolarHBondContact O-N 3.35Å; Q842-I844 VanDerWaalsContact C-N 3.33Å; Q842-I844 PolarHBondContact O-N 3.4Å; Q842-V845 PolarHBondContact O-N 3.5Å; Q842-Q846 HydrophobicContact CG-CG 4.48Å; Q842-Q846 WeakPolarHBondContact O-CB 3.39Å; Q842-Q846 WeakPolarHBondContact O-CG 3.33Å; Q842-Q846 PolarHBondContact O-N 2.9Å; Q842-R1046 VanDerWaalsContact OE1-CZ 3.23Å
843Y88.7Confident86Confident21 Ų2151 Ų518%0.08223%0.225CC..Hα-helixtrans-59.4-41.2172.2173-92.9000112.3Y824 V826 F832 Q839 N841 Q846 S847 I970Y824-Y843 VanDerWaalsContact O-CD2 3.23Å; Y824-Y843 WeakPolarHBondContact O-CD2 3.37Å; Y824-Y843 WeakPolarHBondContact O-CE2 3.29Å; V826-Y843 HydrophobicContact CB-CD2 3.97Å; V826-Y843 HydrophobicContact CB-CE2 3.57Å; V826-Y843 HydrophobicContact CG2-CD2 3.83Å; V826-Y843 HydrophobicContact CG2-CE2 3.99Å; V826-Y843 HydrophobicContact CG2-CG 4.39Å; V826-Y843 PolarHBondContact O-OH 2.84Å; F832-Y843 AromaticContact CD2-CD1 3.79Å; F832-Y843 HydrophobicContact CD2-CD1 3.79Å; F832-Y843 HydrophobicContact CD2-CE1 4.24Å; F832-Y843 HydrophobicContact CD2-CG 4.28Å; F832-Y843 AromaticContact CE2-CD1 3.5Å; F832-Y843 HydrophobicContact CE2-CD1 3.5Å; F832-Y843 HydrophobicContact CE2-CE1 4.28Å; F832-Y843 HydrophobicContact CE2-CG 4.06Å; Q839-Y843 PolarHBondContact O-N 3.4Å; N841-Y843 PolarHBondContact O-N 2.94Å; Y843-Q846 PolarHBondContact O-N 3.43Å; Y843-S847 WeakPolarHBondContact CE1-OG 3.17Å; Y843-S847 VanDerWaalsContact O-CB 3.25Å; Y843-S847 WeakPolarHBondContact O-CB 3.47Å; Y843-S847 PolarHBondContact O-N 3.46Å; Y843-S847 PolarHBondContact O-OG 2.99Å; Y843-I970 HydrophobicContact CD1-CG2 4.46Å; Y843-I970 HydrophobicContact CE1-CD1 4.22Å; Y843-I970 HydrophobicContact CE1-CG2 4.01Å
844I90.8Very high85.9Confident0 Ų050 Ų500%023%0.225CC..Hα-helixtrans-64.6-46.8176.1-62.5-64000110F832 Q840 N841 Q842 Q846 S847 R848 W865 I897 I970 Y974F832-I844 HydrophobicContact CZ-CD1 4.43Å; F832-I844 HydrophobicContact CZ-CG1 4.36Å; Q840-I844 WeakPolarHBondContact O-CG1 3.45Å; Q840-I844 PolarHBondContact O-N 3.03Å; N841-I844 PolarHBondContact O-N 3.44Å; N841-I844 VanDerWaalsContact O-N 3.13Å; Q842-I844 VanDerWaalsContact C-N 3.33Å; Q842-I844 PolarHBondContact O-N 3.4Å; I844-Q846 VanDerWaalsContact C-N 3.35Å; I844-Q846 PolarHBondContact O-N 2.85Å; I844-S847 PolarHBondContact O-N 3Å; I844-R848 HydrophobicContact CG2-CG 3.94Å; I844-R848 VanDerWaalsContact O-CG 3.24Å; I844-R848 WeakPolarHBondContact O-CG 3.07Å; I844-R848 PolarHBondContact O-N 3.46Å; I844-R848 VanDerWaalsContact O-N 3.1Å; I844-W865 HydrophobicContact CB-CH2 4.41Å; I844-W865 HydrophobicContact CG2-CE3 4.48Å; I844-W865 HydrophobicContact CG2-CH2 3.72Å; I844-W865 HydrophobicContact CG2-CZ2 4.16Å; I844-W865 HydrophobicContact CG2-CZ3 3.91Å; I844-I897 HydrophobicContact CG2-CD1 4.24Å; I844-I970 HydrophobicContact CD1-CG2 4.18Å; I844-Y974 HydrophobicContact CD1-CD1 4.43Å; I844-Y974 HydrophobicContact CD1-CD2 4.26Å; I844-Y974 HydrophobicContact CD1-CG 4.11Å; I844-Y974 HydrophobicContact CG1-CD1 4.1Å; I844-Y974 HydrophobicContact CG1-CD2 3.64Å; I844-Y974 HydrophobicContact CG1-CE1 4.16Å; I844-Y974 HydrophobicContact CG1-CE2 3.74Å; I844-Y974 HydrophobicContact CG1-CG 3.86Å; I844-Y974 HydrophobicContact CG2-CE1 4.28Å
845V88.7Confident85.9Confident3 Ų345 Ų452%0.01821%0.206CC..Hα-helixtrans-58.2-46177.5-176.50000111.4L801 N841 Q842 W865 D1042 M1045 R1046L801-V845 HydrophobicContact CD2-CG2 4.18Å; N841-V845 WeakPolarHBondContact O-CG2 3.4Å; N841-V845 PolarHBondContact O-N 2.88Å; Q842-V845 PolarHBondContact O-N 3.5Å; V845-W865 HydrophobicContact CG2-CH2 3.8Å; V845-W865 HydrophobicContact CG2-CZ2 3.83Å; V845-D1042 HydrophobicContact CG1-CB 4.47Å; V845-D1042 WeakPolarHBondContact CG1-OD2 3.18Å; V845-M1045 HydrophobicContact CG1-CE 4.01Å; V845-M1045 HydrophobicContact CG2-CE 4.18Å; V845-R1046 VanDerWaalsContact CG1-NH2 3.33Å
846Q83.9Confident85.8Confident63 Ų6348.2 Ų48.229%0.29422%0.22SC..Hα-helixtrans-67.2-38.5179.2-73.9179.4-37.200113.8Q842 Y843 I844Q842-Q846 HydrophobicContact CG-CG 4.48Å; Q842-Q846 WeakPolarHBondContact O-CB 3.39Å; Q842-Q846 WeakPolarHBondContact O-CG 3.33Å; Q842-Q846 PolarHBondContact O-N 2.9Å; Y843-Q846 PolarHBondContact O-N 3.43Å; I844-Q846 VanDerWaalsContact C-N 3.35Å; I844-Q846 PolarHBondContact O-N 2.85Å
847S84.9Confident86.1Confident40 Ų4046.4 Ų46.428%0.2822%0.221SC..Hα-helixtrans-92.1-8.2-171.763.30000114.6Y843 I844Y843-S847 WeakPolarHBondContact CE1-OG 3.17Å; Y843-S847 VanDerWaalsContact O-CB 3.25Å; Y843-S847 WeakPolarHBondContact O-CB 3.47Å; Y843-S847 PolarHBondContact O-N 3.46Å; Y843-S847 PolarHBondContact O-OG 2.99Å; I844-S847 PolarHBondContact O-N 3Å
848R87.5Confident86.6Confident14 Ų1442.8 Ų42.85%0.05321%0.212CC..PPolyproline II helixtrans-85.9127.7175.4-68.6-64.1142.7-63-3.5110.8I844 Y850 L896 D971I844-R848 HydrophobicContact CG2-CG 3.94Å; I844-R848 VanDerWaalsContact O-CG 3.24Å; I844-R848 WeakPolarHBondContact O-CG 3.07Å; I844-R848 PolarHBondContact O-N 3.46Å; I844-R848 VanDerWaalsContact O-N 3.1Å; R848-Y850 WeakPolarHBondContact O-CE2 3.47Å; R848-L896 VanDerWaalsContact CD-O 3.31Å; R848-L896 WeakPolarHBondContact CD-O 3.43Å; R848-D971 IonicContact CZ-OD1 3.78Å; R848-D971 IonicContact NE-OD1 2.7Å; R848-D971 PolarHBondContact NE-OD1 2.95Å; R848-D971 IonicContact NE-OD2 3.88Å; R848-D971 IonicContact NH2-OD1 2.73Å; R848-D971 PolarHBondContact NH2-OD1 2.67Å; R848-D971 IonicContact NH2-OD2 3.68Å
849R87.7Confident87Confident106 Ų10640 Ų4040%0.420%0.2SC..PPolyproline II helixtrans-93.5136.7168.3-154.7-174.4-169.4178.7-0.5109L918 K919 L920 L922R849-L918 WeakPolarHBondContact CD-O 3.17Å; R849-L918 PolarHBondContact NH1-O 3.44Å; R849-K919 VanDerWaalsContact NH1-C 3.27Å; R849-K919 PolarHBondContact NH1-O 2.99Å; R849-L920 PolarHBondContact NH1-O 3.31Å; R849-L922 HydrophobicContact CG-CD2 4.14Å
850Y91.2Very high87.4Confident20 Ų2038.3 Ų38.38%0.07819%0.191CC..PPolyproline II helixtrans-101.6131.1-173.6-62.9-90.2000112R848 T863 W865 R893 V894 L922R848-Y850 WeakPolarHBondContact O-CE2 3.47Å; Y850-T863 HydrophobicContact CD1-CG2 4.13Å; Y850-T863 HydrophobicContact CE1-CG2 3.42Å; Y850-T863 VanDerWaalsContact CE1-CG2 3.42Å; Y850-W865 AromaticContact CE1-CD1 3.76Å; Y850-W865 AromaticContact CE1-NE1 3.38Å; Y850-W865 AromaticContact CZ-NE1 3.63Å; Y850-W865 PolarHBondContact OH-NE1 2.88Å; Y850-W865 VanDerWaalsContact OH-NE1 3.07Å; Y850-R893 HydrophobicContact CD1-CB 4.39Å; Y850-R893 HydrophobicContact CD1-CG 3.83Å; Y850-R893 HydrophobicContact CE1-CG 4.5Å; Y850-R893 VanDerWaalsContact CE2-NH1 3.32Å; Y850-R893 HydrophobicContact CG-CB 4.49Å; Y850-R893 HydrophobicContact CG-CG 4.16Å; Y850-V894 WeakPolarHBondContact CA-O 3.15Å; Y850-L922 VanDerWaalsContact O-CD2 3.3Å; Y850-L922 WeakPolarHBondContact O-CD2 3.31Å
851L92Very high87.6Confident1 Ų137.9 Ų37.91%0.00519%0.19CC..BIsolated β-bridgetrans-78.5139.8168.2-61.8176.3000109.8I883 L886 R893 V894 L896 L918 L922 A925 K926L851-I883 HydrophobicContact CD1-CD1 4.1Å; L851-I883 HydrophobicContact CD1-CG1 3.96Å; L851-L886 HydrophobicContact CB-CD1 3.8Å; L851-R893 CarbonylContact O-C 3.47Å; L851-R893 WeakPolarHBondContact O-CA 3.44Å; L851-V894 PolarHBondContact N-O 3.07Å; L851-V894 PolarHBondContact O-N 3.28Å; L851-L896 HydrophobicContact CD1-CD1 4.48Å; L851-L918 HydrophobicContact CD1-CD2 4.48Å; L851-L918 HydrophobicContact CD2-CD2 3.88Å; L851-L918 HydrophobicContact CG-CD2 4.16Å; L851-L922 HydrophobicContact CD2-CD2 4.35Å; L851-A925 HydrophobicContact CD2-CB 4.29Å; L851-K926 HydrophobicContact CD2-CB 4.27Å
852T90.8Very high87.8Confident9 Ų937.7 Ų37.76%0.05519%0.189CC..  trans-138169.4-174.353.40000111.4N854 R893 K926T852-N854 WeakPolarHBondContact CB-O 3.49Å; T852-N854 PolarHBondContact OG1-O 2.88Å; T852-R893 HydrophobicContact CG2-CB 3.9Å; T852-K926 PolarHBondContact O-NZ 3.2Å
853K86.2Confident88.2Confident82 Ų8237.6 Ų37.636%0.35719%0.188SC..SBendtrans-64.2-52.6172.8-171.4168173.7161.50112.5L886 K887 P890 K926K853-L886 VanDerWaalsContact CB-O 3.24Å; K853-L886 WeakPolarHBondContact CB-O 3.19Å; K853-L886 WeakPolarHBondContact CD-O 3.44Å; K853-L886 VanDerWaalsContact CG-O 3.28Å; K853-L886 WeakPolarHBondContact CG-O 2.92Å; K853-K887 VanDerWaalsContact CE-O 3.28Å; K853-K887 WeakPolarHBondContact CE-O 3.18Å; K853-K887 PolarHBondContact NZ-O 3.02Å; K853-P890 HydrophobicContact CD-CB 4.15Å; K853-K926 PolarHBondContact O-NZ 2.99Å
854N83.4Confident88.5Confident78 Ų7836.6 Ų36.642%0.41718%0.184SC..SBendtrans-121.4155.7175.6-61.95.8000109.3T852 E856 R860T852-N854 WeakPolarHBondContact CB-O 3.49Å; T852-N854 PolarHBondContact OG1-O 2.88Å; N854-E856 HydrophobicContact CB-CG 4.25Å; N854-E856 VanDerWaalsContact CB-OE1 3.24Å; N854-E856 WeakPolarHBondContact CB-OE1 3.46Å; N854-E856 PolarHBondContact ND2-OE1 2.84Å; N854-E856 PolarHBondContact O-N 2.97Å; N854-E856 VanDerWaalsContact O-N 3.17Å; N854-R860 PolarHBondContact O-NH2 2.68Å
855D81.5Confident88.7Confident71 Ų7136.7 Ų36.738%0.3819%0.185SC..SBendtrans-76.43-178.3-67.916.7000112.9L922 H923D855-L922 WeakPolarHBondContact OD1-CB 3.5Å; D855-L922 PolarHBondContact OD2-N 2.91Å; D855-H923 PolarHBondContact OD1-N 3.42Å; D855-H923 IonicContact OD2-CE1 3.39Å; D855-H923 IonicContact OD2-CG 2.71Å; D855-H923 PolarHBondContact OD2-N 2.87Å; D855-H923 IonicContact OD2-ND1 2.68Å; D855-H923 PolarHBondContact OD2-ND1 3.22Å
856E81.4Confident89Confident100 Ų10036.5 Ų36.547%0.46718%0.184SC..  trans-62.4136.4178.3-67.2159.8-12300114N854 I858 R860N854-E856 HydrophobicContact CB-CG 4.25Å; N854-E856 VanDerWaalsContact CB-OE1 3.24Å; N854-E856 WeakPolarHBondContact CB-OE1 3.46Å; N854-E856 PolarHBondContact ND2-OE1 2.84Å; N854-E856 PolarHBondContact O-N 2.97Å; N854-E856 VanDerWaalsContact O-N 3.17Å; E856-I858 VanDerWaalsContact C-N 3.31Å; E856-I858 HydrophobicContact CB-CG2 4.34Å; E856-I858 PolarHBondContact O-N 3.49Å; E856-R860 PolarHBondContact O-NH1 2.68Å; E856-R860 PolarHBondContact O-NH2 3.32Å
857S82.4Confident89.5Confident80 Ų8033.5 Ų33.556%0.55917%0.17SC*.  trans-79.168.117245.30000112.3H1035S857-H1035 WeakPolarHBondContact O-CB 3.24Å
858I89.2Confident89.9Confident74 Ų7431.6 Ų31.638%0.37916%0.156SC..  trans-107.9151.4172.857.9170.2000112E856 R860E856-I858 VanDerWaalsContact C-N 3.31Å; E856-I858 HydrophobicContact CB-CG2 4.34Å; E856-I858 PolarHBondContact O-N 3.49Å; I858-R860 HydrophobicContact CG1-CG 4.31Å; I858-R860 VanDerWaalsContact CG1-CZ 3.49Å; I858-R860 PolarHBondContact O-N 2.88Å
859L89.7Confident90Very high3 Ų331.3 Ų31.32%0.01616%0.156CC..  trans-62.7120.2170.5-179.6150.4000110.4A1025 I1028 R1029 V1044L859-A1025 HydrophobicContact CD2-CB 3.62Å; L859-I1028 HydrophobicContact CD1-CB 4.13Å; L859-I1028 HydrophobicContact CD1-CG2 3.61Å; L859-R1029 HydrophobicContact CD1-CG 4.31Å; L859-V1044 HydrophobicContact CD1-CG2 4.13Å; L859-V1044 HydrophobicContact CD2-CG2 4.33Å; L859-V1044 HydrophobicContact CG-CG2 4.41Å
860R91.9Very high90.1Very high16 Ų1626.2 Ų26.26%0.0614%0.137CC..  trans-114.1107.3177.4-74.1-176.1-175.290.3-2.7109.2N854 E856 I858 V862 N891 S1041N854-R860 PolarHBondContact O-NH2 2.68Å; E856-R860 PolarHBondContact O-NH1 2.68Å; E856-R860 PolarHBondContact O-NH2 3.32Å; I858-R860 HydrophobicContact CG1-CG 4.31Å; I858-R860 VanDerWaalsContact CG1-CZ 3.49Å; I858-R860 PolarHBondContact O-N 2.88Å; R860-V862 PolarHBondContact O-N 3.19Å; R860-N891 CarbonylContact C-O 3.55Å; R860-N891 WeakPolarHBondContact CB-O 3.45Å; R860-S1041 PolarHBondContact N-OG 2.67Å; R860-S1041 WeakPolarHBondContact O-CB 3.2Å; R860-S1041 PolarHBondContact O-OG 3.36Å
861P91.5Very high89.9Confident5 Ų526.6 Ų26.63%0.03214%0.144CC..SBendtrans-70-12.5-172.427.8-36.9000114.8N891 N991 L1017 A1025 V1044P861-N891 HydrophobicContact CG-CB 3.96Å; P861-N991 PolarHBondContact O-ND2 2.77Å; P861-L1017 HydrophobicContact CB-CD2 4.08Å; P861-L1017 HydrophobicContact CG-CD2 3.73Å; P861-A1025 HydrophobicContact CB-CB 4.03Å; P861-V1044 HydrophobicContact CB-CG1 4.4Å
862V93.6Very high89.7Confident1 Ų128.9 Ų28.91%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-114.9117.8-177.2173.90000110R860 N891 E892 R893 E1013 L1016R860-V862 PolarHBondContact O-N 3.19Å; V862-N891 PolarHBondContact N-O 3.18Å; V862-E892 HydrophobicContact CG1-CB 4.39Å; V862-E892 HydrophobicContact CG1-CG 4.24Å; V862-E892 CarbonylContact O-C 3.57Å; V862-E892 WeakPolarHBondContact O-CA 3.33Å; V862-R893 PolarHBondContact O-N 3.43Å; V862-E1013 HydrophobicContact CG2-CG 4.01Å; V862-L1016 HydrophobicContact CB-CD1 4.27Å; V862-L1016 HydrophobicContact CG1-CD1 3.8Å; V862-L1016 HydrophobicContact CG2-CB 4.15Å; V862-L1016 HydrophobicContact CG2-CD1 3.93Å
863T94.8Very high89.6Confident2 Ų235.3 Ų35.31%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-115.5119.6176.4-48.80000109.1Y850 R893 N991 M1045Y850-T863 HydrophobicContact CD1-CG2 4.13Å; Y850-T863 HydrophobicContact CE1-CG2 3.42Å; Y850-T863 VanDerWaalsContact CE1-CG2 3.42Å; T863-R893 HydrophobicContact CG2-CG 4.11Å; T863-R893 PolarHBondContact OG1-NE 3.1Å; T863-R893 PolarHBondContact OG1-NH2 3.04Å; T863-N991 WeakPolarHBondContact CA-OD1 3.38Å; T863-N991 VanDerWaalsContact CB-OD1 3.24Å; T863-N991 WeakPolarHBondContact CB-OD1 3.36Å; T863-N991 PolarHBondContact N-OD1 3.2Å; T863-N991 PolarHBondContact O-N 2.7Å; T863-N991 PolarHBondContact O-OD1 2.85Å; T863-N991 PolarHBondContact OG1-OD1 2.65Å; T863-M1045 HydrophobicContact CG2-CE 4.28Å; T863-M1045 HydrophobicContact CG2-SD 3.6Å; T863-M1045 VanDerWaalsContact CG2-SD 3.6Å
864L95Very high89.7Confident0 Ų033.6 Ų33.60%018%0.18CC..EExtended strand (participates in β ladder)trans-108.2132.6173.8-166.975.1000109.3V866 A882 R893 V894 G895 L988 I989 I990 F1009 I1012L864-V866 HydrophobicContact CD2-CG2 3.65Å; L864-V866 HydrophobicContact CG-CG2 4.12Å; L864-A882 HydrophobicContact CD2-CB 4.03Å; L864-R893 PolarHBondContact N-O 3Å; L864-V894 HydrophobicContact CB-CG2 4.35Å; L864-V894 HydrophobicContact CD2-CG2 4.36Å; L864-V894 CarbonylContact O-C 3.49Å; L864-V894 WeakPolarHBondContact O-CA 3.5Å; L864-G895 PolarHBondContact O-N 3.19Å; L864-L988 HydrophobicContact CD1-CD2 3.8Å; L864-L988 HydrophobicContact CD1-CG 3.97Å; L864-I989 CarbonylContact C-O 3.6Å; L864-I989 WeakPolarHBondContact CA-O 3.34Å; L864-I990 HydrophobicContact CD1-CG1 3.79Å; L864-F1009 HydrophobicContact CD2-CD1 3.95Å; L864-F1009 HydrophobicContact CD2-CE1 3.78Å; L864-I1012 HydrophobicContact CD1-CD1 4.41Å
865W95.4Very high90Very high2 Ų229.9 Ų29.91%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-110.3129.6158-55.9-22.7000109.2L799 I844 V845 Y850 G895 I897 Y974 I989 M1045L799-W865 HydrophobicContact CD1-CE3 4.44Å; L799-W865 HydrophobicContact CD1-CZ3 3.8Å; I844-W865 HydrophobicContact CB-CH2 4.41Å; I844-W865 HydrophobicContact CG2-CE3 4.48Å; I844-W865 HydrophobicContact CG2-CH2 3.72Å; I844-W865 HydrophobicContact CG2-CZ2 4.16Å; I844-W865 HydrophobicContact CG2-CZ3 3.91Å; V845-W865 HydrophobicContact CG2-CH2 3.8Å; V845-W865 HydrophobicContact CG2-CZ2 3.83Å; Y850-W865 AromaticContact CE1-CD1 3.76Å; Y850-W865 AromaticContact CE1-NE1 3.38Å; Y850-W865 AromaticContact CZ-NE1 3.63Å; Y850-W865 PolarHBondContact OH-NE1 2.88Å; Y850-W865 VanDerWaalsContact OH-NE1 3.07Å; W865-G895 WeakPolarHBondContact CA-O 3.43Å; W865-I897 HydrophobicContact CB-CD1 3.83Å; W865-I897 HydrophobicContact CB-CG1 4.4Å; W865-I897 HydrophobicContact CD2-CD1 3.86Å; W865-I897 HydrophobicContact CE3-CD1 3.59Å; W865-I897 HydrophobicContact CG-CD1 4.02Å; W865-I897 HydrophobicContact CZ3-CD1 4.35Å; W865-Y974 HydrophobicContact CZ3-CE1 4.23Å; W865-I989 HydrophobicContact CB-CB 4.12Å; W865-I989 HydrophobicContact CB-CD1 4.13Å; W865-I989 HydrophobicContact CE3-CB 4.23Å; W865-I989 HydrophobicContact CE3-CD1 4.42Å; W865-I989 HydrophobicContact CE3-CG1 4.32Å; W865-I989 HydrophobicContact CE3-CG2 4.27Å; W865-I989 PolarHBondContact N-O 2.7Å; W865-I989 PolarHBondContact O-N 2.87Å; W865-M1045 HydrophobicContact CZ2-CE 4.04Å; W865-M1045 HydrophobicContact CZ2-SD 4.35Å
866V94.9Very high90.5Very high0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-104122.4175.9-171.10000108.7L864 L878 Y879 A882 V894 G895 I897 L988L864-V866 HydrophobicContact CD2-CG2 3.65Å; L864-V866 HydrophobicContact CG-CG2 4.12Å; V866-L878 HydrophobicContact CG1-CD2 3.76Å; V866-L878 HydrophobicContact CG1-CG 3.76Å; V866-Y879 HydrophobicContact CB-CD1 4.08Å; V866-Y879 HydrophobicContact CB-CE1 4.07Å; V866-Y879 HydrophobicContact CG1-CD1 3.6Å; V866-Y879 HydrophobicContact CG1-CE1 3.86Å; V866-Y879 WeakPolarHBondContact O-CE1 3.37Å; V866-A882 HydrophobicContact CG2-CB 3.66Å; V866-V894 HydrophobicContact CG2-CG1 4.09Å; V866-G895 PolarHBondContact N-O 3.38Å; V866-I897 PolarHBondContact O-N 3.1Å; V866-L988 HydrophobicContact CG1-CD1 4.26Å; V866-L988 HydrophobicContact CG2-CD1 4.49Å
867V94.6Very high90.9Very high0 Ų026.9 Ų26.90%014%0.144CC..EExtended strand (participates in β ladder)trans-100.1123.8177.81790000108.5I897 N899 S975 L979 I981 V986 G987 I989V867-I897 WeakPolarHBondContact CA-O 3.16Å; V867-I897 HydrophobicContact CG2-CB 3.99Å; V867-I897 HydrophobicContact CG2-CD1 4.46Å; V867-I897 HydrophobicContact CG2-CG2 4.06Å; V867-N899 HydrophobicContact CG1-CB 3.56Å; V867-S975 WeakPolarHBondContact CG1-OG 3.11Å; V867-L979 HydrophobicContact CG2-CD1 3.83Å; V867-I981 HydrophobicContact CB-CD1 3.91Å; V867-I981 HydrophobicContact CG1-CD1 3.85Å; V867-I981 HydrophobicContact CG1-CG2 4.44Å; V867-I981 HydrophobicContact CG2-CD1 3.86Å; V867-V986 CarbonylContact O-C 3.53Å; V867-V986 WeakPolarHBondContact O-CA 3.34Å; V867-V986 WeakPolarHBondContact O-CG1 3.2Å; V867-G987 PolarHBondContact N-O 3.48Å; V867-G987 PolarHBondContact O-N 2.73Å; V867-I989 HydrophobicContact CG2-CD1 3.38Å
868A92.7Very high91.4Very high0 Ų023.1 Ų23.10%012%0.117CC..EExtended strand (participates in β ladder)trans-154.7157.8-179.600000114.8Y879 I897 N899 V986A868-Y879 HydrophobicContact CB-CD1 3.59Å; A868-Y879 HydrophobicContact CB-CE1 3.3Å; A868-I897 PolarHBondContact N-O 2.93Å; A868-N899 PolarHBondContact O-N 3.42Å; A868-V986 HydrophobicContact CB-CG1 3.64Å
869N90.8Very high91.5Very high7 Ų719.6 Ų19.64%0.03710%0.099CC..  trans-94.1109.3155.1-176.11.5000110.2A871 T872 N899 D904N869-A871 PolarHBondContact O-N 2.92Å; N869-A871 WeakPolarHBondContact OD1-CB 3.43Å; N869-A871 PolarHBondContact OD1-N 3.06Å; N869-T872 HydrophobicContact CB-CG2 3.96Å; N869-T872 WeakPolarHBondContact O-CB 3.37Å; N869-T872 PolarHBondContact O-N 3.39Å; N869-T872 PolarHBondContact O-OG1 3.14Å; N869-N899 WeakPolarHBondContact CB-O 3.37Å; N869-D904 PolarHBondContact ND2-OD2 3Å
870V88.9Confident91.7Very high0 Ų020.8 Ų20.80%011%0.105CC..THydrogen-bonded Turntrans-71.6-6.6-178.774.40000114.4R876 Y879 I900 I910 A911 I914 L933V870-R876 HydrophobicContact CG2-CG 3.79Å; V870-R876 WeakPolarHBondContact O-CD 3.35Å; V870-R876 WeakPolarHBondContact O-CG 3.21Å; V870-Y879 HydrophobicContact CG2-CD2 4.37Å; V870-I900 HydrophobicContact CG1-CD1 4.3Å; V870-I910 HydrophobicContact CB-CG2 4.42Å; V870-I910 HydrophobicContact CG1-CB 3.9Å; V870-I910 HydrophobicContact CG1-CG2 3.59Å; V870-I910 HydrophobicContact CG2-CG2 3.98Å; V870-A911 HydrophobicContact CG1-CB 4.32Å; V870-I914 HydrophobicContact CB-CD1 4.44Å; V870-I914 HydrophobicContact CG1-CD1 4.38Å; V870-I914 HydrophobicContact CG2-CD1 3.81Å; V870-L933 HydrophobicContact CG2-CD2 3.58Å
871A86.7Confident91.7Very high28 Ų2820.8 Ų20.823%0.23111%0.108CC..THydrogen-bonded Turntrans-74.6-31.6165.100000112.3N869 D904N869-A871 PolarHBondContact O-N 2.92Å; N869-A871 WeakPolarHBondContact OD1-CB 3.43Å; N869-A871 PolarHBondContact OD1-N 3.06Å; A871-D904 VanDerWaalsContact CB-OD2 3.27Å; A871-D904 WeakPolarHBondContact CB-OD2 3.42Å
872T88.3Confident91.7Very high48 Ų4820.5 Ų20.529%0.29411%0.107SC..SBendtrans-72.9156.6-178.769.70000111N869 G875 R876N869-T872 HydrophobicContact CB-CG2 3.96Å; N869-T872 WeakPolarHBondContact O-CB 3.37Å; N869-T872 PolarHBondContact O-N 3.39Å; N869-T872 PolarHBondContact O-OG1 3.14Å; T872-G875 PolarHBondContact OG1-N 3.09Å; T872-R876 WeakPolarHBondContact O-CG 3.34Å; T872-R876 PolarHBondContact O-N 3.3Å; T872-R876 PolarHBondContact O-NE 3.38Å
873K88.7Confident91.6Very high145 Ų14520.7 Ų20.763%0.6311%0.107SC*.Hα-helixtrans-64.2-52.5169176.8171.6176.3176.80110.3G875 R876 D877K873-G875 VanDerWaalsContact C-N 3.25Å; K873-G875 PolarHBondContact O-N 3.22Å; K873-R876 PolarHBondContact O-N 2.84Å; K873-D877 WeakPolarHBondContact CE-OD2 3.31Å; K873-D877 WeakPolarHBondContact CG-OD2 3.43Å; K873-D877 PolarHBondContact O-N 3.31Å
874D88.9Confident91.4Very high45 Ų4526.1 Ų26.124%0.24113%0.128CC..Hα-helixtrans-52-41.2-178.5-14841.8000112.3L878 V986 S1000D874-L878 WeakPolarHBondContact O-CB 3.34Å; D874-L878 PolarHBondContact O-N 3.27Å; D874-V986 WeakPolarHBondContact OD2-CG2 3.39Å; D874-S1000 WeakPolarHBondContact O-CB 3.49Å; D874-S1000 WeakPolarHBondContact OD1-CB 3.36Å; D874-S1000 PolarHBondContact OD1-N 3.08Å; D874-S1000 PolarHBondContact OD1-OG 3.05Å
875G89.8Confident91.2Very high0 Ų026.2 Ų26.20%013%0.128CC..Hα-helixtrans-74.1-34.7176.600000115.6T872 K873 Y879T872-G875 PolarHBondContact OG1-N 3.09Å; K873-G875 VanDerWaalsContact C-N 3.25Å; K873-G875 PolarHBondContact O-N 3.22Å; G875-Y879 WeakPolarHBondContact O-CB 3.17Å; G875-Y879 PolarHBondContact O-N 2.92Å; G875-Y879 VanDerWaalsContact O-N 3.14Å
876R90.7Very high91Very high49 Ų4926.2 Ų26.219%0.18513%0.128CC..Hα-helixtrans-70.2-46.4175.3-75.8178.3-73.1163.22.5111.3V870 T872 K873 L878 Y879 L880 L933V870-R876 HydrophobicContact CG2-CG 3.79Å; V870-R876 WeakPolarHBondContact O-CD 3.35Å; V870-R876 WeakPolarHBondContact O-CG 3.21Å; T872-R876 WeakPolarHBondContact O-CG 3.34Å; T872-R876 PolarHBondContact O-N 3.3Å; T872-R876 PolarHBondContact O-NE 3.38Å; K873-R876 PolarHBondContact O-N 2.84Å; R876-L878 VanDerWaalsContact C-N 3.3Å; R876-L878 PolarHBondContact O-N 3.28Å; R876-Y879 PolarHBondContact O-N 2.84Å; R876-L880 WeakPolarHBondContact O-CB 3.46Å; R876-L880 PolarHBondContact O-N 3.35Å; R876-L933 HydrophobicContact CB-CD2 4.43Å; R876-L933 HydrophobicContact CG-CD2 4.06Å
877D91.4Very high90.6Very high60 Ų6033.5 Ų33.532%0.32116%0.16SC..Hα-helixtrans-61.1-41.1-179.5-65.8-4000110.4K873 L880 A881K873-D877 WeakPolarHBondContact CE-OD2 3.31Å; K873-D877 WeakPolarHBondContact CG-OD2 3.43Å; K873-D877 PolarHBondContact O-N 3.31Å; D877-L880 PolarHBondContact O-N 3.02Å; D877-A881 WeakPolarHBondContact O-CB 3.36Å; D877-A881 PolarHBondContact O-N 2.93Å
878L91.5Very high90.2Very high0 Ų039.6 Ų39.60%019%0.189CC..Hα-helixtrans-68.9-44.2176.6-172.567.3000113.6V866 D874 R876 L880 A881 A882 V986 L988 F1003V866-L878 HydrophobicContact CG1-CD2 3.76Å; V866-L878 HydrophobicContact CG1-CG 3.76Å; D874-L878 WeakPolarHBondContact O-CB 3.34Å; D874-L878 PolarHBondContact O-N 3.27Å; R876-L878 VanDerWaalsContact C-N 3.3Å; R876-L878 PolarHBondContact O-N 3.28Å; L878-L880 VanDerWaalsContact C-N 3.29Å; L878-L880 PolarHBondContact O-N 2.79Å; L878-A881 PolarHBondContact O-N 2.67Å; L878-A882 PolarHBondContact O-N 2.99Å; L878-A882 VanDerWaalsContact O-N 3.14Å; L878-V986 HydrophobicContact CB-CG1 4.38Å; L878-V986 HydrophobicContact CD2-CB 3.73Å; L878-V986 HydrophobicContact CD2-CG1 3.61Å; L878-L988 HydrophobicContact CD1-CD1 4.13Å; L878-L988 HydrophobicContact CD2-CD1 3.94Å; L878-L988 HydrophobicContact CG-CD1 4.33Å; L878-F1003 HydrophobicContact CD1-CB 3.73Å
879Y92.7Very high89.9Confident0 Ų040.1 Ų40.10%019%0.191CC..Hα-helixtrans-57.7-44.8172.8-92.524.7000111.2V866 A868 V870 G875 R876 A882 I883 L896 I897 H898 I914V866-Y879 HydrophobicContact CB-CD1 4.08Å; V866-Y879 HydrophobicContact CB-CE1 4.07Å; V866-Y879 HydrophobicContact CG1-CD1 3.6Å; V866-Y879 HydrophobicContact CG1-CE1 3.86Å; V866-Y879 WeakPolarHBondContact O-CE1 3.37Å; A868-Y879 HydrophobicContact CB-CD1 3.59Å; A868-Y879 HydrophobicContact CB-CE1 3.3Å; V870-Y879 HydrophobicContact CG2-CD2 4.37Å; G875-Y879 WeakPolarHBondContact O-CB 3.17Å; G875-Y879 PolarHBondContact O-N 2.92Å; G875-Y879 VanDerWaalsContact O-N 3.14Å; R876-Y879 PolarHBondContact O-N 2.84Å; Y879-A882 PolarHBondContact O-N 2.76Å; Y879-I883 WeakPolarHBondContact O-CB 3.39Å; Y879-I883 WeakPolarHBondContact O-CD1 3.48Å; Y879-I883 VanDerWaalsContact O-CG1 3.26Å; Y879-I883 WeakPolarHBondContact O-CG1 3.36Å; Y879-I883 PolarHBondContact O-N 3.5Å; Y879-L896 HydrophobicContact CD1-CD2 4.06Å; Y879-L896 HydrophobicContact CD2-CD1 4.15Å; Y879-L896 HydrophobicContact CD2-CD2 4.04Å; Y879-L896 HydrophobicContact CE1-CB 4.5Å; Y879-L896 HydrophobicContact CE1-CD2 4.01Å; Y879-L896 HydrophobicContact CE2-CB 4.01Å; Y879-L896 HydrophobicContact CE2-CD1 3.96Å; Y879-L896 HydrophobicContact CE2-CD2 4.02Å; Y879-L896 HydrophobicContact CE2-CG 4.21Å; Y879-L896 HydrophobicContact CG-CD2 4.05Å; Y879-I897 VanDerWaalsContact OH-C 3.29Å; Y879-I897 PolarHBondContact OH-N 3.33Å; Y879-I897 PolarHBondContact OH-O 3.39Å; Y879-I897 VanDerWaalsContact OH-O 3.12Å; Y879-H898 AromaticContact CE2-CE1 3.83Å; Y879-H898 PolarHBondContact OH-ND1 3.44Å; Y879-I914 HydrophobicContact CD2-CD1 4.41Å; Y879-I914 HydrophobicContact CE2-CD1 4.27Å
880L92.1Very high89.7Confident29 Ų2942.7 Ų42.715%0.15221%0.208CC..Hα-helixtrans-69.9-34.5-177.8174144000112.3R876 D877 L878 R884 L933 E934R876-L880 WeakPolarHBondContact O-CB 3.46Å; R876-L880 PolarHBondContact O-N 3.35Å; D877-L880 PolarHBondContact O-N 3.02Å; L878-L880 VanDerWaalsContact C-N 3.29Å; L878-L880 PolarHBondContact O-N 2.79Å; L880-R884 WeakPolarHBondContact O-CB 3.36Å; L880-R884 WeakPolarHBondContact O-CD 3.35Å; L880-R884 WeakPolarHBondContact O-CG 3.36Å; L880-R884 PolarHBondContact O-N 2.93Å; L880-R884 VanDerWaalsContact O-N 3.14Å; L880-L933 HydrophobicContact CB-CB 4.46Å; L880-L933 HydrophobicContact CB-CD1 4.36Å; L880-L933 HydrophobicContact CD1-CB 4.08Å; L880-E934 HydrophobicContact CD1-CB 4.45Å; L880-E934 HydrophobicContact CD1-CG 3.56Å
881A91.8Very high89.7Confident15 Ų1545.2 Ų45.212%0.12422%0.222CC..Hα-helixtrans-63.5-50171.900000111.8D877 L878 I883 R884 S885 F1009D877-A881 WeakPolarHBondContact O-CB 3.36Å; D877-A881 PolarHBondContact O-N 2.93Å; L878-A881 PolarHBondContact O-N 2.67Å; A881-I883 PolarHBondContact O-N 3.33Å; A881-R884 WeakPolarHBondContact O-CB 3.31Å; A881-R884 PolarHBondContact O-N 3.41Å; A881-R884 VanDerWaalsContact O-N 3.08Å; A881-S885 PolarHBondContact O-N 2.84Å; A881-F1009 HydrophobicContact CB-CE2 3.87Å; A881-F1009 HydrophobicContact CB-CZ 4.07Å
882A92.3Very high90Very high0 Ų044 Ų440%021%0.211CC..Hα-helixtrans-67.2-32.2178.900000113.7L864 V866 L878 Y879 R884 S885 V894 F1009L864-A882 HydrophobicContact CD2-CB 4.03Å; V866-A882 HydrophobicContact CG2-CB 3.66Å; L878-A882 PolarHBondContact O-N 2.99Å; L878-A882 VanDerWaalsContact O-N 3.14Å; Y879-A882 PolarHBondContact O-N 2.76Å; A882-R884 VanDerWaalsContact C-N 3.27Å; A882-R884 PolarHBondContact O-N 2.73Å; A882-S885 PolarHBondContact O-OG 2.99Å; A882-V894 HydrophobicContact CB-CG1 4.2Å; A882-F1009 HydrophobicContact CB-CE1 3.75Å; A882-F1009 HydrophobicContact CB-CZ 4.04Å
883I92.1Very high90.2Very high4 Ų442 Ų422%0.02120%0.198CC..Hα-helixtrans-72.3-25.5173.4-67.1165.4000111.1L851 Y879 A881 L896 K926 I929 T930 L933L851-I883 HydrophobicContact CD1-CD1 4.1Å; L851-I883 HydrophobicContact CD1-CG1 3.96Å; Y879-I883 WeakPolarHBondContact O-CB 3.39Å; Y879-I883 WeakPolarHBondContact O-CD1 3.48Å; Y879-I883 VanDerWaalsContact O-CG1 3.26Å; Y879-I883 WeakPolarHBondContact O-CG1 3.36Å; Y879-I883 PolarHBondContact O-N 3.5Å; A881-I883 PolarHBondContact O-N 3.33Å; I883-L896 HydrophobicContact CD1-CD1 4.43Å; I883-K926 HydrophobicContact CG2-CG 4.24Å; I883-I929 HydrophobicContact CD1-CG2 3.75Å; I883-T930 VanDerWaalsContact CG2-OG1 3.25Å; I883-T930 WeakPolarHBondContact CG2-OG1 3.34Å; I883-L933 HydrophobicContact CD1-CD1 3.87Å
884R91.1Very high90.5Very high117 Ų11735 Ų3544%0.44217%0.168SC..Hα-helixtrans-80.2-33175-74169.8172.4-168.4-1.5113.1L880 A881 A882 L886 K887 E934L880-R884 WeakPolarHBondContact O-CB 3.36Å; L880-R884 WeakPolarHBondContact O-CD 3.35Å; L880-R884 WeakPolarHBondContact O-CG 3.36Å; L880-R884 PolarHBondContact O-N 2.93Å; L880-R884 VanDerWaalsContact O-N 3.14Å; A881-R884 WeakPolarHBondContact O-CB 3.31Å; A881-R884 PolarHBondContact O-N 3.41Å; A881-R884 VanDerWaalsContact O-N 3.08Å; A882-R884 VanDerWaalsContact C-N 3.27Å; A882-R884 PolarHBondContact O-N 2.73Å; R884-L886 VanDerWaalsContact C-N 3.26Å; R884-L886 PolarHBondContact O-N 3.46Å; R884-K887 WeakPolarHBondContact O-CB 3.23Å; R884-K887 PolarHBondContact O-N 3.19Å; R884-K887 VanDerWaalsContact O-N 3.12Å; R884-E934 IonicContact CZ-OE1 2.75Å; R884-E934 IonicContact NE-OE1 2.85Å; R884-E934 IonicContact NH2-OE1 2.67Å; R884-E934 PolarHBondContact NH2-OE1 2.93Å
885S90.3Very high90.7Very high1 Ų132.9 Ų32.91%0.00716%0.157CC..Hα-helixtrans-57.2-38.717765.20000112.4A881 A882 K887 Q888 L889 E892A881-S885 PolarHBondContact O-N 2.84Å; A882-S885 PolarHBondContact O-OG 2.99Å; S885-K887 PolarHBondContact O-N 2.98Å; S885-Q888 PolarHBondContact O-N 2.98Å; S885-L889 PolarHBondContact O-N 3Å; S885-E892 WeakPolarHBondContact CB-OE2 3.43Å; S885-E892 PolarHBondContact OG-OE2 2.67Å
886L89.7Confident91Very high2 Ų233 Ų331%0.0116%0.158CC..THydrogen-bonded Turntrans-52.7-18.5175.2-71.4175.9000115.2L851 K853 R884 E892 V894L851-L886 HydrophobicContact CB-CD1 3.8Å; K853-L886 VanDerWaalsContact CB-O 3.24Å; K853-L886 WeakPolarHBondContact CB-O 3.19Å; K853-L886 WeakPolarHBondContact CD-O 3.44Å; K853-L886 VanDerWaalsContact CG-O 3.28Å; K853-L886 WeakPolarHBondContact CG-O 2.92Å; R884-L886 VanDerWaalsContact C-N 3.26Å; R884-L886 PolarHBondContact O-N 3.46Å; L886-E892 HydrophobicContact CD2-CB 4.05Å; L886-E892 HydrophobicContact CD2-CG 4.01Å; L886-E892 WeakPolarHBondContact CD2-O 3.27Å; L886-V894 HydrophobicContact CD1-CB 4.19Å; L886-V894 HydrophobicContact CD1-CG2 3.96Å; L886-V894 HydrophobicContact CD2-CG2 3.89Å; L886-V894 HydrophobicContact CG-CG2 3.84Å
887K87.3Confident91.1Very high153 Ų15330.7 Ų30.767%0.66515%0.149SC*.THydrogen-bonded Turntrans-71.1-37.7171.7-66.9-174.1179.6-178.70111.7K853 R884 S885K853-K887 VanDerWaalsContact CE-O 3.28Å; K853-K887 WeakPolarHBondContact CE-O 3.18Å; K853-K887 PolarHBondContact NZ-O 3.02Å; R884-K887 WeakPolarHBondContact O-CB 3.23Å; R884-K887 PolarHBondContact O-N 3.19Å; R884-K887 VanDerWaalsContact O-N 3.12Å; S885-K887 PolarHBondContact O-N 2.98Å
888Q85.8Confident91.2Very high129 Ų12927.9 Ų27.960%0.60313%0.133SC*.THydrogen-bonded Turntrans-92-39-177.7-66.9-179.2-11.600112S885 P890S885-Q888 PolarHBondContact O-N 2.98Å; Q888-P890 VanDerWaalsContact O-CD 3.26Å; Q888-P890 WeakPolarHBondContact O-CD 3.45Å
889L87.9Confident91.3Very high11 Ų1127.9 Ų27.96%0.05813%0.133CC..  trans-100.1100.9-170.8-48.2-177.1000111.3S885 E892 F1009 A1010S885-L889 PolarHBondContact O-N 3Å; L889-E892 HydrophobicContact CB-CB 4.05Å; L889-F1009 HydrophobicContact CD1-CB 3.73Å; L889-A1010 HydrophobicContact CD2-CB 4.06Å
890P86.3Confident91.1Very high60 Ų6027.9 Ų27.939%0.3913%0.134SC..THydrogen-bonded Turntrans-78.7-22.9-173.932.5-36.2000113.9K853 Q888 E892K853-P890 HydrophobicContact CD-CB 4.15Å; Q888-P890 VanDerWaalsContact O-CD 3.26Å; Q888-P890 WeakPolarHBondContact O-CD 3.45Å; P890-E892 VanDerWaalsContact C-N 3.32Å
891N89.1Confident90.6Very high54 Ų5428.1 Ų28.129%0.28914%0.14SC..THydrogen-bonded Turntrans-85.1-5.1-179.1-58.9-62.9000113.2R860 P861 V862 E1013R860-N891 CarbonylContact C-O 3.55Å; R860-N891 WeakPolarHBondContact CB-O 3.45Å; P861-N891 HydrophobicContact CG-CB 3.96Å; V862-N891 PolarHBondContact N-O 3.18Å; N891-E1013 VanDerWaalsContact CB-OE1 3.26Å; N891-E1013 WeakPolarHBondContact CB-OE1 3.45Å; N891-E1013 PolarHBondContact ND2-OE1 2.91Å
892E91.8Very high89.7Confident1 Ų137.4 Ų37.41%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-89144.9-179.8-175.3174.9-142.600111.5V862 S885 L886 L889 P890 V894V862-E892 HydrophobicContact CG1-CB 4.39Å; V862-E892 HydrophobicContact CG1-CG 4.24Å; V862-E892 CarbonylContact O-C 3.57Å; V862-E892 WeakPolarHBondContact O-CA 3.33Å; S885-E892 WeakPolarHBondContact CB-OE2 3.43Å; S885-E892 PolarHBondContact OG-OE2 2.67Å; L886-E892 HydrophobicContact CD2-CB 4.05Å; L886-E892 HydrophobicContact CD2-CG 4.01Å; L886-E892 WeakPolarHBondContact CD2-O 3.27Å; L889-E892 HydrophobicContact CB-CB 4.05Å; P890-E892 VanDerWaalsContact C-N 3.32Å; E892-V894 HydrophobicContact CG-CG2 4.06Å
893R93.2Very high89.1Confident6 Ų647 Ų472%0.02321%0.213CC..EExtended strand (participates in β ladder)trans-132.6134.9163.870.6-179.3177.6142.45.2109.8Y850 L851 T852 V862 T863 L864 S1041 D1042Y850-R893 HydrophobicContact CD1-CB 4.39Å; Y850-R893 HydrophobicContact CD1-CG 3.83Å; Y850-R893 HydrophobicContact CE1-CG 4.5Å; Y850-R893 VanDerWaalsContact CE2-NH1 3.32Å; Y850-R893 HydrophobicContact CG-CB 4.49Å; Y850-R893 HydrophobicContact CG-CG 4.16Å; L851-R893 CarbonylContact O-C 3.47Å; L851-R893 WeakPolarHBondContact O-CA 3.44Å; T852-R893 HydrophobicContact CG2-CB 3.9Å; V862-R893 PolarHBondContact O-N 3.43Å; T863-R893 HydrophobicContact CG2-CG 4.11Å; T863-R893 PolarHBondContact OG1-NE 3.1Å; T863-R893 PolarHBondContact OG1-NH2 3.04Å; L864-R893 PolarHBondContact N-O 3Å; R893-S1041 PolarHBondContact NH2-O 3.06Å; R893-D1042 IonicContact CZ-OD1 3.94Å; R893-D1042 IonicContact NH1-OD1 2.87Å; R893-D1042 PolarHBondContact NH1-OD1 3.23Å; R893-D1042 IonicContact NH2-OD1 3.36Å; R893-D1042 PolarHBondContact NH2-OD1 2.93Å
894V94.3Very high88.6Confident0 Ų048.7 Ų48.70%022%0.222CC..EExtended strand (participates in β ladder)trans-113.3123.5-172.9-179.60000111Y850 L851 L864 V866 A882 L886 E892 L896Y850-V894 WeakPolarHBondContact CA-O 3.15Å; L851-V894 PolarHBondContact N-O 3.07Å; L851-V894 PolarHBondContact O-N 3.28Å; L864-V894 HydrophobicContact CB-CG2 4.35Å; L864-V894 HydrophobicContact CD2-CG2 4.36Å; L864-V894 CarbonylContact O-C 3.49Å; L864-V894 WeakPolarHBondContact O-CA 3.5Å; V866-V894 HydrophobicContact CG2-CG1 4.09Å; A882-V894 HydrophobicContact CB-CG1 4.2Å; L886-V894 HydrophobicContact CD1-CB 4.19Å; L886-V894 HydrophobicContact CD1-CG2 3.96Å; L886-V894 HydrophobicContact CD2-CG2 3.89Å; L886-V894 HydrophobicContact CG-CG2 3.84Å; E892-V894 HydrophobicContact CG-CG2 4.06Å; V894-L896 HydrophobicContact CG1-CD2 4.2Å
895G94.3Very high88.1Confident0 Ų051.8 Ų51.80%024%0.239CC..EExtended strand (participates in β ladder)trans-102.1150.4166.400000111.4L864 W865 V866L864-G895 PolarHBondContact O-N 3.19Å; W865-G895 WeakPolarHBondContact CA-O 3.43Å; V866-G895 PolarHBondContact N-O 3.38Å
896L94.8Very high87.7Confident3 Ų355.6 Ų55.62%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-112.1138.2179.5-56.4179.8000109.7R848 L851 Y879 I883 V894 I914R848-L896 VanDerWaalsContact CD-O 3.31Å; R848-L896 WeakPolarHBondContact CD-O 3.43Å; L851-L896 HydrophobicContact CD1-CD1 4.48Å; Y879-L896 HydrophobicContact CD1-CD2 4.06Å; Y879-L896 HydrophobicContact CD2-CD1 4.15Å; Y879-L896 HydrophobicContact CD2-CD2 4.04Å; Y879-L896 HydrophobicContact CE1-CB 4.5Å; Y879-L896 HydrophobicContact CE1-CD2 4.01Å; Y879-L896 HydrophobicContact CE2-CB 4.01Å; Y879-L896 HydrophobicContact CE2-CD1 3.96Å; Y879-L896 HydrophobicContact CE2-CD2 4.02Å; Y879-L896 HydrophobicContact CE2-CG 4.21Å; Y879-L896 HydrophobicContact CG-CD2 4.05Å; I883-L896 HydrophobicContact CD1-CD1 4.43Å; V894-L896 HydrophobicContact CG1-CD2 4.2Å; L896-I914 HydrophobicContact CD1-CG2 3.96Å
897I94.1Very high87.4Confident0 Ų055.5 Ų55.50%026%0.261CS..EExtended strand (participates in β ladder)trans-133.8117.5-179.7-63.5-178.8000109.7I844 W865 V866 V867 A868 Y879 N899 D971I844-I897 HydrophobicContact CG2-CD1 4.24Å; W865-I897 HydrophobicContact CB-CD1 3.83Å; W865-I897 HydrophobicContact CB-CG1 4.4Å; W865-I897 HydrophobicContact CD2-CD1 3.86Å; W865-I897 HydrophobicContact CE3-CD1 3.59Å; W865-I897 HydrophobicContact CG-CD1 4.02Å; W865-I897 HydrophobicContact CZ3-CD1 4.35Å; V866-I897 PolarHBondContact O-N 3.1Å; V867-I897 WeakPolarHBondContact CA-O 3.16Å; V867-I897 HydrophobicContact CG2-CB 3.99Å; V867-I897 HydrophobicContact CG2-CD1 4.46Å; V867-I897 HydrophobicContact CG2-CG2 4.06Å; A868-I897 PolarHBondContact N-O 2.93Å; Y879-I897 VanDerWaalsContact OH-C 3.29Å; Y879-I897 PolarHBondContact OH-N 3.33Å; Y879-I897 PolarHBondContact OH-O 3.39Å; Y879-I897 VanDerWaalsContact OH-O 3.12Å; I897-N899 PolarHBondContact O-N 3.19Å; I897-D971 WeakPolarHBondContact CA-OD2 3.38Å; I897-D971 HydrophobicContact CG2-CB 3.94Å
898H93.1Very high87.3Confident0 Ų050 Ų500%024%0.237CC..EExtended strand (participates in β ladder)trans-87.8102.5-170.4-61.5-78.8000113.4Y879 I900 A911 V968 D971 S972Y879-H898 AromaticContact CE2-CE1 3.83Å; Y879-H898 PolarHBondContact OH-ND1 3.44Å; H898-I900 HydrophobicContact CB-CD1 4.19Å; H898-I900 HydrophobicContact CB-CG1 4.2Å; H898-I900 PolarHBondContact O-N 3.39Å; H898-A911 HydrophobicContact CB-CB 4.07Å; H898-A911 WeakPolarHBondContact ND1-CB 3.33Å; H898-V968 HydrophobicContact CB-CG1 4.04Å; H898-D971 HydrophobicContact CB-CB 4.22Å; H898-D971 IonicContact CD2-OD2 3.67Å; H898-D971 PolarHBondContact N-OD2 3.47Å; H898-D971 CarbonylContact O-C 3.5Å; H898-D971 VanDerWaalsContact O-CB 3.27Å; H898-D971 WeakPolarHBondContact O-CB 3.15Å; H898-S972 PolarHBondContact O-N 2.82Å; H898-S972 VanDerWaalsContact O-N 3.14Å; H898-S972 PolarHBondContact O-OG 3.21Å
899N92.8Very high87.2Confident0 Ų046.2 Ų46.20%023%0.228CC..  trans-94.876178.4-179.118.6000112.3V867 A868 N869 I897 P982 G984 K985V867-N899 HydrophobicContact CG1-CB 3.56Å; A868-N899 PolarHBondContact O-N 3.42Å; N869-N899 WeakPolarHBondContact CB-O 3.37Å; I897-N899 PolarHBondContact O-N 3.19Å; N899-P982 PolarHBondContact ND2-O 2.87Å; N899-G984 WeakPolarHBondContact O-CA 3.27Å; N899-G984 PolarHBondContact O-N 2.83Å; N899-G984 PolarHBondContact OD1-N 3.48Å; N899-K985 PolarHBondContact ND2-O 3.09Å
900I89.5Confident87.2Confident1 Ų146.4 Ų46.41%0.00523%0.229CC..  trans-108.2133.6-167.8-52.4-166.6000111.5V870 H898 R902 D904 G907 Y908 A911 V968 S972V870-I900 HydrophobicContact CG1-CD1 4.3Å; H898-I900 HydrophobicContact CB-CD1 4.19Å; H898-I900 HydrophobicContact CB-CG1 4.2Å; H898-I900 PolarHBondContact O-N 3.39Å; I900-R902 PolarHBondContact O-N 3.48Å; I900-D904 HydrophobicContact CG2-CB 3.92Å; I900-G907 VanDerWaalsContact CD1-C 3.44Å; I900-G907 WeakPolarHBondContact CD1-O 3.39Å; I900-Y908 HydrophobicContact CB-CD2 4.09Å; I900-Y908 HydrophobicContact CB-CE2 3.85Å; I900-Y908 HydrophobicContact CG2-CD2 3.49Å; I900-Y908 VanDerWaalsContact CG2-CD2 3.49Å; I900-Y908 HydrophobicContact CG2-CE2 3.64Å; I900-A911 HydrophobicContact CD1-CB 3.5Å; I900-A911 VanDerWaalsContact CD1-CB 3.5Å; I900-V968 HydrophobicContact CB-CG1 4.5Å; I900-V968 HydrophobicContact CD1-CG1 4.08Å; I900-V968 HydrophobicContact CG1-CG1 4.38Å; I900-S972 PolarHBondContact N-OG 2.94Å; I900-S972 PolarHBondContact O-OG 3.31Å
901A82.2Confident87.3Confident34 Ų3443.5 Ų43.528%0.28121%0.21SC..  trans-66.3133.6177.400000110.3K903 D904A901-K903 PolarHBondContact O-N 3.25Å; A901-D904 HydrophobicContact CB-CB 4.42Å; A901-D904 WeakPolarHBondContact O-CB 3.34Å; A901-D904 PolarHBondContact O-N 3.39Å
902R72.6Confident87.1Confident209 Ų20941.7 Ų41.779%0.78920%0.201SC*.THydrogen-bonded Turntrans-55.7-9.5-177.8-88.5-177.4162.5-156-11116.9I900I900-R902 PolarHBondContact O-N 3.48Å
903K78.2Confident86.9Confident201 Ų20141.8 Ų41.887%0.87420%0.202SC*.THydrogen-bonded Turntrans-98.1-13175.2-65.9-171174.7-169.40113.3A901 K905A901-K903 PolarHBondContact O-N 3.25Å; K903-K905 PolarHBondContact O-N 3.08Å; K903-K905 VanDerWaalsContact O-N 3.11Å
904D81.8Confident86.7Confident40 Ų4041.5 Ų41.521%0.21420%0.201CC..  trans-87.176.5-172.1-172.7-5.3000111N869 A871 I900 A901 V906 G907 Y908N869-D904 PolarHBondContact ND2-OD2 3Å; A871-D904 VanDerWaalsContact CB-OD2 3.27Å; A871-D904 WeakPolarHBondContact CB-OD2 3.42Å; I900-D904 HydrophobicContact CG2-CB 3.92Å; A901-D904 HydrophobicContact CB-CB 4.42Å; A901-D904 WeakPolarHBondContact O-CB 3.34Å; A901-D904 PolarHBondContact O-N 3.39Å; D904-V906 PolarHBondContact O-N 2.99Å; D904-G907 PolarHBondContact O-N 2.96Å; D904-G907 PolarHBondContact OD1-N 3.35Å; D904-Y908 WeakPolarHBondContact O-CD2 3.36Å; D904-Y908 PolarHBondContact O-N 3.07Å; D904-Y908 VanDerWaalsContact O-N 3.07Å
905K80.9Confident86.4Confident183 Ų18342.4 Ų42.480%0.79621%0.205SC*.Hα-helixtrans-56.5-33.8179.2-67.6-171.4176.2-172.70112.8K903 Y908 A909K903-K905 PolarHBondContact O-N 3.08Å; K903-K905 VanDerWaalsContact O-N 3.11Å; K905-Y908 PolarHBondContact O-N 3.24Å; K905-A909 PolarHBondContact O-N 2.94Å; K905-A909 VanDerWaalsContact O-N 3.09Å
906V82Confident86Confident80 Ų8042.7 Ų42.749%0.48521%0.207SC..Hα-helixtrans-71.4-45.2-178.7-178.70000110.2D904 Y908 A909 I910D904-V906 PolarHBondContact O-N 2.99Å; V906-Y908 VanDerWaalsContact C-N 3.34Å; V906-Y908 PolarHBondContact O-N 2.72Å; V906-A909 PolarHBondContact O-N 3.14Å; V906-I910 HydrophobicContact CG1-CD1 3.9Å; V906-I910 WeakPolarHBondContact O-CG1 3.19Å; V906-I910 PolarHBondContact O-N 3.09Å; V906-I910 VanDerWaalsContact O-N 3.07Å
907G84Confident85.7Confident0 Ų042.5 Ų42.50%021%0.206CC..Hα-helixtrans-57.9-44.5172.200000112.6I900 D904 A909 I910 A911I900-G907 VanDerWaalsContact CD1-C 3.44Å; I900-G907 WeakPolarHBondContact CD1-O 3.39Å; D904-G907 PolarHBondContact O-N 2.96Å; D904-G907 PolarHBondContact OD1-N 3.35Å; G907-A909 PolarHBondContact O-N 3.41Å; G907-I910 PolarHBondContact O-N 3.26Å; G907-A911 VanDerWaalsContact O-CB 3.29Å; G907-A911 WeakPolarHBondContact O-CB 3.37Å; G907-A911 PolarHBondContact O-N 3.23Å
908Y85.5Confident85.5Confident38 Ų3842.9 Ų42.915%0.14921%0.208CC..Hα-helixtrans-60.4-41.4177.1-94.9-96.9000112.9I900 D904 K905 V906 S912 V968 A969I900-Y908 HydrophobicContact CB-CD2 4.09Å; I900-Y908 HydrophobicContact CB-CE2 3.85Å; I900-Y908 HydrophobicContact CG2-CD2 3.49Å; I900-Y908 VanDerWaalsContact CG2-CD2 3.49Å; I900-Y908 HydrophobicContact CG2-CE2 3.64Å; D904-Y908 WeakPolarHBondContact O-CD2 3.36Å; D904-Y908 PolarHBondContact O-N 3.07Å; D904-Y908 VanDerWaalsContact O-N 3.07Å; K905-Y908 PolarHBondContact O-N 3.24Å; V906-Y908 VanDerWaalsContact C-N 3.34Å; V906-Y908 PolarHBondContact O-N 2.72Å; Y908-S912 WeakPolarHBondContact O-CB 3.34Å; Y908-S912 PolarHBondContact O-N 3.17Å; Y908-S912 PolarHBondContact O-OG 3.08Å; Y908-V968 HydrophobicContact CD1-CB 4.14Å; Y908-V968 HydrophobicContact CD1-CG1 3.76Å; Y908-V968 HydrophobicContact CE1-CB 4.03Å; Y908-V968 HydrophobicContact CE1-CG1 3.68Å; Y908-V968 HydrophobicContact CG-CG1 4.24Å; Y908-A969 HydrophobicContact CE1-CB 4.18Å
909A83.2Confident85.2Confident50 Ų5047.8 Ų47.841%0.41323%0.229SC..Hα-helixtrans-64-50176.400000111.9K905 V906 G907 A911 S912 L913K905-A909 PolarHBondContact O-N 2.94Å; K905-A909 VanDerWaalsContact O-N 3.09Å; V906-A909 PolarHBondContact O-N 3.14Å; G907-A909 PolarHBondContact O-N 3.41Å; A909-A911 VanDerWaalsContact C-N 3.34Å; A909-A911 PolarHBondContact O-N 2.84Å; A909-S912 PolarHBondContact O-N 3.5Å; A909-L913 PolarHBondContact O-N 3.46Å
910I86.9Confident84.9Confident14 Ų1448 Ų487%0.07223%0.231CC..Hα-helixtrans-63.1-40.5-180-61.5166000111.1V870 V906 G907 L913 I914 K938V870-I910 HydrophobicContact CB-CG2 4.42Å; V870-I910 HydrophobicContact CG1-CB 3.9Å; V870-I910 HydrophobicContact CG1-CG2 3.59Å; V870-I910 HydrophobicContact CG2-CG2 3.98Å; V906-I910 HydrophobicContact CG1-CD1 3.9Å; V906-I910 WeakPolarHBondContact O-CG1 3.19Å; V906-I910 PolarHBondContact O-N 3.09Å; V906-I910 VanDerWaalsContact O-N 3.07Å; G907-I910 PolarHBondContact O-N 3.26Å; I910-L913 PolarHBondContact O-N 2.88Å; I910-I914 HydrophobicContact CG2-CD1 4.38Å; I910-I914 WeakPolarHBondContact O-CG1 3.43Å; I910-I914 PolarHBondContact O-N 3.45Å; I910-K938 HydrophobicContact CD1-CG 4.39Å
911A88.6Confident84.7Confident0 Ų050.9 Ų50.90%025%0.249CC..Hα-helixtrans-67.2-39.6176.600000112.9V870 H898 I900 G907 A909 L913 I914 Q915 V968V870-A911 HydrophobicContact CG1-CB 4.32Å; H898-A911 HydrophobicContact CB-CB 4.07Å; H898-A911 WeakPolarHBondContact ND1-CB 3.33Å; I900-A911 HydrophobicContact CD1-CB 3.5Å; I900-A911 VanDerWaalsContact CD1-CB 3.5Å; G907-A911 VanDerWaalsContact O-CB 3.29Å; G907-A911 WeakPolarHBondContact O-CB 3.37Å; G907-A911 PolarHBondContact O-N 3.23Å; A909-A911 VanDerWaalsContact C-N 3.34Å; A909-A911 PolarHBondContact O-N 2.84Å; A911-L913 VanDerWaalsContact C-N 3.28Å; A911-L913 PolarHBondContact O-N 3.42Å; A911-I914 PolarHBondContact O-N 3.04Å; A911-Q915 WeakPolarHBondContact O-CB 3.41Å; A911-Q915 PolarHBondContact O-N 3.35Å; A911-V968 HydrophobicContact CB-CB 4.49Å; A911-V968 HydrophobicContact CB-CG1 3.87Å; A911-V968 HydrophobicContact CB-CG2 3.71Å
912S86Confident84.8Confident15 Ų1550.8 Ų50.811%0.10524%0.244CC..Hα-helixtrans-63.2-37.3173.9-57.40000111.3Y908 A909 Q915 A916Y908-S912 WeakPolarHBondContact O-CB 3.34Å; Y908-S912 PolarHBondContact O-N 3.17Å; Y908-S912 PolarHBondContact O-OG 3.08Å; A909-S912 PolarHBondContact O-N 3.5Å; S912-Q915 PolarHBondContact O-N 3.2Å; S912-A916 PolarHBondContact O-N 2.84Å
913L86.8Confident85.3Confident4 Ų445.5 Ų45.52%0.02123%0.228CC..Hα-helixtrans-67.1-41.1174.1-171.559.5000112.3A909 I910 A911 Q915 A916 C917 M932 M940 L943 L956 L960A909-L913 PolarHBondContact O-N 3.46Å; I910-L913 PolarHBondContact O-N 2.88Å; A911-L913 VanDerWaalsContact C-N 3.28Å; A911-L913 PolarHBondContact O-N 3.42Å; L913-Q915 VanDerWaalsContact C-N 3.34Å; L913-Q915 PolarHBondContact O-N 3.28Å; L913-A916 PolarHBondContact O-N 3.11Å; L913-C917 PolarHBondContact O-N 3.36Å; L913-C917 PolarHBondContact O-SG 3.2Å; L913-M932 HydrophobicContact CD2-SD 3.54Å; L913-M932 VanDerWaalsContact CD2-SD 3.54Å; L913-M932 HydrophobicContact CG-CE 4.38Å; L913-M932 HydrophobicContact CG-SD 3.8Å; L913-M940 HydrophobicContact CD1-SD 3.87Å; L913-L943 HydrophobicContact CD1-CD2 4.14Å; L913-L943 HydrophobicContact CD2-CD2 4.31Å; L913-L943 HydrophobicContact CG-CD2 4.3Å; L913-L956 HydrophobicContact CD1-CD2 3.95Å; L913-L960 HydrophobicContact CB-CD1 4.42Å; L913-L960 HydrophobicContact CD1-CD1 4.36Å; L913-L960 HydrophobicContact CD1-CD2 4.12Å
914I89.2Confident85.7Confident0 Ų037.4 Ų37.40%019%0.193CC..Hα-helixtrans-59.1-45.3170.5-70.7172.7000110.8V870 Y879 L896 I910 A911 A916 C917 L918 I929 M932V870-I914 HydrophobicContact CB-CD1 4.44Å; V870-I914 HydrophobicContact CG1-CD1 4.38Å; V870-I914 HydrophobicContact CG2-CD1 3.81Å; Y879-I914 HydrophobicContact CD2-CD1 4.41Å; Y879-I914 HydrophobicContact CE2-CD1 4.27Å; L896-I914 HydrophobicContact CD1-CG2 3.96Å; I910-I914 HydrophobicContact CG2-CD1 4.38Å; I910-I914 WeakPolarHBondContact O-CG1 3.43Å; I910-I914 PolarHBondContact O-N 3.45Å; A911-I914 PolarHBondContact O-N 3.04Å; I914-A916 VanDerWaalsContact C-N 3.29Å; I914-A916 PolarHBondContact O-N 3.19Å; I914-C917 WeakPolarHBondContact O-CB 3.24Å; I914-C917 PolarHBondContact O-N 3.46Å; I914-C917 VanDerWaalsContact O-N 3.12Å; I914-L918 HydrophobicContact CG2-CD1 4.11Å; I914-L918 HydrophobicContact CG2-CG 4.38Å; I914-L918 WeakPolarHBondContact O-CG 3.49Å; I914-L918 PolarHBondContact O-N 3.42Å; I914-I929 HydrophobicContact CG2-CD1 4.2Å; I914-M932 HydrophobicContact CB-CE 4.36Å; I914-M932 HydrophobicContact CD1-CE 4.18Å; I914-M932 HydrophobicContact CG1-CE 3.26Å
915Q87.9Confident86Confident19 Ų1935.5 Ų35.59%0.08918%0.183CC..Hα-helixtrans-66.8-30.5-178.2-168.262.96.700112.7A911 S912 L913 I967A911-Q915 WeakPolarHBondContact O-CB 3.41Å; A911-Q915 PolarHBondContact O-N 3.35Å; S912-Q915 PolarHBondContact O-N 3.2Å; L913-Q915 VanDerWaalsContact C-N 3.34Å; L913-Q915 PolarHBondContact O-N 3.28Å; Q915-I967 HydrophobicContact CG-CD1 4.12Å; Q915-I967 HydrophobicContact CG-CG2 4.29Å
916A86.2Confident86.4Confident5 Ų528.7 Ų28.74%0.04115%0.154CC..Hα-helixtrans-70.5-44.4167.900000111.9S912 L913 I914 L918 K919 L956 E959 L960S912-A916 PolarHBondContact O-N 2.84Å; L913-A916 PolarHBondContact O-N 3.11Å; I914-A916 VanDerWaalsContact C-N 3.29Å; I914-A916 PolarHBondContact O-N 3.19Å; A916-L918 PolarHBondContact O-N 3.4Å; A916-K919 WeakPolarHBondContact O-CB 3.45Å; A916-K919 PolarHBondContact O-N 2.71Å; A916-L956 HydrophobicContact CB-CD2 4.19Å; A916-L956 HydrophobicContact CB-CG 4.26Å; A916-E959 HydrophobicContact CB-CB 4.35Å; A916-L960 HydrophobicContact CB-CB 4.19Å; A916-L960 HydrophobicContact CB-CD1 4.39Å
917C88.7Confident86.7Confident0 Ų028.1 Ų28.10%015%0.15CC..Hα-helixtrans-57.2-37.1174.6-65.70000112.3L913 I914 K919 L920 A925 V928 I929 L956L913-C917 PolarHBondContact O-N 3.36Å; L913-C917 PolarHBondContact O-SG 3.2Å; I914-C917 WeakPolarHBondContact O-CB 3.24Å; I914-C917 PolarHBondContact O-N 3.46Å; I914-C917 VanDerWaalsContact O-N 3.12Å; C917-K919 PolarHBondContact O-N 3.09Å; C917-K919 VanDerWaalsContact O-N 3.1Å; C917-L920 WeakPolarHBondContact O-CB 3.49Å; C917-L920 PolarHBondContact O-N 2.93Å; C917-L920 VanDerWaalsContact O-N 3.13Å; C917-A925 VanDerWaalsContact O-CB 3.26Å; C917-A925 WeakPolarHBondContact O-CB 3.48Å; C917-V928 HydrophobicContact CB-CG1 4.42Å; C917-I929 HydrophobicContact CB-CD1 3.97Å; C917-I929 HydrophobicContact CB-CG1 3.67Å; C917-L956 HydrophobicContact CB-CD1 4.45Å
918L88.7Confident86.9Confident8 Ų828.1 Ų28.14%0.04215%0.15CC..THydrogen-bonded Turntrans-66.5-3.7175.5-72.1173.4000114.2R849 L851 I914 A916 I929R849-L918 WeakPolarHBondContact CD-O 3.17Å; R849-L918 PolarHBondContact NH1-O 3.44Å; L851-L918 HydrophobicContact CD1-CD2 4.48Å; L851-L918 HydrophobicContact CD2-CD2 3.88Å; L851-L918 HydrophobicContact CG-CD2 4.16Å; I914-L918 HydrophobicContact CG2-CD1 4.11Å; I914-L918 HydrophobicContact CG2-CG 4.38Å; I914-L918 WeakPolarHBondContact O-CG 3.49Å; I914-L918 PolarHBondContact O-N 3.42Å; A916-L918 PolarHBondContact O-N 3.4Å; L918-I929 HydrophobicContact CD2-CD1 3.69Å; L918-I929 HydrophobicContact CG-CD1 3.88Å
919K87.1Confident87.1Confident102 Ų10226.3 Ų26.344%0.44314%0.143SC..THydrogen-bonded Turntrans-87.5-21.9169.9-60-58.4-172177.70113.9R849 A916 C917 F955 E959R849-K919 VanDerWaalsContact NH1-C 3.27Å; R849-K919 PolarHBondContact NH1-O 2.99Å; A916-K919 WeakPolarHBondContact O-CB 3.45Å; A916-K919 PolarHBondContact O-N 2.71Å; C917-K919 PolarHBondContact O-N 3.09Å; C917-K919 VanDerWaalsContact O-N 3.1Å; K919-F955 HydrophobicContact CB-CE1 3.89Å; K919-F955 HydrophobicContact CB-CZ 4.16Å; K919-E959 HydrophobicContact CB-CG 4.23Å; K919-E959 HydrophobicContact CG-CG 4.21Å
920L87.1Confident87.5Confident5 Ų525 Ų253%0.02613%0.13CC..SBendtrans-60.7167173.3-64.1177.8000112.6R849 C917 Q924 A925 V928 V951 F955 L956R849-L920 PolarHBondContact NH1-O 3.31Å; C917-L920 WeakPolarHBondContact O-CB 3.49Å; C917-L920 PolarHBondContact O-N 2.93Å; C917-L920 VanDerWaalsContact O-N 3.13Å; L920-Q924 HydrophobicContact CB-CB 4.22Å; L920-Q924 HydrophobicContact CD1-CB 4.31Å; L920-A925 HydrophobicContact CB-CB 4.31Å; L920-V928 HydrophobicContact CD1-CG2 4.1Å; L920-V951 HydrophobicContact CD1-CG1 3.87Å; L920-V951 HydrophobicContact CD1-CG2 4.28Å; L920-V951 HydrophobicContact CD2-CG1 4.21Å; L920-F955 HydrophobicContact CD2-CD1 4.3Å; L920-L956 HydrophobicContact CD1-CD1 3.68Å; L920-L956 HydrophobicContact CD2-CD1 4.21Å; L920-L956 HydrophobicContact CG-CD1 3.92Å
921P85.7Confident87.6Confident61 Ų6127.9 Ų27.940%0.39614%0.142SC..  trans-49.9144.3163.1-26.535.4000112.1H923 Q924 A925P921-H923 PolarHBondContact O-N 3.03Å; P921-Q924 HydrophobicContact CB-CG 4.21Å; P921-Q924 HydrophobicContact CG-CG 4.49Å; P921-Q924 WeakPolarHBondContact O-CB 3.4Å; P921-Q924 PolarHBondContact O-N 3.24Å; P921-A925 PolarHBondContact O-N 2.91Å
922L83.9Confident87.5Confident33 Ų3328 Ų2817%0.17314%0.143CC..Hα-helixtrans-63.6-40.6-165.9-78.1172.1000113.3R849 Y850 L851 D855 Q924 A925 K926R849-L922 HydrophobicContact CG-CD2 4.14Å; Y850-L922 VanDerWaalsContact O-CD2 3.3Å; Y850-L922 WeakPolarHBondContact O-CD2 3.31Å; L851-L922 HydrophobicContact CD2-CD2 4.35Å; D855-L922 WeakPolarHBondContact OD1-CB 3.5Å; D855-L922 PolarHBondContact OD2-N 2.91Å; L922-Q924 VanDerWaalsContact C-N 3.32Å; L922-Q924 PolarHBondContact O-N 2.88Å; L922-A925 PolarHBondContact O-N 2.6Å; L922-K926 WeakPolarHBondContact O-CB 3.5Å; L922-K926 PolarHBondContact O-N 2.8Å
923H83.4Confident87.6Confident97 Ų9727.9 Ų27.945%0.44914%0.141SC..Hα-helixtrans-59.3-40.8173.264.3-83.3000112.5D855 P921 V927D855-H923 PolarHBondContact OD1-N 3.42Å; D855-H923 IonicContact OD2-CE1 3.39Å; D855-H923 IonicContact OD2-CG 2.71Å; D855-H923 PolarHBondContact OD2-N 2.87Å; D855-H923 IonicContact OD2-ND1 2.68Å; D855-H923 PolarHBondContact OD2-ND1 3.22Å; P921-H923 PolarHBondContact O-N 3.03Å; H923-V927 WeakPolarHBondContact O-CG2 3.47Å; H923-V927 PolarHBondContact O-N 3.35Å
924Q86.3Confident87.6Confident32 Ų3231.8 Ų31.815%0.1516%0.159CC..Hα-helixtrans-68.1-51.9176.4-59-171.9-5.500111L920 P921 L922 K926 V927 V928 G950L920-Q924 HydrophobicContact CB-CB 4.22Å; L920-Q924 HydrophobicContact CD1-CB 4.31Å; P921-Q924 HydrophobicContact CB-CG 4.21Å; P921-Q924 HydrophobicContact CG-CG 4.49Å; P921-Q924 WeakPolarHBondContact O-CB 3.4Å; P921-Q924 PolarHBondContact O-N 3.24Å; L922-Q924 VanDerWaalsContact C-N 3.32Å; L922-Q924 PolarHBondContact O-N 2.88Å; Q924-K926 PolarHBondContact O-N 2.87Å; Q924-V927 PolarHBondContact O-N 3.18Å; Q924-V928 VanDerWaalsContact O-CG2 3.28Å; Q924-V928 WeakPolarHBondContact O-CG2 3.35Å; Q924-V928 PolarHBondContact O-N 3.16Å; Q924-G950 PolarHBondContact NE2-O 3.36Å; Q924-G950 PolarHBondContact OE1-O 3.41Å
925A88.2Confident87.4Confident0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-51.3-45.9179.700000111.5L851 C917 L920 P921 L922 I929L851-A925 HydrophobicContact CD2-CB 4.29Å; C917-A925 VanDerWaalsContact O-CB 3.26Å; C917-A925 WeakPolarHBondContact O-CB 3.48Å; L920-A925 HydrophobicContact CB-CB 4.31Å; P921-A925 PolarHBondContact O-N 2.91Å; L922-A925 PolarHBondContact O-N 2.6Å; A925-I929 VanDerWaalsContact O-CB 3.3Å; A925-I929 WeakPolarHBondContact O-CB 3.46Å; A925-I929 WeakPolarHBondContact O-CD1 3.37Å; A925-I929 WeakPolarHBondContact O-CG1 3.25Å; A925-I929 PolarHBondContact O-N 3Å
926K89.3Confident87.2Confident40 Ų4042.7 Ų42.717%0.17421%0.208CC..Hα-helixtrans-58.5-48.5175.2-179.1172.157.1-170.30112.8L851 T852 K853 I883 L922 Q924 T930L851-K926 HydrophobicContact CD2-CB 4.27Å; T852-K926 PolarHBondContact O-NZ 3.2Å; K853-K926 PolarHBondContact O-NZ 2.99Å; I883-K926 HydrophobicContact CG2-CG 4.24Å; L922-K926 WeakPolarHBondContact O-CB 3.5Å; L922-K926 PolarHBondContact O-N 2.8Å; Q924-K926 PolarHBondContact O-N 2.87Å; K926-T930 VanDerWaalsContact O-CB 3.32Å; K926-T930 WeakPolarHBondContact O-CB 3.47Å; K926-T930 PolarHBondContact O-N 2.95Å; K926-T930 PolarHBondContact O-OG1 2.94Å
927V88Confident86.8Confident67 Ų6743.3 Ų43.341%0.40621%0.21SC..Hα-helixtrans-67-44.2-179.3171.50000111.6H923 Q924 T930 K931 I948H923-V927 WeakPolarHBondContact O-CG2 3.47Å; H923-V927 PolarHBondContact O-N 3.35Å; Q924-V927 PolarHBondContact O-N 3.18Å; V927-T930 PolarHBondContact O-N 3.25Å; V927-K931 HydrophobicContact CG1-CD 4.38Å; V927-K931 PolarHBondContact O-N 2.86Å; V927-I948 HydrophobicContact CG1-CG2 4.27Å
928V88.8Confident86.1Confident0 Ų049.5 Ų49.50%024%0.237CC..Hα-helixtrans-62.3-51.9178.9176.60000110.6C917 L920 Q924 T930 K931 M932 L943 I948 V951C917-V928 HydrophobicContact CB-CG1 4.42Å; L920-V928 HydrophobicContact CD1-CG2 4.1Å; Q924-V928 VanDerWaalsContact O-CG2 3.28Å; Q924-V928 WeakPolarHBondContact O-CG2 3.35Å; Q924-V928 PolarHBondContact O-N 3.16Å; V928-T930 VanDerWaalsContact C-N 3.33Å; V928-T930 PolarHBondContact O-N 3.17Å; V928-K931 PolarHBondContact O-N 3.36Å; V928-M932 VanDerWaalsContact O-CB 3.29Å; V928-M932 WeakPolarHBondContact O-CB 3.45Å; V928-M932 PolarHBondContact O-N 2.56Å; V928-L943 HydrophobicContact CG1-CD1 3.94Å; V928-L943 HydrophobicContact CG1-CD2 3.92Å; V928-L943 HydrophobicContact CG1-CG 4.27Å; V928-I948 HydrophobicContact CB-CD1 4.34Å; V928-I948 HydrophobicContact CG1-CD1 4.42Å; V928-I948 HydrophobicContact CG2-CD1 3.9Å; V928-I948 HydrophobicContact CG2-CG2 4.13Å; V928-V951 HydrophobicContact CG2-CG2 3.72Å
929I90.1Very high85.6Confident0 Ų051 Ų510%025%0.248CC..Hα-helixtrans-63.5-39.1179.7-64.4164.2000111I883 I914 C917 L918 A925 M932 L933I883-I929 HydrophobicContact CD1-CG2 3.75Å; I914-I929 HydrophobicContact CG2-CD1 4.2Å; C917-I929 HydrophobicContact CB-CD1 3.97Å; C917-I929 HydrophobicContact CB-CG1 3.67Å; L918-I929 HydrophobicContact CD2-CD1 3.69Å; L918-I929 HydrophobicContact CG-CD1 3.88Å; A925-I929 VanDerWaalsContact O-CB 3.3Å; A925-I929 WeakPolarHBondContact O-CB 3.46Å; A925-I929 WeakPolarHBondContact O-CD1 3.37Å; A925-I929 WeakPolarHBondContact O-CG1 3.25Å; A925-I929 PolarHBondContact O-N 3Å; I929-M932 PolarHBondContact O-N 2.99Å; I929-L933 HydrophobicContact CG2-CD1 3.9Å; I929-L933 HydrophobicContact CG2-CG 4.33Å; I929-L933 WeakPolarHBondContact O-CG 3.25Å; I929-L933 PolarHBondContact O-N 3.26Å
930T90.5Very high85.1Confident24 Ų2447 Ų4715%0.14723%0.232CC..Hα-helixtrans-60.4-53.8175.8-55.80000111.2I883 K926 V927 V928 M932 L933 E934I883-T930 VanDerWaalsContact CG2-OG1 3.25Å; I883-T930 WeakPolarHBondContact CG2-OG1 3.34Å; K926-T930 VanDerWaalsContact O-CB 3.32Å; K926-T930 WeakPolarHBondContact O-CB 3.47Å; K926-T930 PolarHBondContact O-N 2.95Å; K926-T930 PolarHBondContact O-OG1 2.94Å; V927-T930 PolarHBondContact O-N 3.25Å; V928-T930 VanDerWaalsContact C-N 3.33Å; V928-T930 PolarHBondContact O-N 3.17Å; T930-M932 VanDerWaalsContact C-N 3.26Å; T930-M932 PolarHBondContact O-N 3.05Å; T930-L933 PolarHBondContact O-N 2.87Å; T930-E934 HydrophobicContact CG2-CG 4.37Å; T930-E934 WeakPolarHBondContact CG2-OE1 3.4Å; T930-E934 WeakPolarHBondContact O-CB 3.45Å; T930-E934 VanDerWaalsContact O-CG 3.29Å; T930-E934 WeakPolarHBondContact O-CG 3.25Å; T930-E934 PolarHBondContact O-N 2.93Å
931K88.4Confident84.6Confident74 Ų7452.6 Ų52.632%0.32226%0.258SS..Hα-helixtrans-58.9-37.7178-77.9-179.5170.6-175.10112.2V927 V928 K935 L946 I948V927-K931 HydrophobicContact CG1-CD 4.38Å; V927-K931 PolarHBondContact O-N 2.86Å; V928-K931 PolarHBondContact O-N 3.36Å; K931-K935 WeakPolarHBondContact O-CB 3.42Å; K931-K935 PolarHBondContact O-N 2.85Å; K931-L946 HydrophobicContact CB-CD1 4.1Å; K931-I948 HydrophobicContact CD-CD1 3.67Å; K931-I948 HydrophobicContact CD-CG1 4.03Å
932M88Confident84.3Confident3 Ų353.3 Ų53.32%0.01526%0.256CS..Hα-helixtrans-67.1-43.5-179.9-170.9168.571.100112.6L913 I914 V928 I929 T930 Q936 L937 L943L913-M932 HydrophobicContact CD2-SD 3.54Å; L913-M932 VanDerWaalsContact CD2-SD 3.54Å; L913-M932 HydrophobicContact CG-CE 4.38Å; L913-M932 HydrophobicContact CG-SD 3.8Å; I914-M932 HydrophobicContact CB-CE 4.36Å; I914-M932 HydrophobicContact CD1-CE 4.18Å; I914-M932 HydrophobicContact CG1-CE 3.26Å; V928-M932 VanDerWaalsContact O-CB 3.29Å; V928-M932 WeakPolarHBondContact O-CB 3.45Å; V928-M932 PolarHBondContact O-N 2.56Å; I929-M932 PolarHBondContact O-N 2.99Å; T930-M932 VanDerWaalsContact C-N 3.26Å; T930-M932 PolarHBondContact O-N 3.05Å; M932-Q936 PolarHBondContact O-N 3.22Å; M932-L937 HydrophobicContact CB-CD1 4.31Å; M932-L937 HydrophobicContact CG-CB 4.05Å; M932-L937 HydrophobicContact CG-CD1 4.14Å; M932-L937 HydrophobicContact CG-CG 4.34Å; M932-L937 PolarHBondContact O-N 3.26Å; M932-L943 HydrophobicContact CB-CD1 3.87Å; M932-L943 HydrophobicContact CG-CD1 3.99Å; M932-L943 HydrophobicContact SD-CD1 3.9Å; M932-L943 HydrophobicContact SD-CD2 4.16Å
933L88Confident84Confident11 Ų1151.8 Ų51.86%0.05825%0.247CC..Hα-helixtrans-67.2-44.2174.8-69170.2000111.4V870 R876 L880 I883 I929 T930 Q936V870-L933 HydrophobicContact CG2-CD2 3.58Å; R876-L933 HydrophobicContact CB-CD2 4.43Å; R876-L933 HydrophobicContact CG-CD2 4.06Å; L880-L933 HydrophobicContact CB-CB 4.46Å; L880-L933 HydrophobicContact CB-CD1 4.36Å; L880-L933 HydrophobicContact CD1-CB 4.08Å; I883-L933 HydrophobicContact CD1-CD1 3.87Å; I929-L933 HydrophobicContact CG2-CD1 3.9Å; I929-L933 HydrophobicContact CG2-CG 4.33Å; I929-L933 WeakPolarHBondContact O-CG 3.25Å; I929-L933 PolarHBondContact O-N 3.26Å; T930-L933 PolarHBondContact O-N 2.87Å; L933-Q936 PolarHBondContact O-N 3.45Å
934E87.2Confident83.7Confident87 Ų8750.1 Ų50.141%0.40724%0.24SC..Hα-helixtrans-60.6-46.3178.9-75.9174165.900112.5L880 R884 T930L880-E934 HydrophobicContact CD1-CB 4.45Å; L880-E934 HydrophobicContact CD1-CG 3.56Å; R884-E934 IonicContact CZ-OE1 2.75Å; R884-E934 IonicContact NE-OE1 2.85Å; R884-E934 IonicContact NH2-OE1 2.67Å; R884-E934 PolarHBondContact NH2-OE1 2.93Å; T930-E934 HydrophobicContact CG2-CG 4.37Å; T930-E934 WeakPolarHBondContact CG2-OE1 3.4Å; T930-E934 WeakPolarHBondContact O-CB 3.45Å; T930-E934 VanDerWaalsContact O-CG 3.29Å; T930-E934 WeakPolarHBondContact O-CG 3.25Å; T930-E934 PolarHBondContact O-N 2.93Å
935K85Confident83.5Confident134 Ų13455.9 Ų55.958%0.58327%0.265SS*.THydrogen-bonded Turntrans-88.41.8179.9-63-162.7179.4-1690114.5K931 L937 L946K931-K935 WeakPolarHBondContact O-CB 3.42Å; K931-K935 PolarHBondContact O-N 2.85Å; K935-L937 VanDerWaalsContact C-N 3.29Å; K935-L937 HydrophobicContact CB-CD2 3.56Å; K935-L937 HydrophobicContact CB-CG 4Å; K935-L937 PolarHBondContact O-N 3.22Å; K935-L946 HydrophobicContact CD-CD1 4.38Å; K935-L946 HydrophobicContact CD-CD2 3.62Å
936Q83Confident82.9Confident113 Ų11357.4 Ų57.453%0.52827%0.272SS..THydrogen-bonded Turntrans57.335176.1-50.3-169.628.600115M932 L933M932-Q936 PolarHBondContact O-N 3.22Å; L933-Q936 PolarHBondContact O-N 3.45Å
937L78.5Confident82.2Confident19 Ų1961.9 Ų61.910%0.09930%0.298CS..  trans-69.4150.2-175.5-38.8170.9000111.4M932 K935 E942 L943 L946M932-L937 HydrophobicContact CB-CD1 4.31Å; M932-L937 HydrophobicContact CG-CB 4.05Å; M932-L937 HydrophobicContact CG-CD1 4.14Å; M932-L937 HydrophobicContact CG-CG 4.34Å; M932-L937 PolarHBondContact O-N 3.26Å; K935-L937 VanDerWaalsContact C-N 3.29Å; K935-L937 HydrophobicContact CB-CD2 3.56Å; K935-L937 HydrophobicContact CB-CG 4Å; K935-L937 PolarHBondContact O-N 3.22Å; L937-E942 WeakPolarHBondContact CA-OE2 3.11Å; L937-E942 HydrophobicContact CB-CB 4.03Å; L937-E942 HydrophobicContact CD2-CB 4.22Å; L937-L943 HydrophobicContact CD1-CB 4.37Å; L937-L943 HydrophobicContact CD1-CD1 3.71Å; L937-L946 HydrophobicContact CD1-CD1 3.55Å; L937-L946 HydrophobicContact CD1-CG 4.39Å
938K74Confident81.7Confident129 Ų12959.3 Ų59.356%0.56128%0.282SS*.  trans-123.9-20.8-170.3-59.1171-168.4160.40113.6I910 E942I910-K938 HydrophobicContact CD1-CG 4.39Å; K938-E942 PolarHBondContact N-OE2 3.05Å
939S77.1Confident81.1Confident39 Ų3968.1 Ų68.127%0.27332%0.323SS..SBendtrans-130.2163.7-176.874.10000112.7E941 E942 L943S939-E941 VanDerWaalsContact C-N 3.35Å; S939-E942 PolarHBondContact O-N 3.04Å; S939-E942 WeakPolarHBondContact OG-CG 3.49Å; S939-E942 PolarHBondContact OG-N 3.18Å; S939-L943 PolarHBondContact O-N 2.73Å
940M75.9Confident80.3Confident20 Ų2070.5 Ų70.510%0.09935%0.347CS..Hα-helixtrans-60.4-44.1173.2-174.671.9-174.900111.5L913 E942 L943 E944 W953 L956 Q957 L960L913-M940 HydrophobicContact CD1-SD 3.87Å; M940-E942 VanDerWaalsContact C-N 3.26Å; M940-E942 PolarHBondContact O-N 2.7Å; M940-L943 WeakPolarHBondContact O-CA 3.45Å; M940-L943 WeakPolarHBondContact O-CB 3.43Å; M940-L943 PolarHBondContact O-N 2.75Å; M940-E944 HydrophobicContact CE-CG 3.85Å; M940-E944 WeakPolarHBondContact CE-OE1 3.5Å; M940-E944 HydrophobicContact CG-CG 4.23Å; M940-E944 VanDerWaalsContact CG-OE1 3.23Å; M940-E944 WeakPolarHBondContact CG-OE1 3.36Å; M940-E944 WeakPolarHBondContact O-CG 3.48Å; M940-E944 PolarHBondContact O-N 3.49Å; M940-W953 HydrophobicContact CE-CE3 3.92Å; M940-L956 HydrophobicContact CE-CB 4.34Å; M940-L956 HydrophobicContact CE-CD2 3.66Å; M940-L956 HydrophobicContact SD-CD2 3.46Å; M940-L956 WeakPolarHBondContact SD-CD2 3.45Å; M940-Q957 HydrophobicContact CE-CB 4.01Å; M940-Q957 HydrophobicContact CE-CG 4.38Å; M940-Q957 HydrophobicContact CG-CG 4.38Å; M940-L960 HydrophobicContact CB-CD2 4.3Å; M940-L960 HydrophobicContact SD-CD2 4.43Å
941E77.4Confident79.8Confident122 Ų12270 Ų7057%0.5734%0.344SS*.Hα-helixtrans-60.5-33.3179.6-59.3172.5-15100113.2S939 L943 K945S939-E941 VanDerWaalsContact C-N 3.35Å; E941-L943 VanDerWaalsContact C-N 3.31Å; E941-K945 WeakPolarHBondContact O-CD 3.3Å; E941-K945 VanDerWaalsContact O-CE 3.29Å; E941-K945 WeakPolarHBondContact O-CE 3.44Å; E941-K945 WeakPolarHBondContact O-CG 3.16Å; E941-K945 PolarHBondContact O-N 3.19Å; E941-K945 IonicContact OE2-NZ 3.81Å
942E78.6Confident79.6Confident76 Ų7670.5 Ų70.536%0.35535%0.35SS..Hα-helixtrans-72.4-27175.1-74175179.700112L937 K938 S939 M940L937-E942 WeakPolarHBondContact CA-OE2 3.11Å; L937-E942 HydrophobicContact CB-CB 4.03Å; L937-E942 HydrophobicContact CD2-CB 4.22Å; K938-E942 PolarHBondContact N-OE2 3.05Å; S939-E942 PolarHBondContact O-N 3.04Å; S939-E942 WeakPolarHBondContact OG-CG 3.49Å; S939-E942 PolarHBondContact OG-N 3.18Å; M940-E942 VanDerWaalsContact C-N 3.26Å; M940-E942 PolarHBondContact O-N 2.7Å
943L78.7Confident79.3Confident0 Ų072.6 Ų72.60%036%0.358CS..Hα-helixtrans-81.9-43.6178.6-168.469.6000112.2L913 V928 M932 L937 S939 M940 E941 K945 L946 W953L913-L943 HydrophobicContact CD1-CD2 4.14Å; L913-L943 HydrophobicContact CD2-CD2 4.31Å; L913-L943 HydrophobicContact CG-CD2 4.3Å; V928-L943 HydrophobicContact CG1-CD1 3.94Å; V928-L943 HydrophobicContact CG1-CD2 3.92Å; V928-L943 HydrophobicContact CG1-CG 4.27Å; M932-L943 HydrophobicContact CB-CD1 3.87Å; M932-L943 HydrophobicContact CG-CD1 3.99Å; M932-L943 HydrophobicContact SD-CD1 3.9Å; M932-L943 HydrophobicContact SD-CD2 4.16Å; L937-L943 HydrophobicContact CD1-CB 4.37Å; L937-L943 HydrophobicContact CD1-CD1 3.71Å; S939-L943 PolarHBondContact O-N 2.73Å; M940-L943 WeakPolarHBondContact O-CA 3.45Å; M940-L943 WeakPolarHBondContact O-CB 3.43Å; M940-L943 PolarHBondContact O-N 2.75Å; E941-L943 VanDerWaalsContact C-N 3.31Å; L943-K945 VanDerWaalsContact C-N 3.29Å; L943-K945 PolarHBondContact O-N 3.3Å; L943-L946 WeakPolarHBondContact O-CB 3.47Å; L943-L946 PolarHBondContact O-N 2.8Å; L943-L946 VanDerWaalsContact O-N 3.14Å; L943-W953 HydrophobicContact CD2-CZ3 4.11Å; L943-W953 HydrophobicContact CG-CH2 4.28Å; L943-W953 HydrophobicContact CG-CZ3 3.92Å; L943-W953 WeakPolarHBondContact O-CH2 3.35Å
944E77.3Confident79.1Confident62 Ų6278.3 Ų78.329%0.2939%0.389SS..Hα-helixtrans-59-39.8176.2-71.4168176.700111.3M940 L946 D947 W953 Q957M940-E944 HydrophobicContact CE-CG 3.85Å; M940-E944 WeakPolarHBondContact CE-OE1 3.5Å; M940-E944 HydrophobicContact CG-CG 4.23Å; M940-E944 VanDerWaalsContact CG-OE1 3.23Å; M940-E944 WeakPolarHBondContact CG-OE1 3.36Å; M940-E944 WeakPolarHBondContact O-CG 3.48Å; M940-E944 PolarHBondContact O-N 3.49Å; E944-L946 PolarHBondContact O-N 3.19Å; E944-D947 PolarHBondContact O-N 3.39Å; E944-D947 VanDerWaalsContact O-N 3.11Å; E944-W953 HydrophobicContact CG-CD2 4.07Å; E944-W953 HydrophobicContact CG-CE3 3.82Å; E944-W953 HydrophobicContact CG-CG 4.4Å; E944-W953 HydrophobicContact CG-CZ3 4.35Å; E944-Q957 PolarHBondContact OE1-NE2 3.39Å
945K81.2Confident79Confident154 Ų15477.8 Ų77.867%0.6739%0.385SS*.THydrogen-bonded Turntrans-62-1.5175.8-72.5165.2-163157.60115E941 L943E941-K945 WeakPolarHBondContact O-CD 3.3Å; E941-K945 VanDerWaalsContact O-CE 3.29Å; E941-K945 WeakPolarHBondContact O-CE 3.44Å; E941-K945 WeakPolarHBondContact O-CG 3.16Å; E941-K945 PolarHBondContact O-N 3.19Å; E941-K945 IonicContact OE2-NZ 3.81Å; L943-K945 VanDerWaalsContact C-N 3.29Å; L943-K945 PolarHBondContact O-N 3.3Å
946L76.5Confident78.9Confident32 Ų3271.4 Ų71.417%0.16836%0.358CS..THydrogen-bonded Turntrans-93.2-3.2173.2-68.8177.8000115.2K931 K935 L937 L943 E944 I948K931-L946 HydrophobicContact CB-CD1 4.1Å; K935-L946 HydrophobicContact CD-CD1 4.38Å; K935-L946 HydrophobicContact CD-CD2 3.62Å; L937-L946 HydrophobicContact CD1-CD1 3.55Å; L937-L946 HydrophobicContact CD1-CG 4.39Å; L943-L946 WeakPolarHBondContact O-CB 3.47Å; L943-L946 PolarHBondContact O-N 2.8Å; L943-L946 VanDerWaalsContact O-N 3.14Å; E944-L946 PolarHBondContact O-N 3.19Å; L946-I948 HydrophobicContact CB-CD1 4.15Å; L946-I948 HydrophobicContact CB-CG1 3.89Å; L946-I948 HydrophobicContact CD1-CD1 4.43Å; L946-I948 PolarHBondContact O-N 3.13Å
947D74.7Confident78.9Confident134 Ų13469.9 Ų69.972%0.71735%0.351SS*.  trans38.461.1177.6-164.115.8000113.6E944 H949E944-D947 PolarHBondContact O-N 3.39Å; E944-D947 VanDerWaalsContact O-N 3.11Å; D947-H949 PolarHBondContact O-N 2.99Å; D947-H949 VanDerWaalsContact O-N 3.14Å
948I77.4Confident79.2Confident13 Ų1376 Ų767%0.06738%0.376CS..  trans-81.895.6-177-53.1177.7000108.3V927 V928 K931 L946 G950 V951 W953V927-I948 HydrophobicContact CG1-CG2 4.27Å; V928-I948 HydrophobicContact CB-CD1 4.34Å; V928-I948 HydrophobicContact CG1-CD1 4.42Å; V928-I948 HydrophobicContact CG2-CD1 3.9Å; V928-I948 HydrophobicContact CG2-CG2 4.13Å; K931-I948 HydrophobicContact CD-CD1 3.67Å; K931-I948 HydrophobicContact CD-CG1 4.03Å; L946-I948 HydrophobicContact CB-CD1 4.15Å; L946-I948 HydrophobicContact CB-CG1 3.89Å; L946-I948 HydrophobicContact CD1-CD1 4.43Å; L946-I948 PolarHBondContact O-N 3.13Å; I948-G950 PolarHBondContact O-N 3.19Å; I948-V951 HydrophobicContact CB-CG2 4.07Å; I948-V951 HydrophobicContact CG2-CG2 3.92Å; I948-V951 WeakPolarHBondContact O-CB 3.48Å; I948-V951 WeakPolarHBondContact O-CG2 3.22Å; I948-V951 PolarHBondContact O-N 2.86Å; I948-W953 HydrophobicContact CB-CH2 4.31Å; I948-W953 HydrophobicContact CB-CZ2 4.11Å; I948-W953 HydrophobicContact CD1-CH2 4.34Å; I948-W953 HydrophobicContact CG1-CH2 4.33Å; I948-W953 HydrophobicContact CG1-CZ2 4.44Å
949H75.1Confident79.5Confident184 Ų18471.5 Ų71.585%0.85236%0.357SS*.THydrogen-bonded Turntrans-40.6123.9-178.3-175.8-73.2000114D947D947-H949 PolarHBondContact O-N 2.99Å; D947-H949 VanDerWaalsContact O-N 3.14Å
950G74.3Confident79.6Confident50 Ų5071.7 Ų71.752%0.51536%0.355SS..THydrogen-bonded Turntrans90.2-0.6174.800000116.1Q924 I948Q924-G950 PolarHBondContact NE2-O 3.36Å; Q924-G950 PolarHBondContact OE1-O 3.41Å; I948-G950 PolarHBondContact O-N 3.19Å
951V80.5Confident79.7Confident13 Ų1376.6 Ų76.68%0.07938%0.381CS..  trans-80.6128174.5175.70000110.8L920 V928 I948 W953L920-V951 HydrophobicContact CD1-CG1 3.87Å; L920-V951 HydrophobicContact CD1-CG2 4.28Å; L920-V951 HydrophobicContact CD2-CG1 4.21Å; V928-V951 HydrophobicContact CG2-CG2 3.72Å; I948-V951 HydrophobicContact CB-CG2 4.07Å; I948-V951 HydrophobicContact CG2-CG2 3.92Å; I948-V951 WeakPolarHBondContact O-CB 3.48Å; I948-V951 WeakPolarHBondContact O-CG2 3.22Å; I948-V951 PolarHBondContact O-N 2.86Å; V951-W953 HydrophobicContact CB-CD2 4.42Å; V951-W953 HydrophobicContact CB-CH2 4.43Å; V951-W953 HydrophobicContact CB-CZ2 4.09Å; V951-W953 HydrophobicContact CG1-CD2 3.89Å; V951-W953 HydrophobicContact CG1-CE3 3.83Å; V951-W953 HydrophobicContact CG1-CH2 4.13Å; V951-W953 HydrophobicContact CG1-CZ2 4.15Å; V951-W953 HydrophobicContact CG1-CZ3 3.95Å; V951-W953 PolarHBondContact O-N 3.12Å
952D84Confident79.3Confident85 Ų8577.1 Ų77.146%0.45538%0.382SS..  trans-81.195.7168.5-176.1-10000110.3N954 F955 L956D952-N954 VanDerWaalsContact C-N 3.33Å; D952-N954 WeakPolarHBondContact OD1-CA 3.48Å; D952-N954 WeakPolarHBondContact OD1-CB 3.38Å; D952-N954 PolarHBondContact OD1-N 3.22Å; D952-F955 HydrophobicContact CB-CB 3.91Å; D952-F955 PolarHBondContact O-N 3.15Å; D952-F955 PolarHBondContact OD1-N 2.97Å; D952-F955 VanDerWaalsContact OD2-CB 3.31Å; D952-F955 WeakPolarHBondContact OD2-CB 3.43Å; D952-L956 PolarHBondContact O-N 2.97Å
953W82Confident78.2Confident48 Ų4880.8 Ų80.818%0.18240%0.397CS..Hα-helixtrans-63.9-34.8177.4-57.4112.6000112.8M940 L943 E944 I948 V951 L956 Q957M940-W953 HydrophobicContact CE-CE3 3.92Å; L943-W953 HydrophobicContact CD2-CZ3 4.11Å; L943-W953 HydrophobicContact CG-CH2 4.28Å; L943-W953 HydrophobicContact CG-CZ3 3.92Å; L943-W953 WeakPolarHBondContact O-CH2 3.35Å; E944-W953 HydrophobicContact CG-CD2 4.07Å; E944-W953 HydrophobicContact CG-CE3 3.82Å; E944-W953 HydrophobicContact CG-CG 4.4Å; E944-W953 HydrophobicContact CG-CZ3 4.35Å; I948-W953 HydrophobicContact CB-CH2 4.31Å; I948-W953 HydrophobicContact CB-CZ2 4.11Å; I948-W953 HydrophobicContact CD1-CH2 4.34Å; I948-W953 HydrophobicContact CG1-CH2 4.33Å; I948-W953 HydrophobicContact CG1-CZ2 4.44Å; V951-W953 HydrophobicContact CB-CD2 4.42Å; V951-W953 HydrophobicContact CB-CH2 4.43Å; V951-W953 HydrophobicContact CB-CZ2 4.09Å; V951-W953 HydrophobicContact CG1-CD2 3.89Å; V951-W953 HydrophobicContact CG1-CE3 3.83Å; V951-W953 HydrophobicContact CG1-CH2 4.13Å; V951-W953 HydrophobicContact CG1-CZ2 4.15Å; V951-W953 HydrophobicContact CG1-CZ3 3.95Å; V951-W953 PolarHBondContact O-N 3.12Å; W953-L956 PolarHBondContact O-N 3.27Å; W953-Q957 WeakPolarHBondContact O-CB 3.3Å; W953-Q957 PolarHBondContact O-N 2.9Å
954N83.1Confident77.2Confident131 Ų13181.4 Ų81.470%0.70140%0.403SS*.Hα-helixtrans-67.9-42.8179.1-67.8-50.5000110.9D952 K958D952-N954 VanDerWaalsContact C-N 3.33Å; D952-N954 WeakPolarHBondContact OD1-CA 3.48Å; D952-N954 WeakPolarHBondContact OD1-CB 3.38Å; D952-N954 PolarHBondContact OD1-N 3.22Å; N954-K958 VanDerWaalsContact O-CB 3.23Å; N954-K958 WeakPolarHBondContact O-CB 3.1Å; N954-K958 PolarHBondContact O-N 3.43Å
955F85.3Confident76.4Confident76 Ų7683.8 Ų83.833%0.33341%0.414SS..Hα-helixtrans-60.9-47171.7173.7-97.6000111.4K919 L920 D952 Q957 K958 E959K919-F955 HydrophobicContact CB-CE1 3.89Å; K919-F955 HydrophobicContact CB-CZ 4.16Å; L920-F955 HydrophobicContact CD2-CD1 4.3Å; D952-F955 HydrophobicContact CB-CB 3.91Å; D952-F955 PolarHBondContact O-N 3.15Å; D952-F955 PolarHBondContact OD1-N 2.97Å; D952-F955 VanDerWaalsContact OD2-CB 3.31Å; D952-F955 WeakPolarHBondContact OD2-CB 3.43Å; F955-Q957 PolarHBondContact O-N 2.81Å; F955-K958 WeakPolarHBondContact O-CB 3.36Å; F955-K958 PolarHBondContact O-N 2.85Å; F955-E959 HydrophobicContact CD1-CG 4.31Å; F955-E959 HydrophobicContact CD2-CG 4.49Å; F955-E959 HydrophobicContact CE1-CG 3.81Å; F955-E959 HydrophobicContact CE2-CG 4Å; F955-E959 HydrophobicContact CZ-CG 3.63Å; F955-E959 PolarHBondContact O-N 2.95Å
956L82.3Confident76.1Confident0 Ų078.9 Ų78.90%040%0.395CS..Hα-helixtrans-66-40.5-177.6-165.2148.6000112.4L913 A916 C917 L920 M940 D952 W953 K958 E959 L960L913-L956 HydrophobicContact CD1-CD2 3.95Å; A916-L956 HydrophobicContact CB-CD2 4.19Å; A916-L956 HydrophobicContact CB-CG 4.26Å; C917-L956 HydrophobicContact CB-CD1 4.45Å; L920-L956 HydrophobicContact CD1-CD1 3.68Å; L920-L956 HydrophobicContact CD2-CD1 4.21Å; L920-L956 HydrophobicContact CG-CD1 3.92Å; M940-L956 HydrophobicContact CE-CB 4.34Å; M940-L956 HydrophobicContact CE-CD2 3.66Å; M940-L956 HydrophobicContact SD-CD2 3.46Å; M940-L956 WeakPolarHBondContact SD-CD2 3.45Å; D952-L956 PolarHBondContact O-N 2.97Å; W953-L956 PolarHBondContact O-N 3.27Å; L956-K958 VanDerWaalsContact C-N 3.32Å; L956-K958 PolarHBondContact O-N 2.93Å; L956-E959 PolarHBondContact O-N 3.21Å; L956-L960 WeakPolarHBondContact O-CB 2.91Å; L956-L960 PolarHBondContact O-N 2.86Å
957Q82.6Confident76.4Confident81 Ų8179.6 Ų79.638%0.37940%0.399SS..Hα-helixtrans-65.3-37174.7-152.2179.678.900111.3M940 E944 W953 F955 L960 N961M940-Q957 HydrophobicContact CE-CB 4.01Å; M940-Q957 HydrophobicContact CE-CG 4.38Å; M940-Q957 HydrophobicContact CG-CG 4.38Å; E944-Q957 PolarHBondContact OE1-NE2 3.39Å; W953-Q957 WeakPolarHBondContact O-CB 3.3Å; W953-Q957 PolarHBondContact O-N 2.9Å; F955-Q957 PolarHBondContact O-N 2.81Å; Q957-L960 PolarHBondContact O-N 3.38Å; Q957-N961 WeakPolarHBondContact O-CB 3.35Å; Q957-N961 VanDerWaalsContact O-CG 3.26Å; Q957-N961 PolarHBondContact O-N 2.87Å; Q957-N961 PolarHBondContact O-ND2 2.84Å
958K84.4Confident77Confident146 Ų14673.2 Ų73.264%0.63537%0.365SS*.Hα-helixtrans-66.8-37.6173.7-174.4173179.6174.60112.9N954 F955 L956N954-K958 VanDerWaalsContact O-CB 3.23Å; N954-K958 WeakPolarHBondContact O-CB 3.1Å; N954-K958 PolarHBondContact O-N 3.43Å; F955-K958 WeakPolarHBondContact O-CB 3.36Å; F955-K958 PolarHBondContact O-N 2.85Å; L956-K958 VanDerWaalsContact C-N 3.32Å; L956-K958 PolarHBondContact O-N 2.93Å
959E81.3Confident77.4Confident35 Ų3573.5 Ų73.516%0.16437%0.369CS..Hα-helixtrans-70.4-39.1172.6-69.6-56.2120.700112.2A916 K919 F955 L956 N961 K962A916-E959 HydrophobicContact CB-CB 4.35Å; K919-E959 HydrophobicContact CB-CG 4.23Å; K919-E959 HydrophobicContact CG-CG 4.21Å; F955-E959 HydrophobicContact CD1-CG 4.31Å; F955-E959 HydrophobicContact CD2-CG 4.49Å; F955-E959 HydrophobicContact CE1-CG 3.81Å; F955-E959 HydrophobicContact CE2-CG 4Å; F955-E959 HydrophobicContact CZ-CG 3.63Å; F955-E959 PolarHBondContact O-N 2.95Å; L956-E959 PolarHBondContact O-N 3.21Å; E959-N961 VanDerWaalsContact C-N 3.27Å; E959-N961 PolarHBondContact O-N 2.91Å; E959-K962 WeakPolarHBondContact O-CB 3.36Å; E959-K962 PolarHBondContact O-N 3.31Å; E959-K962 VanDerWaalsContact O-N 3.13Å; E959-K962 VanDerWaalsContact OE1-CE 3.28Å; E959-K962 WeakPolarHBondContact OE1-CE 3.32Å; E959-K962 IonicContact OE1-NZ 2.71Å; E959-K962 PolarHBondContact OE1-NZ 2.82Å; E959-K962 IonicContact OE2-NZ 2.67Å; E959-K962 PolarHBondContact OE2-NZ 3.05Å
960L79.5Confident78.2Confident44 Ų4464.8 Ų64.823%0.2333%0.329CS..Hα-helixtrans-58.6-41174.9-174.964.4000111.6L913 A916 M940 L956 Q957 K962L913-L960 HydrophobicContact CB-CD1 4.42Å; L913-L960 HydrophobicContact CD1-CD1 4.36Å; L913-L960 HydrophobicContact CD1-CD2 4.12Å; A916-L960 HydrophobicContact CB-CB 4.19Å; A916-L960 HydrophobicContact CB-CD1 4.39Å; M940-L960 HydrophobicContact CB-CD2 4.3Å; M940-L960 HydrophobicContact SD-CD2 4.43Å; L956-L960 WeakPolarHBondContact O-CB 2.91Å; L956-L960 PolarHBondContact O-N 2.86Å; Q957-L960 PolarHBondContact O-N 3.38Å; L960-K962 VanDerWaalsContact C-N 3.25Å; L960-K962 PolarHBondContact O-N 3.19Å
961N76.7Confident79Confident122 Ų12262.4 Ų62.465%0.65230%0.304SS*.THydrogen-bonded Turntrans-70.2-11.4178.6-72.9-23000114.5Q957 E959 K963Q957-N961 WeakPolarHBondContact O-CB 3.35Å; Q957-N961 VanDerWaalsContact O-CG 3.26Å; Q957-N961 PolarHBondContact O-N 2.87Å; Q957-N961 PolarHBondContact O-ND2 2.84Å; E959-N961 VanDerWaalsContact C-N 3.27Å; E959-N961 PolarHBondContact O-N 2.91Å; N961-K963 PolarHBondContact O-N 3.38Å; N961-K963 VanDerWaalsContact O-N 3.08Å
962K70.6Confident79.5Confident134 Ų13462.2 Ų62.258%0.58330%0.304SS*.THydrogen-bonded Turntrans-76.718177.4-74.5177.5177.8176.30114.8E959 L960E959-K962 WeakPolarHBondContact O-CB 3.36Å; E959-K962 PolarHBondContact O-N 3.31Å; E959-K962 VanDerWaalsContact O-N 3.13Å; E959-K962 VanDerWaalsContact OE1-CE 3.28Å; E959-K962 WeakPolarHBondContact OE1-CE 3.32Å; E959-K962 IonicContact OE1-NZ 2.71Å; E959-K962 PolarHBondContact OE1-NZ 2.82Å; E959-K962 IonicContact OE2-NZ 2.67Å; E959-K962 PolarHBondContact OE2-NZ 3.05Å; L960-K962 VanDerWaalsContact C-N 3.25Å; L960-K962 PolarHBondContact O-N 3.19Å
963K55.2Low79.8Confident153 Ų15361.1 Ų61.167%0.66529%0.293SS*.THydrogen-bonded Turntrans56.981.1-173.6-66.5-169.4171.2-165.20114.1N961 E965N961-K963 PolarHBondContact O-N 3.38Å; N961-K963 VanDerWaalsContact O-N 3.08Å; K963-E965 PolarHBondContact O-N 3.49Å; K963-E965 VanDerWaalsContact O-N 3.16Å
964G57.4Low80.2Confident13 Ų1358.8 Ų58.813%0.13429%0.285CS..THydrogen-bonded Turntrans-64.1-9.6167.400000115.4D966 I967 V968G964-D966 PolarHBondContact O-N 2.86Å; G964-I967 PolarHBondContact O-N 3.3Å; G964-V968 PolarHBondContact O-N 2.87Å
965E61.4Low80.6Confident111 Ų11152.6 Ų52.652%0.51925%0.251SS..Hα-helixtrans-54.2-45.3-173.2-61.4-173114.700113.8K963 V968 A969K963-E965 PolarHBondContact O-N 3.49Å; K963-E965 VanDerWaalsContact O-N 3.16Å; E965-V968 PolarHBondContact O-N 3.42Å; E965-A969 VanDerWaalsContact O-CB 3.31Å; E965-A969 WeakPolarHBondContact O-CB 3.42Å; E965-A969 PolarHBondContact O-N 3.28Å
966D73.8Confident80.7Confident51 Ų5150.8 Ų50.827%0.27325%0.247SC..Hα-helixtrans-69.7-34.4-175.4-92.9-72.5000112.8S827 T828 V829 G964 A969 I970S827-D966 WeakPolarHBondContact O-CB 3.39Å; T828-D966 VanDerWaalsContact CA-OD1 3.24Å; T828-D966 WeakPolarHBondContact CA-OD1 3.19Å; V829-D966 PolarHBondContact N-OD1 3.48Å; G964-D966 PolarHBondContact O-N 2.86Å; D966-A969 PolarHBondContact O-N 2.66Å; D966-I970 WeakPolarHBondContact O-CB 3.46Å; D966-I970 VanDerWaalsContact O-CG1 3.24Å; D966-I970 WeakPolarHBondContact O-CG1 3.32Å; D966-I970 PolarHBondContact O-N 3.12Å
967I83Confident80.7Confident47 Ų4758.4 Ų58.424%0.24128%0.275CS..Hα-helixtrans-66.7-46.2177.4-59.1177.5000110.4Q915 G964 A969 I970 D971Q915-I967 HydrophobicContact CG-CD1 4.12Å; Q915-I967 HydrophobicContact CG-CG2 4.29Å; G964-I967 PolarHBondContact O-N 3.3Å; I967-A969 VanDerWaalsContact C-N 3.26Å; I967-A969 PolarHBondContact O-N 2.81Å; I967-I970 PolarHBondContact O-N 2.97Å; I967-D971 PolarHBondContact O-N 2.95Å
968V87.1Confident80.8Confident1 Ų154.9 Ų54.91%0.00626%0.259CS..Hα-helixtrans-62.9-36.4177.31790000110.9H898 I900 Y908 A911 G964 E965 S972H898-V968 HydrophobicContact CB-CG1 4.04Å; I900-V968 HydrophobicContact CB-CG1 4.5Å; I900-V968 HydrophobicContact CD1-CG1 4.08Å; I900-V968 HydrophobicContact CG1-CG1 4.38Å; Y908-V968 HydrophobicContact CD1-CB 4.14Å; Y908-V968 HydrophobicContact CD1-CG1 3.76Å; Y908-V968 HydrophobicContact CE1-CB 4.03Å; Y908-V968 HydrophobicContact CE1-CG1 3.68Å; Y908-V968 HydrophobicContact CG-CG1 4.24Å; A911-V968 HydrophobicContact CB-CB 4.49Å; A911-V968 HydrophobicContact CB-CG1 3.87Å; A911-V968 HydrophobicContact CB-CG2 3.71Å; G964-V968 PolarHBondContact O-N 2.87Å; E965-V968 PolarHBondContact O-N 3.42Å; V968-S972 WeakPolarHBondContact O-CB 3.39Å; V968-S972 PolarHBondContact O-N 3.03Å; V968-S972 PolarHBondContact O-OG 3.06Å
969A87Confident80.9Confident19 Ų1948.1 Ų48.116%0.15723%0.23CC..Hα-helixtrans-74.6-28.8176.300000113.4V829 Y908 E965 D966 I967 Y973V829-A969 HydrophobicContact CG2-CB 3.39Å; Y908-A969 HydrophobicContact CE1-CB 4.18Å; E965-A969 VanDerWaalsContact O-CB 3.31Å; E965-A969 WeakPolarHBondContact O-CB 3.42Å; E965-A969 PolarHBondContact O-N 3.28Å; D966-A969 PolarHBondContact O-N 2.66Å; I967-A969 VanDerWaalsContact C-N 3.26Å; I967-A969 PolarHBondContact O-N 2.81Å; A969-Y973 WeakPolarHBondContact O-CB 3.46Å; A969-Y973 PolarHBondContact O-N 2.81Å; A969-Y973 VanDerWaalsContact O-N 3.12Å
970I90Very high81.1Confident1 Ų151.4 Ų51.41%0.00525%0.249CC..Hα-helixtrans-67.7-48.7169.1-72.6166000110V826 V829 F832 Y843 I844 D966 I967 S972 Y973 Y974V826-I970 HydrophobicContact CG1-CD1 3.97Å; V829-I970 HydrophobicContact CB-CG1 4.42Å; V829-I970 HydrophobicContact CG2-CG1 3.95Å; F832-I970 HydrophobicContact CB-CD1 4.23Å; F832-I970 HydrophobicContact CB-CG1 4Å; F832-I970 HydrophobicContact CD1-CG2 3.98Å; F832-I970 HydrophobicContact CD2-CG2 3.77Å; F832-I970 HydrophobicContact CE1-CG2 4.09Å; F832-I970 HydrophobicContact CE2-CG2 3.9Å; F832-I970 HydrophobicContact CG-CG1 4.2Å; F832-I970 HydrophobicContact CG-CG2 3.8Å; F832-I970 HydrophobicContact CZ-CG2 4.04Å; Y843-I970 HydrophobicContact CD1-CG2 4.46Å; Y843-I970 HydrophobicContact CE1-CD1 4.22Å; Y843-I970 HydrophobicContact CE1-CG2 4.01Å; I844-I970 HydrophobicContact CD1-CG2 4.18Å; D966-I970 WeakPolarHBondContact O-CB 3.46Å; D966-I970 VanDerWaalsContact O-CG1 3.24Å; D966-I970 WeakPolarHBondContact O-CG1 3.32Å; D966-I970 PolarHBondContact O-N 3.12Å; I967-I970 PolarHBondContact O-N 2.97Å; I970-S972 VanDerWaalsContact C-N 3.31Å; I970-S972 PolarHBondContact O-N 2.95Å; I970-Y973 CarbonylContact O-C 3.48Å; I970-Y973 WeakPolarHBondContact O-CB 3.44Å; I970-Y973 PolarHBondContact O-N 3.04Å; I970-Y973 VanDerWaalsContact O-N 3.11Å; I970-Y974 WeakPolarHBondContact O-CB 3.02Å; I970-Y974 PolarHBondContact O-N 3.39Å
971D91.8Very high81.3Confident0 Ų049.4 Ų49.40%024%0.238CC..Hα-helixtrans-57.5-43.4176.1-87.1-9.8000112.2R848 I897 H898 I967 Y973 Y974 S975R848-D971 IonicContact CZ-OD1 3.78Å; R848-D971 IonicContact NE-OD1 2.7Å; R848-D971 PolarHBondContact NE-OD1 2.95Å; R848-D971 IonicContact NE-OD2 3.88Å; R848-D971 IonicContact NH2-OD1 2.73Å; R848-D971 PolarHBondContact NH2-OD1 2.67Å; R848-D971 IonicContact NH2-OD2 3.68Å; I897-D971 WeakPolarHBondContact CA-OD2 3.38Å; I897-D971 HydrophobicContact CG2-CB 3.94Å; H898-D971 HydrophobicContact CB-CB 4.22Å; H898-D971 IonicContact CD2-OD2 3.67Å; H898-D971 PolarHBondContact N-OD2 3.47Å; H898-D971 CarbonylContact O-C 3.5Å; H898-D971 VanDerWaalsContact O-CB 3.27Å; H898-D971 WeakPolarHBondContact O-CB 3.15Å; I967-D971 PolarHBondContact O-N 2.95Å; D971-Y973 VanDerWaalsContact C-N 3.29Å; D971-Y973 PolarHBondContact O-N 2.89Å; D971-Y974 PolarHBondContact O-N 3.28Å; D971-S975 WeakPolarHBondContact O-CB 3.38Å; D971-S975 PolarHBondContact O-N 3.49Å; D971-S975 PolarHBondContact O-OG 2.98Å
972S91Very high81.7Confident9 Ų947.2 Ų47.26%0.06323%0.23CC..Hα-helixtrans-65-34.1178.1-61.30000111.9H898 I900 V968 I970 T976H898-S972 PolarHBondContact O-N 2.82Å; H898-S972 VanDerWaalsContact O-N 3.14Å; H898-S972 PolarHBondContact O-OG 3.21Å; I900-S972 PolarHBondContact N-OG 2.94Å; I900-S972 PolarHBondContact O-OG 3.31Å; V968-S972 WeakPolarHBondContact O-CB 3.39Å; V968-S972 PolarHBondContact O-N 3.03Å; V968-S972 PolarHBondContact O-OG 3.06Å; I970-S972 VanDerWaalsContact C-N 3.31Å; I970-S972 PolarHBondContact O-N 2.95Å; S972-T976 WeakPolarHBondContact O-CB 3.21Å; S972-T976 VanDerWaalsContact O-CG2 3.3Å; S972-T976 WeakPolarHBondContact O-CG2 3.39Å; S972-T976 PolarHBondContact O-N 3.23Å; S972-T976 PolarHBondContact O-OG1 2.62Å
973Y90.3Very high82.4Confident61 Ų6144 Ų4424%0.23923%0.225CC..Hα-helixtrans-73.3-43.4172.9177.5-96.9000112F832 K833 A969 I970 D971 T976 R977F832-Y973 AromaticContact CD1-CD1 3.67Å; F832-Y973 HydrophobicContact CD1-CD1 3.67Å; F832-Y973 AromaticContact CD1-CE1 4Å; F832-Y973 HydrophobicContact CD1-CE1 4Å; F832-Y973 AromaticContact CE1-CD1 3.8Å; F832-Y973 HydrophobicContact CE1-CD1 3.8Å; F832-Y973 HydrophobicContact CE1-CE1 4.13Å; K833-Y973 HydrophobicContact CD-CE2 4.32Å; K833-Y973 VanDerWaalsContact CE-CE2 3.42Å; K833-Y973 HydrophobicContact CG-CE1 3.94Å; K833-Y973 HydrophobicContact CG-CE2 4.06Å; A969-Y973 WeakPolarHBondContact O-CB 3.46Å; A969-Y973 PolarHBondContact O-N 2.81Å; A969-Y973 VanDerWaalsContact O-N 3.12Å; I970-Y973 CarbonylContact O-C 3.48Å; I970-Y973 WeakPolarHBondContact O-CB 3.44Å; I970-Y973 PolarHBondContact O-N 3.04Å; I970-Y973 VanDerWaalsContact O-N 3.11Å; D971-Y973 VanDerWaalsContact C-N 3.29Å; D971-Y973 PolarHBondContact O-N 2.89Å; Y973-T976 PolarHBondContact O-N 3.21Å; Y973-T976 PolarHBondContact O-OG1 2.84Å; Y973-R977 HydrophobicContact CD2-CG 3.98Å; Y973-R977 HydrophobicContact CE2-CB 4.2Å; Y973-R977 HydrophobicContact CE2-CG 3.65Å; Y973-R977 WeakPolarHBondContact O-CB 3.41Å; Y973-R977 PolarHBondContact O-N 3.47Å
974Y91.5Very high83.8Confident0 Ų037.8 Ų37.80%020%0.204CC..Hα-helixtrans-59.4-49.2178-173.6-103000111.5F832 N841 I844 W865 I970 D971 T976 I978 L979F832-Y974 HydrophobicContact CE1-CD2 4.35Å; F832-Y974 AromaticContact CZ-CD2 3.96Å; F832-Y974 HydrophobicContact CZ-CD2 3.96Å; N841-Y974 VanDerWaalsContact OD1-CE2 3.27Å; N841-Y974 WeakPolarHBondContact OD1-CE2 3.2Å; N841-Y974 PolarHBondContact OD1-OH 3.26Å; I844-Y974 HydrophobicContact CD1-CD1 4.43Å; I844-Y974 HydrophobicContact CD1-CD2 4.26Å; I844-Y974 HydrophobicContact CD1-CG 4.11Å; I844-Y974 HydrophobicContact CG1-CD1 4.1Å; I844-Y974 HydrophobicContact CG1-CD2 3.64Å; I844-Y974 HydrophobicContact CG1-CE1 4.16Å; I844-Y974 HydrophobicContact CG1-CE2 3.74Å; I844-Y974 HydrophobicContact CG1-CG 3.86Å; I844-Y974 HydrophobicContact CG2-CE1 4.28Å; W865-Y974 HydrophobicContact CZ3-CE1 4.23Å; I970-Y974 WeakPolarHBondContact O-CB 3.02Å; I970-Y974 PolarHBondContact O-N 3.39Å; D971-Y974 PolarHBondContact O-N 3.28Å; Y974-T976 PolarHBondContact O-N 3.39Å; Y974-I978 HydrophobicContact CD2-CB 3.93Å; Y974-I978 HydrophobicContact CD2-CD1 3.45Å; Y974-I978 VanDerWaalsContact CD2-CD1 3.45Å; Y974-I978 HydrophobicContact CD2-CG1 4.29Å; Y974-I978 HydrophobicContact CD2-CG2 4.08Å; Y974-I978 HydrophobicContact CE2-CB 3.91Å; Y974-I978 HydrophobicContact CE2-CD1 3.84Å; Y974-I978 HydrophobicContact CE2-CG1 4.48Å; Y974-I978 HydrophobicContact CE2-CG2 3.53Å; Y974-I978 HydrophobicContact CG-CD1 4.43Å; Y974-I978 WeakPolarHBondContact O-CA 3.49Å; Y974-I978 WeakPolarHBondContact O-CB 3.47Å; Y974-I978 PolarHBondContact O-N 3.35Å; Y974-L979 HydrophobicContact CD1-CD1 3.61Å; Y974-L979 HydrophobicContact CD1-CG 3.87Å; Y974-L979 HydrophobicContact CE1-CD1 3.56Å; Y974-L979 HydrophobicContact CE1-CD2 3.85Å; Y974-L979 HydrophobicContact CE1-CG 3.59Å; Y974-L979 PolarHBondContact O-N 3.47Å; Y974-L979 VanDerWaalsContact O-N 3.08Å
975S91.3Very high85.2Confident0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-55.5-49.4175.9-55.60000112V867 D971 N980 I981V867-S975 WeakPolarHBondContact CG1-OG 3.11Å; D971-S975 WeakPolarHBondContact O-CB 3.38Å; D971-S975 PolarHBondContact O-N 3.49Å; D971-S975 PolarHBondContact O-OG 2.98Å; S975-N980 PolarHBondContact O-N 2.87Å; S975-N980 VanDerWaalsContact O-N 3.15Å; S975-I981 PolarHBondContact O-N 2.98Å
976T86.6Confident86.6Confident38 Ų3837.3 Ų37.323%0.23320%0.197CC..Hα-helixtrans-82.4-19.5-172.555.80000115.3S972 Y973 Y974 I981S972-T976 WeakPolarHBondContact O-CB 3.21Å; S972-T976 VanDerWaalsContact O-CG2 3.3Å; S972-T976 WeakPolarHBondContact O-CG2 3.39Å; S972-T976 PolarHBondContact O-N 3.23Å; S972-T976 PolarHBondContact O-OG1 2.62Å; Y973-T976 PolarHBondContact O-N 3.21Å; Y973-T976 PolarHBondContact O-OG1 2.84Å; Y974-T976 PolarHBondContact O-N 3.39Å; T976-I981 WeakPolarHBondContact CA-O 3.15Å
977R83.3Confident87.5Confident160 Ų16034.9 Ų34.960%0.60418%0.184SC*.Hα-helixtrans-119.4-25.7-175.7-64.4-57.5-169.4172.72.1115.6Y973Y973-R977 HydrophobicContact CD2-CG 3.98Å; Y973-R977 HydrophobicContact CE2-CB 4.2Å; Y973-R977 HydrophobicContact CE2-CG 3.65Å; Y973-R977 WeakPolarHBondContact O-CB 3.41Å; Y973-R977 PolarHBondContact O-N 3.47Å
978I84Confident87.9Confident8 Ų832.6 Ų32.64%0.04117%0.173CC..THydrogen-bonded Turntrans-109.3-42.8-176-66157.1000110.9F832 R837 Q840 N841 Y974F832-I978 HydrophobicContact CE1-CD1 4.13Å; F832-I978 HydrophobicContact CZ-CD1 4.46Å; R837-I978 HydrophobicContact CG-CG2 4.47Å; R837-I978 PolarHBondContact NH2-O 3.47Å; Q840-I978 HydrophobicContact CB-CD1 3.91Å; Q840-I978 HydrophobicContact CG-CD1 4.38Å; N841-I978 WeakPolarHBondContact OD1-CG2 3.32Å; Y974-I978 HydrophobicContact CD2-CB 3.93Å; Y974-I978 HydrophobicContact CD2-CD1 3.45Å; Y974-I978 VanDerWaalsContact CD2-CD1 3.45Å; Y974-I978 HydrophobicContact CD2-CG1 4.29Å; Y974-I978 HydrophobicContact CD2-CG2 4.08Å; Y974-I978 HydrophobicContact CE2-CB 3.91Å; Y974-I978 HydrophobicContact CE2-CD1 3.84Å; Y974-I978 HydrophobicContact CE2-CG1 4.48Å; Y974-I978 HydrophobicContact CE2-CG2 3.53Å; Y974-I978 HydrophobicContact CG-CD1 4.43Å; Y974-I978 WeakPolarHBondContact O-CA 3.49Å; Y974-I978 WeakPolarHBondContact O-CB 3.47Å; Y974-I978 PolarHBondContact O-N 3.35Å
979L86.8Confident88.3Confident4 Ų432.6 Ų32.62%0.02117%0.173CC..SBendtrans-83.9-14.6173-59.2172.4000113.6L799 V867 Y974 I981 I989 I994L799-L979 HydrophobicContact CD1-CD2 4Å; L799-L979 HydrophobicContact CD2-CD2 3.99Å; L799-L979 HydrophobicContact CG-CD2 4.33Å; V867-L979 HydrophobicContact CG2-CD1 3.83Å; Y974-L979 HydrophobicContact CD1-CD1 3.61Å; Y974-L979 HydrophobicContact CD1-CG 3.87Å; Y974-L979 HydrophobicContact CE1-CD1 3.56Å; Y974-L979 HydrophobicContact CE1-CD2 3.85Å; Y974-L979 HydrophobicContact CE1-CG 3.59Å; Y974-L979 PolarHBondContact O-N 3.47Å; Y974-L979 VanDerWaalsContact O-N 3.08Å; L979-I981 HydrophobicContact CB-CD1 3.88Å; L979-I981 HydrophobicContact CB-CG1 4.07Å; L979-I981 HydrophobicContact CD1-CD1 4.15Å; L979-I981 PolarHBondContact O-N 2.74Å; L979-I989 HydrophobicContact CD1-CD1 3.76Å; L979-I989 HydrophobicContact CD1-CG1 4.42Å; L979-I989 HydrophobicContact CD2-CD1 4.16Å; L979-I989 HydrophobicContact CD2-CG1 3.89Å; L979-I994 HydrophobicContact CD2-CD1 4Å; L979-I994 HydrophobicContact CD2-CG1 4.05Å
980N83.9Confident88.5Confident104 Ų10431.9 Ų31.956%0.55617%0.166SC*.  trans59.728.1-178.9-159.257.2000114.4S975S975-N980 PolarHBondContact O-N 2.87Å; S975-N980 VanDerWaalsContact O-N 3.15Å
981I85.6Confident88.6Confident1 Ų131.9 Ų31.91%0.00517%0.166CC..PPolyproline II helixtrans-87.5126.8175.3-60.5165.6000108.4V867 S975 T976 L979 K985V867-I981 HydrophobicContact CB-CD1 3.91Å; V867-I981 HydrophobicContact CG1-CD1 3.85Å; V867-I981 HydrophobicContact CG1-CG2 4.44Å; V867-I981 HydrophobicContact CG2-CD1 3.86Å; S975-I981 PolarHBondContact O-N 2.98Å; T976-I981 WeakPolarHBondContact CA-O 3.15Å; L979-I981 HydrophobicContact CB-CD1 3.88Å; L979-I981 HydrophobicContact CB-CG1 4.07Å; L979-I981 HydrophobicContact CD1-CD1 4.15Å; L979-I981 PolarHBondContact O-N 2.74Å; I981-K985 HydrophobicContact CG2-CB 4.14Å
982P84.9Confident88.5Confident76 Ų7631.9 Ų31.949%0.49417%0.166SC..PPolyproline II helixtrans-58148.1-178.7-24.934000113.3N899 G984 K985N899-P982 PolarHBondContact ND2-O 2.87Å; P982-G984 PolarHBondContact O-N 3.37Å; P982-K985 HydrophobicContact CB-CB 4.29Å; P982-K985 HydrophobicContact CB-CG 3.95Å; P982-K985 HydrophobicContact CG-CG 4.37Å; P982-K985 WeakPolarHBondContact O-CB 3.45Å; P982-K985 PolarHBondContact O-N 3.3Å
983S85.3Confident88.5Confident68 Ų6831.7 Ų31.748%0.47616%0.164SC..THydrogen-bonded Turntrans-61.7127.9-176.5-167.90000111.5K985S983-K985 VanDerWaalsContact C-N 3.31Å
984G83.6Confident88.4Confident22 Ų2229.9 Ų29.923%0.22716%0.158CC..THydrogen-bonded Turntrans81.50.5-176.900000115.5N899 P982N899-G984 WeakPolarHBondContact O-CA 3.27Å; N899-G984 PolarHBondContact O-N 2.83Å; N899-G984 PolarHBondContact OD1-N 3.48Å; P982-G984 PolarHBondContact O-N 3.37Å
985K87.7Confident88.3Confident109 Ų10930.1 Ų30.147%0.47416%0.16SC..  trans-89.9159.5171.2-75-69.6-166.6163.40112.2N899 I981 P982 S983N899-K985 PolarHBondContact ND2-O 3.09Å; I981-K985 HydrophobicContact CG2-CB 4.14Å; P982-K985 HydrophobicContact CB-CB 4.29Å; P982-K985 HydrophobicContact CB-CG 3.95Å; P982-K985 HydrophobicContact CG-CG 4.37Å; P982-K985 WeakPolarHBondContact O-CB 3.45Å; P982-K985 PolarHBondContact O-N 3.3Å; S983-K985 VanDerWaalsContact C-N 3.31Å
986V90.7Very high87.7Confident4 Ų432.7 Ų32.72%0.02418%0.178CC..  trans-87.9159.7172.1-91.10000111.8V867 A868 D874 L878 V998V867-V986 CarbonylContact O-C 3.53Å; V867-V986 WeakPolarHBondContact O-CA 3.34Å; V867-V986 WeakPolarHBondContact O-CG1 3.2Å; A868-V986 HydrophobicContact CB-CG1 3.64Å; D874-V986 WeakPolarHBondContact OD2-CG2 3.39Å; L878-V986 HydrophobicContact CB-CG1 4.38Å; L878-V986 HydrophobicContact CD2-CB 3.73Å; L878-V986 HydrophobicContact CD2-CG1 3.61Å; V986-V998 WeakPolarHBondContact CG2-O 3.43Å
987G91.3Very high87.3Confident0 Ų036.9 Ų36.90%020%0.199CC..EExtended strand (participates in β ladder)trans-170.3166.5174.900000111.7V867 L995V867-G987 PolarHBondContact N-O 3.48Å; V867-G987 PolarHBondContact O-N 2.73Å; G987-L995 WeakPolarHBondContact CA-O 3.42Å
988L93Very high87.3Confident0 Ų029.4 Ų29.40%017%0.171CC..EExtended strand (participates in β ladder)trans-123.1148.4-179.8-114.469.8000110.6L864 V866 L878 I990 L995 F1003 I1012L864-L988 HydrophobicContact CD1-CD2 3.8Å; L864-L988 HydrophobicContact CD1-CG 3.97Å; V866-L988 HydrophobicContact CG1-CD1 4.26Å; V866-L988 HydrophobicContact CG2-CD1 4.49Å; L878-L988 HydrophobicContact CD1-CD1 4.13Å; L878-L988 HydrophobicContact CD2-CD1 3.94Å; L878-L988 HydrophobicContact CG-CD1 4.33Å; L988-I990 HydrophobicContact CD2-CD1 4.19Å; L988-I990 HydrophobicContact CD2-CG1 4.26Å; L988-L995 HydrophobicContact CB-CB 4.03Å; L988-L995 HydrophobicContact CB-CD1 4.2Å; L988-L995 HydrophobicContact CB-CG 4.38Å; L988-L995 PolarHBondContact N-O 3Å; L988-L995 PolarHBondContact O-N 2.93Å; L988-F1003 HydrophobicContact CD2-CD1 4.15Å; L988-F1003 HydrophobicContact CD2-CE1 4.14Å; L988-F1003 HydrophobicContact CD2-CG 4.4Å; L988-F1003 HydrophobicContact CD2-CZ 4.33Å; L988-I1012 HydrophobicContact CD2-CD1 3.74Å
989I93.7Very high87.3Confident1 Ų131 Ų311%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-126.1123.4164.5-55.783000108.5L799 L864 W865 V867 L979 G992 I993L799-I989 HydrophobicContact CD1-CG2 3.99Å; L864-I989 CarbonylContact C-O 3.6Å; L864-I989 WeakPolarHBondContact CA-O 3.34Å; W865-I989 HydrophobicContact CB-CB 4.12Å; W865-I989 HydrophobicContact CB-CD1 4.13Å; W865-I989 HydrophobicContact CE3-CB 4.23Å; W865-I989 HydrophobicContact CE3-CD1 4.42Å; W865-I989 HydrophobicContact CE3-CG1 4.32Å; W865-I989 HydrophobicContact CE3-CG2 4.27Å; W865-I989 PolarHBondContact N-O 2.7Å; W865-I989 PolarHBondContact O-N 2.87Å; V867-I989 HydrophobicContact CG2-CD1 3.38Å; L979-I989 HydrophobicContact CD1-CD1 3.76Å; L979-I989 HydrophobicContact CD1-CG1 4.42Å; L979-I989 HydrophobicContact CD2-CD1 4.16Å; L979-I989 HydrophobicContact CD2-CG1 3.89Å; I989-G992 VanDerWaalsContact CG2-CA 3.44Å; I989-I993 CarbonylContact C-O 3.52Å; I989-I993 WeakPolarHBondContact CA-O 3.26Å
990I92.6Very high87.1Confident4 Ų431.5 Ų31.52%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-118101.5-169.7-64.5171.2000108.2L864 L988 G992 I993 L995 I1012 L1016L864-I990 HydrophobicContact CD1-CG1 3.79Å; L988-I990 HydrophobicContact CD2-CD1 4.19Å; L988-I990 HydrophobicContact CD2-CG1 4.26Å; I990-G992 PolarHBondContact O-N 3.28Å; I990-I993 HydrophobicContact CB-CB 4.49Å; I990-I993 PolarHBondContact N-O 3.31Å; I990-I993 WeakPolarHBondContact O-CB 3.49Å; I990-I993 PolarHBondContact O-N 2.93Å; I990-L995 HydrophobicContact CD1-CD1 3.49Å; I990-L995 VanDerWaalsContact CD1-CD1 3.49Å; I990-L995 HydrophobicContact CD1-CG 4.05Å; I990-I1012 HydrophobicContact CD1-CD1 3.72Å; I990-I1012 HydrophobicContact CD1-CG1 3.91Å; I990-I1012 HydrophobicContact CD1-CG2 4.18Å; I990-I1012 HydrophobicContact CG1-CD1 4.26Å; I990-I1012 HydrophobicContact CG1-CG2 4.17Å; I990-I1012 HydrophobicContact CG2-CG2 3.58Å; I990-L1016 HydrophobicContact CG2-CD1 3.51Å; I990-L1016 HydrophobicContact CG2-CD2 3.89Å; I990-L1016 HydrophobicContact CG2-CG 3.76Å
991N91.8Very high87.1Confident0 Ų034.9 Ų34.90%020%0.195CC..THydrogen-bonded Turntrans43.139.9-168.7-83.7-9.6000113.2P861 T863 L1016 C1021 F1048 S1049P861-N991 PolarHBondContact O-ND2 2.77Å; T863-N991 WeakPolarHBondContact CA-OD1 3.38Å; T863-N991 VanDerWaalsContact CB-OD1 3.24Å; T863-N991 WeakPolarHBondContact CB-OD1 3.36Å; T863-N991 PolarHBondContact N-OD1 3.2Å; T863-N991 PolarHBondContact O-N 2.7Å; T863-N991 PolarHBondContact O-OD1 2.85Å; T863-N991 PolarHBondContact OG1-OD1 2.65Å; N991-L1016 HydrophobicContact CB-CD1 4.1Å; N991-L1016 HydrophobicContact CB-CD2 3.98Å; N991-C1021 PolarHBondContact ND2-SG 2.92Å; N991-F1048 HydrophobicContact CB-CD1 3.52Å; N991-F1048 HydrophobicContact CB-CE1 4.07Å; N991-F1048 HydrophobicContact CB-CG 4.31Å; N991-S1049 WeakPolarHBondContact O-CB 3.32Å
992G89.9Confident86.8Confident0 Ų036.4 Ų36.40%020%0.203CC..THydrogen-bonded Turntrans90.8-11.2-178.600000116.2A798 L799 I989 I990A798-G992 CarbonylContact C-O 3.58Å; A798-G992 WeakPolarHBondContact CA-O 3.33Å; L799-G992 PolarHBondContact N-O 2.91Å; I989-G992 VanDerWaalsContact CG2-CA 3.44Å; I990-G992 PolarHBondContact O-N 3.28Å
993I89.7Confident86.8Confident6 Ų632.8 Ų32.83%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-72.4127.2170.6-61.6179.8000109.5N796 I989 I990 Y1015 F1048 K1052N796-I993 HydrophobicContact CB-CG2 3.34Å; I989-I993 CarbonylContact C-O 3.52Å; I989-I993 WeakPolarHBondContact CA-O 3.26Å; I990-I993 HydrophobicContact CB-CB 4.49Å; I990-I993 PolarHBondContact N-O 3.31Å; I990-I993 WeakPolarHBondContact O-CB 3.49Å; I990-I993 PolarHBondContact O-N 2.93Å; I993-Y1015 HydrophobicContact CD1-CE1 4.43Å; I993-F1048 HydrophobicContact CD1-CE1 3.56Å; I993-F1048 HydrophobicContact CD1-CZ 3.99Å; I993-F1048 HydrophobicContact CG1-CE1 3.99Å; I993-K1052 HydrophobicContact CD1-CG 3.9Å; I993-K1052 HydrophobicContact CG1-CG 4.07Å
994I89.8Confident86.5Confident22 Ų2233.3 Ų33.311%0.11318%0.183CC..EExtended strand (participates in β ladder)trans-93.8122.9-176.3-52.9167.3000111K797 L799 L979K797-I994 WeakPolarHBondContact O-CB 3.35Å; K797-I994 WeakPolarHBondContact O-CG1 3.31Å; K797-I994 PolarHBondContact O-N 2.93Å; L799-I994 HydrophobicContact CD2-CD1 3.93Å; L799-I994 HydrophobicContact CD2-CG1 4.48Å; L799-I994 HydrophobicContact CG-CD1 4.03Å; L799-I994 HydrophobicContact CG-CG1 4.07Å; L979-I994 HydrophobicContact CD2-CD1 4Å; L979-I994 HydrophobicContact CD2-CG1 4.05Å
995L88.8Confident86.4Confident5 Ų533.7 Ų33.73%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-107.1103.9166.9-56.6-171.6000109.6K790 V791 N796 G987 L988 I990 V998 F1003K790-L995 WeakPolarHBondContact O-CD2 3.43Å; V791-L995 HydrophobicContact CG2-CD1 4.48Å; N796-L995 HydrophobicContact CB-CD2 4.09Å; N796-L995 VanDerWaalsContact ND2-CD2 3.34Å; N796-L995 WeakPolarHBondContact ND2-CD2 3.48Å; N796-L995 VanDerWaalsContact OD1-CD2 3.27Å; N796-L995 WeakPolarHBondContact OD1-CD2 3.48Å; G987-L995 WeakPolarHBondContact CA-O 3.42Å; L988-L995 HydrophobicContact CB-CB 4.03Å; L988-L995 HydrophobicContact CB-CD1 4.2Å; L988-L995 HydrophobicContact CB-CG 4.38Å; L988-L995 PolarHBondContact N-O 3Å; L988-L995 PolarHBondContact O-N 2.93Å; I990-L995 HydrophobicContact CD1-CD1 3.49Å; I990-L995 VanDerWaalsContact CD1-CD1 3.49Å; I990-L995 HydrophobicContact CD1-CG 4.05Å; L995-V998 HydrophobicContact CB-CG2 3.65Å; L995-F1003 HydrophobicContact CD1-CE2 4.42Å; L995-F1003 HydrophobicContact CD1-CZ 3.92Å
996S78.4Confident86Confident55 Ų5530 Ų3039%0.38517%0.172SC..  trans-101.4-16.9-17056.70000116.2
997D77.4Confident85.6Confident125 Ų12534 Ų3467%0.66819%0.19SC*.SBendtrans-112.175.9174.5-171.938.2000110.8K790K790-D997 WeakPolarHBondContact CE-O 3.49Å; K790-D997 PolarHBondContact NZ-O 3.12Å
998V84.8Confident85.3Confident4 Ų434 Ų342%0.02419%0.19CC..  trans-127.9150.4-173.4178.10000109.7V986 L995 D1002 F1003V986-V998 WeakPolarHBondContact CG2-O 3.43Å; L995-V998 HydrophobicContact CB-CG2 3.65Å; V998-D1002 HydrophobicContact CG1-CB 4.4Å; V998-F1003 HydrophobicContact CG1-CD2 3.43Å; V998-F1003 VanDerWaalsContact CG1-CD2 3.43Å; V998-F1003 HydrophobicContact CG1-CE2 3.59Å; V998-F1003 HydrophobicContact CG2-CE2 4.16Å
999T84.4Confident85.1Confident40 Ų4034 Ų3425%0.24519%0.19CC..  trans-131.8166.1172.866.30000109.9K1001 D1002T999-K1001 PolarHBondContact O-N 3.22Å; T999-D1002 WeakPolarHBondContact CB-OD2 3.41Å; T999-D1002 PolarHBondContact N-OD2 3.18Å; T999-D1002 PolarHBondContact O-N 3.24Å; T999-D1002 VanDerWaalsContact O-N 3.12Å; T999-D1002 PolarHBondContact OG1-OD2 2.85Å
1000S81.9Confident84.8Confident15 Ų1535.1 Ų35.111%0.10520%0.2CC..G310 helixtrans-59.7-28.917460.70000113.4D874 D1002 F1003 S1004D874-S1000 WeakPolarHBondContact O-CB 3.49Å; D874-S1000 WeakPolarHBondContact OD1-CB 3.36Å; D874-S1000 PolarHBondContact OD1-N 3.08Å; D874-S1000 PolarHBondContact OD1-OG 3.05Å; S1000-D1002 VanDerWaalsContact C-N 3.29Å; S1000-D1002 PolarHBondContact O-N 2.93Å; S1000-F1003 CarbonylContact O-C 3.58Å; S1000-F1003 VanDerWaalsContact O-C 3.29Å; S1000-F1003 PolarHBondContact O-N 3.04Å; S1000-S1004 WeakPolarHBondContact O-CB 3.35Å; S1000-S1004 PolarHBondContact O-N 3.2Å
1001K83.1Confident84.4Confident176 Ų17635 Ų3577%0.76520%0.199SC*.G310 helixtrans-68.4-26.7177.6-64.2-175.1176.5-174.50113.2T999 F1003T999-K1001 PolarHBondContact O-N 3.22Å; K1001-F1003 VanDerWaalsContact C-N 3.33Å
1002D80.1Confident84.2Confident32 Ų3235 Ų3517%0.17120%0.199CC..G310 helixtrans-76.6-22.2177.6-60.4-72.3000112.3N788 K790 V998 T999 S1000N788-D1002 PolarHBondContact ND2-O 3.12Å; K790-D1002 HydrophobicContact CD-CB 4.34Å; K790-D1002 WeakPolarHBondContact CE-OD1 3.25Å; K790-D1002 IonicContact NZ-OD1 3.53Å; K790-D1002 PolarHBondContact NZ-OD1 2.87Å; K790-D1002 IonicContact NZ-OD2 3.42Å; K790-D1002 PolarHBondContact NZ-OD2 3.35Å; V998-D1002 HydrophobicContact CG1-CB 4.4Å; T999-D1002 WeakPolarHBondContact CB-OD2 3.41Å; T999-D1002 PolarHBondContact N-OD2 3.18Å; T999-D1002 PolarHBondContact O-N 3.24Å; T999-D1002 VanDerWaalsContact O-N 3.12Å; T999-D1002 PolarHBondContact OG1-OD2 2.85Å; S1000-D1002 VanDerWaalsContact C-N 3.29Å; S1000-D1002 PolarHBondContact O-N 2.93Å
1003F84.9Confident84.2Confident0 Ų036.1 Ų36.10%021%0.205CC..SBendtrans-139.962.6-176.2-65.4-88.2000110.1V791 L878 L988 L995 V998 S1000 K1001 D1008 F1009 I1012V791-F1003 HydrophobicContact CG2-CE1 3.59Å; V791-F1003 HydrophobicContact CG2-CZ 3.66Å; L878-F1003 HydrophobicContact CD1-CB 3.73Å; L988-F1003 HydrophobicContact CD2-CD1 4.15Å; L988-F1003 HydrophobicContact CD2-CE1 4.14Å; L988-F1003 HydrophobicContact CD2-CG 4.4Å; L988-F1003 HydrophobicContact CD2-CZ 4.33Å; L995-F1003 HydrophobicContact CD1-CE2 4.42Å; L995-F1003 HydrophobicContact CD1-CZ 3.92Å; V998-F1003 HydrophobicContact CG1-CD2 3.43Å; V998-F1003 VanDerWaalsContact CG1-CD2 3.43Å; V998-F1003 HydrophobicContact CG1-CE2 3.59Å; V998-F1003 HydrophobicContact CG2-CE2 4.16Å; S1000-F1003 CarbonylContact O-C 3.58Å; S1000-F1003 VanDerWaalsContact O-C 3.29Å; S1000-F1003 PolarHBondContact O-N 3.04Å; K1001-F1003 VanDerWaalsContact C-N 3.33Å; F1003-D1008 HydrophobicContact CB-CB 4.45Å; F1003-D1008 HydrophobicContact CD1-CB 3.8Å; F1003-D1008 HydrophobicContact CG-CB 4.49Å; F1003-F1009 HydrophobicContact CB-CE2 4.22Å; F1003-F1009 HydrophobicContact CB-CZ 3.99Å; F1003-I1012 HydrophobicContact CD1-CD1 4.11Å; F1003-I1012 HydrophobicContact CE1-CD1 3.76Å; F1003-I1012 HydrophobicContact CE1-CG1 4.42Å
1004S79.9Confident83.9Confident79 Ų7939.3 Ų39.355%0.55222%0.218SC*.  trans-103.2-21-173.658.40000114S1000 D1008S1000-S1004 WeakPolarHBondContact O-CB 3.35Å; S1000-S1004 PolarHBondContact O-N 3.2Å; S1004-D1008 PolarHBondContact N-OD2 2.84Å; S1004-D1008 VanDerWaalsContact N-OD2 3.11Å
1005S80.3Confident83.6Confident30 Ų3039.5 Ų39.521%0.2122%0.218CC..SBendtrans-113.3160.2-179.572.40000111.8K786 E1007 D1008 F1009K786-S1005 PolarHBondContact NZ-OG 3.43Å; S1005-E1007 WeakPolarHBondContact CB-OE2 3.33Å; S1005-E1007 PolarHBondContact O-N 3.44Å; S1005-E1007 PolarHBondContact OG-OE2 3.38Å; S1005-D1008 PolarHBondContact N-OD2 2.88Å; S1005-D1008 VanDerWaalsContact N-OD2 3.08Å; S1005-D1008 WeakPolarHBondContact O-CB 3.06Å; S1005-D1008 PolarHBondContact O-N 2.8Å; S1005-D1008 PolarHBondContact OG-OD2 3.16Å; S1005-F1009 WeakPolarHBondContact O-CD2 3.12Å
1006A80Confident83.4Confident32 Ų3239.3 Ų39.326%0.26422%0.216SC..Hα-helixtrans-68.7-22.3179.200000112.3D1008 F1009 A1010A1006-D1008 VanDerWaalsContact C-N 3.28Å; A1006-D1008 PolarHBondContact O-N 3.36Å; A1006-F1009 PolarHBondContact O-N 3.05Å; A1006-A1010 PolarHBondContact O-N 3.42Å
1007E82Confident83.6Confident87 Ų8738.6 Ų38.641%0.40721%0.208SC..Hα-helixtrans-64.9-31173.9-52.898.5177.800112.4P785 K786 S1005 F1009 A1010 L1011P785-E1007 HydrophobicContact CG-CB 4.22Å; P785-E1007 HydrophobicContact CG-CG 3.86Å; K786-E1007 HydrophobicContact CB-CB 3.93Å; K786-E1007 HydrophobicContact CD-CB 4.38Å; S1005-E1007 WeakPolarHBondContact CB-OE2 3.33Å; S1005-E1007 PolarHBondContact O-N 3.44Å; S1005-E1007 PolarHBondContact OG-OE2 3.38Å; E1007-F1009 VanDerWaalsContact C-N 3.27Å; E1007-F1009 PolarHBondContact O-N 2.97Å; E1007-A1010 PolarHBondContact O-N 3.2Å; E1007-L1011 WeakPolarHBondContact O-CB 3.38Å; E1007-L1011 PolarHBondContact O-N 3.31Å
1008D85.1Confident83.5Confident0 Ų033.8 Ų33.80%018%0.184CC..Hα-helixtrans-60.5-39.4176.4-66.1-51.4000111.4K786 F1003 S1004 S1005 A1006 I1012K786-D1008 WeakPolarHBondContact CD-OD1 3.19Å; K786-D1008 WeakPolarHBondContact CE-OD1 3.41Å; K786-D1008 IonicContact NZ-OD1 3.59Å; K786-D1008 PolarHBondContact NZ-OD1 3.21Å; K786-D1008 IonicContact NZ-OD2 3.47Å; K786-D1008 PolarHBondContact NZ-OD2 3.09Å; F1003-D1008 HydrophobicContact CB-CB 4.45Å; F1003-D1008 HydrophobicContact CD1-CB 3.8Å; F1003-D1008 HydrophobicContact CG-CB 4.49Å; S1004-D1008 PolarHBondContact N-OD2 2.84Å; S1004-D1008 VanDerWaalsContact N-OD2 3.11Å; S1005-D1008 PolarHBondContact N-OD2 2.88Å; S1005-D1008 VanDerWaalsContact N-OD2 3.08Å; S1005-D1008 WeakPolarHBondContact O-CB 3.06Å; S1005-D1008 PolarHBondContact O-N 2.8Å; S1005-D1008 PolarHBondContact OG-OD2 3.16Å; A1006-D1008 VanDerWaalsContact C-N 3.28Å; A1006-D1008 PolarHBondContact O-N 3.36Å; D1008-I1012 WeakPolarHBondContact O-CG1 3.45Å; D1008-I1012 PolarHBondContact O-N 2.85Å
1009F88.7Confident83Confident1 Ų134.4 Ų34.40%0.00419%0.189CC..Hα-helixtrans-79.3-33176.8-60.5-89.9000112L864 A881 A882 L889 F1003 S1005 A1006 E1007 L1011 I1012 E1013L864-F1009 HydrophobicContact CD2-CD1 3.95Å; L864-F1009 HydrophobicContact CD2-CE1 3.78Å; A881-F1009 HydrophobicContact CB-CE2 3.87Å; A881-F1009 HydrophobicContact CB-CZ 4.07Å; A882-F1009 HydrophobicContact CB-CE1 3.75Å; A882-F1009 HydrophobicContact CB-CZ 4.04Å; L889-F1009 HydrophobicContact CD1-CB 3.73Å; F1003-F1009 HydrophobicContact CB-CE2 4.22Å; F1003-F1009 HydrophobicContact CB-CZ 3.99Å; S1005-F1009 WeakPolarHBondContact O-CD2 3.12Å; A1006-F1009 PolarHBondContact O-N 3.05Å; E1007-F1009 VanDerWaalsContact C-N 3.27Å; E1007-F1009 PolarHBondContact O-N 2.97Å; F1009-L1011 VanDerWaalsContact C-N 3.34Å; F1009-I1012 HydrophobicContact CD1-CD1 4.43Å; F1009-I1012 WeakPolarHBondContact O-CB 3.22Å; F1009-I1012 PolarHBondContact O-N 2.98Å; F1009-I1012 VanDerWaalsContact O-N 3.14Å; F1009-E1013 PolarHBondContact O-N 3.45Å
1010A86.1Confident82.6Confident25 Ų2532.5 Ų32.521%0.20718%0.177CC..Hα-helixtrans-65.5-36.4173.500000112.2L889 A1006 E1007 E1013 K1014L889-A1010 HydrophobicContact CD2-CB 4.06Å; A1006-A1010 PolarHBondContact O-N 3.42Å; E1007-A1010 PolarHBondContact O-N 3.2Å; A1010-E1013 PolarHBondContact O-N 3.04Å; A1010-K1014 WeakPolarHBondContact O-CG 3.13Å; A1010-K1014 PolarHBondContact O-N 2.99Å
1011L85.6Confident82.6Confident0 Ų031.8 Ų31.80%017%0.172CC..Hα-helixtrans-59.2-45.7168159.366.4000111.1L784 N788 V791 L792 E1007 F1009 E1013 K1014 Y1015L784-L1011 HydrophobicContact CD1-CB 4.15Å; L784-L1011 HydrophobicContact CD1-CD1 3.44Å; L784-L1011 VanDerWaalsContact CD1-CD1 3.44Å; L784-L1011 HydrophobicContact CD1-CG 4.36Å; N788-L1011 HydrophobicContact CB-CD2 3.32Å; V791-L1011 HydrophobicContact CB-CD2 4.33Å; V791-L1011 HydrophobicContact CG1-CG 4.41Å; V791-L1011 HydrophobicContact CG2-CD2 4.33Å; L792-L1011 HydrophobicContact CD2-CD1 4.18Å; E1007-L1011 WeakPolarHBondContact O-CB 3.38Å; E1007-L1011 PolarHBondContact O-N 3.31Å; F1009-L1011 VanDerWaalsContact C-N 3.34Å; L1011-E1013 VanDerWaalsContact C-N 3.33Å; L1011-E1013 PolarHBondContact O-N 2.99Å; L1011-K1014 PolarHBondContact O-N 3.45Å; L1011-Y1015 WeakPolarHBondContact O-CB 3.02Å; L1011-Y1015 PolarHBondContact O-N 3.46Å
1012I87.8Confident82.7Confident0 Ų030.2 Ų30.20%017%0.165CC..Hα-helixtrans-58.5-45.2176.2-68.2170.9000111V791 L864 L988 I990 F1003 D1008 F1009 Y1015 L1016V791-I1012 HydrophobicContact CG1-CG1 4.1Å; V791-I1012 HydrophobicContact CG2-CD1 4.48Å; V791-I1012 HydrophobicContact CG2-CG1 3.93Å; L864-I1012 HydrophobicContact CD1-CD1 4.41Å; L988-I1012 HydrophobicContact CD2-CD1 3.74Å; I990-I1012 HydrophobicContact CD1-CD1 3.72Å; I990-I1012 HydrophobicContact CD1-CG1 3.91Å; I990-I1012 HydrophobicContact CD1-CG2 4.18Å; I990-I1012 HydrophobicContact CG1-CD1 4.26Å; I990-I1012 HydrophobicContact CG1-CG2 4.17Å; I990-I1012 HydrophobicContact CG2-CG2 3.58Å; F1003-I1012 HydrophobicContact CD1-CD1 4.11Å; F1003-I1012 HydrophobicContact CE1-CD1 3.76Å; F1003-I1012 HydrophobicContact CE1-CG1 4.42Å; D1008-I1012 WeakPolarHBondContact O-CG1 3.45Å; D1008-I1012 PolarHBondContact O-N 2.85Å; F1009-I1012 HydrophobicContact CD1-CD1 4.43Å; F1009-I1012 WeakPolarHBondContact O-CB 3.22Å; F1009-I1012 PolarHBondContact O-N 2.98Å; F1009-I1012 VanDerWaalsContact O-N 3.14Å; I1012-Y1015 PolarHBondContact O-N 3.37Å; I1012-L1016 HydrophobicContact CG2-CD1 4.18Å; I1012-L1016 WeakPolarHBondContact O-CB 3.42Å; I1012-L1016 PolarHBondContact O-N 2.95Å
1013E88.3Confident82.7Confident25 Ų2529 Ų2912%0.11716%0.159CC..Hα-helixtrans-60.8-51.7177.8-166.8-162.4-165.100111.3V862 N891 F1009 A1010 L1011 Y1015 L1016 L1017V862-E1013 HydrophobicContact CG2-CG 4.01Å; N891-E1013 VanDerWaalsContact CB-OE1 3.26Å; N891-E1013 WeakPolarHBondContact CB-OE1 3.45Å; N891-E1013 PolarHBondContact ND2-OE1 2.91Å; F1009-E1013 PolarHBondContact O-N 3.45Å; A1010-E1013 PolarHBondContact O-N 3.04Å; L1011-E1013 VanDerWaalsContact C-N 3.33Å; L1011-E1013 PolarHBondContact O-N 2.99Å; E1013-Y1015 PolarHBondContact O-N 3.25Å; E1013-L1016 PolarHBondContact O-N 2.85Å; E1013-L1017 HydrophobicContact CG-CD1 3.9Å; E1013-L1017 HydrophobicContact CG-CG 4.5Å; E1013-L1017 WeakPolarHBondContact O-CB 3.37Å; E1013-L1017 VanDerWaalsContact O-CG 3.25Å; E1013-L1017 WeakPolarHBondContact O-CG 3.38Å; E1013-L1017 PolarHBondContact O-N 2.8Å
1014K84.3Confident82.5Confident73 Ų7329 Ų2932%0.31716%0.159SC..Hα-helixtrans-61.4-43.4178.2-70.9-143.4-162.8174.70112.5P781 V783 L784 A1010 L1011 L1017 S1018P781-K1014 WeakPolarHBondContact O-CD 3.3Å; P781-K1014 PolarHBondContact O-NZ 2.85Å; V783-K1014 PolarHBondContact O-NZ 3.44Å; L784-K1014 HydrophobicContact CD1-CB 4.35Å; L784-K1014 HydrophobicContact CD1-CD 4.45Å; L784-K1014 HydrophobicContact CD2-CB 4.36Å; L784-K1014 HydrophobicContact CD2-CD 3.55Å; L784-K1014 HydrophobicContact CD2-CG 3.96Å; L784-K1014 HydrophobicContact CG-CD 3.99Å; A1010-K1014 WeakPolarHBondContact O-CG 3.13Å; A1010-K1014 PolarHBondContact O-N 2.99Å; L1011-K1014 PolarHBondContact O-N 3.45Å; K1014-L1017 PolarHBondContact O-N 2.8Å; K1014-S1018 WeakPolarHBondContact O-CB 3.31Å; K1014-S1018 PolarHBondContact O-N 2.86Å; K1014-S1018 PolarHBondContact O-OG 3.33Å
1015Y82.8Confident82.8Confident26 Ų2625.5 Ų25.510%0.10214%0.135CC..Hα-helixtrans-57.9-53.3178.4171.5-101.8000110.9F496 V791 L792 I993 L1011 I1012 E1013 L1017 S1018 S1019F496-Y1015 AromaticContact CE2-CD2 3.7Å; F496-Y1015 HydrophobicContact CE2-CD2 3.7Å; F496-Y1015 HydrophobicContact CE2-CE2 4.34Å; F496-Y1015 AromaticContact CZ-CD2 3.77Å; F496-Y1015 HydrophobicContact CZ-CD2 3.77Å; V791-Y1015 HydrophobicContact CG1-CD1 4.04Å; V791-Y1015 HydrophobicContact CG1-CG 4.12Å; L792-Y1015 HydrophobicContact CD2-CD2 3.71Å; L792-Y1015 HydrophobicContact CD2-CE2 4.17Å; I993-Y1015 HydrophobicContact CD1-CE1 4.43Å; L1011-Y1015 WeakPolarHBondContact O-CB 3.02Å; L1011-Y1015 PolarHBondContact O-N 3.46Å; I1012-Y1015 PolarHBondContact O-N 3.37Å; E1013-Y1015 PolarHBondContact O-N 3.25Å; Y1015-L1017 PolarHBondContact O-N 2.94Å; Y1015-S1018 PolarHBondContact O-N 2.71Å; Y1015-S1018 PolarHBondContact O-OG 2.95Å; Y1015-S1019 VanDerWaalsContact O-CB 3.28Å; Y1015-S1019 WeakPolarHBondContact O-CB 3.35Å; Y1015-S1019 PolarHBondContact O-N 3.42Å; Y1015-S1019 PolarHBondContact O-OG 3.47Å
1016L84.4Confident83Confident0 Ų026.2 Ų26.20%014%0.14CC..Hα-helixtrans-61.7-45.5178.2-77.6178.2000112.9V862 I990 N991 I1012 E1013 S1018 S1019 C1021 F1048V862-L1016 HydrophobicContact CB-CD1 4.27Å; V862-L1016 HydrophobicContact CG1-CD1 3.8Å; V862-L1016 HydrophobicContact CG2-CB 4.15Å; V862-L1016 HydrophobicContact CG2-CD1 3.93Å; I990-L1016 HydrophobicContact CG2-CD1 3.51Å; I990-L1016 HydrophobicContact CG2-CD2 3.89Å; I990-L1016 HydrophobicContact CG2-CG 3.76Å; N991-L1016 HydrophobicContact CB-CD1 4.1Å; N991-L1016 HydrophobicContact CB-CD2 3.98Å; I1012-L1016 HydrophobicContact CG2-CD1 4.18Å; I1012-L1016 WeakPolarHBondContact O-CB 3.42Å; I1012-L1016 PolarHBondContact O-N 2.95Å; E1013-L1016 PolarHBondContact O-N 2.85Å; L1016-S1018 VanDerWaalsContact C-N 3.31Å; L1016-S1018 PolarHBondContact O-N 3.36Å; L1016-S1019 PolarHBondContact O-N 2.83Å; L1016-C1021 HydrophobicContact CB-CB 4.38Å; L1016-C1021 WeakPolarHBondContact O-CB 3.44Å; L1016-C1021 PolarHBondContact O-N 2.9Å; L1016-C1021 PolarHBondContact O-SG 3.35Å; L1016-C1021 VanDerWaalsContact O-SG 3.38Å; L1016-F1048 HydrophobicContact CD2-CD1 4.01Å; L1016-F1048 HydrophobicContact CD2-CE1 3.25Å; L1016-F1048 HydrophobicContact CD2-CE2 4.25Å; L1016-F1048 HydrophobicContact CD2-CZ 3.4Å; L1016-F1048 VanDerWaalsContact CD2-CZ 3.4Å
1017L84.3Confident82.8Confident41 Ų4124.8 Ų24.822%0.21513%0.128CC..Iπ-helixtrans-62.5-38.2-179.2-72.8174.7000112.3P861 E1013 K1014 Y1015 K1022P861-L1017 HydrophobicContact CB-CD2 4.08Å; P861-L1017 HydrophobicContact CG-CD2 3.73Å; E1013-L1017 HydrophobicContact CG-CD1 3.9Å; E1013-L1017 HydrophobicContact CG-CG 4.5Å; E1013-L1017 WeakPolarHBondContact O-CB 3.37Å; E1013-L1017 VanDerWaalsContact O-CG 3.25Å; E1013-L1017 WeakPolarHBondContact O-CG 3.38Å; E1013-L1017 PolarHBondContact O-N 2.8Å; K1014-L1017 PolarHBondContact O-N 2.8Å; Y1015-L1017 PolarHBondContact O-N 2.94Å; L1017-K1022 HydrophobicContact CB-CB 4.49Å; L1017-K1022 HydrophobicContact CD2-CB 4.18Å; L1017-K1022 WeakPolarHBondContact O-CB 3.34Å; L1017-K1022 PolarHBondContact O-N 3.08Å
1018S75.1Confident82.6Confident23 Ų2320.7 Ų20.716%0.16111%0.108CC..Iπ-helixtrans-78.4-32.9176.257.90000113.6F496 K1014 Y1015 L1016 G1020F496-S1018 WeakPolarHBondContact CZ-OG 3.32Å; K1014-S1018 WeakPolarHBondContact O-CB 3.31Å; K1014-S1018 PolarHBondContact O-N 2.86Å; K1014-S1018 PolarHBondContact O-OG 3.33Å; Y1015-S1018 PolarHBondContact O-N 2.71Å; Y1015-S1018 PolarHBondContact O-OG 2.95Å; L1016-S1018 VanDerWaalsContact C-N 3.31Å; L1016-S1018 PolarHBondContact O-N 3.36Å; S1018-G1020 PolarHBondContact O-N 2.83Å
1019S73.9Confident82.4Confident17 Ų1727.1 Ų27.112%0.11913%0.133CC..Iπ-helixtrans-71.820.5171.3-63.50000114.1Y1015 L1016 F1048Y1015-S1019 VanDerWaalsContact O-CB 3.28Å; Y1015-S1019 WeakPolarHBondContact O-CB 3.35Å; Y1015-S1019 PolarHBondContact O-N 3.42Å; Y1015-S1019 PolarHBondContact O-OG 3.47Å; L1016-S1019 PolarHBondContact O-N 2.83Å; S1019-F1048 WeakPolarHBondContact O-CE2 3.24Å
1020G76.1Confident81.8Confident0 Ų032 Ų320%015%0.154CC..Iπ-helixtrans94.9-4173.700000116.6S1018 K1022 V1023 I1024S1018-G1020 PolarHBondContact O-N 2.83Å; G1020-K1022 PolarHBondContact O-N 2.74Å; G1020-V1023 WeakPolarHBondContact O-CA 3.26Å; G1020-V1023 WeakPolarHBondContact O-CB 3.37Å; G1020-V1023 PolarHBondContact O-N 3.41Å; G1020-I1024 WeakPolarHBondContact O-CG1 3.38Å; G1020-I1024 PolarHBondContact O-N 2.79Å
1021C82.6Confident81.1Confident0 Ų033.3 Ų33.30%015%0.154CC..Iπ-helixtrans-60.7-29.1174.5-65.40000112.5N991 L1016 A1025 V1044 F1048N991-C1021 PolarHBondContact ND2-SG 2.92Å; L1016-C1021 HydrophobicContact CB-CB 4.38Å; L1016-C1021 WeakPolarHBondContact O-CB 3.44Å; L1016-C1021 PolarHBondContact O-N 2.9Å; L1016-C1021 PolarHBondContact O-SG 3.35Å; L1016-C1021 VanDerWaalsContact O-SG 3.38Å; C1021-A1025 WeakPolarHBondContact O-CB 3.44Å; C1021-A1025 PolarHBondContact O-N 2.76Å; C1021-V1044 HydrophobicContact CB-CG1 4.34Å; C1021-F1048 WeakPolarHBondContact SG-CD2 3.47Å; C1021-F1048 VanDerWaalsContact SG-CG 3.53Å
1022K83.6Confident80.5Confident143 Ų14340 Ų4062%0.62219%0.189SC*.Hα-helixtrans-63.9-42172.3-173.2-177.3177.8-172.10111.9L1017 G1020 S1026L1017-K1022 HydrophobicContact CB-CB 4.49Å; L1017-K1022 HydrophobicContact CD2-CB 4.18Å; L1017-K1022 WeakPolarHBondContact O-CB 3.34Å; L1017-K1022 PolarHBondContact O-N 3.08Å; G1020-K1022 PolarHBondContact O-N 2.74Å; K1022-S1026 WeakPolarHBondContact O-CB 3.49Å; K1022-S1026 PolarHBondContact O-N 2.98Å
1023V80.2Confident79.9Confident6 Ų640.4 Ų40.44%0.03619%0.192CC..Hα-helixtrans-62.2-53.3174-1780000110.1R486 I487 E490 G1020 A1025 S1026 Q1027R486-V1023 HydrophobicContact CB-CG1 3.56Å; I487-V1023 HydrophobicContact CG1-CB 4.17Å; I487-V1023 HydrophobicContact CG1-CG1 4.03Å; E490-V1023 HydrophobicContact CG-CG2 4.37Å; E490-V1023 WeakPolarHBondContact OE1-CG2 3.35Å; E490-V1023 WeakPolarHBondContact OE2-CG2 3.29Å; G1020-V1023 WeakPolarHBondContact O-CA 3.26Å; G1020-V1023 WeakPolarHBondContact O-CB 3.37Å; G1020-V1023 PolarHBondContact O-N 3.41Å; V1023-A1025 VanDerWaalsContact C-N 3.32Å; V1023-A1025 PolarHBondContact O-N 2.89Å; V1023-S1026 WeakPolarHBondContact O-CA 3.41Å; V1023-S1026 WeakPolarHBondContact O-CB 3.32Å; V1023-S1026 PolarHBondContact O-N 3.25Å; V1023-S1026 PolarHBondContact O-OG 2.91Å; V1023-Q1027 WeakPolarHBondContact O-CG 3.27Å; V1023-Q1027 PolarHBondContact O-N 2.9Å; V1023-Q1027 VanDerWaalsContact O-N 3.08Å
1024I82Confident79.3Confident1 Ų141.9 Ų41.91%0.00520%0.204CC..Hα-helixtrans-54.5-49.8-179.2-63165.2000110.3L483 I487 G1020 S1026 Q1027 I1028 V1044 V1047 F1048 L1051L483-I1024 HydrophobicContact CD1-CB 4.41Å; L483-I1024 HydrophobicContact CD1-CG1 4.19Å; L483-I1024 HydrophobicContact CD1-CG2 4.49Å; I487-I1024 HydrophobicContact CD1-CD1 3.92Å; I487-I1024 HydrophobicContact CD1-CG1 3.43Å; I487-I1024 VanDerWaalsContact CD1-CG1 3.43Å; I487-I1024 HydrophobicContact CG1-CG1 4.36Å; G1020-I1024 WeakPolarHBondContact O-CG1 3.38Å; G1020-I1024 PolarHBondContact O-N 2.79Å; I1024-S1026 VanDerWaalsContact C-N 3.33Å; I1024-S1026 PolarHBondContact O-N 3.29Å; I1024-Q1027 PolarHBondContact O-N 3.29Å; I1024-I1028 HydrophobicContact CG2-CD1 3.6Å; I1024-I1028 HydrophobicContact CG2-CG1 4.44Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.23Å; I1024-I1028 PolarHBondContact O-N 2.89Å; I1024-V1044 HydrophobicContact CB-CG1 4.42Å; I1024-V1044 HydrophobicContact CG2-CB 4.24Å; I1024-V1044 HydrophobicContact CG2-CG1 4.05Å; I1024-V1044 HydrophobicContact CG2-CG2 4.25Å; I1024-V1047 HydrophobicContact CD1-CG1 4.03Å; I1024-V1047 HydrophobicContact CG1-CG1 4.1Å; I1024-V1047 HydrophobicContact CG2-CB 4.09Å; I1024-V1047 HydrophobicContact CG2-CG1 3.96Å; I1024-F1048 HydrophobicContact CD1-CB 3.82Å; I1024-F1048 HydrophobicContact CD1-CD2 4.07Å; I1024-F1048 HydrophobicContact CD1-CG 4.45Å; I1024-L1051 HydrophobicContact CD1-CD1 4.18Å
1025A85.9Confident79.2Confident5 Ų541.5 Ų41.54%0.04120%0.203CC..Hα-helixtrans-59.7-39175.700000113.4L859 P861 C1021 V1023 Q1027 R1029 V1044L859-A1025 HydrophobicContact CD2-CB 3.62Å; P861-A1025 HydrophobicContact CB-CB 4.03Å; C1021-A1025 WeakPolarHBondContact O-CB 3.44Å; C1021-A1025 PolarHBondContact O-N 2.76Å; V1023-A1025 VanDerWaalsContact C-N 3.32Å; V1023-A1025 PolarHBondContact O-N 2.89Å; A1025-Q1027 VanDerWaalsContact C-N 3.34Å; A1025-Q1027 PolarHBondContact O-N 3.28Å; A1025-R1029 VanDerWaalsContact O-CG 3.31Å; A1025-R1029 WeakPolarHBondContact O-CG 3.37Å; A1025-R1029 PolarHBondContact O-N 2.86Å; A1025-R1029 VanDerWaalsContact O-N 3.07Å; A1025-V1044 HydrophobicContact CB-CG2 4.28Å
1026S83.9Confident78.9Confident46 Ų4645.7 Ų45.732%0.32222%0.223SC..Hα-helixtrans-66.5-32.8178.3800000113.4K1022 V1023 I1024K1022-S1026 WeakPolarHBondContact O-CB 3.49Å; K1022-S1026 PolarHBondContact O-N 2.98Å; V1023-S1026 WeakPolarHBondContact O-CA 3.41Å; V1023-S1026 WeakPolarHBondContact O-CB 3.32Å; V1023-S1026 PolarHBondContact O-N 3.25Å; V1023-S1026 PolarHBondContact O-OG 2.91Å; I1024-S1026 VanDerWaalsContact C-N 3.33Å; I1024-S1026 PolarHBondContact O-N 3.29Å
1027Q76.3Confident78.4Confident2 Ų252 Ų521%0.00926%0.257CS..Hα-helixtrans-78.9-44.2177-55.6-70.158.200110.7S482 L483 V1023 I1024 A1025 R1029 K1030 W1031S482-Q1027 PolarHBondContact OG-NE2 2.75Å; L483-Q1027 HydrophobicContact CD1-CB 4.07Å; L483-Q1027 HydrophobicContact CD1-CG 4.02Å; V1023-Q1027 WeakPolarHBondContact O-CG 3.27Å; V1023-Q1027 PolarHBondContact O-N 2.9Å; V1023-Q1027 VanDerWaalsContact O-N 3.08Å; I1024-Q1027 PolarHBondContact O-N 3.29Å; A1025-Q1027 VanDerWaalsContact C-N 3.34Å; A1025-Q1027 PolarHBondContact O-N 3.28Å; Q1027-R1029 PolarHBondContact O-N 3.45Å; Q1027-K1030 WeakPolarHBondContact O-CA 3.43Å; Q1027-K1030 WeakPolarHBondContact O-CB 3.49Å; Q1027-K1030 PolarHBondContact O-N 3.34Å; Q1027-W1031 HydrophobicContact CB-CH2 4.43Å; Q1027-W1031 HydrophobicContact CB-CZ2 4.12Å; Q1027-W1031 PolarHBondContact O-N 2.98Å
1028I78.1Confident78.2Confident0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-59.2-31.9176.3-68.7169.9000112.2L859 I1024 W1031 V1033 L1043 V1044L859-I1028 HydrophobicContact CD1-CB 4.13Å; L859-I1028 HydrophobicContact CD1-CG2 3.61Å; I1024-I1028 HydrophobicContact CG2-CD1 3.6Å; I1024-I1028 HydrophobicContact CG2-CG1 4.44Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.23Å; I1024-I1028 PolarHBondContact O-N 2.89Å; I1028-W1031 HydrophobicContact CB-CE3 4.18Å; I1028-W1031 HydrophobicContact CD1-CZ3 4.48Å; I1028-W1031 HydrophobicContact CG1-CE3 3.51Å; I1028-W1031 HydrophobicContact CG1-CZ3 3.52Å; I1028-W1031 PolarHBondContact O-N 3.07Å; I1028-V1033 HydrophobicContact CG2-CB 4Å; I1028-V1033 HydrophobicContact CG2-CG2 4.07Å; I1028-L1043 HydrophobicContact CD1-CB 3.97Å; I1028-L1043 HydrophobicContact CD1-CD2 4.02Å; I1028-L1043 HydrophobicContact CD1-CG 3.81Å; I1028-L1043 HydrophobicContact CG1-CD2 4.03Å; I1028-L1043 HydrophobicContact CG1-CG 4.35Å; I1028-L1043 HydrophobicContact CG2-CD2 4.34Å; I1028-V1044 HydrophobicContact CD1-CB 4.35Å; I1028-V1044 HydrophobicContact CD1-CG2 3.65Å
1029R80.6Confident78.5Confident136 Ų13653.1 Ų53.151%0.51326%0.261SS..Hα-helixtrans-65.7-38.4170.9-75.6174.7-177.4179.52.2113L859 A1025 Q1027 N1032L859-R1029 HydrophobicContact CD1-CG 4.31Å; A1025-R1029 VanDerWaalsContact O-CG 3.31Å; A1025-R1029 WeakPolarHBondContact O-CG 3.37Å; A1025-R1029 PolarHBondContact O-N 2.86Å; A1025-R1029 VanDerWaalsContact O-N 3.07Å; Q1027-R1029 PolarHBondContact O-N 3.45Å; R1029-N1032 PolarHBondContact O-N 3.12Å
1030K76.3Confident79Confident104 Ų10452.3 Ų52.345%0.45226%0.255SS..Hα-helixtrans-70.2-33.4174.9-62.9170.4-168.3169.30112.4Q1027 N1032Q1027-K1030 WeakPolarHBondContact O-CA 3.43Å; Q1027-K1030 WeakPolarHBondContact O-CB 3.49Å; Q1027-K1030 PolarHBondContact O-N 3.34Å; K1030-N1032 PolarHBondContact O-N 2.96Å; K1030-N1032 VanDerWaalsContact O-N 3.16Å; K1030-N1032 PolarHBondContact O-ND2 3.08Å
1031W70.6Confident79.7Confident52 Ų5252.4 Ų52.420%0.19726%0.256CS..THydrogen-bonded Turntrans-66.9-6.3174.8-62.3-19.9000114F458 E479 L483 Q1027 I1028 V1033 L1043F458-W1031 HydrophobicContact CD1-CH2 4.44Å; F458-W1031 AromaticContact CE1-CE3 3.97Å; F458-W1031 HydrophobicContact CE1-CE3 3.97Å; F458-W1031 AromaticContact CE1-CH2 3.52Å; F458-W1031 HydrophobicContact CE1-CH2 3.52Å; F458-W1031 HydrophobicContact CE1-CZ2 4.25Å; F458-W1031 AromaticContact CE1-CZ3 3.36Å; F458-W1031 HydrophobicContact CE1-CZ3 3.36Å; F458-W1031 HydrophobicContact CZ-CE3 4.33Å; F458-W1031 AromaticContact CZ-CH2 4Å; F458-W1031 HydrophobicContact CZ-CH2 4Å; F458-W1031 AromaticContact CZ-CZ3 3.57Å; F458-W1031 HydrophobicContact CZ-CZ3 3.57Å; E479-W1031 HydrophobicContact CB-CZ2 4.02Å; E479-W1031 PolarHBondContact OE2-NE1 3.49Å; L483-W1031 HydrophobicContact CD1-CH2 4.04Å; Q1027-W1031 HydrophobicContact CB-CH2 4.43Å; Q1027-W1031 HydrophobicContact CB-CZ2 4.12Å; Q1027-W1031 PolarHBondContact O-N 2.98Å; I1028-W1031 HydrophobicContact CB-CE3 4.18Å; I1028-W1031 HydrophobicContact CD1-CZ3 4.48Å; I1028-W1031 HydrophobicContact CG1-CE3 3.51Å; I1028-W1031 HydrophobicContact CG1-CZ3 3.52Å; I1028-W1031 PolarHBondContact O-N 3.07Å; W1031-V1033 HydrophobicContact CB-CG2 3.81Å; W1031-V1033 PolarHBondContact O-N 3.06Å; W1031-L1043 HydrophobicContact CE3-CD2 4.44Å
1032N74.3Confident79.9Confident140 Ų14053 Ų5375%0.74926%0.259SS*.THydrogen-bonded Turntrans52.434.9-179.1-62.8-56.8000113.4R1029 K1030R1029-N1032 PolarHBondContact O-N 3.12Å; K1030-N1032 PolarHBondContact O-N 2.96Å; K1030-N1032 VanDerWaalsContact O-N 3.16Å; K1030-N1032 PolarHBondContact O-ND2 3.08Å
1033V73.3Confident80Confident8 Ų846.3 Ų46.35%0.04823%0.23CC..  trans-67.8127.5179-178.20000109.6I1028 W1031 H1035 L1043I1028-V1033 HydrophobicContact CG2-CB 4Å; I1028-V1033 HydrophobicContact CG2-CG2 4.07Å; W1031-V1033 HydrophobicContact CB-CG2 3.81Å; W1031-V1033 PolarHBondContact O-N 3.06Å; V1033-H1035 PolarHBondContact O-N 2.67Å; V1033-H1035 PolarHBondContact O-ND1 3.17Å; V1033-L1043 HydrophobicContact CG1-CD2 4.27Å; V1033-L1043 HydrophobicContact CG2-CD2 4Å
1034P76.3Confident80.4Confident57 Ų5746 Ų4637%0.3723%0.228SC..  trans-51.8136.1-178.3-30.136000114.1S1040P1034-S1040 WeakPolarHBondContact O-CB 3.13Å; P1034-S1040 PolarHBondContact O-N 2.94Å; P1034-S1040 VanDerWaalsContact O-N 3.15Å
1035H82.5Confident80.8Confident65 Ų6546 Ų4630%0.30123%0.228SC..  trans-87.1-12.9178.1-56.3-24.8000113.6S857 V1033 G1038 S1040S857-H1035 WeakPolarHBondContact O-CB 3.24Å; V1033-H1035 PolarHBondContact O-N 2.67Å; V1033-H1035 PolarHBondContact O-ND1 3.17Å; H1035-G1038 PolarHBondContact O-N 3.37Å; H1035-G1038 VanDerWaalsContact O-N 3.15Å; H1035-S1040 PolarHBondContact ND1-OG 3.46Å
1036E77Confident80.9Confident114 Ų11445.9 Ų45.953%0.53323%0.226SC..G310 helixtrans-49.3145.4170.6-64.2174.6170.900112.3G1038 R1039E1036-G1038 PolarHBondContact O-N 3.34Å; E1036-R1039 VanDerWaalsContact O-CG 3.28Å; E1036-R1039 WeakPolarHBondContact O-CG 3.33Å; E1036-R1039 PolarHBondContact O-N 3.17Å; E1036-R1039 IonicContact OE2-CZ 2.63Å; E1036-R1039 IonicContact OE2-NH1 3.56Å; E1036-R1039 PolarHBondContact OE2-NH1 3.02Å; E1036-R1039 IonicContact OE2-NH2 2.62Å; E1036-R1039 PolarHBondContact OE2-NH2 2.97Å
1037D74.6Confident81Confident131 Ų13143.7 Ų43.770%0.70121%0.211SC*.G310 helixtrans50.68-174-47.2-37.9000115.6R1039D1037-R1039 VanDerWaalsContact C-N 3.34Å; D1037-R1039 HydrophobicContact CB-CG 4.32Å; D1037-R1039 IonicContact OD2-CZ 2.93Å; D1037-R1039 IonicContact OD2-NE 2.77Å; D1037-R1039 PolarHBondContact OD2-NE 3.1Å; D1037-R1039 IonicContact OD2-NH2 2.7Å; D1037-R1039 PolarHBondContact OD2-NH2 3.06Å
1038G79.8Confident81.5Confident18 Ų1844.1 Ų44.119%0.18621%0.213CC..G310 helixtrans76.412.4-170.200000114.6H1035 E1036 S1040 S1041 D1042H1035-G1038 PolarHBondContact O-N 3.37Å; H1035-G1038 VanDerWaalsContact O-N 3.15Å; E1036-G1038 PolarHBondContact O-N 3.34Å; G1038-S1040 VanDerWaalsContact C-N 3.34Å; G1038-S1040 PolarHBondContact O-N 3Å; G1038-S1041 CarbonylContact O-C 3.54Å; G1038-S1041 WeakPolarHBondContact O-CA 3.29Å; G1038-S1041 VanDerWaalsContact O-CB 3.28Å; G1038-S1041 WeakPolarHBondContact O-CB 3.2Å; G1038-S1041 PolarHBondContact O-N 3.15Å; G1038-D1042 PolarHBondContact O-N 3.16Å
1039R80.9Confident81.9Confident71 Ų7144.1 Ų44.127%0.26821%0.213SC..Hα-helixtrans-48.9-50.1-176.5-65170.2-153.8145.46.7112.5Y809 E1036 D1037 S1041 D1042 L1043Y809-R1039 HydrophobicContact CE1-CB 3.89Å; Y809-R1039 WeakPolarHBondContact CE1-O 3.41Å; E1036-R1039 VanDerWaalsContact O-CG 3.28Å; E1036-R1039 WeakPolarHBondContact O-CG 3.33Å; E1036-R1039 PolarHBondContact O-N 3.17Å; E1036-R1039 IonicContact OE2-CZ 2.63Å; E1036-R1039 IonicContact OE2-NH1 3.56Å; E1036-R1039 PolarHBondContact OE2-NH1 3.02Å; E1036-R1039 IonicContact OE2-NH2 2.62Å; E1036-R1039 PolarHBondContact OE2-NH2 2.97Å; D1037-R1039 VanDerWaalsContact C-N 3.34Å; D1037-R1039 HydrophobicContact CB-CG 4.32Å; D1037-R1039 IonicContact OD2-CZ 2.93Å; D1037-R1039 IonicContact OD2-NE 2.77Å; D1037-R1039 PolarHBondContact OD2-NE 3.1Å; D1037-R1039 IonicContact OD2-NH2 2.7Å; D1037-R1039 PolarHBondContact OD2-NH2 3.06Å; R1039-S1041 PolarHBondContact O-N 2.81Å; R1039-D1042 WeakPolarHBondContact O-CB 3.46Å; R1039-D1042 PolarHBondContact O-N 3.5Å; R1039-L1043 PolarHBondContact O-N 2.82Å
1040S84.6Confident82.1Confident0 Ų037.7 Ų37.70%019%0.189CC..Hα-helixtrans-60.8-25.8176.167.50000115P1034 H1035 G1038 V1044P1034-S1040 WeakPolarHBondContact O-CB 3.13Å; P1034-S1040 PolarHBondContact O-N 2.94Å; P1034-S1040 VanDerWaalsContact O-N 3.15Å; H1035-S1040 PolarHBondContact ND1-OG 3.46Å; G1038-S1040 VanDerWaalsContact C-N 3.34Å; G1038-S1040 PolarHBondContact O-N 3Å; S1040-V1044 PolarHBondContact O-N 3.35Å
1041S90Very high82.4Confident2 Ų233.3 Ų33.31%0.01417%0.17CC..Hα-helixtrans-83.1-35.2175.6-50.50000111.8R860 R893 G1038 R1039 L1043 V1044 M1045R860-S1041 PolarHBondContact N-OG 2.67Å; R860-S1041 WeakPolarHBondContact O-CB 3.2Å; R860-S1041 PolarHBondContact O-OG 3.36Å; R893-S1041 PolarHBondContact NH2-O 3.06Å; G1038-S1041 CarbonylContact O-C 3.54Å; G1038-S1041 WeakPolarHBondContact O-CA 3.29Å; G1038-S1041 VanDerWaalsContact O-CB 3.28Å; G1038-S1041 WeakPolarHBondContact O-CB 3.2Å; G1038-S1041 PolarHBondContact O-N 3.15Å; R1039-S1041 PolarHBondContact O-N 2.81Å; S1041-L1043 VanDerWaalsContact C-N 3.27Å; S1041-L1043 PolarHBondContact O-N 3.13Å; S1041-V1044 PolarHBondContact O-N 3.49Å; S1041-M1045 PolarHBondContact O-N 2.91Å; S1041-M1045 VanDerWaalsContact O-N 3.14Å
1042D88.4Confident82.9Confident12 Ų1234.6 Ų34.66%0.06418%0.177CC..Hα-helixtrans-58.9-41.8167.9-80.83.5000110.7V845 R893 G1038 R1039 V1044 M1045 R1046V845-D1042 HydrophobicContact CG1-CB 4.47Å; V845-D1042 WeakPolarHBondContact CG1-OD2 3.18Å; R893-D1042 IonicContact CZ-OD1 3.94Å; R893-D1042 IonicContact NH1-OD1 2.87Å; R893-D1042 PolarHBondContact NH1-OD1 3.23Å; R893-D1042 IonicContact NH2-OD1 3.36Å; R893-D1042 PolarHBondContact NH2-OD1 2.93Å; G1038-D1042 PolarHBondContact O-N 3.16Å; R1039-D1042 WeakPolarHBondContact O-CB 3.46Å; R1039-D1042 PolarHBondContact O-N 3.5Å; D1042-V1044 VanDerWaalsContact C-N 3.32Å; D1042-V1044 PolarHBondContact O-N 3.41Å; D1042-M1045 WeakPolarHBondContact O-CB 3.11Å; D1042-M1045 PolarHBondContact O-N 2.89Å; D1042-M1045 VanDerWaalsContact O-N 3.15Å; D1042-R1046 VanDerWaalsContact O-CG 3.23Å; D1042-R1046 WeakPolarHBondContact O-CG 3.42Å; D1042-R1046 PolarHBondContact O-N 2.97Å
1043L84.5Confident83.2Confident2 Ų229.6 Ų29.61%0.0116%0.155CC..Hα-helixtrans-63.3-36.7178.4-167.764000112.2F458 Y809 I1028 W1031 V1033 R1039 S1041 V1047F458-L1043 HydrophobicContact CE2-CD1 3.95Å; F458-L1043 HydrophobicContact CZ-CD1 3.95Å; F458-L1043 HydrophobicContact CZ-CD2 4.19Å; F458-L1043 HydrophobicContact CZ-CG 4.33Å; Y809-L1043 HydrophobicContact CD1-CB 4.17Å; Y809-L1043 HydrophobicContact CD1-CD1 4.2Å; Y809-L1043 HydrophobicContact CD1-CD2 4.4Å; Y809-L1043 HydrophobicContact CE1-CB 4.46Å; I1028-L1043 HydrophobicContact CD1-CB 3.97Å; I1028-L1043 HydrophobicContact CD1-CD2 4.02Å; I1028-L1043 HydrophobicContact CD1-CG 3.81Å; I1028-L1043 HydrophobicContact CG1-CD2 4.03Å; I1028-L1043 HydrophobicContact CG1-CG 4.35Å; I1028-L1043 HydrophobicContact CG2-CD2 4.34Å; W1031-L1043 HydrophobicContact CE3-CD2 4.44Å; V1033-L1043 HydrophobicContact CG1-CD2 4.27Å; V1033-L1043 HydrophobicContact CG2-CD2 4Å; R1039-L1043 PolarHBondContact O-N 2.82Å; S1041-L1043 VanDerWaalsContact C-N 3.27Å; S1041-L1043 PolarHBondContact O-N 3.13Å; L1043-V1047 HydrophobicContact CD1-CG2 4.35Å; L1043-V1047 HydrophobicContact CG-CG2 4.47Å; L1043-V1047 WeakPolarHBondContact O-CB 3.29Å; L1043-V1047 VanDerWaalsContact O-CG2 3.26Å; L1043-V1047 WeakPolarHBondContact O-CG2 3.44Å; L1043-V1047 PolarHBondContact O-N 3.35Å
1044V88.2Confident83.5Confident0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-59.8-49.3170.9178.80000110.7L859 P861 C1021 I1024 A1025 I1028 S1040 S1041 D1042 F1048L859-V1044 HydrophobicContact CD1-CG2 4.13Å; L859-V1044 HydrophobicContact CD2-CG2 4.33Å; L859-V1044 HydrophobicContact CG-CG2 4.41Å; P861-V1044 HydrophobicContact CB-CG1 4.4Å; C1021-V1044 HydrophobicContact CB-CG1 4.34Å; I1024-V1044 HydrophobicContact CB-CG1 4.42Å; I1024-V1044 HydrophobicContact CG2-CB 4.24Å; I1024-V1044 HydrophobicContact CG2-CG1 4.05Å; I1024-V1044 HydrophobicContact CG2-CG2 4.25Å; A1025-V1044 HydrophobicContact CB-CG2 4.28Å; I1028-V1044 HydrophobicContact CD1-CB 4.35Å; I1028-V1044 HydrophobicContact CD1-CG2 3.65Å; S1040-V1044 PolarHBondContact O-N 3.35Å; S1041-V1044 PolarHBondContact O-N 3.49Å; D1042-V1044 VanDerWaalsContact C-N 3.32Å; D1042-V1044 PolarHBondContact O-N 3.41Å; V1044-F1048 VanDerWaalsContact O-CB 3.32Å; V1044-F1048 WeakPolarHBondContact O-CB 3.41Å; V1044-F1048 PolarHBondContact O-N 3.28Å
1045M90.4Very high83.3Confident1 Ų130.5 Ų30.51%0.00516%0.159CC..Hα-helixtrans-60.3-47.4179.7171.5172.767.100112.1L801 V845 T863 W865 S1041 D1042 F1048 S1049L801-M1045 HydrophobicContact CD1-CE 4.21Å; L801-M1045 HydrophobicContact CD1-CG 3.79Å; L801-M1045 HydrophobicContact CD1-SD 4.16Å; V845-M1045 HydrophobicContact CG1-CE 4.01Å; V845-M1045 HydrophobicContact CG2-CE 4.18Å; T863-M1045 HydrophobicContact CG2-CE 4.28Å; T863-M1045 HydrophobicContact CG2-SD 3.6Å; T863-M1045 VanDerWaalsContact CG2-SD 3.6Å; W865-M1045 HydrophobicContact CZ2-CE 4.04Å; W865-M1045 HydrophobicContact CZ2-SD 4.35Å; S1041-M1045 PolarHBondContact O-N 2.91Å; S1041-M1045 VanDerWaalsContact O-N 3.14Å; D1042-M1045 WeakPolarHBondContact O-CB 3.11Å; D1042-M1045 PolarHBondContact O-N 2.89Å; D1042-M1045 VanDerWaalsContact O-N 3.15Å; M1045-F1048 PolarHBondContact O-N 2.79Å; M1045-S1049 WeakPolarHBondContact O-CB 3.46Å; M1045-S1049 PolarHBondContact O-N 3.34Å
1046R89Confident82.6Confident2 Ų229.2 Ų29.21%0.00816%0.158CC..Hα-helixtrans-65-45.2-178.2-63.7167.9-171.2-90.81.2112.3M456 L801 D803 Q842 V845 D1042 S1049 L1050M456-R1046 HydrophobicContact SD-CB 3.5Å; M456-R1046 WeakPolarHBondContact SD-CB 3.25Å; L801-R1046 HydrophobicContact CB-CB 4.24Å; L801-R1046 HydrophobicContact CB-CG 3.79Å; L801-R1046 WeakPolarHBondContact O-CG 3.23Å; L801-R1046 PolarHBondContact O-NH1 3.4Å; D803-R1046 PolarHBondContact O-NH1 3.43Å; Q842-R1046 VanDerWaalsContact OE1-CZ 3.23Å; V845-R1046 VanDerWaalsContact CG1-NH2 3.33Å; D1042-R1046 VanDerWaalsContact O-CG 3.23Å; D1042-R1046 WeakPolarHBondContact O-CG 3.42Å; D1042-R1046 PolarHBondContact O-N 2.97Å; R1046-S1049 PolarHBondContact O-N 3.34Å; R1046-S1049 PolarHBondContact O-OG 3.37Å; R1046-L1050 VanDerWaalsContact O-CB 3.31Å; R1046-L1050 WeakPolarHBondContact O-CB 3.37Å; R1046-L1050 PolarHBondContact O-N 3.43Å
1047V85.2Confident82.1Confident0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-64.1-44.9178.3170.10000110.2F453 M456 F458 L483 I1024 L1043 L1051F453-V1047 HydrophobicContact CE1-CG1 4Å; F453-V1047 HydrophobicContact CE1-CG2 4.17Å; F453-V1047 HydrophobicContact CZ-CG1 4.21Å; M456-V1047 HydrophobicContact CE-CG2 3.9Å; M456-V1047 HydrophobicContact SD-CG2 4.25Å; F458-V1047 HydrophobicContact CE2-CG2 4.07Å; F458-V1047 HydrophobicContact CZ-CG2 4.28Å; L483-V1047 HydrophobicContact CD2-CG1 3.83Å; I1024-V1047 HydrophobicContact CD1-CG1 4.03Å; I1024-V1047 HydrophobicContact CG1-CG1 4.1Å; I1024-V1047 HydrophobicContact CG2-CB 4.09Å; I1024-V1047 HydrophobicContact CG2-CG1 3.96Å; L1043-V1047 HydrophobicContact CD1-CG2 4.35Å; L1043-V1047 HydrophobicContact CG-CG2 4.47Å; L1043-V1047 WeakPolarHBondContact O-CB 3.29Å; L1043-V1047 VanDerWaalsContact O-CG2 3.26Å; L1043-V1047 WeakPolarHBondContact O-CG2 3.44Å; L1043-V1047 PolarHBondContact O-N 3.35Å; V1047-L1051 HydrophobicContact CG1-CD1 3.75Å; V1047-L1051 HydrophobicContact CG1-CG 4.48Å; V1047-L1051 WeakPolarHBondContact O-CB 3.46Å; V1047-L1051 WeakPolarHBondContact O-CD1 3.31Å; V1047-L1051 WeakPolarHBondContact O-CG 3.15Å; V1047-L1051 PolarHBondContact O-N 3.22Å
1048F86.8Confident81.8Confident11 Ų1127.3 Ų27.35%0.04815%0.153CC..Hα-helixtrans-64.7-43.4177.5-176.9-100.3000112.8N991 I993 L1016 S1019 C1021 I1024 V1044 M1045 L1050 L1051 K1052N991-F1048 HydrophobicContact CB-CD1 3.52Å; N991-F1048 HydrophobicContact CB-CE1 4.07Å; N991-F1048 HydrophobicContact CB-CG 4.31Å; I993-F1048 HydrophobicContact CD1-CE1 3.56Å; I993-F1048 HydrophobicContact CD1-CZ 3.99Å; I993-F1048 HydrophobicContact CG1-CE1 3.99Å; L1016-F1048 HydrophobicContact CD2-CD1 4.01Å; L1016-F1048 HydrophobicContact CD2-CE1 3.25Å; L1016-F1048 HydrophobicContact CD2-CE2 4.25Å; L1016-F1048 HydrophobicContact CD2-CZ 3.4Å; L1016-F1048 VanDerWaalsContact CD2-CZ 3.4Å; S1019-F1048 WeakPolarHBondContact O-CE2 3.24Å; C1021-F1048 WeakPolarHBondContact SG-CD2 3.47Å; C1021-F1048 VanDerWaalsContact SG-CG 3.53Å; I1024-F1048 HydrophobicContact CD1-CB 3.82Å; I1024-F1048 HydrophobicContact CD1-CD2 4.07Å; I1024-F1048 HydrophobicContact CD1-CG 4.45Å; V1044-F1048 VanDerWaalsContact O-CB 3.32Å; V1044-F1048 WeakPolarHBondContact O-CB 3.41Å; V1044-F1048 PolarHBondContact O-N 3.28Å; M1045-F1048 PolarHBondContact O-N 2.79Å; F1048-L1050 PolarHBondContact O-N 2.77Å; F1048-L1051 PolarHBondContact O-N 2.79Å; F1048-K1052 PolarHBondContact O-N 3.45Å
1049S87.8Confident81.4Confident0 Ų032.7 Ų32.70%017%0.171CC..Hα-helixtrans-66.4-37.9-179.888.20000112.2A798 L799 N991 M1045 R1046 A1053A798-S1049 WeakPolarHBondContact CB-O 3.34Å; L799-S1049 VanDerWaalsContact O-CB 3.26Å; L799-S1049 WeakPolarHBondContact O-CB 3.2Å; L799-S1049 PolarHBondContact O-OG 2.83Å; N991-S1049 WeakPolarHBondContact O-CB 3.32Å; M1045-S1049 WeakPolarHBondContact O-CB 3.46Å; M1045-S1049 PolarHBondContact O-N 3.34Å; R1046-S1049 PolarHBondContact O-N 3.34Å; R1046-S1049 PolarHBondContact O-OG 3.37Å; S1049-A1053 WeakPolarHBondContact O-CB 3.31Å; S1049-A1053 PolarHBondContact O-N 3.35Å
1050L84.1Confident81.2Confident1 Ų129.6 Ų29.61%0.00516%0.16CC..Hα-helixtrans-64.7-45.2174.117964.6000112G452 F453 M456 T802 R1046 F1048 A1053 Y1054G452-L1050 VanDerWaalsContact C-CD2 3.43Å; F453-L1050 HydrophobicContact CD1-CD2 4.47Å; F453-L1050 HydrophobicContact CD2-CD2 3.87Å; F453-L1050 HydrophobicContact CE2-CD2 4.01Å; F453-L1050 HydrophobicContact CG-CD2 4.1Å; F453-L1050 HydrophobicContact CZ-CD2 4.38Å; M456-L1050 HydrophobicContact CE-CD2 3.55Å; T802-L1050 HydrophobicContact CG2-CD1 3.89Å; T802-L1050 HydrophobicContact CG2-CD2 4.34Å; R1046-L1050 VanDerWaalsContact O-CB 3.31Å; R1046-L1050 WeakPolarHBondContact O-CB 3.37Å; R1046-L1050 PolarHBondContact O-N 3.43Å; F1048-L1050 PolarHBondContact O-N 2.77Å; L1050-A1053 PolarHBondContact O-N 2.98Å; L1050-Y1054 HydrophobicContact CD1-CD2 3.69Å; L1050-Y1054 HydrophobicContact CD1-CE2 4.04Å; L1050-Y1054 PolarHBondContact O-N 2.96Å; L1050-Y1054 VanDerWaalsContact O-N 3.14Å
1051L82.5Confident80.8Confident13 Ų1331.7 Ų31.77%0.06817%0.169CC..Hα-helixtrans-62.6-48.1177.7-71.6166.9000110.9L449 F453 L484 I487 I1024 V1047 F1048 A1053 Y1054 A1055L449-L1051 HydrophobicContact CD1-CD2 4.16Å; F453-L1051 HydrophobicContact CE2-CD2 4.1Å; F453-L1051 HydrophobicContact CZ-CD2 3.96Å; F453-L1051 HydrophobicContact CZ-CG 4.17Å; L484-L1051 HydrophobicContact CD2-CD2 3.6Å; I487-L1051 HydrophobicContact CD1-CD1 3.42Å; I487-L1051 VanDerWaalsContact CD1-CD1 3.42Å; I487-L1051 HydrophobicContact CG2-CD1 4.4Å; I1024-L1051 HydrophobicContact CD1-CD1 4.18Å; V1047-L1051 HydrophobicContact CG1-CD1 3.75Å; V1047-L1051 HydrophobicContact CG1-CG 4.48Å; V1047-L1051 WeakPolarHBondContact O-CB 3.46Å; V1047-L1051 WeakPolarHBondContact O-CD1 3.31Å; V1047-L1051 WeakPolarHBondContact O-CG 3.15Å; V1047-L1051 PolarHBondContact O-N 3.22Å; F1048-L1051 PolarHBondContact O-N 2.79Å; L1051-A1053 PolarHBondContact O-N 2.83Å; L1051-Y1054 PolarHBondContact O-N 3.13Å; L1051-A1055 HydrophobicContact CD2-CB 4.31Å; L1051-A1055 WeakPolarHBondContact O-CB 3.45Å; L1051-A1055 PolarHBondContact O-N 3.42Å
1052K81Confident80Confident79 Ų7933.6 Ų33.634%0.34318%0.176SC..Hα-helixtrans-67.7-18.8178.2-170.155.2177.7171.70113.4A798 I993 F1048A798-K1052 HydrophobicContact CB-CB 4.28Å; A798-K1052 HydrophobicContact CB-CG 4.5Å; I993-K1052 HydrophobicContact CD1-CG 3.9Å; I993-K1052 HydrophobicContact CG1-CG 4.07Å; F1048-K1052 PolarHBondContact O-N 3.45Å
1053A80.6Confident79.3Confident34 Ų3433.5 Ų33.528%0.28118%0.176SC..Hα-helixtrans-79.4-39.617400000114A798 I800 S1049 L1050 L1051A798-A1053 HydrophobicContact CB-CB 4.11Å; I800-A1053 HydrophobicContact CD1-CB 3.53Å; S1049-A1053 WeakPolarHBondContact O-CB 3.31Å; S1049-A1053 PolarHBondContact O-N 3.35Å; L1050-A1053 PolarHBondContact O-N 2.98Å; L1051-A1053 PolarHBondContact O-N 2.83Å
1054Y80.4Confident78.5Confident44 Ų4438 Ų3817%0.17320%0.204CC..Hα-helixtrans-134.4-9.8-165.6-58.3-42.4000116.8R448 I800 L1050 L1051R448-Y1054 HydrophobicContact CB-CD1 4.32Å; R448-Y1054 HydrophobicContact CB-CD2 3.61Å; R448-Y1054 HydrophobicContact CB-CE1 4.36Å; R448-Y1054 HydrophobicContact CB-CE2 3.62Å; R448-Y1054 HydrophobicContact CB-CG 3.99Å; R448-Y1054 HydrophobicContact CG-CE2 4.43Å; R448-Y1054 PolarHBondContact NH1-OH 2.92Å; I800-Y1054 HydrophobicContact CD1-CD2 4.43Å; I800-Y1054 HydrophobicContact CD1-CE1 4.4Å; I800-Y1054 HydrophobicContact CD1-CE2 3.53Å; I800-Y1054 WeakPolarHBondContact CD1-OH 3Å; I800-Y1054 HydrophobicContact CG1-CE2 4.39Å; L1050-Y1054 HydrophobicContact CD1-CD2 3.69Å; L1050-Y1054 HydrophobicContact CD1-CE2 4.04Å; L1050-Y1054 PolarHBondContact O-N 2.96Å; L1050-Y1054 VanDerWaalsContact O-N 3.14Å; L1051-Y1054 PolarHBondContact O-N 3.13Å
1055A71.5Confident77.1Confident41 Ų4139 Ų3934%0.33921%0.211SC..  trans-66.5139.6178.800000111.4L449 L1051L449-A1055 HydrophobicContact CD1-CB 3.89Å; L1051-A1055 HydrophobicContact CD2-CB 4.31Å; L1051-A1055 WeakPolarHBondContact O-CB 3.45Å; L1051-A1055 PolarHBondContact O-N 3.42Å
1056S68.4Low75.5Confident38 Ų3845.7 Ų45.727%0.26625%0.246SC..  trans-77.7137.8169-176.40000110.5T1058S1056-T1058 WeakPolarHBondContact CB-OG1 3.16Å; S1056-T1058 PolarHBondContact O-N 3.1Å; S1056-T1058 PolarHBondContact OG-N 2.71Å; S1056-T1058 PolarHBondContact OG-OG1 2.77Å
1057D65.7Low73.9Confident151 Ų15149.8 Ų49.881%0.80727%0.266SS*.SBendtrans-68-9.7175.6-49.5-77.2000113.1K1059D1057-K1059 PolarHBondContact O-N 2.73Å
1058T68.8Low72.5Confident54 Ų5453.8 Ų53.833%0.33128%0.284SS..SBendtrans-63117.1173.252.60000111.5M427 S1056 R1060M427-T1058 PolarHBondContact SD-OG1 2.89Å; M427-T1058 VanDerWaalsContact SD-OG1 3.42Å; S1056-T1058 WeakPolarHBondContact CB-OG1 3.16Å; S1056-T1058 PolarHBondContact O-N 3.1Å; S1056-T1058 PolarHBondContact OG-N 2.71Å; S1056-T1058 PolarHBondContact OG-OG1 2.77Å; T1058-R1060 PolarHBondContact O-N 3.33Å
1059K70.6Confident71Confident131 Ų13160.1 Ų60.157%0.5732%0.319SS*.  trans-45.4133.5172.3-174.7-173.9-179.9-171.40111.4D1057D1057-K1059 PolarHBondContact O-N 2.73Å
1060R77.1Confident70Confident5 Ų563.6 Ų63.62%0.01934%0.338CS..BIsolated β-bridgetrans-97.9146.4176.5-60.3178.3-177.3-119.94.6111N425 G426 M427 E446 Y485 S488 T1058N425-R1060 VanDerWaalsContact CB-NH1 3.33Å; N425-R1060 PolarHBondContact O-NH1 3.34Å; G426-R1060 CarbonylContact O-C 3.52Å; G426-R1060 WeakPolarHBondContact O-CA 3.02Å; M427-R1060 HydrophobicContact CG-CG 3.84Å; E446-R1060 VanDerWaalsContact CD-NH2 3.34Å; E446-R1060 IonicContact OE1-CZ 3.63Å; E446-R1060 IonicContact OE1-NH1 2.71Å; E446-R1060 PolarHBondContact OE1-NH1 3.42Å; E446-R1060 IonicContact OE1-NH2 3.57Å; E446-R1060 PolarHBondContact OE1-NH2 3.15Å; E446-R1060 VanDerWaalsContact OE1-NH2 3.08Å; E446-R1060 IonicContact OE2-CZ 3.72Å; E446-R1060 IonicContact OE2-NH1 3.75Å; E446-R1060 IonicContact OE2-NH2 2.75Å; E446-R1060 PolarHBondContact OE2-NH2 3.33Å; Y485-R1060 VanDerWaalsContact CD2-O 3.28Å; Y485-R1060 WeakPolarHBondContact CD2-O 3.5Å; Y485-R1060 WeakPolarHBondContact CE2-O 3.13Å; S488-R1060 WeakPolarHBondContact OG-CB 3.29Å; S488-R1060 PolarHBondContact OG-N 3.26Å; T1058-R1060 PolarHBondContact O-N 3.33Å
1061Q75.9Confident69.5Low44 Ų4464.2 Ų64.221%0.20634%0.342CS..  trans-141.1118.2177.1-78.2-179.5-62.100107.9F413 F423 G426F413-Q1061 HydrophobicContact CD1-CB 3.99Å; F413-Q1061 HydrophobicContact CD1-CG 4.4Å; F413-Q1061 HydrophobicContact CE1-CB 3.92Å; F413-Q1061 HydrophobicContact CE1-CG 4.45Å; F423-Q1061 HydrophobicContact CE1-CB 4.35Å; G426-Q1061 CarbonylContact C-O 3.59Å; G426-Q1061 VanDerWaalsContact CA-O 3.26Å; G426-Q1061 WeakPolarHBondContact CA-O 3.5Å; G426-Q1061 PolarHBondContact O-N 2.96Å; G426-Q1061 VanDerWaalsContact O-O 3.07Å
1062W73.8Confident69.4Low42 Ų4263.8 Ų63.816%0.15934%0.34CS..  trans-95.6109177.9-62.5103.4000110N425 Q481 L484 Y485 T1064 E1086N425-W1062 VanDerWaalsContact C-CZ3 3.46Å; N425-W1062 VanDerWaalsContact CA-CH2 3.42Å; N425-W1062 HydrophobicContact CB-CH2 4Å; N425-W1062 WeakPolarHBondContact O-CH2 3Å; N425-W1062 WeakPolarHBondContact O-CZ2 3.45Å; Q481-W1062 HydrophobicContact CB-CD2 4.18Å; Q481-W1062 HydrophobicContact CB-CH2 4.45Å; Q481-W1062 HydrophobicContact CB-CZ2 3.92Å; Q481-W1062 HydrophobicContact CG-CD2 4.21Å; Q481-W1062 HydrophobicContact CG-CE3 4.24Å; Q481-W1062 HydrophobicContact CG-CH2 3.87Å; Q481-W1062 HydrophobicContact CG-CZ2 3.86Å; Q481-W1062 HydrophobicContact CG-CZ3 4.08Å; Q481-W1062 PolarHBondContact O-NE1 2.8Å; L484-W1062 HydrophobicContact CD1-CZ2 4.49Å; Y485-W1062 AromaticContact CD2-CD1 3.93Å; Y485-W1062 AromaticContact CG-CD1 4Å; W1062-T1064 PolarHBondContact O-N 2.78Å; W1062-E1086 HydrophobicContact CZ3-CB 4.24Å; W1062-E1086 HydrophobicContact CZ3-CG 4.06Å; W1062-E1086 WeakPolarHBondContact CZ3-OE2 3.28Å
1063V72.4Confident69.6Low10 Ų1060.9 Ų60.96%0.06133%0.329CS..  trans-70.9117.2168.5-1780000107.8F410 F413 F423 P1065 V1088 I1090F410-V1063 HydrophobicContact CD1-CG1 4.06Å; F410-V1063 HydrophobicContact CE1-CG1 3.72Å; F413-V1063 HydrophobicContact CD1-CG2 4.18Å; F413-V1063 HydrophobicContact CD2-CG2 4.03Å; F413-V1063 HydrophobicContact CE1-CG2 4.16Å; F413-V1063 HydrophobicContact CE2-CB 4.42Å; F413-V1063 HydrophobicContact CE2-CG1 4.37Å; F413-V1063 HydrophobicContact CE2-CG2 4Å; F413-V1063 HydrophobicContact CG-CG2 4.13Å; F413-V1063 HydrophobicContact CZ-CB 4.48Å; F413-V1063 HydrophobicContact CZ-CG2 4.07Å; F423-V1063 HydrophobicContact CD2-CG2 4.06Å; F423-V1063 HydrophobicContact CE1-CG2 4.25Å; F423-V1063 HydrophobicContact CE2-CG2 3.76Å; F423-V1063 HydrophobicContact CG-CG2 4.46Å; F423-V1063 HydrophobicContact CZ-CG2 3.86Å; V1063-P1065 WeakPolarHBondContact O-CD 3.49Å; V1063-V1088 HydrophobicContact CB-CG1 4.25Å; V1063-I1090 HydrophobicContact CG1-CD1 4.19Å; V1063-I1090 HydrophobicContact CG2-CD1 4.25Å
1064T67.7Low69.8Low98 Ų9860 Ų6060%0.60132%0.319SS*.  trans-103.1108.4174-34.80000108.3W1062 L1066W1062-T1064 PolarHBondContact O-N 2.78Å; T1064-L1066 PolarHBondContact O-N 2.89Å
1065P59.8Low70.1Confident21 Ų2159.4 Ų59.414%0.13632%0.319CS..  trans-64.1121.7179-20.131.9000110.4V1063 M1067 T1117V1063-P1065 WeakPolarHBondContact O-CD 3.49Å; P1065-M1067 PolarHBondContact O-N 3.12Å; P1065-T1117 HydrophobicContact CG-CG2 4.04Å
1066L55.8Low70.6Confident141 Ų14159.4 Ų59.474%0.73831%0.313SS*.SBendtrans-63.1-27.3-176.9-74.1169.7000113.1A409 T1064A409-L1066 HydrophobicContact CB-CD1 3.88Å; T1064-L1066 PolarHBondContact O-N 2.89Å
1067M55.8Low71.1Confident88 Ų8858.2 Ų58.243%0.43331%0.305SS..  trans-139.9104.4178.4-59.1-170.372.700110P1065 N1069P1065-M1067 PolarHBondContact O-N 3.12Å; M1067-N1069 VanDerWaalsContact C-N 3.31Å; M1067-N1069 PolarHBondContact O-N 3.17Å
1068Q55.5Low71.7Confident83 Ų8360.5 Ų60.539%0.38831%0.307SS..THydrogen-bonded Turntrans-74.7-9.3-169.7-73-177.5-24.900115.7
1069N56Low72.1Confident144 Ų14459.7 Ų59.777%0.7730%0.301SS*.THydrogen-bonded Turntrans-109.8-23.8-169.9-63.9-2.6000114.6M1067M1067-N1069 VanDerWaalsContact C-N 3.31Å; M1067-N1069 PolarHBondContact O-N 3.17Å
1070D66.7Low72.2Confident74 Ų7456.8 Ų56.840%0.39629%0.29SS..THydrogen-bonded Turntrans-100.3-19.5-166-62.85000113.3Y402Y402-D1070 HydrophobicContact CE1-CB 4.01Å; Y402-D1070 PolarHBondContact OH-OD2 3.43Å
1071S74.4Confident71.9Confident13 Ų1362.7 Ų62.79%0.09132%0.319CS..SBendtrans-142.3-3.5-172.658.90000114.7C1119 M1120S1071-C1119 WeakPolarHBondContact O-CA 3.41Å; S1071-M1120 PolarHBondContact O-N 3.13Å
1072C80.2Confident71.8Confident4 Ų461.3 Ų61.33%0.02732%0.315CS..EExtended strand (participates in β ladder)trans-133.7155178.8-51.50000111.1T1117 L1118 C1119C1072-T1117 HydrophobicContact CB-CG2 4.25Å; C1072-L1118 CarbonylContact C-O 3.53Å; C1072-L1118 WeakPolarHBondContact CA-O 3.36Å; C1072-C1119 HydrophobicContact CB-CB 4.07Å; C1072-C1119 WeakPolarHBondContact CB-SG 3.27Å; C1072-C1119 WeakPolarHBondContact SG-CB 3.49Å; C1072-C1119 CovalentContact SG-SG 2.04Å; C1072-C1119 PolarHBondContact SG-SG 2.89Å
1073V84.5Confident72Confident18 Ų1859.8 Ų59.811%0.10931%0.311CS..EExtended strand (participates in β ladder)trans-125.1125.7171.2175.50000109.9L351 V358 I1075 L1118L351-V1073 HydrophobicContact CD2-CG2 3.77Å; V358-V1073 HydrophobicContact CG1-CG1 4.36Å; V358-V1073 HydrophobicContact CG2-CG1 4.08Å; V1073-I1075 HydrophobicContact CG1-CG1 4.43Å; V1073-L1118 PolarHBondContact N-O 2.94Å; V1073-L1118 PolarHBondContact O-N 3.21Å
1074D84.7Confident72.5Confident15 Ų1559.8 Ų59.88%0.0831%0.311CS..EExtended strand (participates in β ladder)trans-90.4115.3171.6-70.5-28.1000110.9K355 R463 T1117K355-D1074 PolarHBondContact NZ-O 3.39Å; R463-D1074 IonicContact CZ-OD2 2.79Å; R463-D1074 IonicContact NH1-OD2 3.7Å; R463-D1074 PolarHBondContact NH1-OD2 3.42Å; R463-D1074 IonicContact NH2-OD2 2.67Å; R463-D1074 PolarHBondContact NH2-OD2 2.85Å; D1074-T1117 VanDerWaalsContact OD1-CB 3.32Å; D1074-T1117 WeakPolarHBondContact OD1-CB 3.28Å; D1074-T1117 WeakPolarHBondContact OD1-CG2 3.38Å; D1074-T1117 PolarHBondContact OD1-OG1 3.33Å
1075I86Confident73.4Confident33 Ų3355.2 Ų55.217%0.16928%0.283CS..EExtended strand (participates in β ladder)trans-98.1127.6168.1-53176.4000107.2V358 L359 V1073 I1116V358-I1075 HydrophobicContact CB-CD1 4.16Å; V358-I1075 HydrophobicContact CG1-CD1 4.04Å; L359-I1075 HydrophobicContact CD1-CD1 4.03Å; L359-I1075 HydrophobicContact CD2-CD1 3.94Å; L359-I1075 HydrophobicContact CG-CD1 3.59Å; V1073-I1075 HydrophobicContact CG1-CG1 4.43Å; I1075-I1116 HydrophobicContact CB-CB 4.36Å; I1075-I1116 PolarHBondContact N-O 2.95Å; I1075-I1116 PolarHBondContact O-N 2.91Å
1076L82Confident74.6Confident41 Ų4156 Ų5622%0.21529%0.285CS..  trans-104.2149.4-169.9-63.5175.9000113.2Q464Q464-L1076 HydrophobicContact CG-CD1 3.75Å
1077S79.4Confident76.2Confident13 Ų1349.3 Ų49.39%0.09125%0.25CC..  trans-56.8142.7177.845.90000113.2N1113 A1114 D1115S1077-N1113 WeakPolarHBondContact CB-OD1 3.43Å; S1077-A1114 VanDerWaalsContact CA-O 3.31Å; S1077-A1114 WeakPolarHBondContact CA-O 3.37Å; S1077-A1114 PolarHBondContact N-O 2.9Å; S1077-D1115 WeakPolarHBondContact CB-OD1 3.36Å; S1077-D1115 PolarHBondContact N-OD1 3.35Å; S1077-D1115 PolarHBondContact OG-OD1 2.94Å
1078K79.6Confident77.9Confident198 Ų19845.4 Ų45.486%0.86123%0.231SC*.SBendtrans-90-17.7-172.7-58.6-171.5-179-174.10113.7N1113K1078-N1113 PolarHBondContact N-OD1 3.1Å; K1078-N1113 VanDerWaalsContact N-OD1 3.16Å
1079D76.6Confident79.6Confident37 Ų3741.4 Ų41.420%0.19821%0.212CC..  trans-129.288.2-175-165.8-26.3000112.2K122 M1081 S1082 N1113K122-D1079 IonicContact NZ-OD2 3.12Å; K122-D1079 PolarHBondContact NZ-OD2 3.32Å; D1079-M1081 PolarHBondContact O-N 3.1Å; D1079-M1081 PolarHBondContact OD1-N 2.95Å; D1079-M1081 VanDerWaalsContact OD1-N 3.1Å; D1079-S1082 PolarHBondContact O-N 3.48Å; D1079-S1082 VanDerWaalsContact O-N 3.17Å; D1079-S1082 PolarHBondContact O-OG 3.41Å; D1079-N1113 PolarHBondContact N-OD1 3.33Å; D1079-N1113 PolarHBondContact O-ND2 3.07Å
1080M71.4Confident81.3Confident70 Ų7034.6 Ų34.635%0.34518%0.176SC..THydrogen-bonded Turntrans-64.7-3.4178.3-66.4-169.1-171.100115N461 Q464N461-M1080 PolarHBondContact ND2-O 3.46Å; Q464-M1080 HydrophobicContact CB-CE 4.47Å
1081M71.7Confident82.5Confident129 Ų12931 Ų3164%0.63516%0.157SC*.THydrogen-bonded Turntrans-107.911.4178.5-68.8-62.7-61.800112.3F454 D1079F454-M1081 VanDerWaalsContact CZ-C 3.45Å; F454-M1081 VanDerWaalsContact CZ-O 3.3Å; F454-M1081 WeakPolarHBondContact CZ-O 3.36Å; D1079-M1081 PolarHBondContact O-N 3.1Å; D1079-M1081 PolarHBondContact OD1-N 2.95Å; D1079-M1081 VanDerWaalsContact OD1-N 3.1Å
1082S74.5Confident83.3Confident15 Ų1530.7 Ų30.711%0.10515%0.154CC..SBendtrans-126.3167.4175.172.60000111.1F454 D1079 T1084 N1113F454-S1082 WeakPolarHBondContact CE2-O 3.31Å; D1079-S1082 PolarHBondContact O-N 3.48Å; D1079-S1082 VanDerWaalsContact O-N 3.17Å; D1079-S1082 PolarHBondContact O-OG 3.41Å; S1082-T1084 PolarHBondContact O-N 3.32Å; S1082-N1113 PolarHBondContact OG-ND2 3.29Å; S1082-N1113 VanDerWaalsContact OG-ND2 3.12Å
1083A77.3Confident83.8Confident10 Ų1030.5 Ų30.58%0.08315%0.152CC..  trans-64.2132.6173.100000111.3L450 A451 F454 N1113L450-A1083 HydrophobicContact CB-CB 3.92Å; A451-A1083 HydrophobicContact CB-CB 4.41Å; F454-A1083 HydrophobicContact CB-CB 4.15Å; A1083-N1113 PolarHBondContact O-ND2 3.29Å
1084T82.2Confident84.1Confident10 Ų1029.9 Ų29.96%0.06115%0.149CC..  trans-104.7128.1-178.7-60.20000110.8L450 V460 S1082 N1113 D1115L450-T1084 WeakPolarHBondContact CD1-O 3.22Å; V460-T1084 HydrophobicContact CG1-CG2 4.47Å; S1082-T1084 PolarHBondContact O-N 3.32Å; T1084-N1113 WeakPolarHBondContact CA-O 3.45Å; T1084-N1113 PolarHBondContact OG1-ND2 3.04Å; T1084-D1115 HydrophobicContact CG2-CB 4.29Å
1085F87.1Confident84.4Confident2 Ų230 Ų301%0.00915%0.15CC..EExtended strand (participates in β ladder)trans-80.4155.2166.7-78.5-105.1000111.3I424 L443 E446 E447 L450 I1112 N1113 A1114 D1115I424-F1085 HydrophobicContact CG2-CD1 4.03Å; L443-F1085 HydrophobicContact CD2-CD1 4.29Å; L443-F1085 HydrophobicContact CD2-CE1 3.73Å; L443-F1085 HydrophobicContact CD2-CZ 4.31Å; E446-F1085 HydrophobicContact CB-CE1 3.88Å; E446-F1085 HydrophobicContact CB-CZ 4.32Å; E446-F1085 HydrophobicContact CG-CD1 4.37Å; E446-F1085 HydrophobicContact CG-CE1 3.73Å; E446-F1085 HydrophobicContact CG-CZ 4.46Å; E447-F1085 HydrophobicContact CB-CE2 3.97Å; E447-F1085 HydrophobicContact CB-CZ 3.81Å; E447-F1085 HydrophobicContact CG-CE2 4.33Å; L450-F1085 HydrophobicContact CD1-CB 4.24Å; L450-F1085 HydrophobicContact CD1-CD1 3.78Å; L450-F1085 HydrophobicContact CD1-CD2 3.62Å; L450-F1085 HydrophobicContact CD1-CE1 4.06Å; L450-F1085 HydrophobicContact CD1-CE2 3.9Å; L450-F1085 HydrophobicContact CD1-CG 3.57Å; L450-F1085 HydrophobicContact CD1-CZ 4.12Å; F1085-I1112 HydrophobicContact CB-CD1 3.96Å; F1085-I1112 HydrophobicContact CD1-CD1 3.85Å; F1085-I1112 HydrophobicContact CD2-CB 4.18Å; F1085-I1112 HydrophobicContact CD2-CD1 3.76Å; F1085-I1112 HydrophobicContact CD2-CG1 4.33Å; F1085-I1112 HydrophobicContact CE1-CD1 4.18Å; F1085-I1112 HydrophobicContact CE2-CB 4.25Å; F1085-I1112 HydrophobicContact CE2-CD1 4.1Å; F1085-I1112 HydrophobicContact CE2-CG2 4.35Å; F1085-I1112 HydrophobicContact CG-CD1 3.61Å; F1085-I1112 HydrophobicContact CZ-CD1 4.28Å; F1085-N1113 PolarHBondContact N-O 2.77Å; F1085-A1114 HydrophobicContact CB-CB 3.9Å; F1085-A1114 CarbonylContact O-C 3.58Å; F1085-A1114 VanDerWaalsContact O-CA 3.26Å; F1085-A1114 WeakPolarHBondContact O-CA 3.41Å; F1085-D1115 PolarHBondContact O-N 3.26Å
1086E85.5Confident84.4Confident38 Ų3830.8 Ų30.818%0.17816%0.162CC..EExtended strand (participates in β ladder)trans-120.5120.2175.3-176.6170.7173.700109.3N425 Q481 W1062N425-E1086 PolarHBondContact N-O 3.12Å; N425-E1086 PolarHBondContact OD1-N 3.09Å; N425-E1086 PolarHBondContact OD1-O 2.89Å; Q481-E1086 PolarHBondContact NE2-OE1 2.71Å; Q481-E1086 PolarHBondContact NE2-OE2 3.2Å; W1062-E1086 HydrophobicContact CZ3-CB 4.24Å; W1062-E1086 HydrophobicContact CZ3-CG 4.06Å; W1062-E1086 WeakPolarHBondContact CZ3-OE2 3.28Å
1087I90Very high84.8Confident0 Ų031.1 Ų31.10%017%0.168CC..EExtended strand (participates in β ladder)trans-120.5119.4-178.9-53.8179.9000108.5I422 F423 I424 L1105 I1108 A1114 D1115 I1116 T1117I422-I1087 HydrophobicContact CD1-CG2 3.94Å; I422-I1087 HydrophobicContact CG1-CG2 4.02Å; F423-I1087 WeakPolarHBondContact O-CA 3.12Å; I424-I1087 HydrophobicContact CG1-CG1 4.38Å; I424-I1087 HydrophobicContact CG1-CG2 4.47Å; I1087-L1105 HydrophobicContact CG2-CD2 3.66Å; I1087-I1108 HydrophobicContact CD1-CG2 3.59Å; I1087-A1114 HydrophobicContact CD1-CB 3.98Å; I1087-A1114 HydrophobicContact CG1-CB 4.3Å; I1087-D1115 PolarHBondContact N-O 3.42Å; I1087-I1116 HydrophobicContact CB-CG1 4.25Å; I1087-I1116 HydrophobicContact CB-CG2 4.4Å; I1087-I1116 HydrophobicContact CD1-CG1 4.32Å; I1087-I1116 HydrophobicContact CG2-CG2 4.48Å; I1087-I1116 CarbonylContact O-C 3.6Å; I1087-I1116 WeakPolarHBondContact O-CA 3.47Å; I1087-T1117 PolarHBondContact O-N 3.04Å
1088V89.8Confident85.3Confident6 Ų630.5 Ų30.54%0.03616%0.163CC..EExtended strand (participates in β ladder)trans-108.8116.8171.4-173.90000108.1F423 V1063 T1117F423-V1088 HydrophobicContact CB-CB 4.43Å; F423-V1088 PolarHBondContact N-O 3.1Å; F423-V1088 PolarHBondContact O-N 3.28Å; V1063-V1088 HydrophobicContact CB-CG1 4.25Å; V1088-T1117 WeakPolarHBondContact CA-O 3.49Å
1089A92.3Very high85.8Confident0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-114.8116.3178.600000109.9I1101 L1105 T1117 L1118 C1119A1089-I1101 HydrophobicContact CB-CG2 4.43Å; A1089-L1105 HydrophobicContact CB-CD1 3.72Å; A1089-L1105 HydrophobicContact CB-CD2 4.18Å; A1089-T1117 PolarHBondContact N-O 2.89Å; A1089-L1118 HydrophobicContact CB-CD1 3.99Å; A1089-L1118 CarbonylContact O-C 3.53Å; A1089-L1118 WeakPolarHBondContact O-CA 3.22Å; A1089-C1119 PolarHBondContact O-N 3.19Å
1090I91.3Very high86.4Confident0 Ų021.3 Ų21.30%012%0.123CC..EExtended strand (participates in β ladder)trans-98.6122.3172.7-57.3170.5000106.5F410 I415 S420 A421 F423 V1063 C1119 N1121F410-I1090 HydrophobicContact CD1-CD1 3.85Å; F410-I1090 HydrophobicContact CD2-CD1 4.38Å; F410-I1090 HydrophobicContact CD2-CG2 4.03Å; F410-I1090 HydrophobicContact CE1-CD1 3.84Å; F410-I1090 HydrophobicContact CE1-CG1 4.35Å; F410-I1090 HydrophobicContact CE2-CD1 4.36Å; F410-I1090 HydrophobicContact CE2-CG1 4.46Å; F410-I1090 HydrophobicContact CE2-CG2 3.8Å; F410-I1090 HydrophobicContact CG-CD1 4.14Å; F410-I1090 HydrophobicContact CZ-CD1 4.1Å; F410-I1090 HydrophobicContact CZ-CG1 4.18Å; F410-I1090 HydrophobicContact CZ-CG2 4.34Å; I415-I1090 HydrophobicContact CD1-CD1 3.73Å; I415-I1090 HydrophobicContact CG2-CG2 4.43Å; S420-I1090 CarbonylContact C-O 3.55Å; S420-I1090 WeakPolarHBondContact CA-O 3.5Å; A421-I1090 PolarHBondContact N-O 3.5Å; A421-I1090 PolarHBondContact O-N 2.99Å; F423-I1090 HydrophobicContact CE2-CD1 4.19Å; V1063-I1090 HydrophobicContact CG1-CD1 4.19Å; V1063-I1090 HydrophobicContact CG2-CD1 4.25Å; I1090-C1119 WeakPolarHBondContact CA-O 3.23Å; I1090-N1121 HydrophobicContact CG2-CB 3.55Å
1091V91.7Very high87.4Confident0 Ų018.1 Ų18.10%011%0.107CC..EExtended strand (participates in β ladder)trans-143.6140.5-178-72.60000112.4L362 A1098 I1101 L1118 C1119 M1120 N1121L362-V1091 HydrophobicContact CD1-CG2 4.26Å; V1091-A1098 HydrophobicContact CB-CB 4.25Å; V1091-A1098 HydrophobicContact CG1-CB 4.25Å; V1091-I1101 HydrophobicContact CG1-CB 4.26Å; V1091-I1101 HydrophobicContact CG1-CD1 3.81Å; V1091-I1101 HydrophobicContact CG1-CG2 3.85Å; V1091-L1118 HydrophobicContact CG2-CD1 3.7Å; V1091-C1119 PolarHBondContact N-O 3.15Å; V1091-M1120 HydrophobicContact CG2-CE 3.71Å; V1091-M1120 CarbonylContact O-C 3.52Å; V1091-M1120 WeakPolarHBondContact O-CA 3.18Å; V1091-N1121 PolarHBondContact O-N 3.32Å
1092D90.8Very high88.4Confident5 Ų512 Ų123%0.0278%0.077CC..  trans-83.8120.7148-176.1-25.9000107.1S343 S420 L1094 S1095 A1098 K1123S343-D1092 WeakPolarHBondContact CB-OD1 3.19Å; S343-D1092 WeakPolarHBondContact CB-OD2 3.46Å; S343-D1092 PolarHBondContact OG-OD1 2.88Å; S343-D1092 VanDerWaalsContact OG-OD1 3.12Å; S343-D1092 PolarHBondContact OG-OD2 3.21Å; S420-D1092 PolarHBondContact OG-N 2.88Å; D1092-L1094 PolarHBondContact O-N 2.63Å; D1092-L1094 PolarHBondContact OD1-N 3.48Å; D1092-S1095 WeakPolarHBondContact O-CB 3.26Å; D1092-S1095 PolarHBondContact O-N 2.87Å; D1092-S1095 PolarHBondContact O-OG 3.09Å; D1092-A1098 WeakPolarHBondContact O-CB 3.13Å; D1092-K1123 WeakPolarHBondContact OD2-CB 3.49Å; D1092-K1123 PolarHBondContact OD2-N 2.96Å
1093P91.2Very high89.2Confident0 Ų012.6 Ų12.60%08%0.078CC..THydrogen-bonded Turntrans-52.6-24.6177.7-28.436.5000114.9A346 I350 L362 S366 M1120A346-P1093 HydrophobicContact CB-CB 4.03Å; A346-P1093 HydrophobicContact CB-CG 4.44Å; I350-P1093 HydrophobicContact CD1-CB 3.68Å; I350-P1093 HydrophobicContact CD1-CG 3.48Å; I350-P1093 VanDerWaalsContact CD1-CG 3.48Å; L362-P1093 HydrophobicContact CD1-CB 4.25Å; L362-P1093 HydrophobicContact CD1-CG 4.42Å; S366-P1093 WeakPolarHBondContact CB-O 3.4Å; P1093-M1120 HydrophobicContact CG-SD 3.57Å; P1093-M1120 VanDerWaalsContact CG-SD 3.57Å
1094L90.8Very high89.8Confident5 Ų512.9 Ų12.93%0.0268%0.078CC..THydrogen-bonded Turntrans-99.213.3-178.5-50.2-167.7000113.2L342 A346 F369 D1092 L1126 P1130 L1131L342-L1094 HydrophobicContact CB-CD1 4.31Å; L342-L1094 HydrophobicContact CD2-CD1 4.04Å; L342-L1094 HydrophobicContact CG-CD1 4.11Å; A346-L1094 HydrophobicContact CB-CD1 4.43Å; A346-L1094 HydrophobicContact CB-CD2 3.78Å; A346-L1094 HydrophobicContact CB-CG 4.08Å; F369-L1094 HydrophobicContact CD2-CD1 4.35Å; F369-L1094 HydrophobicContact CD2-CD2 3.36Å; F369-L1094 HydrophobicContact CD2-CG 4.41Å; F369-L1094 HydrophobicContact CE2-CD1 3.64Å; F369-L1094 HydrophobicContact CE2-CD2 3.53Å; F369-L1094 HydrophobicContact CE2-CG 4.18Å; F369-L1094 HydrophobicContact CG-CD2 4.26Å; F369-L1094 HydrophobicContact CZ-CD1 4.12Å; D1092-L1094 PolarHBondContact O-N 2.63Å; D1092-L1094 PolarHBondContact OD1-N 3.48Å; L1094-L1126 HydrophobicContact CD1-CD1 4.37Å; L1094-P1130 HydrophobicContact CB-CB 4.25Å; L1094-P1130 HydrophobicContact CB-CG 3.82Å; L1094-P1130 HydrophobicContact CD1-CG 3.94Å; L1094-L1131 WeakPolarHBondContact O-CG 3.5Å
1095S90.7Very high90.3Very high17 Ų1712.4 Ų12.412%0.1198%0.075CC..SBendtrans-84.5152.7173.882.10000112.5S420 D1092 S1097 A1098S420-S1095 PolarHBondContact OG-OG 3.41Å; D1092-S1095 WeakPolarHBondContact O-CB 3.26Å; D1092-S1095 PolarHBondContact O-N 2.87Å; D1092-S1095 PolarHBondContact O-OG 3.09Å; S1095-S1097 PolarHBondContact O-N 3.34Å; S1095-A1098 PolarHBondContact O-N 2.84Å; S1095-A1098 VanDerWaalsContact OG-CB 3.31Å; S1095-A1098 WeakPolarHBondContact OG-CB 3.48Å; S1095-A1098 PolarHBondContact OG-N 3.13Å
1096A87.4Confident90.5Very high50 Ų5014.6 Ų14.641%0.4139%0.091SC..THydrogen-bonded Turntrans-59.9-36.217600000112.4L1131A1096-L1131 HydrophobicContact CB-CD2 4.36Å
1097S88.8Confident90.7Very high48 Ų4813 Ų1334%0.3368%0.083SC..THydrogen-bonded Turntrans-70.7-35.5177.6-44.80000112.1S1095 Q1099 Q1100 I1101S1095-S1097 PolarHBondContact O-N 3.34Å; S1097-Q1099 PolarHBondContact O-N 3.26Å; S1097-Q1100 PolarHBondContact O-N 3.1Å; S1097-I1101 WeakPolarHBondContact O-CG1 3.27Å; S1097-I1101 PolarHBondContact O-N 2.95Å
1098A90.9Very high90.6Very high0 Ų013.2 Ų13.20%08%0.084CC..Hα-helixtrans-61.5-31.1177.800000112.7V1091 D1092 S1095 Q1100 I1101 S1102V1091-A1098 HydrophobicContact CB-CB 4.25Å; V1091-A1098 HydrophobicContact CG1-CB 4.25Å; D1092-A1098 WeakPolarHBondContact O-CB 3.13Å; S1095-A1098 PolarHBondContact O-N 2.84Å; S1095-A1098 VanDerWaalsContact OG-CB 3.31Å; S1095-A1098 WeakPolarHBondContact OG-CB 3.48Å; S1095-A1098 PolarHBondContact OG-N 3.13Å; A1098-Q1100 PolarHBondContact O-N 3.34Å; A1098-I1101 PolarHBondContact O-N 3.2Å; A1098-S1102 WeakPolarHBondContact O-CB 3.45Å; A1098-S1102 PolarHBondContact O-N 3.12Å; A1098-S1102 PolarHBondContact O-OG 3.06Å
1099Q90.5Very high90.6Very high0 Ų014.2 Ų14.20%010%0.096CC..Hα-helixtrans-60.3-28.8174.6-49.4-167.8-73.500113.4S366 Q367 S1097 S1102 L1131 L1135S366-Q1099 WeakPolarHBondContact O-CG 3.12Å; S366-Q1099 PolarHBondContact O-NE2 3.42Å; Q367-Q1099 PolarHBondContact NE2-O 3.23Å; S1097-Q1099 PolarHBondContact O-N 3.26Å; Q1099-S1102 PolarHBondContact O-OG 3.03Å; Q1099-L1131 HydrophobicContact CG-CD1 3.93Å; Q1099-L1131 HydrophobicContact CG-CD2 4.21Å; Q1099-L1135 HydrophobicContact CB-CB 4.17Å; Q1099-L1135 HydrophobicContact CB-CD2 3.54Å; Q1099-L1135 HydrophobicContact CB-CG 4.49Å
1100Q89Confident90.3Very high43 Ų4319.1 Ų19.120%0.20112%0.118CC..Hα-helixtrans-90.9-46.4174.8-65.9179.9-6.400111.6S1097 A1098 S1102 H1103 L1104 L1135S1097-Q1100 PolarHBondContact O-N 3.1Å; A1098-Q1100 PolarHBondContact O-N 3.34Å; Q1100-S1102 VanDerWaalsContact C-N 3.26Å; Q1100-S1102 PolarHBondContact O-N 2.96Å; Q1100-H1103 PolarHBondContact O-N 2.98Å; Q1100-L1104 WeakPolarHBondContact O-CB 3.48Å; Q1100-L1104 PolarHBondContact O-N 2.79Å; Q1100-L1135 HydrophobicContact CG-CD2 3.94Å
1101I92Very high90.2Very high3 Ų319.4 Ų19.42%0.01512%0.12CC..Hα-helixtrans-56.9-40.6-179.6-67.3164000110.9L431 A1089 V1091 S1097 A1098 H1103 L1104 L1105L431-I1101 HydrophobicContact CD1-CD1 4.28Å; L431-I1101 HydrophobicContact CD1-CG1 3.46Å; L431-I1101 VanDerWaalsContact CD1-CG1 3.46Å; A1089-I1101 HydrophobicContact CB-CG2 4.43Å; V1091-I1101 HydrophobicContact CG1-CB 4.26Å; V1091-I1101 HydrophobicContact CG1-CD1 3.81Å; V1091-I1101 HydrophobicContact CG1-CG2 3.85Å; S1097-I1101 WeakPolarHBondContact O-CG1 3.27Å; S1097-I1101 PolarHBondContact O-N 2.95Å; A1098-I1101 PolarHBondContact O-N 3.2Å; I1101-H1103 PolarHBondContact O-N 2.93Å; I1101-L1104 PolarHBondContact O-N 2.71Å; I1101-L1105 HydrophobicContact CG2-CD1 3.72Å; I1101-L1105 HydrophobicContact CG2-CG 3.99Å; I1101-L1105 WeakPolarHBondContact O-CB 3.3Å; I1101-L1105 VanDerWaalsContact O-CG 3.28Å; I1101-L1105 WeakPolarHBondContact O-CG 3.37Å; I1101-L1105 PolarHBondContact O-N 2.92Å
1102S92.4Very high90Very high0 Ų019.5 Ų19.50%012%0.121CC..Hα-helixtrans-58.4-49.8-17862.10000112.9S366 A1098 Q1099 Q1100 S1106S366-S1102 PolarHBondContact OG-OG 3.37Å; A1098-S1102 WeakPolarHBondContact O-CB 3.45Å; A1098-S1102 PolarHBondContact O-N 3.12Å; A1098-S1102 PolarHBondContact O-OG 3.06Å; Q1099-S1102 PolarHBondContact O-OG 3.03Å; Q1100-S1102 VanDerWaalsContact C-N 3.26Å; Q1100-S1102 PolarHBondContact O-N 2.96Å; S1102-S1106 PolarHBondContact O-N 3.43Å
1103H90.7Very high89.9Confident27 Ų2720 Ų2013%0.12512%0.123CC..Hα-helixtrans-67-43174.1-171.391.2000111.6Q363 Q1100 I1101 L1105 S1106 T1107 V1137Q363-H1103 PolarHBondContact NE2-ND1 3.07Å; Q1100-H1103 PolarHBondContact O-N 2.98Å; I1101-H1103 PolarHBondContact O-N 2.93Å; H1103-L1105 VanDerWaalsContact C-N 3.34Å; H1103-L1105 PolarHBondContact O-N 3.1Å; H1103-S1106 WeakPolarHBondContact O-CA 3.48Å; H1103-S1106 WeakPolarHBondContact O-CB 3.38Å; H1103-S1106 PolarHBondContact O-N 3.37Å; H1103-S1106 VanDerWaalsContact O-N 3.07Å; H1103-T1107 PolarHBondContact CD2-OG1 3.46Å; H1103-T1107 PolarHBondContact O-N 3.16Å; H1103-T1107 PolarHBondContact O-OG1 2.84Å; H1103-V1137 HydrophobicContact CB-CB 4.05Å; H1103-V1137 HydrophobicContact CB-CG2 3.98Å; H1103-V1137 VanDerWaalsContact CD2-CG1 3.5Å; H1103-V1137 WeakPolarHBondContact CD2-CG1 3.31Å
1104L90.6Very high89.8Confident16 Ų1620.5 Ų20.58%0.08413%0.127CC..Hα-helixtrans-59.9-42.3-178.5-173.364.3000112.3L431 I436 L439 Q1100 I1101 S1106 T1107 I1108L431-L1104 HydrophobicContact CD1-CD2 4.2Å; L431-L1104 HydrophobicContact CD2-CD2 3.57Å; I436-L1104 HydrophobicContact CD1-CD1 3.95Å; L439-L1104 HydrophobicContact CD2-CD1 3.91Å; L439-L1104 HydrophobicContact CD2-CD2 4.15Å; L439-L1104 HydrophobicContact CD2-CG 4.45Å; Q1100-L1104 WeakPolarHBondContact O-CB 3.48Å; Q1100-L1104 PolarHBondContact O-N 2.79Å; I1101-L1104 PolarHBondContact O-N 2.71Å; L1104-S1106 VanDerWaalsContact C-N 3.35Å; L1104-T1107 PolarHBondContact O-N 3.36Å; L1104-I1108 HydrophobicContact CD1-CD1 3.85Å; L1104-I1108 HydrophobicContact CD1-CG1 4.25Å; L1104-I1108 HydrophobicContact CD2-CD1 4.39Å; L1104-I1108 HydrophobicContact CG-CD1 3.71Å; L1104-I1108 HydrophobicContact CG-CG1 4.42Å; L1104-I1108 VanDerWaalsContact O-CB 3.32Å; L1104-I1108 WeakPolarHBondContact O-CB 3.23Å; L1104-I1108 WeakPolarHBondContact O-CG1 3.31Å; L1104-I1108 PolarHBondContact O-N 2.74Å
1105L92.5Very high89.5Confident0 Ų021 Ų210%013%0.13CC..Hα-helixtrans-62.4-41173.9-70.7174.1000111.9L359 L362 I422 I1087 A1089 I1101 H1103 G1109 I1116 L1118L359-L1105 HydrophobicContact CD1-CB 4.43Å; L359-L1105 HydrophobicContact CD2-CB 3.92Å; L359-L1105 HydrophobicContact CD2-CD1 4.14Å; L362-L1105 HydrophobicContact CD2-CD1 4.49Å; I422-L1105 HydrophobicContact CD1-CD2 3.75Å; I422-L1105 HydrophobicContact CD1-CG 4.5Å; I1087-L1105 HydrophobicContact CG2-CD2 3.66Å; A1089-L1105 HydrophobicContact CB-CD1 3.72Å; A1089-L1105 HydrophobicContact CB-CD2 4.18Å; I1101-L1105 HydrophobicContact CG2-CD1 3.72Å; I1101-L1105 HydrophobicContact CG2-CG 3.99Å; I1101-L1105 WeakPolarHBondContact O-CB 3.3Å; I1101-L1105 VanDerWaalsContact O-CG 3.28Å; I1101-L1105 WeakPolarHBondContact O-CG 3.37Å; I1101-L1105 PolarHBondContact O-N 2.92Å; H1103-L1105 VanDerWaalsContact C-N 3.34Å; H1103-L1105 PolarHBondContact O-N 3.1Å; L1105-G1109 PolarHBondContact O-N 2.83Å; L1105-I1116 HydrophobicContact CD2-CG2 4.04Å; L1105-L1118 HydrophobicContact CD1-CD1 3.99Å
1106S90.8Very high89.5Confident49 Ų4920.4 Ų20.434%0.34313%0.125SC..Hα-helixtrans-62.9-48.8175.9-170.80000111.8S1102 H1103 L1104 H1110S1102-S1106 PolarHBondContact O-N 3.43Å; H1103-S1106 WeakPolarHBondContact O-CA 3.48Å; H1103-S1106 WeakPolarHBondContact O-CB 3.38Å; H1103-S1106 PolarHBondContact O-N 3.37Å; H1103-S1106 VanDerWaalsContact O-N 3.07Å; L1104-S1106 VanDerWaalsContact C-N 3.35Å; S1106-H1110 PolarHBondContact O-N 3.16Å
1107T90Very high89.6Confident3 Ų318.8 Ų18.82%0.01811%0.11CC..Hα-helixtrans-58.9-51.6175.4-470000111.5F130 H1103 L1104 H1110 V1111 I1139 T1141F130-T1107 HydrophobicContact CE2-CG2 3.61Å; F130-T1107 HydrophobicContact CZ-CG2 4Å; H1103-T1107 PolarHBondContact CD2-OG1 3.46Å; H1103-T1107 PolarHBondContact O-N 3.16Å; H1103-T1107 PolarHBondContact O-OG1 2.84Å; L1104-T1107 PolarHBondContact O-N 3.36Å; T1107-H1110 PolarHBondContact O-N 3.48Å; T1107-V1111 WeakPolarHBondContact O-CG2 3.44Å; T1107-V1111 PolarHBondContact O-N 3.35Å; T1107-V1111 VanDerWaalsContact O-N 3.13Å; T1107-I1139 HydrophobicContact CG2-CG2 3.7Å; T1107-T1141 HydrophobicContact CG2-CG2 3.96Å
1108I89.1Confident89.6Confident6 Ų616.5 Ų16.53%0.03110%0.095CC..Hα-helixtrans-65.3-45-176.2-68.6173.6000110.6L439 I1087 L1104 H1110 V1111 I1112L439-I1108 HydrophobicContact CD2-CD1 3.92Å; I1087-I1108 HydrophobicContact CD1-CG2 3.59Å; L1104-I1108 HydrophobicContact CD1-CD1 3.85Å; L1104-I1108 HydrophobicContact CD1-CG1 4.25Å; L1104-I1108 HydrophobicContact CD2-CD1 4.39Å; L1104-I1108 HydrophobicContact CG-CD1 3.71Å; L1104-I1108 HydrophobicContact CG-CG1 4.42Å; L1104-I1108 VanDerWaalsContact O-CB 3.32Å; L1104-I1108 WeakPolarHBondContact O-CB 3.23Å; L1104-I1108 WeakPolarHBondContact O-CG1 3.31Å; L1104-I1108 PolarHBondContact O-N 2.74Å; I1108-H1110 PolarHBondContact O-N 2.86Å; I1108-H1110 VanDerWaalsContact O-N 3.14Å; I1108-V1111 PolarHBondContact O-N 3.14Å; I1108-I1112 HydrophobicContact CG2-CD1 3.4Å; I1108-I1112 HydrophobicContact CG2-CG1 3.58Å; I1108-I1112 WeakPolarHBondContact O-CG1 3.3Å; I1108-I1112 PolarHBondContact O-N 3.45Å
1109G88.2Confident89.5Confident26 Ų2616.5 Ų16.527%0.26810%0.095SC..Hα-helixtrans-62.2-17.817700000114.6L1105L1105-G1109 PolarHBondContact O-N 2.83Å
1110H87.5Confident89.4Confident104 Ų10416.9 Ų16.948%0.48110%0.096SC..Hα-helixtrans-85.6-39.4169.2-167.691.1000112.7K126 S1106 T1107 I1108 T1141 Q1142K126-H1110 PolarHBondContact NZ-O 2.9Å; S1106-H1110 PolarHBondContact O-N 3.16Å; T1107-H1110 PolarHBondContact O-N 3.48Å; I1108-H1110 PolarHBondContact O-N 2.86Å; I1108-H1110 VanDerWaalsContact O-N 3.14Å; H1110-T1141 HydrophobicContact CB-CG2 4.04Å; H1110-Q1142 VanDerWaalsContact NE2-CD 3.26Å; H1110-Q1142 PolarHBondContact NE2-NE2 3.34Å
1111V87.8Confident89.3Confident6 Ų615 Ų154%0.0369%0.088CC..Hα-helixtrans-81.8-41.7-172.5174.90000113K126 L127 F130 T1107 I1108K126-V1111 WeakPolarHBondContact CB-O 3.47Å; K126-V1111 WeakPolarHBondContact CD-O 3.45Å; L127-V1111 HydrophobicContact CD2-CG1 3.92Å; F130-V1111 HydrophobicContact CB-CB 4.49Å; F130-V1111 HydrophobicContact CB-CG1 3.67Å; F130-V1111 HydrophobicContact CB-CG2 3.89Å; F130-V1111 HydrophobicContact CD1-CG1 4.1Å; F130-V1111 HydrophobicContact CD1-CG2 4.42Å; F130-V1111 HydrophobicContact CD2-CG2 3.59Å; F130-V1111 HydrophobicContact CE2-CG2 4.2Å; F130-V1111 HydrophobicContact CG-CB 4.45Å; F130-V1111 HydrophobicContact CG-CG1 3.89Å; F130-V1111 HydrophobicContact CG-CG2 3.71Å; T1107-V1111 WeakPolarHBondContact O-CG2 3.44Å; T1107-V1111 PolarHBondContact O-N 3.35Å; T1107-V1111 VanDerWaalsContact O-N 3.13Å; I1108-V1111 PolarHBondContact O-N 3.14Å
1112I88.6Confident89Confident2 Ų215.3 Ų15.31%0.019%0.09CC..SBendtrans-110.7165.4177.465.2178.6000111.2L127 L443 F1085 I1108 A1114L127-I1112 HydrophobicContact CD2-CG2 3.86Å; L127-I1112 HydrophobicContact CG-CG2 4.36Å; L443-I1112 HydrophobicContact CD2-CD1 3.97Å; F1085-I1112 HydrophobicContact CB-CD1 3.96Å; F1085-I1112 HydrophobicContact CD1-CD1 3.85Å; F1085-I1112 HydrophobicContact CD2-CB 4.18Å; F1085-I1112 HydrophobicContact CD2-CD1 3.76Å; F1085-I1112 HydrophobicContact CD2-CG1 4.33Å; F1085-I1112 HydrophobicContact CE1-CD1 4.18Å; F1085-I1112 HydrophobicContact CE2-CB 4.25Å; F1085-I1112 HydrophobicContact CE2-CD1 4.1Å; F1085-I1112 HydrophobicContact CE2-CG2 4.35Å; F1085-I1112 HydrophobicContact CG-CD1 3.61Å; F1085-I1112 HydrophobicContact CZ-CD1 4.28Å; I1108-I1112 HydrophobicContact CG2-CD1 3.4Å; I1108-I1112 HydrophobicContact CG2-CG1 3.58Å; I1108-I1112 WeakPolarHBondContact O-CG1 3.3Å; I1108-I1112 PolarHBondContact O-N 3.45Å; I1112-A1114 HydrophobicContact CD1-CB 4.47Å; I1112-A1114 HydrophobicContact CG1-CB 4.25Å
1113N88.4Confident88.7Confident15 Ų1520.5 Ų20.58%0.0811%0.112CC..  trans-89.8109.8170.8-174.758.6000108.2S1077 K1078 D1079 S1082 A1083 T1084 F1085S1077-N1113 WeakPolarHBondContact CB-OD1 3.43Å; K1078-N1113 PolarHBondContact N-OD1 3.1Å; K1078-N1113 VanDerWaalsContact N-OD1 3.16Å; D1079-N1113 PolarHBondContact N-OD1 3.33Å; D1079-N1113 PolarHBondContact O-ND2 3.07Å; S1082-N1113 PolarHBondContact OG-ND2 3.29Å; S1082-N1113 VanDerWaalsContact OG-ND2 3.12Å; A1083-N1113 PolarHBondContact O-ND2 3.29Å; T1084-N1113 WeakPolarHBondContact CA-O 3.45Å; T1084-N1113 PolarHBondContact OG1-ND2 3.04Å; F1085-N1113 PolarHBondContact N-O 2.77Å
1114A88.4Confident88Confident10 Ų1021.8 Ų21.88%0.08312%0.123CC..EExtended strand (participates in β ladder)trans-136.9142.6-173.900000112.4S1077 F1085 I1087 I1112 I1116S1077-A1114 VanDerWaalsContact CA-O 3.31Å; S1077-A1114 WeakPolarHBondContact CA-O 3.37Å; S1077-A1114 PolarHBondContact N-O 2.9Å; F1085-A1114 HydrophobicContact CB-CB 3.9Å; F1085-A1114 CarbonylContact O-C 3.58Å; F1085-A1114 VanDerWaalsContact O-CA 3.26Å; F1085-A1114 WeakPolarHBondContact O-CA 3.41Å; I1087-A1114 HydrophobicContact CD1-CB 3.98Å; I1087-A1114 HydrophobicContact CG1-CB 4.3Å; I1112-A1114 HydrophobicContact CD1-CB 4.47Å; I1112-A1114 HydrophobicContact CG1-CB 4.25Å; A1114-I1116 HydrophobicContact CB-CG1 4.24Å
1115D86.2Confident87.4Confident16 Ų1627.7 Ų27.79%0.08615%0.148CC..EExtended strand (participates in β ladder)trans-85.9129.1155.8-67.9-21.5000107.4S1077 T1084 F1085 I1087S1077-D1115 WeakPolarHBondContact CB-OD1 3.36Å; S1077-D1115 PolarHBondContact N-OD1 3.35Å; S1077-D1115 PolarHBondContact OG-OD1 2.94Å; T1084-D1115 HydrophobicContact CG2-CB 4.29Å; F1085-D1115 PolarHBondContact O-N 3.26Å; I1087-D1115 PolarHBondContact N-O 3.42Å
1116I89.9Confident86.7Confident4 Ų428.5 Ų28.52%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-119.7115.3-178.9-51.6179.9000109.3L359 I1075 I1087 L1105 A1114L359-I1116 HydrophobicContact CD1-CD1 4.33Å; I1075-I1116 HydrophobicContact CB-CB 4.36Å; I1075-I1116 PolarHBondContact N-O 2.95Å; I1075-I1116 PolarHBondContact O-N 2.91Å; I1087-I1116 HydrophobicContact CB-CG1 4.25Å; I1087-I1116 HydrophobicContact CB-CG2 4.4Å; I1087-I1116 HydrophobicContact CD1-CG1 4.32Å; I1087-I1116 HydrophobicContact CG2-CG2 4.48Å; I1087-I1116 CarbonylContact O-C 3.6Å; I1087-I1116 WeakPolarHBondContact O-CA 3.47Å; L1105-I1116 HydrophobicContact CD2-CG2 4.04Å; A1114-I1116 HydrophobicContact CB-CG1 4.24Å
1117T89.1Confident86.1Confident16 Ų1631.1 Ų31.110%0.09817%0.171CC..EExtended strand (participates in β ladder)trans-97.4111.5170-62.10000108.8P1065 C1072 D1074 I1087 V1088 A1089P1065-T1117 HydrophobicContact CG-CG2 4.04Å; C1072-T1117 HydrophobicContact CB-CG2 4.25Å; D1074-T1117 VanDerWaalsContact OD1-CB 3.32Å; D1074-T1117 WeakPolarHBondContact OD1-CB 3.28Å; D1074-T1117 WeakPolarHBondContact OD1-CG2 3.38Å; D1074-T1117 PolarHBondContact OD1-OG1 3.33Å; I1087-T1117 PolarHBondContact O-N 3.04Å; V1088-T1117 WeakPolarHBondContact CA-O 3.49Å; A1089-T1117 PolarHBondContact N-O 2.89Å
1118L89.8Confident85.5Confident1 Ų134.9 Ų34.91%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-103.1115.7179-179.172.6000109.9I350 V358 L362 C1072 V1073 A1089 V1091 L1105 M1120I350-L1118 HydrophobicContact CG2-CD2 4.01Å; V358-L1118 HydrophobicContact CG1-CD2 3.73Å; L362-L1118 HydrophobicContact CD2-CD1 3.88Å; L362-L1118 HydrophobicContact CD2-CD2 3.96Å; C1072-L1118 CarbonylContact C-O 3.53Å; C1072-L1118 WeakPolarHBondContact CA-O 3.36Å; V1073-L1118 PolarHBondContact N-O 2.94Å; V1073-L1118 PolarHBondContact O-N 3.21Å; A1089-L1118 HydrophobicContact CB-CD1 3.99Å; A1089-L1118 CarbonylContact O-C 3.53Å; A1089-L1118 WeakPolarHBondContact O-CA 3.22Å; V1091-L1118 HydrophobicContact CG2-CD1 3.7Å; L1105-L1118 HydrophobicContact CD1-CD1 3.99Å; L1118-M1120 HydrophobicContact CD1-CE 4.2Å; L1118-M1120 HydrophobicContact CD2-CE 3.81Å; L1118-M1120 HydrophobicContact CG-CE 3.63Å
1119C88.7Confident85.1Confident0 Ų037.5 Ų37.50%020%0.204CC..EExtended strand (participates in β ladder)trans-113.2134.6-178.7-66.90000112.3F410 S1071 C1072 A1089 I1090 V1091F410-C1119 HydrophobicContact CZ-CB 4.3Å; S1071-C1119 WeakPolarHBondContact O-CA 3.41Å; C1072-C1119 HydrophobicContact CB-CB 4.07Å; C1072-C1119 WeakPolarHBondContact CB-SG 3.27Å; C1072-C1119 WeakPolarHBondContact SG-CB 3.49Å; C1072-C1119 CovalentContact SG-SG 2.04Å; C1072-C1119 PolarHBondContact SG-SG 2.89Å; A1089-C1119 PolarHBondContact O-N 3.19Å; I1090-C1119 WeakPolarHBondContact CA-O 3.23Å; V1091-C1119 PolarHBondContact N-O 3.15Å
1120M87.2Confident84.8Confident7 Ų738.4 Ų38.43%0.03421%0.205CC..EExtended strand (participates in β ladder)trans-86.2123.5-178.9-60.6-65.199.600111.4I350 L351 L406 S1071 V1091 P1093 L1118I350-M1120 HydrophobicContact CB-SD 4.42Å; I350-M1120 HydrophobicContact CD1-SD 4.27Å; I350-M1120 HydrophobicContact CG2-CE 4.29Å; I350-M1120 HydrophobicContact CG2-SD 4.42Å; L351-M1120 HydrophobicContact CD1-CG 4.1Å; L351-M1120 HydrophobicContact CD2-CG 3.85Å; L351-M1120 HydrophobicContact CG-CG 3.88Å; L406-M1120 WeakPolarHBondContact CD1-O 3.47Å; S1071-M1120 PolarHBondContact O-N 3.13Å; V1091-M1120 HydrophobicContact CG2-CE 3.71Å; V1091-M1120 CarbonylContact O-C 3.52Å; V1091-M1120 WeakPolarHBondContact O-CA 3.18Å; P1093-M1120 HydrophobicContact CG-SD 3.57Å; P1093-M1120 VanDerWaalsContact CG-SD 3.57Å; L1118-M1120 HydrophobicContact CD1-CE 4.2Å; L1118-M1120 HydrophobicContact CD2-CE 3.81Å; L1118-M1120 HydrophobicContact CG-CE 3.63Å
1121N87.9Confident84.8Confident4 Ų433.8 Ų33.82%0.02118%0.184CC..  trans-119.648.3-179.8-173.740.4000111.7E416 G418 D419 I1090 V1091E416-N1121 PolarHBondContact O-ND2 2.91Å; G418-N1121 WeakPolarHBondContact CA-O 3.18Å; G418-N1121 PolarHBondContact N-O 3.29Å; D419-N1121 PolarHBondContact O-ND2 3.28Å; I1090-N1121 HydrophobicContact CG2-CB 3.55Å; V1091-N1121 PolarHBondContact O-N 3.32Å
1122C85.7Confident84.7Confident9 Ų937.6 Ų37.66%0.06120%0.2CC..PPolyproline II helixtrans-58.2133.1-171.1-55.80000114S343 F344S343-C1122 PolarHBondContact O-SG 3.44Å; F344-C1122 HydrophobicContact CD1-CB 3.5Å; F344-C1122 VanDerWaalsContact CD1-CB 3.5Å; F344-C1122 HydrophobicContact CD2-CB 4.47Å; F344-C1122 HydrophobicContact CE1-CB 3.69Å; F344-C1122 HydrophobicContact CG-CB 3.92Å; F344-C1122 HydrophobicContact CZ-CB 4.27Å
1123K84.5Confident84.7Confident109 Ų10939.5 Ų39.547%0.47421%0.207SC..PPolyproline II helixtrans-77.6125.7175.5-169.2167.9-175.9168.10111.7D1092 L1126D1092-K1123 WeakPolarHBondContact OD2-CB 3.49Å; D1092-K1123 PolarHBondContact OD2-N 2.96Å; K1123-L1126 HydrophobicContact CB-CD2 4.22Å; K1123-L1126 HydrophobicContact CD-CD2 4.16Å; K1123-L1126 HydrophobicContact CG-CD2 4.21Å
1124P77Confident85Confident54 Ų5438.9 Ų38.935%0.35120%0.204SC..SBendtrans-80.7149174.732.1-34.4000112.5F344F344-P1124 HydrophobicContact CE2-CB 3.87Å; F344-P1124 HydrophobicContact CZ-CB 4.17Å
1125K78.8Confident85.2Confident141 Ų14138.4 Ų38.461%0.61320%0.2SC*.SBendtrans58.861171.8-55.7-178.7177.5-1740114.2Q340 S1127Q340-K1125 WeakPolarHBondContact O-CA 3.43Å; Q340-K1125 PolarHBondContact O-N 2.96Å; K1125-S1127 PolarHBondContact O-N 3.33Å
1126L77.8Confident85.6Confident17 Ų1739.7 Ų39.79%0.08920%0.203CC..  trans-61.2136.7168.5-54.8176.6000110.5L339 L342 L1094 K1123 P1130L339-L1126 HydrophobicContact CB-CB 4.27Å; L339-L1126 WeakPolarHBondContact O-CB 3.48Å; L342-L1126 HydrophobicContact CB-CD1 4.32Å; L1094-L1126 HydrophobicContact CD1-CD1 4.37Å; K1123-L1126 HydrophobicContact CB-CD2 4.22Å; K1123-L1126 HydrophobicContact CD-CD2 4.16Å; K1123-L1126 HydrophobicContact CG-CD2 4.21Å; L1126-P1130 HydrophobicContact CD1-CB 4.23Å; L1126-P1130 HydrophobicContact CD1-CG 3.83Å
1127S78.2Confident85.7Confident103 Ų10340.4 Ų40.472%0.7221%0.208SC*.SBendtrans-101.6-16.7178.855.80000113.6K1125K1125-S1127 PolarHBondContact O-N 3.33Å
1128D77.1Confident85.9Confident83 Ų8339.8 Ų39.844%0.44420%0.204SC..SBendtrans-148.6163.7-176.5-174.614.6000108.2K1132D1128-K1132 WeakPolarHBondContact OD1-CE 3.35Å; D1128-K1132 IonicContact OD1-NZ 3.39Å; D1128-K1132 PolarHBondContact OD1-NZ 2.71Å; D1128-K1132 WeakPolarHBondContact OD2-CE 3.46Å; D1128-K1132 IonicContact OD2-NZ 3.15Å; D1128-K1132 PolarHBondContact OD2-NZ 2.89Å
1129I80.2Confident86Confident60 Ų6040.7 Ų40.731%0.30821%0.209SC..  trans-64.6117.8179.2-61.6180000108.6L339 F369 L1131 K1132L339-I1129 HydrophobicContact CD1-CG1 4.3Å; L339-I1129 HydrophobicContact CD2-CG1 4.16Å; F369-I1129 HydrophobicContact CE1-CG2 3.75Å; I1129-L1131 PolarHBondContact O-N 2.82Å; I1129-K1132 HydrophobicContact CB-CG 4.41Å; I1129-K1132 HydrophobicContact CG2-CG 4.32Å
1130P82.4Confident86Confident46 Ų4641.6 Ų41.630%0.29922%0.215SC..SBendtrans-72.3-27.8-165.128.4-37.2000114F369 L1094 L1126F369-P1130 HydrophobicContact CE1-CG 3.88Å; F369-P1130 HydrophobicContact CZ-CG 3.78Å; L1094-P1130 HydrophobicContact CB-CB 4.25Å; L1094-P1130 HydrophobicContact CB-CG 3.82Å; L1094-P1130 HydrophobicContact CD1-CG 3.94Å; L1126-P1130 HydrophobicContact CD1-CB 4.23Å; L1126-P1130 HydrophobicContact CD1-CG 3.83Å
1131L87.4Confident86Confident6 Ų643.4 Ų43.43%0.03123%0.227CC..  trans-129110.3176.5-62.3170.1000109.5F369 L1094 A1096 Q1099 I1129 R1133F369-L1131 HydrophobicContact CB-CB 4.26Å; F369-L1131 HydrophobicContact CB-CD1 3.97Å; F369-L1131 HydrophobicContact CD1-CB 3.65Å; F369-L1131 HydrophobicContact CD1-CD1 4.49Å; F369-L1131 HydrophobicContact CD1-CG 4.49Å; F369-L1131 WeakPolarHBondContact CD1-O 3.43Å; F369-L1131 HydrophobicContact CE1-CB 4.37Å; F369-L1131 HydrophobicContact CG-CB 4.2Å; F369-L1131 HydrophobicContact CG-CD1 4.24Å; L1094-L1131 WeakPolarHBondContact O-CG 3.5Å; A1096-L1131 HydrophobicContact CB-CD2 4.36Å; Q1099-L1131 HydrophobicContact CG-CD1 3.93Å; Q1099-L1131 HydrophobicContact CG-CD2 4.21Å; I1129-L1131 PolarHBondContact O-N 2.82Å; L1131-R1133 VanDerWaalsContact C-N 3.32Å
1132K85.2Confident86Confident86 Ų8646.8 Ų46.837%0.37424%0.242SC..  trans-97.630.6177.3-62.9178.8177.7175.70112I265 D1128 I1129I265-K1132 WeakPolarHBondContact CB-O 3.48Å; I265-K1132 PolarHBondContact N-O 2.87Å; D1128-K1132 WeakPolarHBondContact OD1-CE 3.35Å; D1128-K1132 IonicContact OD1-NZ 3.39Å; D1128-K1132 PolarHBondContact OD1-NZ 2.71Å; D1128-K1132 WeakPolarHBondContact OD2-CE 3.46Å; D1128-K1132 IonicContact OD2-NZ 3.15Å; D1128-K1132 PolarHBondContact OD2-NZ 2.89Å; I1129-K1132 HydrophobicContact CB-CG 4.41Å; I1129-K1132 HydrophobicContact CG2-CG 4.32Å
1133R89.7Confident86.2Confident42 Ų4247.4 Ų47.416%0.15825%0.245CC..EExtended strand (participates in β ladder)trans-152.9150.4-173.767.5178.7-171.6-175.20.4113.1E262 L263 A264 L1131E262-R1133 HydrophobicContact CG-CB 4.15Å; E262-R1133 WeakPolarHBondContact OE1-CD 3.25Å; E262-R1133 IonicContact OE1-NH1 3.53Å; E262-R1133 IonicContact OE2-CZ 3.17Å; E262-R1133 IonicContact OE2-NH1 2.65Å; E262-R1133 PolarHBondContact OE2-NH1 2.68Å; L263-R1133 WeakPolarHBondContact O-CA 3.21Å; A264-R1133 HydrophobicContact CB-CB 4.4Å; L1131-R1133 VanDerWaalsContact C-N 3.32Å
1134F93Very high86.4Confident2 Ų246.3 Ų46.31%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-89.5148.7161.2-55.1-89.9000109.4L263 I265 Q367 P370 L371 F1159 L1162 F1168L263-F1134 HydrophobicContact CB-CB 4.31Å; L263-F1134 PolarHBondContact N-O 3.43Å; L263-F1134 PolarHBondContact O-N 2.98Å; I265-F1134 HydrophobicContact CD1-CE2 4.05Å; I265-F1134 HydrophobicContact CG1-CE2 4.13Å; Q367-F1134 WeakPolarHBondContact O-CA 3.41Å; P370-F1134 HydrophobicContact CB-CE1 4.18Å; P370-F1134 HydrophobicContact CB-CE2 4.24Å; P370-F1134 HydrophobicContact CB-CZ 3.75Å; P370-F1134 HydrophobicContact CG-CE1 4.15Å; P370-F1134 HydrophobicContact CG-CE2 4.18Å; P370-F1134 HydrophobicContact CG-CZ 3.97Å; L371-F1134 HydrophobicContact CB-CE1 4.43Å; L371-F1134 HydrophobicContact CD1-CE1 3.69Å; L371-F1134 HydrophobicContact CD1-CZ 4.11Å; L371-F1134 HydrophobicContact CG-CE1 3.81Å; L371-F1134 HydrophobicContact CG-CZ 3.95Å; F1134-F1159 HydrophobicContact CB-CD1 3.82Å; F1134-F1159 HydrophobicContact CB-CE1 3.65Å; F1134-L1162 HydrophobicContact CD2-CD2 4.32Å; F1134-L1162 HydrophobicContact CE2-CD2 4.27Å; F1134-L1162 HydrophobicContact CZ-CD2 4.49Å; F1134-F1168 HydrophobicContact CD2-CE1 4.49Å; F1134-F1168 AromaticContact CE2-CE1 3.9Å; F1134-F1168 HydrophobicContact CE2-CE1 3.9Å
1135L94.2Very high87Confident0 Ų045.7 Ų45.70%023%0.233CC..EExtended strand (participates in β ladder)trans-128.5145.3174.5-161.676.9000110.9V261 E262 Q367 Q1099 Q1100 V1137 I1173V261-L1135 WeakPolarHBondContact O-CA 3.49Å; V261-L1135 WeakPolarHBondContact O-CD1 3.17Å; E262-L1135 HydrophobicContact CB-CD1 4.07Å; Q367-L1135 WeakPolarHBondContact CB-O 3.44Å; Q367-L1135 PolarHBondContact O-N 3.01Å; Q1099-L1135 HydrophobicContact CB-CB 4.17Å; Q1099-L1135 HydrophobicContact CB-CD2 3.54Å; Q1099-L1135 HydrophobicContact CB-CG 4.49Å; Q1100-L1135 HydrophobicContact CG-CD2 3.94Å; L1135-V1137 HydrophobicContact CD2-CG2 4.3Å; L1135-I1173 HydrophobicContact CD1-CD1 4.07Å
1136R93.9Very high87.3Confident43 Ų4342.1 Ų42.116%0.16222%0.221CC..EExtended strand (participates in β ladder)trans-135.3128.2167.2-68.1-66.1-177.6-93.74.3109.3S260 V261 Q367 N368 A1157 R1158 F1159S260-R1136 CarbonylContact C-O 3.49Å; S260-R1136 WeakPolarHBondContact CA-O 3.33Å; V261-R1136 PolarHBondContact N-O 3.29Å; V261-R1136 PolarHBondContact O-N 3.32Å; Q367-R1136 PolarHBondContact O-NH1 3.27Å; N368-R1136 VanDerWaalsContact OD1-CZ 3.24Å; N368-R1136 PolarHBondContact OD1-NH1 2.91Å; N368-R1136 PolarHBondContact OD1-NH2 3.27Å; R1136-A1157 HydrophobicContact CB-CB 3.86Å; R1136-R1158 PolarHBondContact NE-O 3.41Å; R1136-R1158 VanDerWaalsContact NE-O 3.1Å; R1136-F1159 HydrophobicContact CB-CE1 4.26Å; R1136-F1159 HydrophobicContact CB-CE2 4.43Å; R1136-F1159 HydrophobicContact CB-CZ 3.99Å; R1136-F1159 HydrophobicContact CG-CD1 3.83Å; R1136-F1159 HydrophobicContact CG-CD2 4.41Å; R1136-F1159 HydrophobicContact CG-CE1 3.53Å; R1136-F1159 HydrophobicContact CG-CE2 4.14Å; R1136-F1159 HydrophobicContact CG-CG 4.26Å; R1136-F1159 HydrophobicContact CG-CZ 3.7Å
1137V92Very high87.6Confident20 Ų2051.6 Ų51.612%0.12127%0.265CS..EExtended strand (participates in β ladder)trans-97.9131.1178.9-177.50000108.7H1103 L1135 I1139H1103-V1137 HydrophobicContact CB-CB 4.05Å; H1103-V1137 HydrophobicContact CB-CG2 3.98Å; H1103-V1137 VanDerWaalsContact CD2-CG1 3.5Å; H1103-V1137 WeakPolarHBondContact CD2-CG1 3.31Å; L1135-V1137 HydrophobicContact CD2-CG2 4.3Å; V1137-I1139 HydrophobicContact CG1-CB 4.5Å; V1137-I1139 HydrophobicContact CG1-CD1 3.62Å; V1137-I1139 HydrophobicContact CG1-CG1 3.86Å; V1137-I1139 PolarHBondContact O-N 2.87Å
1138A92.7Very high87.7Confident2 Ų251.9 Ų51.92%0.01726%0.258CS..  trans-10168.5-17400000111.4S257 G258 Y259 P1155S257-A1138 WeakPolarHBondContact CA-O 3.46Å; G258-A1138 PolarHBondContact N-O 3.01Å; Y259-A1138 HydrophobicContact CD1-CB 4.24Å; Y259-A1138 HydrophobicContact CD2-CB 3.85Å; Y259-A1138 HydrophobicContact CE1-CB 3.82Å; Y259-A1138 HydrophobicContact CE2-CB 3.37Å; Y259-A1138 HydrophobicContact CG-CB 4.24Å; Y259-A1138 WeakPolarHBondContact O-CB 3.07Å; Y259-A1138 PolarHBondContact O-N 2.8Å; A1138-P1155 HydrophobicContact CB-CB 4.09Å; A1138-P1155 HydrophobicContact CB-CG 4.17Å; A1138-P1155 WeakPolarHBondContact O-CG 3.46Å
1139I91.6Very high87.8Confident21 Ų2148.1 Ų48.111%0.10824%0.239CC..  trans-126109.3177.9-60168.8000109.6F130 I134 I436 T1107 V1137F130-I1139 HydrophobicContact CE2-CG2 3.71Å; F130-I1139 HydrophobicContact CZ-CG2 3.85Å; I134-I1139 HydrophobicContact CG2-CG2 4.22Å; I436-I1139 HydrophobicContact CB-CD1 4.35Å; I436-I1139 HydrophobicContact CD1-CD1 4.19Å; I436-I1139 HydrophobicContact CG1-CD1 4.06Å; I436-I1139 HydrophobicContact CG1-CG2 4.46Å; T1107-I1139 HydrophobicContact CG2-CG2 3.7Å; V1137-I1139 HydrophobicContact CG1-CB 4.5Å; V1137-I1139 HydrophobicContact CG1-CD1 3.62Å; V1137-I1139 HydrophobicContact CG1-CG1 3.86Å; V1137-I1139 PolarHBondContact O-N 2.87Å
1140P90.4Very high87.9Confident18 Ų1847 Ų4712%0.11724%0.237CC..  trans-80.3144.7176.133.9-32.9000110.6F130 A133 P1155F130-P1140 WeakPolarHBondContact CD2-O 3.29Å; F130-P1140 VanDerWaalsContact CE2-O 3.32Å; F130-P1140 WeakPolarHBondContact CE2-O 3.36Å; A133-P1140 HydrophobicContact CB-CB 4.4Å; A133-P1140 HydrophobicContact CB-CG 4.05Å; A133-P1140 WeakPolarHBondContact O-CG 3.45Å; P1140-P1155 HydrophobicContact CG-CB 4.31Å; P1140-P1155 HydrophobicContact CG-CG 4.36Å
1141T86.4Confident87.9Confident46 Ų4646.3 Ų46.328%0.28223%0.23SC..SBendtrans-83.9-28.4174.851.50000112.9T1107 H1110T1107-T1141 HydrophobicContact CG2-CG2 3.96Å; H1110-T1141 HydrophobicContact CB-CG2 4.04Å
1142Q88.6Confident87.7Confident74 Ų7449.8 Ų49.835%0.34625%0.245SC..SBendtrans-148.9165.9179-59.5-17324.400109.1H1110H1110-Q1142 VanDerWaalsContact NE2-CD 3.26Å; H1110-Q1142 PolarHBondContact NE2-NE2 3.34Å
1143L89.1Confident87.2Confident23 Ų2351 Ų5112%0.1225%0.247CC..  trans-76.7142171.6-65.4173.3000111L49 Y108 L132 A133 F1145 L1151L49-L1143 HydrophobicContact CD1-CD1 4.05Å; L49-L1143 HydrophobicContact CD2-CD1 3.76Å; Y108-L1143 HydrophobicContact CD2-CD1 3.81Å; Y108-L1143 HydrophobicContact CE2-CB 4.45Å; Y108-L1143 HydrophobicContact CE2-CD1 3.9Å; Y108-L1143 HydrophobicContact CE2-CG 4.34Å; Y108-L1143 HydrophobicContact CG-CD1 4.41Å; L132-L1143 HydrophobicContact CB-CD1 4.33Å; A133-L1143 HydrophobicContact CB-CD2 4.48Å; A133-L1143 HydrophobicContact CB-CG 4.5Å; L1143-F1145 HydrophobicContact CB-CE2 4.3Å; L1143-F1145 HydrophobicContact CB-CZ 3.94Å; L1143-L1151 HydrophobicContact CB-CD1 4.04Å; L1143-L1151 HydrophobicContact CD1-CD1 4.27Å; L1143-L1151 HydrophobicContact CD2-CD1 3.98Å; L1143-L1151 HydrophobicContact CG-CD1 4.32Å
1144E88.7Confident86.5Confident86 Ų8651.3 Ų51.340%0.40225%0.251SS..  trans-108.7150.5170.9-69.8-174.5-145.300111.1L1151 K1152 Q1154E1144-L1151 WeakPolarHBondContact O-CD1 3.35Å; E1144-K1152 HydrophobicContact CB-CB 4.09Å; E1144-K1152 HydrophobicContact CB-CD 3.75Å; E1144-K1152 WeakPolarHBondContact O-CB 3.36Å; E1144-K1152 PolarHBondContact O-N 3.26Å; E1144-K1152 VanDerWaalsContact OE2-CD 3.29Å; E1144-K1152 WeakPolarHBondContact OE2-CD 3.41Å; E1144-K1152 WeakPolarHBondContact OE2-CE 3.41Å; E1144-K1152 IonicContact OE2-NZ 2.83Å; E1144-K1152 PolarHBondContact OE2-NZ 2.39Å; E1144-Q1154 PolarHBondContact OE1-NE2 3.16Å; E1144-Q1154 PolarHBondContact OE1-OE1 3.36Å; E1144-Q1154 PolarHBondContact OE2-NE2 2.63Å
1145F88.9Confident86.2Confident40 Ų4051.7 Ų51.718%0.17525%0.253CS..BIsolated β-bridgetrans-120.2156.9-179.5-56.4-78.8000111.7D104 E105 Y108 L1143 S1150 L1151D104-F1145 HydrophobicContact CB-CD1 4.14Å; D104-F1145 HydrophobicContact CB-CE1 3.88Å; E105-F1145 HydrophobicContact CB-CB 4.27Å; E105-F1145 HydrophobicContact CB-CD1 3.82Å; E105-F1145 HydrophobicContact CB-CD2 3.97Å; E105-F1145 HydrophobicContact CB-CE1 4.21Å; E105-F1145 HydrophobicContact CB-CE2 4.35Å; E105-F1145 HydrophobicContact CB-CG 3.71Å; E105-F1145 HydrophobicContact CB-CZ 4.47Å; E105-F1145 HydrophobicContact CG-CD2 3.84Å; E105-F1145 HydrophobicContact CG-CE2 4.29Å; E105-F1145 HydrophobicContact CG-CG 4.03Å; Y108-F1145 AromaticContact CD1-CE2 3.56Å; Y108-F1145 HydrophobicContact CD1-CE2 3.56Å; Y108-F1145 AromaticContact CD1-CZ 3.56Å; Y108-F1145 HydrophobicContact CD1-CZ 3.56Å; Y108-F1145 HydrophobicContact CE1-CE2 4.06Å; Y108-F1145 HydrophobicContact CE1-CZ 4.3Å; Y108-F1145 HydrophobicContact CG-CE2 4.27Å; Y108-F1145 AromaticContact CG-CZ 3.78Å; Y108-F1145 HydrophobicContact CG-CZ 3.78Å; L1143-F1145 HydrophobicContact CB-CE2 4.3Å; L1143-F1145 HydrophobicContact CB-CZ 3.94Å; F1145-S1150 WeakPolarHBondContact CA-O 3.42Å; F1145-L1151 HydrophobicContact CD1-CD1 4.11Å; F1145-L1151 HydrophobicContact CE1-CD1 3.68Å; F1145-L1151 HydrophobicContact CZ-CD1 4.33Å
1146N85.8Confident86Confident66 Ų6654 Ų5435%0.35327%0.267SS..  trans-84.9169.7171-57.2-52000110.2D1148 G1149 S1150 L1151N1146-D1148 VanDerWaalsContact CB-OD1 3.3Å; N1146-D1148 WeakPolarHBondContact CB-OD1 3.47Å; N1146-D1148 PolarHBondContact O-N 3.02Å; N1146-D1148 VanDerWaalsContact O-N 3.08Å; N1146-G1149 PolarHBondContact O-N 3.41Å; N1146-S1150 PolarHBondContact N-O 3.27Å; N1146-S1150 PolarHBondContact ND2-O 3.14Å; N1146-S1150 PolarHBondContact ND2-OG 3.13Å; N1146-L1151 PolarHBondContact ND2-O 3.22Å
1147Q84.3Confident86Confident216 Ų21652.1 Ų52.1100%1.00926%0.261SS*.THydrogen-bonded Turntrans-64.4-12-179.9-67.4178.9-10.800114.8
1148D80.4Confident86Confident109 Ų10957.6 Ų57.658%0.58328%0.279SS*.THydrogen-bonded Turntrans-95.67.917363.80.6000113N1146 S1150N1146-D1148 VanDerWaalsContact CB-OD1 3.3Å; N1146-D1148 WeakPolarHBondContact CB-OD1 3.47Å; N1146-D1148 PolarHBondContact O-N 3.02Å; N1146-D1148 VanDerWaalsContact O-N 3.08Å; D1148-S1150 VanDerWaalsContact CG-OG 3.31Å; D1148-S1150 PolarHBondContact O-N 2.84Å; D1148-S1150 WeakPolarHBondContact OD1-CB 3.43Å; D1148-S1150 PolarHBondContact OD1-N 3.31Å; D1148-S1150 PolarHBondContact OD1-OG 3.19Å; D1148-S1150 PolarHBondContact OD2-OG 2.62Å
1149G78.9Confident86Confident4 Ų457.5 Ų57.54%0.04128%0.279CS..SBendtrans71.93.1-176.400000114.6T103 D104 E105 N1146T103-G1149 WeakPolarHBondContact CB-O 3.46Å; D104-G1149 PolarHBondContact N-O 2.87Å; D104-G1149 VanDerWaalsContact N-O 3.09Å; E105-G1149 PolarHBondContact N-O 3.32Å; N1146-G1149 PolarHBondContact O-N 3.41Å
1150S81.6Confident85.9Confident38 Ų3858.9 Ų58.927%0.26629%0.29SS..PPolyproline II helixtrans-74.3150.5173.369.80000111.2F1145 N1146 D1148 K1152F1145-S1150 WeakPolarHBondContact CA-O 3.42Å; N1146-S1150 PolarHBondContact N-O 3.27Å; N1146-S1150 PolarHBondContact ND2-O 3.14Å; N1146-S1150 PolarHBondContact ND2-OG 3.13Å; D1148-S1150 VanDerWaalsContact CG-OG 3.31Å; D1148-S1150 PolarHBondContact O-N 2.84Å; D1148-S1150 WeakPolarHBondContact OD1-CB 3.43Å; D1148-S1150 PolarHBondContact OD1-N 3.31Å; D1148-S1150 PolarHBondContact OD1-OG 3.19Å; D1148-S1150 PolarHBondContact OD2-OG 2.62Å; S1150-K1152 PolarHBondContact O-N 2.81Å
1151L82.9Confident85.5Confident31 Ų3161.6 Ų61.616%0.16230%0.303CS..BIsolated β-bridgetrans-62129.6179.1-172.466.6000111.6D104 L1143 E1144 F1145 N1146D104-L1151 HydrophobicContact CB-CB 4.11Å; D104-L1151 PolarHBondContact OD2-N 3.17Å; L1143-L1151 HydrophobicContact CB-CD1 4.04Å; L1143-L1151 HydrophobicContact CD1-CD1 4.27Å; L1143-L1151 HydrophobicContact CD2-CD1 3.98Å; L1143-L1151 HydrophobicContact CG-CD1 4.32Å; E1144-L1151 WeakPolarHBondContact O-CD1 3.35Å; F1145-L1151 HydrophobicContact CD1-CD1 4.11Å; F1145-L1151 HydrophobicContact CE1-CD1 3.68Å; F1145-L1151 HydrophobicContact CZ-CD1 4.33Å; N1146-L1151 PolarHBondContact ND2-O 3.22Å
1152K83.3Confident85.5Confident79 Ų7959.8 Ų59.834%0.34329%0.291SS..PPolyproline II helixtrans-71.2139.1176.4-168.4175.2-177.2178.50109.7E1144 S1150 Q1154E1144-K1152 HydrophobicContact CB-CB 4.09Å; E1144-K1152 HydrophobicContact CB-CD 3.75Å; E1144-K1152 WeakPolarHBondContact O-CB 3.36Å; E1144-K1152 PolarHBondContact O-N 3.26Å; E1144-K1152 VanDerWaalsContact OE2-CD 3.29Å; E1144-K1152 WeakPolarHBondContact OE2-CD 3.41Å; E1144-K1152 WeakPolarHBondContact OE2-CE 3.41Å; E1144-K1152 IonicContact OE2-NZ 2.83Å; E1144-K1152 PolarHBondContact OE2-NZ 2.39Å; S1150-K1152 PolarHBondContact O-N 2.81Å; K1152-Q1154 PolarHBondContact O-N 2.94Å
1153R74.1Confident85.3Confident111 Ų11156.2 Ų56.242%0.41928%0.275SS..  trans-67.795.5173.4-90.9-178.2159.9-156.7-7.9109.9Y39 G250Y39-R1153 PolarHBondContact OH-NH1 3.05Å; G250-R1153 PolarHBondContact O-NH2 3.35Å
1154Q76.6Confident85.1Confident49 Ų4957.5 Ų57.523%0.22928%0.28CS..  trans-148.1159.1177.5-92.2-171.6-8.900110.5P255 E1144 K1152P255-Q1154 VanDerWaalsContact CB-O 3.29Å; P255-Q1154 WeakPolarHBondContact CB-O 3.41Å; P255-Q1154 VanDerWaalsContact CG-O 3.24Å; P255-Q1154 WeakPolarHBondContact CG-O 3.35Å; E1144-Q1154 PolarHBondContact OE1-NE2 3.16Å; E1144-Q1154 PolarHBondContact OE1-OE1 3.36Å; E1144-Q1154 PolarHBondContact OE2-NE2 2.63Å; K1152-Q1154 PolarHBondContact O-N 2.94Å
1155P85.5Confident84.7Confident9 Ų958.1 Ų58.16%0.05828%0.281CS..  cis-75.9158.4-2.234.3-38.5000112.7L256 Y259 A1138 P1140L256-P1155 WeakPolarHBondContact O-CD 3.42Å; L256-P1155 WeakPolarHBondContact O-CG 3.16Å; Y259-P1155 PolarHBondContact OH-O 3.35Å; A1138-P1155 HydrophobicContact CB-CB 4.09Å; A1138-P1155 HydrophobicContact CB-CG 4.17Å; A1138-P1155 WeakPolarHBondContact O-CG 3.46Å; P1140-P1155 HydrophobicContact CG-CB 4.31Å; P1140-P1155 HydrophobicContact CG-CG 4.36Å
1156V90.7Very high84.5Confident49 Ų4957.4 Ų57.430%0.29728%0.279SS..  trans-136.5143172.2-56.70000108.7Y39Y39-V1156 HydrophobicContact CD1-CG1 4.33Å; Y39-V1156 HydrophobicContact CG-CG1 4.18Å
1157A93Very high84.4Confident3 Ų356 Ų563%0.02527%0.271CS..EExtended strand (participates in β ladder)trans-84.912816700000109.1I37 A38 V261 R1136I37-A1157 WeakPolarHBondContact CA-O 3.38Å; A38-A1157 PolarHBondContact N-O 2.86Å; A38-A1157 PolarHBondContact O-N 3.05Å; V261-A1157 HydrophobicContact CB-CB 3.68Å; V261-A1157 HydrophobicContact CG2-CB 3.41Å; V261-A1157 VanDerWaalsContact CG2-CB 3.41Å; R1136-A1157 HydrophobicContact CB-CB 3.86Å
1158R92.8Very high84.6Confident135 Ų13545.7 Ų45.751%0.50922%0.223SC..EExtended strand (participates in β ladder)trans-125.4128.3173.5179179.8-72.6158.1-6.4110.4N35 V36 I37 R1136N35-R1158 HydrophobicContact CB-CG 4.27Å; V36-R1158 WeakPolarHBondContact O-CA 3.29Å; I37-R1158 HydrophobicContact CG1-CG 4.22Å; R1136-R1158 PolarHBondContact NE-O 3.41Å; R1136-R1158 VanDerWaalsContact NE-O 3.1Å
1159F93.2Very high84.9Confident1 Ų141.2 Ų41.20%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-107127166.4-53.8-96.6000108N35 V36 V261 L263 F1134 R1136 L1162N35-F1159 VanDerWaalsContact CA-O 3.29Å; N35-F1159 WeakPolarHBondContact CA-O 3.4Å; N35-F1159 WeakPolarHBondContact CB-O 3.1Å; V36-F1159 HydrophobicContact CB-CB 4.26Å; V36-F1159 HydrophobicContact CB-CD2 4.25Å; V36-F1159 HydrophobicContact CG1-CD2 4.44Å; V36-F1159 PolarHBondContact N-O 3.18Å; V36-F1159 PolarHBondContact O-N 3.33Å; V261-F1159 HydrophobicContact CB-CE2 4.16Å; V261-F1159 HydrophobicContact CB-CZ 4.23Å; V261-F1159 HydrophobicContact CG1-CE2 3.78Å; V261-F1159 HydrophobicContact CG1-CZ 4.07Å; L263-F1159 HydrophobicContact CB-CD1 4.09Å; L263-F1159 HydrophobicContact CB-CD2 4.49Å; L263-F1159 HydrophobicContact CB-CE1 3.73Å; L263-F1159 HydrophobicContact CB-CE2 4.19Å; L263-F1159 HydrophobicContact CB-CG 4.45Å; L263-F1159 HydrophobicContact CB-CZ 3.79Å; L263-F1159 HydrophobicContact CD2-CB 4.22Å; L263-F1159 HydrophobicContact CD2-CD1 4.14Å; L263-F1159 HydrophobicContact CD2-CD2 4.39Å; L263-F1159 HydrophobicContact CD2-CG 4.01Å; F1134-F1159 HydrophobicContact CB-CD1 3.82Å; F1134-F1159 HydrophobicContact CB-CE1 3.65Å; R1136-F1159 HydrophobicContact CB-CE1 4.26Å; R1136-F1159 HydrophobicContact CB-CE2 4.43Å; R1136-F1159 HydrophobicContact CB-CZ 3.99Å; R1136-F1159 HydrophobicContact CG-CD1 3.83Å; R1136-F1159 HydrophobicContact CG-CD2 4.41Å; R1136-F1159 HydrophobicContact CG-CE1 3.53Å; R1136-F1159 HydrophobicContact CG-CE2 4.14Å; R1136-F1159 HydrophobicContact CG-CG 4.26Å; R1136-F1159 HydrophobicContact CG-CZ 3.7Å; F1159-L1162 HydrophobicContact CB-CD1 3.84Å; F1159-L1162 HydrophobicContact CB-CD2 4.28Å; F1159-L1162 HydrophobicContact CB-CG 4.24Å
1160S87.9Confident85.4Confident49 Ų4941.4 Ų41.434%0.34320%0.199SC..  trans-134.7153.1-17854.80000107.6N35N35-S1160 VanDerWaalsContact OD1-CB 3.31Å; N35-S1160 WeakPolarHBondContact OD1-CB 3.14Å
1161I83.1Confident85.8Confident76 Ų7643.6 Ų43.639%0.3921%0.208SC..SBendtrans59.466-173.4-42.2172.4000110.2L371L371-I1161 VanDerWaalsContact CD1-O 3.29Å; L371-I1161 WeakPolarHBondContact CD1-O 3.31Å
1162L86.6Confident86.2Confident7 Ų743.1 Ų43.14%0.03721%0.206CC..  trans-108142.2177.4-71.6172.8000111.1V36 L263 F1134 F1159 Q1164 M1194V36-L1162 HydrophobicContact CB-CD1 4.21Å; V36-L1162 HydrophobicContact CG2-CD1 3.56Å; L263-L1162 HydrophobicContact CD2-CD1 3.64Å; L263-L1162 HydrophobicContact CD2-CD2 3.84Å; L263-L1162 HydrophobicContact CD2-CG 4.42Å; F1134-L1162 HydrophobicContact CD2-CD2 4.32Å; F1134-L1162 HydrophobicContact CE2-CD2 4.27Å; F1134-L1162 HydrophobicContact CZ-CD2 4.49Å; F1159-L1162 HydrophobicContact CB-CD1 3.84Å; F1159-L1162 HydrophobicContact CB-CD2 4.28Å; F1159-L1162 HydrophobicContact CB-CG 4.24Å; L1162-Q1164 PolarHBondContact O-NE2 3.15Å; L1162-M1194 HydrophobicContact CB-CG 4.03Å; L1162-M1194 HydrophobicContact CD1-CE 4.49Å; L1162-M1194 HydrophobicContact CD1-CG 4.33Å; L1162-M1194 HydrophobicContact CD1-SD 4.08Å
1163P84.5Confident86.6Confident0 Ų041.9 Ų41.90%020%0.203CC..  trans-53.4135.8172.5-26.633.1000112.8A328 L331 L371 Q1166 F1168A328-P1163 WeakPolarHBondContact O-CA 3.43Å; L331-P1163 HydrophobicContact CD1-CG 4.36Å; L331-P1163 HydrophobicContact CD2-CG 3.72Å; L331-P1163 HydrophobicContact CG-CB 4.4Å; L331-P1163 HydrophobicContact CG-CG 3.8Å; L371-P1163 HydrophobicContact CD2-CG 3.95Å; P1163-Q1166 HydrophobicContact CB-CB 4.13Å; P1163-F1168 HydrophobicContact CB-CZ 4.38Å; P1163-F1168 HydrophobicContact CG-CZ 4.42Å
1164Q83.3Confident87.3Confident50 Ų5037.6 Ų37.623%0.23419%0.191CC..SBendtrans-78.4-31.9-171.6-64.1-56.4-64.900114.3D329 L1162 S1195D329-Q1164 PolarHBondContact O-N 2.85Å; D329-Q1164 VanDerWaalsContact O-N 3.13Å; L1162-Q1164 PolarHBondContact O-NE2 3.15Å; Q1164-S1195 WeakPolarHBondContact O-CB 3.41Å; Q1164-S1195 PolarHBondContact O-N 3.47Å; Q1164-S1195 PolarHBondContact O-OG 3.39Å
1165K82Confident88Confident99 Ų9935.9 Ų35.943%0.4318%0.184SC..SBendtrans-93.5-17.9-173.9-62.4173.8-162.1152.90114.3D329 E330D329-K1165 PolarHBondContact O-N 3.1Å; D329-K1165 VanDerWaalsContact O-N 3.15Å; D329-K1165 WeakPolarHBondContact OD2-CE 3.24Å; D329-K1165 IonicContact OD2-NZ 3.09Å; D329-K1165 PolarHBondContact OD2-NZ 2.96Å; E330-K1165 HydrophobicContact CB-CD 4.27Å; E330-K1165 HydrophobicContact CG-CB 4.48Å; E330-K1165 WeakPolarHBondContact OE2-CD 3.17Å
1166Q83.9Confident88Confident25 Ų2537.4 Ų37.412%0.11719%0.191CC..  trans-75143.1-175-176.255.859.900112I265 K266 P1163 F1168I265-Q1166 HydrophobicContact CG2-CG 4Å; K266-Q1166 PolarHBondContact O-NE2 3.43Å; K266-Q1166 VanDerWaalsContact O-NE2 3.16Å; P1163-Q1166 HydrophobicContact CB-CB 4.13Å; Q1166-F1168 HydrophobicContact CB-CE1 4.09Å; Q1166-F1168 HydrophobicContact CB-CE2 4.06Å; Q1166-F1168 HydrophobicContact CB-CZ 3.62Å; Q1166-F1168 HydrophobicContact CG-CD1 4.21Å; Q1166-F1168 HydrophobicContact CG-CE1 3.61Å; Q1166-F1168 HydrophobicContact CG-CE2 4.37Å; Q1166-F1168 HydrophobicContact CG-CZ 3.71Å; Q1166-F1168 WeakPolarHBondContact O-CD2 3.21Å; Q1166-F1168 WeakPolarHBondContact O-CE2 3.28Å
1167L84.7Confident87.8Confident36 Ų3635.2 Ų35.219%0.18818%0.177CC..EExtended strand (participates in β ladder)trans-88.4134.8171.5-80.9157.4000110.9K266 K1193K266-L1167 HydrophobicContact CB-CB 4.04Å; K266-L1167 PolarHBondContact N-O 2.88Å; L1167-K1193 HydrophobicContact CD2-CB 4.03Å; L1167-K1193 HydrophobicContact CD2-CD 4.33Å; L1167-K1193 HydrophobicContact CG-CD 4.38Å
1168F87.6Confident87.8Confident0 Ų035.1 Ų35.10%018%0.176CC..EExtended strand (participates in β ladder)trans-129.3149.9-178.4-51.8-76.9000113.1L263 A264 I265 F1134 P1163 Q1166 D1190 I1192 M1194L263-F1168 HydrophobicContact CD1-CB 3.61Å; L263-F1168 HydrophobicContact CD1-CG 4.33Å; L263-F1168 HydrophobicContact CD2-CB 4.43Å; L263-F1168 HydrophobicContact CD2-CD1 4.41Å; L263-F1168 HydrophobicContact CD2-CG 4.28Å; L263-F1168 HydrophobicContact CG-CB 3.84Å; L263-F1168 HydrophobicContact CG-CD1 4.21Å; L263-F1168 HydrophobicContact CG-CG 4.11Å; A264-F1168 CarbonylContact O-C 3.53Å; A264-F1168 VanDerWaalsContact O-CA 3.23Å; A264-F1168 WeakPolarHBondContact O-CA 3.15Å; I265-F1168 HydrophobicContact CG1-CD1 4.15Å; I265-F1168 HydrophobicContact CG1-CE1 4.02Å; F1134-F1168 HydrophobicContact CD2-CE1 4.49Å; F1134-F1168 AromaticContact CE2-CE1 3.9Å; F1134-F1168 HydrophobicContact CE2-CE1 3.9Å; P1163-F1168 HydrophobicContact CB-CZ 4.38Å; P1163-F1168 HydrophobicContact CG-CZ 4.42Å; Q1166-F1168 HydrophobicContact CB-CE1 4.09Å; Q1166-F1168 HydrophobicContact CB-CE2 4.06Å; Q1166-F1168 HydrophobicContact CB-CZ 3.62Å; Q1166-F1168 HydrophobicContact CG-CD1 4.21Å; Q1166-F1168 HydrophobicContact CG-CE1 3.61Å; Q1166-F1168 HydrophobicContact CG-CE2 4.37Å; Q1166-F1168 HydrophobicContact CG-CZ 3.71Å; Q1166-F1168 WeakPolarHBondContact O-CD2 3.21Å; Q1166-F1168 WeakPolarHBondContact O-CE2 3.28Å; F1168-D1190 CarbonylContact O-C 3.42Å; F1168-I1192 HydrophobicContact CB-CB 4.36Å; F1168-I1192 PolarHBondContact N-O 3.4Å; F1168-I1192 PolarHBondContact O-N 3.27Å; F1168-M1194 HydrophobicContact CE2-CG 4.18Å
1169T86.4Confident87.7Confident14 Ų1428.9 Ų28.99%0.08615%0.153CC..EExtended strand (participates in β ladder)trans-118.5121.2173.5-60.40000108.9A264 D1190 H1376A264-T1169 PolarHBondContact N-O 3.1Å; A264-T1169 PolarHBondContact O-N 2.91Å; T1169-D1190 PolarHBondContact OG1-O 2.84Å; T1169-H1376 PolarHBondContact OG1-CE1 2.89Å
1170L90.3Very high87.6Confident8 Ų830.3 Ų30.34%0.04216%0.162CC..EExtended strand (participates in β ladder)trans-92.1130.3178.7-175145000111.4V36 A38 V261 E262 L263 V1172 L1189 I1192 F1205V36-L1170 HydrophobicContact CG1-CD1 3.43Å; V36-L1170 VanDerWaalsContact CG1-CD1 3.43Å; A38-L1170 HydrophobicContact CB-CD1 3.95Å; A38-L1170 HydrophobicContact CB-CD2 4.11Å; V261-L1170 HydrophobicContact CG1-CD1 3.96Å; V261-L1170 HydrophobicContact CG1-CD2 4.08Å; V261-L1170 HydrophobicContact CG1-CG 3.81Å; E262-L1170 WeakPolarHBondContact O-CA 3.33Å; L263-L1170 HydrophobicContact CD1-CB 4Å; L263-L1170 HydrophobicContact CD1-CD1 4.43Å; L1170-V1172 HydrophobicContact CD2-CG2 4.49Å; L1170-L1189 HydrophobicContact CB-CB 4.47Å; L1170-L1189 HydrophobicContact CD2-CD1 4.49Å; L1170-L1189 PolarHBondContact N-O 3.19Å; L1170-I1192 HydrophobicContact CB-CD1 3.75Å; L1170-I1192 HydrophobicContact CD1-CD1 4.42Å; L1170-F1205 HydrophobicContact CD2-CE2 3.65Å; L1170-F1205 HydrophobicContact CD2-CZ 3.61Å
1171N89.4Confident87.7Confident84 Ų8429.2 Ų29.245%0.44915%0.151SC..EExtended strand (participates in β ladder)trans-135.5146.9-179.5-175.128.8000111.3V261 E262V261-N1171 WeakPolarHBondContact CA-O 3.15Å; V261-N1171 WeakPolarHBondContact CG1-O 3.32Å; E262-N1171 HydrophobicContact CB-CB 4.36Å; E262-N1171 PolarHBondContact N-O 2.9Å; E262-N1171 PolarHBondContact O-N 2.97Å
1172V91.5Very high87.9Confident21 Ų2126.4 Ų26.413%0.12714%0.14CC..EExtended strand (participates in β ladder)trans-109.6110.4178.6179.90000110.1V40 Y259 V261 L1170 A1174 F1205V40-V1172 HydrophobicContact CG2-CG1 3.8Å; Y259-V1172 HydrophobicContact CD2-CG1 4.02Å; Y259-V1172 HydrophobicContact CG-CG1 4.31Å; V261-V1172 HydrophobicContact CG2-CG2 4.31Å; L1170-V1172 HydrophobicContact CD2-CG2 4.49Å; V1172-A1174 HydrophobicContact CG1-CB 4.38Å; V1172-A1174 PolarHBondContact O-N 3.01Å; V1172-A1174 VanDerWaalsContact O-N 3.14Å; V1172-F1205 HydrophobicContact CB-CD1 4.37Å; V1172-F1205 HydrophobicContact CB-CE1 4.36Å; V1172-F1205 HydrophobicContact CG2-CD1 3.74Å; V1172-F1205 HydrophobicContact CG2-CD2 3.74Å; V1172-F1205 HydrophobicContact CG2-CE1 3.61Å; V1172-F1205 HydrophobicContact CG2-CE2 3.62Å; V1172-F1205 HydrophobicContact CG2-CG 3.81Å; V1172-F1205 HydrophobicContact CG2-CZ 3.56Å
1173I90.7Very high88Confident53 Ų5328 Ų2827%0.27215%0.15SC..EExtended strand (participates in β ladder)trans-84.881.9173.2-49.8177.8000107.8Y259 S260 E262 L1135Y259-I1173 WeakPolarHBondContact CA-O 3.32Å; S260-I1173 PolarHBondContact N-O 2.93Å; S260-I1173 PolarHBondContact O-N 2.91Å; E262-I1173 HydrophobicContact CB-CD1 4.2Å; E262-I1173 HydrophobicContact CB-CG1 4.48Å; L1135-I1173 HydrophobicContact CD1-CD1 4.07Å
1174A90.5Very high88Confident21 Ų2132.8 Ų32.817%0.17417%0.172CC..  trans-82.5158.2173.300000111.9V1172 W1178 V1180V1172-A1174 HydrophobicContact CG1-CB 4.38Å; V1172-A1174 PolarHBondContact O-N 3.01Å; V1172-A1174 VanDerWaalsContact O-N 3.14Å; A1174-W1178 HydrophobicContact CB-CB 4.21Å; A1174-W1178 HydrophobicContact CB-CE3 4.16Å; A1174-V1180 HydrophobicContact CB-CB 4.36Å; A1174-V1180 HydrophobicContact CB-CG2 3.62Å
1175P89.6Confident88Confident14 Ų1431.8 Ų31.89%0.09117%0.172CC..  trans-47.9148.5171.8-29.235.8000113.3D435 F437 S1177 W1178D435-P1175 HydrophobicContact CB-CB 4.29Å; F437-P1175 HydrophobicContact CE2-CG 4.46Å; P1175-S1177 VanDerWaalsContact C-N 3.25Å; P1175-S1177 PolarHBondContact O-N 3.46Å; P1175-W1178 HydrophobicContact CB-CD2 4.36Å; P1175-W1178 HydrophobicContact CB-CG 4.18Å; P1175-W1178 HydrophobicContact CG-CD2 4.1Å; P1175-W1178 HydrophobicContact CG-CG 4.43Å; P1175-W1178 HydrophobicContact CG-CZ2 4.26Å; P1175-W1178 WeakPolarHBondContact O-CB 3.44Å; P1175-W1178 PolarHBondContact O-N 2.85Å
1176H86.3Confident87.8Confident41 Ų4130.6 Ų30.619%0.1918%0.181CC..THydrogen-bonded Turntrans-58.4-38.8-173.5-167.393.1000112.7W1178 L1211 K1445 W1446 R1448H1176-W1178 PolarHBondContact O-N 2.74Å; H1176-W1178 VanDerWaalsContact O-N 3.08Å; H1176-L1211 WeakPolarHBondContact O-CD1 3.11Å; H1176-K1445 WeakPolarHBondContact O-CE 3.3Å; H1176-K1445 PolarHBondContact O-NZ 3.32Å; H1176-W1446 PolarHBondContact CE1-O 2.89Å; H1176-W1446 PolarHBondContact NE2-O 2.94Å; H1176-R1448 WeakPolarHBondContact NE2-CG 3.35Å
1177S87.3Confident87.6Confident2 Ų232 Ų321%0.01419%0.186CC..THydrogen-bonded Turntrans-62.6-9177.250.30000115.1P1175 L1210 L1211 F1297 G1298P1175-S1177 VanDerWaalsContact C-N 3.25Å; P1175-S1177 PolarHBondContact O-N 3.46Å; S1177-L1210 CarbonylContact O-C 3.57Å; S1177-L1210 WeakPolarHBondContact O-CA 3.49Å; S1177-L1211 PolarHBondContact O-N 3.39Å; S1177-F1297 PolarHBondContact OG-O 3.4Å; S1177-G1298 WeakPolarHBondContact CB-O 3.33Å
1178W91.4Very high87.2Confident1 Ų132 Ų320%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-102.2135.6-173.7-68.219.2000112V40 L256 S257 F437 A1174 P1175 H1176 V1180 L1207 L1210 F1297 K1445V40-W1178 HydrophobicContact CG1-CZ3 4.46Å; L256-W1178 HydrophobicContact CB-CH2 3.9Å; L256-W1178 HydrophobicContact CB-CZ3 3.99Å; L256-W1178 HydrophobicContact CD1-CH2 3.99Å; L256-W1178 HydrophobicContact CD1-CZ3 3.84Å; L256-W1178 HydrophobicContact CG-CH2 4.44Å; S257-W1178 VanDerWaalsContact O-CH2 3.23Å; S257-W1178 WeakPolarHBondContact O-CH2 3.49Å; F437-W1178 AromaticContact CE2-CZ2 3.76Å; F437-W1178 HydrophobicContact CE2-CZ2 3.76Å; F437-W1178 HydrophobicContact CZ-CH2 4.38Å; F437-W1178 AromaticContact CZ-CZ2 3.91Å; F437-W1178 HydrophobicContact CZ-CZ2 3.91Å; A1174-W1178 HydrophobicContact CB-CB 4.21Å; A1174-W1178 HydrophobicContact CB-CE3 4.16Å; P1175-W1178 HydrophobicContact CB-CD2 4.36Å; P1175-W1178 HydrophobicContact CB-CG 4.18Å; P1175-W1178 HydrophobicContact CG-CD2 4.1Å; P1175-W1178 HydrophobicContact CG-CG 4.43Å; P1175-W1178 HydrophobicContact CG-CZ2 4.26Å; P1175-W1178 WeakPolarHBondContact O-CB 3.44Å; P1175-W1178 PolarHBondContact O-N 2.85Å; H1176-W1178 PolarHBondContact O-N 2.74Å; H1176-W1178 VanDerWaalsContact O-N 3.08Å; W1178-V1180 HydrophobicContact CB-CG2 3.98Å; W1178-V1180 HydrophobicContact CE3-CG2 3.99Å; W1178-L1207 HydrophobicContact CB-CD1 3.56Å; W1178-L1207 HydrophobicContact CD2-CD1 3.84Å; W1178-L1207 HydrophobicContact CD2-CD2 4.09Å; W1178-L1207 HydrophobicContact CE3-CD1 4.11Å; W1178-L1207 HydrophobicContact CE3-CD2 4.3Å; W1178-L1207 HydrophobicContact CG-CD1 3.59Å; W1178-L1207 HydrophobicContact CG-CD2 4.47Å; W1178-L1210 VanDerWaalsContact CD1-CD2 3.48Å; W1178-L1210 HydrophobicContact CG-CD2 4.33Å; W1178-F1297 AromaticContact CE2-CD1 3.72Å; W1178-F1297 HydrophobicContact CH2-CD1 4.28Å; W1178-F1297 HydrophobicContact CH2-CE1 4.4Å; W1178-F1297 HydrophobicContact CZ2-CB 3.98Å; W1178-F1297 AromaticContact CZ2-CD1 3.35Å; W1178-F1297 HydrophobicContact CZ2-CD1 3.35Å; W1178-F1297 HydrophobicContact CZ2-CD2 4.47Å; W1178-F1297 AromaticContact CZ2-CE1 3.88Å; W1178-F1297 HydrophobicContact CZ2-CE1 3.88Å; W1178-F1297 AromaticContact CZ2-CG 3.71Å; W1178-F1297 HydrophobicContact CZ2-CG 3.71Å; W1178-F1297 AromaticContact NE1-CD1 3.79Å; W1178-F1297 PolarHBondContact NE1-O 3.45Å; W1178-K1445 PolarHBondContact O-NZ 2.84Å
1179L91.7Very high87.1Confident5 Ų532.8 Ų32.83%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-102108.4161-72170.2000108.3E1208 H1209 L1211 K1255 K1445L1179-E1208 PolarHBondContact O-N 3.13Å; L1179-H1209 HydrophobicContact CB-CB 4.19Å; L1179-H1209 HydrophobicContact CD1-CB 4.06Å; L1179-H1209 PolarHBondContact N-O 3.39Å; L1179-L1211 HydrophobicContact CD1-CD2 3.8Å; L1179-L1211 HydrophobicContact CG-CD2 4.01Å; L1179-K1255 HydrophobicContact CD1-CD 4.46Å; L1179-K1255 HydrophobicContact CD1-CG 3.92Å; L1179-K1445 HydrophobicContact CD2-CB 4.18Å; L1179-K1445 HydrophobicContact CD2-CD 4.02Å
1180V91.9Very high86.7Confident31 Ų3132.5 Ų32.519%0.18819%0.187CC..EExtended strand (participates in β ladder)trans-115.1134.7-177.4-179.60000109.3V40 A1174 W1178 F1205 E1206 L1207V40-V1180 HydrophobicContact CG1-CG1 3.92Å; V40-V1180 HydrophobicContact CG1-CG2 4.29Å; V40-V1180 HydrophobicContact CG2-CG1 4.23Å; A1174-V1180 HydrophobicContact CB-CB 4.36Å; A1174-V1180 HydrophobicContact CB-CG2 3.62Å; W1178-V1180 HydrophobicContact CB-CG2 3.98Å; W1178-V1180 HydrophobicContact CE3-CG2 3.99Å; V1180-F1205 HydrophobicContact CG1-CB 3.8Å; V1180-F1205 HydrophobicContact CG1-CD1 4.15Å; V1180-F1205 HydrophobicContact CG1-CG 4.42Å; V1180-E1206 VanDerWaalsContact CA-O 3.31Å; V1180-E1206 WeakPolarHBondContact CA-O 3.43Å; V1180-L1207 HydrophobicContact CG2-CD1 4.29Å
1181E88.8Confident86.1Confident26 Ų2634 Ų3412%0.12120%0.195CC..EExtended strand (participates in β ladder)trans-125.3156.2174.269.7172.5144.100111.9T1183 F1205 E1206 K1417 K1425E1181-T1183 HydrophobicContact CG-CG2 3.98Å; E1181-F1205 CarbonylContact O-C 3.56Å; E1181-F1205 WeakPolarHBondContact O-CA 3.26Å; E1181-E1206 PolarHBondContact N-O 3.36Å; E1181-E1206 PolarHBondContact O-N 3.14Å; E1181-K1417 WeakPolarHBondContact OE1-CE 3.43Å; E1181-K1417 IonicContact OE1-NZ 3.59Å; E1181-K1417 PolarHBondContact OE1-NZ 2.9Å; E1181-K1417 WeakPolarHBondContact OE2-CE 3.31Å; E1181-K1417 IonicContact OE2-NZ 2.7Å; E1181-K1417 PolarHBondContact OE2-NZ 3.34Å; E1181-K1425 IonicContact OE2-NZ 2Å; E1181-K1425 PolarHBondContact OE2-NZ 2.97Å
1182A88.5Confident85.8Confident17 Ų1730.2 Ų30.214%0.1418%0.175CC..EExtended strand (participates in β ladder)trans-73.3129.4164.400000109.8L1189 F1205 P1422 K1425A1182-L1189 HydrophobicContact CB-CD1 4.26Å; A1182-F1205 HydrophobicContact CB-CD1 4.02Å; A1182-F1205 HydrophobicContact CB-CE1 3.78Å; A1182-F1205 HydrophobicContact CB-CZ 4.22Å; A1182-P1422 HydrophobicContact CB-CG 3.95Å; A1182-K1425 PolarHBondContact O-NZ 3.43Å
1183T86.8Confident85.5Confident41 Ų4132 Ų3225%0.25218%0.181SC..EExtended strand (participates in β ladder)trans-112.3-32.7-178.749.60000113.4E1181 I1204 E1206E1181-T1183 HydrophobicContact CG-CG2 3.98Å; T1183-I1204 PolarHBondContact N-O 3.47Å; T1183-I1204 PolarHBondContact OG1-O 2.86Å; T1183-E1206 HydrophobicContact CG2-CB 3.48Å; T1183-E1206 VanDerWaalsContact CG2-CB 3.48Å
1184E85.7Confident85.3Confident99 Ų9929.4 Ų29.446%0.46317%0.168SC..EExtended strand (participates in β ladder)trans-140.5129174.4-57.6172.4-15800109.5I1204E1184-I1204 HydrophobicContact CB-CB 4.06Å; E1184-I1204 HydrophobicContact CB-CD1 4.06Å; E1184-I1204 HydrophobicContact CB-CG1 4.32Å; E1184-I1204 PolarHBondContact N-O 3.18Å; E1184-I1204 PolarHBondContact O-N 3.2Å
1185A82.2Confident84.9Confident30 Ų3030.8 Ų30.825%0.24818%0.176CC..EExtended strand (participates in β ladder)trans-154.5136.7171.200000108.3L1189 P1422A1185-L1189 HydrophobicContact CB-CD1 4Å; A1185-L1189 HydrophobicContact CB-CD2 4.21Å; A1185-L1189 HydrophobicContact CB-CG 3.96Å; A1185-P1422 HydrophobicContact CB-CG 4.06Å
1186A78.2Confident84.5Confident73 Ų7334.8 Ų34.860%0.60320%0.197SC*.SBendtrans-89.1-28.3178.800000113.1
1187Y80.7Confident84.3Confident56 Ų5633 Ų3322%0.2219%0.189CC..SBendtrans-113.4157.5177.3-54.4-85.9000109.4L1189 A1197 F1198 T1199 V1201Y1187-L1189 PolarHBondContact O-N 3.39Å; Y1187-A1197 HydrophobicContact CD1-CB 4.45Å; Y1187-A1197 HydrophobicContact CE1-CB 3.93Å; Y1187-A1197 HydrophobicContact CE2-CB 4.43Å; Y1187-F1198 PolarHBondContact OH-N 3.24Å; Y1187-T1199 PolarHBondContact OH-N 2.64Å; Y1187-T1199 VanDerWaalsContact OH-N 3.15Å; Y1187-T1199 PolarHBondContact OH-OG1 3.14Å; Y1187-V1201 HydrophobicContact CD2-CB 4.19Å; Y1187-V1201 HydrophobicContact CD2-CG1 4.04Å; Y1187-V1201 HydrophobicContact CD2-CG2 3.89Å; Y1187-V1201 HydrophobicContact CE2-CG2 4.1Å; Y1187-V1201 HydrophobicContact CG-CG1 4.48Å; Y1187-V1201 HydrophobicContact CG-CG2 4.37Å
1188D76.5Confident84.1Confident35 Ų3541.2 Ų41.219%0.18723%0.225CC..  trans-66.1122.4171.3-1743.5000110.5D1190 N1191 I1192D1188-D1190 VanDerWaalsContact C-N 3.28Å; D1188-D1190 PolarHBondContact O-N 3.3Å; D1188-D1190 PolarHBondContact OD1-N 2.85Å; D1188-N1191 PolarHBondContact OD2-ND2 3.32Å; D1188-I1192 VanDerWaalsContact O-CG1 3.31Å; D1188-I1192 WeakPolarHBondContact O-CG1 3.48Å
1189L83.7Confident83.8Confident16 Ų1645.2 Ų45.28%0.08425%0.25CC..THydrogen-bonded Turntrans-76.2-16.1-179.4-60.5-179.8000112.6L1170 A1182 A1185 Y1187 I1192 F1205L1170-L1189 HydrophobicContact CB-CB 4.47Å; L1170-L1189 HydrophobicContact CD2-CD1 4.49Å; L1170-L1189 PolarHBondContact N-O 3.19Å; A1182-L1189 HydrophobicContact CB-CD1 4.26Å; A1185-L1189 HydrophobicContact CB-CD1 4Å; A1185-L1189 HydrophobicContact CB-CD2 4.21Å; A1185-L1189 HydrophobicContact CB-CG 3.96Å; Y1187-L1189 PolarHBondContact O-N 3.39Å; L1189-I1192 HydrophobicContact CD2-CD1 4.32Å; L1189-F1205 HydrophobicContact CD1-CE2 4Å; L1189-F1205 HydrophobicContact CD1-CZ 3.69Å
1190D78.8Confident83.7Confident8 Ų847.8 Ų47.84%0.04326%0.263CS..THydrogen-bonded Turntrans-84.1-21.1178-83.8-6.9000114F1168 T1169 D1188 G1375 K1456F1168-D1190 CarbonylContact O-C 3.42Å; T1169-D1190 PolarHBondContact OG1-O 2.84Å; D1188-D1190 VanDerWaalsContact C-N 3.28Å; D1188-D1190 PolarHBondContact O-N 3.3Å; D1188-D1190 PolarHBondContact OD1-N 2.85Å; D1190-G1375 VanDerWaalsContact OD2-CA 3.28Å; D1190-G1375 WeakPolarHBondContact OD2-CA 3.29Å; D1190-G1375 PolarHBondContact OD2-N 2.9Å; D1190-K1456 IonicContact OD1-NZ 2.91Å; D1190-K1456 PolarHBondContact OD1-NZ 3.35Å; D1190-K1456 IonicContact OD2-NZ 3.93Å; D1190-K1456 PolarHBondContact OD2-NZ 2.99Å
1191N77.4Confident83.6Confident39 Ų3946.3 Ų46.321%0.20926%0.255CS..SBendtrans-136.148.2-170.5-52.7-59.6000111.7K266 D1188 K1193 G1375 E1379K266-N1191 PolarHBondContact NZ-OD1 3.36Å; D1188-N1191 PolarHBondContact OD2-ND2 3.32Å; N1191-K1193 PolarHBondContact O-N 2.77Å; N1191-G1375 PolarHBondContact ND2-O 2.82Å; N1191-E1379 PolarHBondContact OD1-OE1 3.45Å
1192I84.4Confident83.7Confident5 Ų547.7 Ų47.73%0.02627%0.265CS..EExtended strand (participates in β ladder)trans-71.8127-179-57.3170.9000109.6V36 L263 F1168 L1170 D1188 L1189 M1194 V1201V36-I1192 HydrophobicContact CG1-CD1 4.14Å; V36-I1192 HydrophobicContact CG2-CG2 4.18Å; L263-I1192 HydrophobicContact CD1-CD1 4.19Å; F1168-I1192 HydrophobicContact CB-CB 4.36Å; F1168-I1192 PolarHBondContact N-O 3.4Å; F1168-I1192 PolarHBondContact O-N 3.27Å; L1170-I1192 HydrophobicContact CB-CD1 3.75Å; L1170-I1192 HydrophobicContact CD1-CD1 4.42Å; D1188-I1192 VanDerWaalsContact O-CG1 3.31Å; D1188-I1192 WeakPolarHBondContact O-CG1 3.48Å; L1189-I1192 HydrophobicContact CD2-CD1 4.32Å; I1192-M1194 HydrophobicContact CG2-SD 3.92Å; I1192-V1201 HydrophobicContact CD1-CG1 3.99Å; I1192-V1201 HydrophobicContact CG1-CG1 4.24Å; I1192-V1201 HydrophobicContact CG2-CG1 4.23Å; I1192-V1201 HydrophobicContact CG2-CG2 4.2Å
1193K84.9Confident83.8Confident58 Ų5846.9 Ų46.925%0.25226%0.258SS..EExtended strand (participates in β ladder)trans-133119.5172.6178.1163.4161.7-65.70109.8L1167 N1191 S1195 D1196 A1197L1167-K1193 HydrophobicContact CD2-CB 4.03Å; L1167-K1193 HydrophobicContact CD2-CD 4.33Å; L1167-K1193 HydrophobicContact CG-CD 4.38Å; N1191-K1193 PolarHBondContact O-N 2.77Å; K1193-S1195 VanDerWaalsContact C-N 3.31Å; K1193-S1195 WeakPolarHBondContact CE-OG 3.2Å; K1193-S1195 WeakPolarHBondContact CG-OG 3.03Å; K1193-S1195 PolarHBondContact NZ-OG 2.87Å; K1193-S1195 PolarHBondContact O-N 3.02Å; K1193-D1196 VanDerWaalsContact CD-OD2 3.23Å; K1193-D1196 WeakPolarHBondContact CD-OD2 3.43Å; K1193-D1196 WeakPolarHBondContact CG-OD2 3.21Å; K1193-D1196 IonicContact NZ-OD1 2.78Å; K1193-D1196 PolarHBondContact NZ-OD1 3.41Å; K1193-D1196 IonicContact NZ-OD2 2.84Å; K1193-D1196 PolarHBondContact NZ-OD2 2.78Å; K1193-D1196 PolarHBondContact O-N 2.81Å; K1193-D1196 VanDerWaalsContact O-N 3.09Å; K1193-A1197 PolarHBondContact O-N 2.96Å
1194M85.5Confident84.1Confident0 Ų045.8 Ų45.80%025%0.25CS..THydrogen-bonded Turntrans-71.7-23.7-165.4-60.4-55.3-61.600113.9K34 V36 L1162 F1168 I1192 D1196K34-M1194 HydrophobicContact CB-CE 3.62Å; K34-M1194 WeakPolarHBondContact CD-O 3.32Å; K34-M1194 PolarHBondContact NZ-O 2.91Å; K34-M1194 WeakPolarHBondContact O-CE 3.2Å; V36-M1194 HydrophobicContact CG2-CE 4.04Å; V36-M1194 HydrophobicContact CG2-SD 3.5Å; V36-M1194 WeakPolarHBondContact CG2-SD 3.45Å; L1162-M1194 HydrophobicContact CB-CG 4.03Å; L1162-M1194 HydrophobicContact CD1-CE 4.49Å; L1162-M1194 HydrophobicContact CD1-CG 4.33Å; L1162-M1194 HydrophobicContact CD1-SD 4.08Å; F1168-M1194 HydrophobicContact CE2-CG 4.18Å; I1192-M1194 HydrophobicContact CG2-SD 3.92Å; M1194-D1196 VanDerWaalsContact C-N 3.31Å
1195S83.4Confident84.4Confident49 Ų4942 Ų4234%0.34323%0.232SC..THydrogen-bonded Turntrans-60.5-40169.527.20000112.1K34 Q1164 K1193K34-S1195 PolarHBondContact NZ-O 3.19Å; Q1164-S1195 WeakPolarHBondContact O-CB 3.41Å; Q1164-S1195 PolarHBondContact O-N 3.47Å; Q1164-S1195 PolarHBondContact O-OG 3.39Å; K1193-S1195 VanDerWaalsContact C-N 3.31Å; K1193-S1195 WeakPolarHBondContact CE-OG 3.2Å; K1193-S1195 WeakPolarHBondContact CG-OG 3.03Å; K1193-S1195 PolarHBondContact NZ-OG 2.87Å; K1193-S1195 PolarHBondContact O-N 3.02Å
1196D81.4Confident85Confident98 Ų9841.4 Ų41.452%0.52423%0.225SC..THydrogen-bonded Turntrans-88.7-15.1-168.9-52.6-22.5000113.3K1193 M1194K1193-D1196 VanDerWaalsContact CD-OD2 3.23Å; K1193-D1196 WeakPolarHBondContact CD-OD2 3.43Å; K1193-D1196 WeakPolarHBondContact CG-OD2 3.21Å; K1193-D1196 IonicContact NZ-OD1 2.78Å; K1193-D1196 PolarHBondContact NZ-OD1 3.41Å; K1193-D1196 IonicContact NZ-OD2 2.84Å; K1193-D1196 PolarHBondContact NZ-OD2 2.78Å; K1193-D1196 PolarHBondContact O-N 2.81Å; K1193-D1196 VanDerWaalsContact O-N 3.09Å; M1194-D1196 VanDerWaalsContact C-N 3.31Å
1197A81Confident85.7Confident3 Ų338 Ų383%0.02520%0.196CC..  trans-78.9131.4174.600000111.6K34 Y1187 K1193 V1201K34-A1197 VanDerWaalsContact CD-O 3.31Å; K34-A1197 WeakPolarHBondContact CD-O 3.4Å; K34-A1197 WeakPolarHBondContact CE-O 3.47Å; K34-A1197 PolarHBondContact NZ-O 2.94Å; Y1187-A1197 HydrophobicContact CD1-CB 4.45Å; Y1187-A1197 HydrophobicContact CE1-CB 3.93Å; Y1187-A1197 HydrophobicContact CE2-CB 4.43Å; K1193-A1197 PolarHBondContact O-N 2.96Å; A1197-V1201 HydrophobicContact CB-CG2 3.65Å
1198F82.6Confident86.2Confident175 Ų17536.5 Ų36.577%0.76819%0.191SC*.SBendtrans-82.1-21176-65.6-82.7000113.3Y1187Y1187-F1198 PolarHBondContact OH-N 3.24Å
1199T86.3Confident87Confident86 Ų8635.5 Ų35.553%0.52819%0.185SC..SBendtrans-140.8175.9-171.451.90000110.8Y1187 V1201Y1187-T1199 PolarHBondContact OH-N 2.64Å; Y1187-T1199 VanDerWaalsContact OH-N 3.15Å; Y1187-T1199 PolarHBondContact OH-OG1 3.14Å; T1199-V1201 PolarHBondContact O-N 3Å
1200D89.1Confident87.4Confident58 Ų5834.8 Ų34.831%0.3118%0.181SC..  trans-53.3129.5168.5-85.23.1000110.7N35 I37 V1202N35-D1200 WeakPolarHBondContact CB-OD1 3.33Å; N35-D1200 PolarHBondContact N-OD1 3.35Å; N35-D1200 PolarHBondContact ND2-OD1 3.11Å; N35-D1200 PolarHBondContact ND2-OD2 3.44Å; N35-D1200 CarbonylContact O-C 3.56Å; N35-D1200 WeakPolarHBondContact O-CA 3.26Å; I37-D1200 HydrophobicContact CD1-CB 4.46Å; I37-D1200 WeakPolarHBondContact CD1-OD2 3.43Å; D1200-V1202 HydrophobicContact CB-CG2 4.42Å; D1200-V1202 PolarHBondContact O-N 2.97Å
1201V90Very high87.8Confident1 Ų134.4 Ų34.41%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-81.3102.2179.1178.60000108.4N35 V36 I37 Y1187 I1192 A1197 T1199N35-V1201 PolarHBondContact O-N 3.01Å; V36-V1201 WeakPolarHBondContact CA-O 3.43Å; V36-V1201 HydrophobicContact CG1-CB 4.44Å; V36-V1201 HydrophobicContact CG1-CG1 4.42Å; V36-V1201 HydrophobicContact CG2-CB 4.22Å; I37-V1201 PolarHBondContact N-O 3.02Å; Y1187-V1201 HydrophobicContact CD2-CB 4.19Å; Y1187-V1201 HydrophobicContact CD2-CG1 4.04Å; Y1187-V1201 HydrophobicContact CD2-CG2 3.89Å; Y1187-V1201 HydrophobicContact CE2-CG2 4.1Å; Y1187-V1201 HydrophobicContact CG-CG1 4.48Å; Y1187-V1201 HydrophobicContact CG-CG2 4.37Å; I1192-V1201 HydrophobicContact CD1-CG1 3.99Å; I1192-V1201 HydrophobicContact CG1-CG1 4.24Å; I1192-V1201 HydrophobicContact CG2-CG1 4.23Å; I1192-V1201 HydrophobicContact CG2-CG2 4.2Å; A1197-V1201 HydrophobicContact CB-CG2 3.65Å; T1199-V1201 PolarHBondContact O-N 3Å
1202V91Very high88.3Confident54 Ų5432.6 Ų32.633%0.32717%0.17SC..EExtended strand (participates in β ladder)trans-103.1119.7-176.7-178.10000111I37 Y39 D1200 I1204I37-V1202 HydrophobicContact CB-CG2 4.42Å; I37-V1202 CarbonylContact O-C 3.58Å; I37-V1202 WeakPolarHBondContact O-CA 3.29Å; Y39-V1202 HydrophobicContact CE1-CG1 4.3Å; D1200-V1202 HydrophobicContact CB-CG2 4.42Å; D1200-V1202 PolarHBondContact O-N 2.97Å; V1202-I1204 HydrophobicContact CG1-CD1 4.45Å; V1202-I1204 HydrophobicContact CG1-CG1 4.01Å
1203G90.4Very high88.3Confident0 Ų032.8 Ų32.80%017%0.171CC..EExtended strand (participates in β ladder)trans-110.6116.1171.500000111.8I37 A38 Y39I37-G1203 PolarHBondContact O-N 3.36Å; A38-G1203 VanDerWaalsContact CA-O 3.27Å; A38-G1203 WeakPolarHBondContact CA-O 3.31Å; Y39-G1203 PolarHBondContact N-O 3.18Å
1204I91.9Very high88Confident18 Ų1830 Ų309%0.09216%0.159CC..EExtended strand (participates in β ladder)trans-102.3124.7179.9-51.9179.4000108.7Y39 T1183 E1184 V1202Y39-I1204 HydrophobicContact CE1-CD1 4.3Å; Y39-I1204 HydrophobicContact CE1-CG1 3.79Å; Y39-I1204 HydrophobicContact CE2-CG2 4.01Å; Y39-I1204 WeakPolarHBondContact OH-CD1 3.41Å; T1183-I1204 PolarHBondContact N-O 3.47Å; T1183-I1204 PolarHBondContact OG1-O 2.86Å; E1184-I1204 HydrophobicContact CB-CB 4.06Å; E1184-I1204 HydrophobicContact CB-CD1 4.06Å; E1184-I1204 HydrophobicContact CB-CG1 4.32Å; E1184-I1204 PolarHBondContact N-O 3.18Å; E1184-I1204 PolarHBondContact O-N 3.2Å; V1202-I1204 HydrophobicContact CG1-CD1 4.45Å; V1202-I1204 HydrophobicContact CG1-CG1 4.01Å
1205F93.5Very high87.7Confident19 Ų1930.7 Ų30.78%0.08316%0.162CC..EExtended strand (participates in β ladder)trans-116.3153.7-178.2-69-100.3000110.9A38 Y39 V40 Q41 L1170 V1172 V1180 E1181 A1182 L1189A38-F1205 HydrophobicContact CB-CE2 4.21Å; Y39-F1205 PolarHBondContact O-N 3.17Å; V40-F1205 CarbonylContact C-O 3.53Å; V40-F1205 WeakPolarHBondContact CA-O 3.19Å; V40-F1205 HydrophobicContact CB-CB 4.45Å; V40-F1205 HydrophobicContact CG1-CB 4.49Å; V40-F1205 HydrophobicContact CG2-CB 4Å; Q41-F1205 PolarHBondContact N-O 2.88Å; L1170-F1205 HydrophobicContact CD2-CE2 3.65Å; L1170-F1205 HydrophobicContact CD2-CZ 3.61Å; V1172-F1205 HydrophobicContact CB-CD1 4.37Å; V1172-F1205 HydrophobicContact CB-CE1 4.36Å; V1172-F1205 HydrophobicContact CG2-CD1 3.74Å; V1172-F1205 HydrophobicContact CG2-CD2 3.74Å; V1172-F1205 HydrophobicContact CG2-CE1 3.61Å; V1172-F1205 HydrophobicContact CG2-CE2 3.62Å; V1172-F1205 HydrophobicContact CG2-CG 3.81Å; V1172-F1205 HydrophobicContact CG2-CZ 3.56Å; V1180-F1205 HydrophobicContact CG1-CB 3.8Å; V1180-F1205 HydrophobicContact CG1-CD1 4.15Å; V1180-F1205 HydrophobicContact CG1-CG 4.42Å; E1181-F1205 CarbonylContact O-C 3.56Å; E1181-F1205 WeakPolarHBondContact O-CA 3.26Å; A1182-F1205 HydrophobicContact CB-CD1 4.02Å; A1182-F1205 HydrophobicContact CB-CE1 3.78Å; A1182-F1205 HydrophobicContact CB-CZ 4.22Å; L1189-F1205 HydrophobicContact CD1-CE2 4Å; L1189-F1205 HydrophobicContact CD1-CZ 3.69Å
1206E93.6Very high87.5Confident19 Ų1928.4 Ų28.49%0.08915%0.146CC..EExtended strand (participates in β ladder)trans-133.2132.9179.5-168.5157.9135.100112Q41 K43 K253 V1180 E1181 T1183 E1208Q41-E1206 HydrophobicContact CG-CB 4.23Å; Q41-E1206 HydrophobicContact CG-CG 4.07Å; Q41-E1206 PolarHBondContact NE2-OE2 2.99Å; Q41-E1206 CarbonylContact O-C 3.57Å; Q41-E1206 WeakPolarHBondContact O-CA 3.13Å; K43-E1206 WeakPolarHBondContact CA-OE1 3.32Å; K253-E1206 IonicContact NZ-OE1 2.68Å; K253-E1206 PolarHBondContact NZ-OE1 2.87Å; K253-E1206 IonicContact NZ-OE2 2.66Å; K253-E1206 PolarHBondContact NZ-OE2 3.34Å; V1180-E1206 VanDerWaalsContact CA-O 3.31Å; V1180-E1206 WeakPolarHBondContact CA-O 3.43Å; E1181-E1206 PolarHBondContact N-O 3.36Å; E1181-E1206 PolarHBondContact O-N 3.14Å; T1183-E1206 HydrophobicContact CG2-CB 3.48Å; T1183-E1206 VanDerWaalsContact CG2-CB 3.48Å; E1206-E1208 PolarHBondContact O-N 3.34Å
1207L94.1Very high87.1Confident0 Ų026 Ų260%013%0.13CC..EExtended strand (participates in β ladder)trans-71.4100.7165.8173.863.1000108.4V40 Q41 K43 W44 L256 W1178 V1180 H1209 L1210 F1297V40-L1207 HydrophobicContact CG1-CB 4.5Å; Q41-L1207 PolarHBondContact O-N 3.13Å; K43-L1207 WeakPolarHBondContact CB-O 3.45Å; K43-L1207 PolarHBondContact N-O 2.97Å; W44-L1207 HydrophobicContact CH2-CD2 3.81Å; W44-L1207 HydrophobicContact CZ3-CD2 4.18Å; L256-L1207 HydrophobicContact CD1-CB 3.46Å; L256-L1207 VanDerWaalsContact CD1-CB 3.46Å; L256-L1207 HydrophobicContact CD1-CD2 3.56Å; L256-L1207 HydrophobicContact CD1-CG 4.15Å; W1178-L1207 HydrophobicContact CB-CD1 3.56Å; W1178-L1207 HydrophobicContact CD2-CD1 3.84Å; W1178-L1207 HydrophobicContact CD2-CD2 4.09Å; W1178-L1207 HydrophobicContact CE3-CD1 4.11Å; W1178-L1207 HydrophobicContact CE3-CD2 4.3Å; W1178-L1207 HydrophobicContact CG-CD1 3.59Å; W1178-L1207 HydrophobicContact CG-CD2 4.47Å; V1180-L1207 HydrophobicContact CG2-CD1 4.29Å; L1207-H1209 VanDerWaalsContact CD1-O 3.3Å; L1207-H1209 WeakPolarHBondContact CD1-O 3.27Å; L1207-L1210 HydrophobicContact CD1-CD2 4.31Å; L1207-L1210 HydrophobicContact CD2-CD2 4.11Å; L1207-F1297 HydrophobicContact CD2-CD1 4.19Å; L1207-F1297 HydrophobicContact CD2-CE1 4Å
1208E91Very high86.6Confident25 Ų2525.9 Ų25.912%0.11713%0.129CC..EExtended strand (participates in β ladder)trans-79.6-38.8-177.7-167-171.4-164.300112.3K43 L1179 E1206 N1257 K1417 Q1443K43-E1208 HydrophobicContact CD-CG 3.99Å; K43-E1208 WeakPolarHBondContact CD-O 3.43Å; K43-E1208 IonicContact NZ-OE1 3.44Å; K43-E1208 PolarHBondContact NZ-OE1 3.07Å; L1179-E1208 PolarHBondContact O-N 3.13Å; E1206-E1208 PolarHBondContact O-N 3.34Å; E1208-N1257 PolarHBondContact O-ND2 2.84Å; E1208-N1257 PolarHBondContact O-OD1 2.99Å; E1208-K1417 IonicContact OE1-NZ 3.56Å; E1208-K1417 PolarHBondContact OE1-NZ 3.33Å; E1208-K1417 IonicContact OE2-NZ 3.86Å; E1208-K1417 PolarHBondContact OE2-NZ 2.93Å; E1208-Q1443 PolarHBondContact OE2-NE2 3.25Å
1209H92.6Very high85.8Confident15 Ų1520.7 Ų20.77%0.06911%0.108CC..EExtended strand (participates in β ladder)trans-150146.8-173-75.2-68.5000112L1179 L1207 F1241 K1255 A1256 N1257L1179-H1209 HydrophobicContact CB-CB 4.19Å; L1179-H1209 HydrophobicContact CD1-CB 4.06Å; L1179-H1209 PolarHBondContact N-O 3.39Å; L1207-H1209 VanDerWaalsContact CD1-O 3.3Å; L1207-H1209 WeakPolarHBondContact CD1-O 3.27Å; H1209-F1241 AromaticContact CE1-CZ 3.82Å; H1209-K1255 HydrophobicContact CB-CB 4.34Å; H1209-A1256 CarbonylContact C-O 3.59Å; H1209-A1256 VanDerWaalsContact CA-O 3.27Å; H1209-A1256 WeakPolarHBondContact CA-O 3.48Å; H1209-A1256 WeakPolarHBondContact CB-O 3.44Å; H1209-A1256 PolarHBondContact ND1-O 2.91Å; H1209-N1257 PolarHBondContact ND1-ND2 2.93Å
1210L91.5Very high84.6Confident0 Ų017.5 Ų17.50%09%0.088CC..EExtended strand (participates in β ladder)trans-94.4147.7161.6-67.6171.1000109.6S1177 W1178 L1207 A1256 P1258 F1297S1177-L1210 CarbonylContact O-C 3.57Å; S1177-L1210 WeakPolarHBondContact O-CA 3.49Å; W1178-L1210 VanDerWaalsContact CD1-CD2 3.48Å; W1178-L1210 HydrophobicContact CG-CD2 4.33Å; L1207-L1210 HydrophobicContact CD1-CD2 4.31Å; L1207-L1210 HydrophobicContact CD2-CD2 4.11Å; L1210-A1256 PolarHBondContact N-O 3.45Å; L1210-A1256 PolarHBondContact O-N 3.37Å; L1210-P1258 HydrophobicContact CD1-CG 4.06Å; L1210-F1297 HydrophobicContact CD2-CD1 4.49Å
1211L89Confident83.3Confident1 Ų116.2 Ų16.21%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-83.8133.8176.1-64176.1000111.7H1176 S1177 L1179 G1299 L1300 K1445H1176-L1211 WeakPolarHBondContact O-CD1 3.11Å; S1177-L1211 PolarHBondContact O-N 3.39Å; L1179-L1211 HydrophobicContact CD1-CD2 3.8Å; L1179-L1211 HydrophobicContact CG-CD2 4.01Å; L1211-G1299 WeakPolarHBondContact O-CA 3.48Å; L1211-L1300 PolarHBondContact O-N 3.23Å; L1211-K1445 HydrophobicContact CD1-CB 3.61Å; L1211-K1445 HydrophobicContact CD1-CD 4.07Å; L1211-K1445 HydrophobicContact CD1-CG 3.65Å; L1211-K1445 HydrophobicContact CD2-CB 4.24Å
1212L87.7Confident81.8Confident1 Ų117 Ų171%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-101.494.4161.2-172.5173.5000105.6L1232 F1252 Q1253 L1254 V1292 L1300L1212-L1232 HydrophobicContact CD1-CD1 3.71Å; L1212-L1232 HydrophobicContact CD1-CD2 3.92Å; L1212-F1252 HydrophobicContact CD2-CE2 3.86Å; L1212-Q1253 CarbonylContact O-C 3.59Å; L1212-Q1253 WeakPolarHBondContact O-CA 3.5Å; L1212-L1254 HydrophobicContact CB-CB 4.27Å; L1212-L1254 HydrophobicContact CD2-CD1 4.5Å; L1212-L1254 PolarHBondContact N-O 2.86Å; L1212-L1254 PolarHBondContact O-N 3.3Å; L1212-V1292 HydrophobicContact CD1-CB 4.38Å; L1212-V1292 HydrophobicContact CD1-CG1 3.82Å; L1212-V1292 HydrophobicContact CG-CG1 4.35Å; L1212-L1300 HydrophobicContact CG-CB 4.28Å
1213E84Confident80.7Confident9 Ų917.2 Ų17.24%0.0429%0.094CC..EExtended strand (participates in β ladder)trans-109.9145.717766.3175.917100111.1Y1251 F1252 Q1253 S1301 S1318 R1448E1213-Y1251 HydrophobicContact CB-CE2 4.08Å; E1213-Y1251 PolarHBondContact OE2-OH 2.86Å; E1213-F1252 WeakPolarHBondContact CA-O 3.48Å; E1213-Q1253 HydrophobicContact CB-CB 4.32Å; E1213-S1301 WeakPolarHBondContact OE1-CB 3.22Å; E1213-S1301 PolarHBondContact OE1-OG 2.67Å; E1213-S1318 PolarHBondContact O-OG 2.59Å; E1213-R1448 IonicContact OE1-CZ 2.77Å; E1213-R1448 IonicContact OE1-NE 3.73Å; E1213-R1448 PolarHBondContact OE1-NE 3.43Å; E1213-R1448 IonicContact OE1-NH2 2.71Å; E1213-R1448 PolarHBondContact OE1-NH2 2.85Å; E1213-R1448 IonicContact OE2-NE 3.16Å
1214G77.8Confident80.1Confident0 Ų019 Ų190%011%0.106CC..EExtended strand (participates in β ladder)trans-166.2178-177.500000113F1252 S1318G1214-F1252 VanDerWaalsContact C-CE1 3.44Å; G1214-F1252 PolarHBondContact N-O 3.22Å; G1214-F1252 VanDerWaalsContact N-O 3.1Å; G1214-F1252 WeakPolarHBondContact O-CD1 3.29Å; G1214-F1252 PolarHBondContact O-N 2.98Å; G1214-S1318 CarbonylContact C-O 3.22Å; G1214-S1318 WeakPolarHBondContact CA-O 3.47Å
1215H79.1Confident79.7Confident14 Ų1418.5 Ų18.57%0.06510%0.104CC..EExtended strand (participates in β ladder)trans-123.3121.8-178.9-64.5-96.5000109.8F1217 L1249 G1250 F1316 G1317 S1318 L1319 L1320H1215-F1217 HydrophobicContact CB-CD2 4.48Å; H1215-F1217 HydrophobicContact CB-CE2 3.77Å; H1215-F1217 HydrophobicContact CB-CZ 4.47Å; H1215-L1249 PolarHBondContact ND1-O 3.3Å; H1215-G1250 WeakPolarHBondContact CA-O 3.38Å; H1215-F1316 AromaticContact CE1-CD1 3.45Å; H1215-F1316 VanDerWaalsContact CE1-CD1 3.45Å; H1215-F1316 WeakPolarHBondContact CE1-CD1 3.46Å; H1215-F1316 AromaticContact NE2-CD1 3.65Å; H1215-G1317 PolarHBondContact CD2-N 2.89Å; H1215-S1318 PolarHBondContact N-O 2.96Å; H1215-L1319 WeakPolarHBondContact O-CA 3.34Å; H1215-L1320 PolarHBondContact O-N 3.31Å
1216C80.2Confident79.1Confident0 Ų021.7 Ų21.70%012%0.115CC..EExtended strand (participates in β ladder)trans-102.8131.3-179.9-173.30000110.9P1225 F1230 V1245 G1250 F1252 L1320C1216-P1225 WeakPolarHBondContact O-CD 3.24Å; C1216-F1230 HydrophobicContact CB-CE2 4.26Å; C1216-V1245 HydrophobicContact CB-CG1 4.06Å; C1216-V1245 HydrophobicContact CB-CG2 3.7Å; C1216-G1250 PolarHBondContact N-O 2.83Å; C1216-G1250 WeakPolarHBondContact O-CA 3.44Å; C1216-F1252 HydrophobicContact CB-CD1 4.06Å; C1216-F1252 HydrophobicContact CB-CE1 4.13Å; C1216-L1320 WeakPolarHBondContact CA-O 3.28Å
1217F73Confident78.6Confident47 Ų4721.2 Ų21.221%0.20612%0.116CC..EExtended strand (participates in β ladder)trans-133.3147.6175.1-63.6-80.9000110.3H1215 G1222 P1224 L1319 L1320 V1322H1215-F1217 HydrophobicContact CB-CD2 4.48Å; H1215-F1217 HydrophobicContact CB-CE2 3.77Å; H1215-F1217 HydrophobicContact CB-CZ 4.47Å; F1217-G1222 WeakPolarHBondContact CD1-O 3.43Å; F1217-P1224 HydrophobicContact CD1-CB 4.36Å; F1217-P1224 HydrophobicContact CE1-CB 4.37Å; F1217-L1319 HydrophobicContact CD2-CD1 3.91Å; F1217-L1319 HydrophobicContact CD2-CD2 4.44Å; F1217-L1319 HydrophobicContact CD2-CG 4.09Å; F1217-L1319 HydrophobicContact CE2-CD1 3.85Å; F1217-L1319 HydrophobicContact CE2-CG 4.42Å; F1217-L1320 PolarHBondContact N-O 2.59Å; F1217-V1322 PolarHBondContact O-N 3.15Å
1218D69.6Low78.4Confident1 Ų121.2 Ų21.21%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-78122.5167.4-176.6-20.5000108.7V1220 T1221 G1222 S1223 Y1274 V1322D1218-V1220 PolarHBondContact O-N 3.02Å; D1218-V1220 PolarHBondContact OD1-N 2.79Å; D1218-T1221 WeakPolarHBondContact CB-OG1 3.39Å; D1218-T1221 PolarHBondContact O-N 3.15Å; D1218-G1222 VanDerWaalsContact O-CA 3.3Å; D1218-G1222 WeakPolarHBondContact O-CA 3.48Å; D1218-G1222 PolarHBondContact O-N 3.19Å; D1218-S1223 PolarHBondContact N-O 3.12Å; D1218-Y1274 HydrophobicContact CB-CE1 4.11Å; D1218-Y1274 WeakPolarHBondContact OD2-CE1 3.33Å; D1218-Y1274 PolarHBondContact OD2-OH 3.2Å; D1218-V1322 CarbonylContact C-O 3.5Å; D1218-V1322 WeakPolarHBondContact CA-O 3.45Å
1219E66.8Low78.4Confident66 Ų6620.7 Ų20.731%0.30811%0.113SC..THydrogen-bonded Turntrans-61.7-25.2-177-171.6-174.8123.100112.4T739 N1277 Q1321 V1322 A1323T739-E1219 WeakPolarHBondContact CG2-O 3.49Å; E1219-N1277 PolarHBondContact OE1-ND2 2.84Å; E1219-N1277 WeakPolarHBondContact OE2-CB 3.48Å; E1219-N1277 PolarHBondContact OE2-ND2 3.35Å; E1219-Q1321 HydrophobicContact CB-CB 4.47Å; E1219-V1322 WeakPolarHBondContact CB-O 3.42Å; E1219-V1322 PolarHBondContact N-O 3.16Å; E1219-A1323 HydrophobicContact CB-CB 4.38Å
1220V60Low78.2Confident19 Ų1920 Ų2012%0.11511%0.11CC..THydrogen-bonded Turntrans-89.8-41.8-179-171.50000111.7T739 D1218 A1323 F1329T739-V1220 WeakPolarHBondContact CB-O 3.34Å; D1218-V1220 PolarHBondContact O-N 3.02Å; D1218-V1220 PolarHBondContact OD1-N 2.79Å; V1220-A1323 HydrophobicContact CG2-CB 4.4Å; V1220-F1329 HydrophobicContact CB-CE1 4.19Å; V1220-F1329 HydrophobicContact CG1-CE1 3.97Å; V1220-F1329 HydrophobicContact CG2-CE1 4.04Å; V1220-F1329 HydrophobicContact CG2-CZ 4.02Å
1221T61.8Low78.2Confident32 Ų3220.2 Ų20.220%0.19611%0.111CC..THydrogen-bonded Turntrans-91.2-19.8-175.471.90000113.4D741 D1218 S1223D741-T1221 WeakPolarHBondContact OD2-CA 3.03Å; D741-T1221 WeakPolarHBondContact OD2-CB 3.38Å; D741-T1221 WeakPolarHBondContact OD2-CG2 3.42Å; D1218-T1221 WeakPolarHBondContact CB-OG1 3.39Å; D1218-T1221 PolarHBondContact O-N 3.15Å; T1221-S1223 PolarHBondContact O-N 3.39Å; T1221-S1223 VanDerWaalsContact O-N 3.1Å; T1221-S1223 PolarHBondContact OG1-N 3.45Å; T1221-S1223 VanDerWaalsContact OG1-N 3.08Å; T1221-S1223 PolarHBondContact OG1-OG 3.14Å
1222G59.2Low78.2Confident16 Ų1620.1 Ų20.117%0.16511%0.111CC..  trans68.9-8-167.700000114.9Q742 F1217 D1218Q742-G1222 VanDerWaalsContact CD-CA 3.46Å; F1217-G1222 WeakPolarHBondContact CD1-O 3.43Å; D1218-G1222 VanDerWaalsContact O-CA 3.3Å; D1218-G1222 WeakPolarHBondContact O-CA 3.48Å; D1218-G1222 PolarHBondContact O-N 3.19Å
1223S68.1Low78.3Confident60 Ų6020.1 Ų20.142%0.4211%0.111SC..SBendtrans-90.2152.3-173.666.70000111.8D1218 T1221D1218-S1223 PolarHBondContact N-O 3.12Å; T1221-S1223 PolarHBondContact O-N 3.39Å; T1221-S1223 VanDerWaalsContact O-N 3.1Å; T1221-S1223 PolarHBondContact OG1-N 3.45Å; T1221-S1223 VanDerWaalsContact OG1-N 3.08Å; T1221-S1223 PolarHBondContact OG1-OG 3.14Å
1224P77.7Confident78.3Confident36 Ų3621.7 Ų21.723%0.23412%0.121CC..  trans-70.7125.2178.226.5-32.7000110.7F1217 R1226 A1247F1217-P1224 HydrophobicContact CD1-CB 4.36Å; F1217-P1224 HydrophobicContact CE1-CB 4.37Å; P1224-R1226 VanDerWaalsContact C-N 3.31Å; P1224-R1226 PolarHBondContact O-N 3.15Å; P1224-A1247 WeakPolarHBondContact CG-O 3.42Å
1225P82.7Confident78.3Confident8 Ų825.9 Ų25.95%0.05216%0.156CC..  trans-75.582.3-175.931.3-35.3000110.5C1216 G1227 L1228 V1245 Y1274 V1322C1216-P1225 WeakPolarHBondContact O-CD 3.24Å; P1225-G1227 PolarHBondContact O-N 3.03Å; P1225-L1228 HydrophobicContact CB-CB 4.14Å; P1225-L1228 HydrophobicContact CB-CD2 4.23Å; P1225-L1228 HydrophobicContact CG-CB 4.18Å; P1225-L1228 HydrophobicContact CG-CD2 3.71Å; P1225-L1228 WeakPolarHBondContact O-CB 3.43Å; P1225-L1228 PolarHBondContact O-N 3.13Å; P1225-L1228 VanDerWaalsContact O-N 3.1Å; P1225-V1245 HydrophobicContact CG-CG1 4.34Å; P1225-Y1274 HydrophobicContact CB-CE1 4.39Å; P1225-Y1274 HydrophobicContact CB-CE2 4.45Å; P1225-V1322 HydrophobicContact CB-CG2 4.48Å; P1225-V1322 HydrophobicContact CG-CG2 3.9Å
1226R81.2Confident78.3Confident86 Ų8633 Ų3333%0.32519%0.189SC..THydrogen-bonded Turntrans-48.2127.7-176.863178.9-174.1-164.91.9112.5P1224 L1228 A1247 E1332 L1333 L1334P1224-R1226 VanDerWaalsContact C-N 3.31Å; P1224-R1226 PolarHBondContact O-N 3.15Å; R1226-L1228 VanDerWaalsContact C-N 3.27Å; R1226-L1228 PolarHBondContact O-N 3.09Å; R1226-A1247 HydrophobicContact CB-CB 4.03Å; R1226-E1332 IonicContact CZ-OE2 2.8Å; R1226-E1332 IonicContact NE-OE2 2.81Å; R1226-E1332 IonicContact NH2-OE1 3.44Å; R1226-E1332 IonicContact NH2-OE2 3.71Å; R1226-E1332 PolarHBondContact NH2-OE2 2.75Å; R1226-L1333 WeakPolarHBondContact O-CD2 3.31Å; R1226-L1334 HydrophobicContact CG-CD1 4.26Å; R1226-L1334 PolarHBondContact NH2-O 3.33Å
1227G84.1Confident78.7Confident10 Ų1038.9 Ų38.910%0.10322%0.217CC..THydrogen-bonded Turntrans76.62.1177.300000115.9P1225 Q1229 V1245 L1333P1225-G1227 PolarHBondContact O-N 3.03Å; G1227-Q1229 WeakPolarHBondContact O-CG 3.48Å; G1227-Q1229 PolarHBondContact O-N 3.38Å; G1227-V1245 PolarHBondContact N-O 2.97Å; G1227-L1333 VanDerWaalsContact C-CD2 3.44Å; G1227-L1333 WeakPolarHBondContact O-CD2 3.46Å
1228L89Confident79.2Confident0 Ų038.6 Ų38.60%022%0.22CC..  trans-57.9131.5175.3-176.575.3000110.6P1225 R1226 F1230 I1244 V1245 L1265 Y1274 V1322 L1333P1225-L1228 HydrophobicContact CB-CB 4.14Å; P1225-L1228 HydrophobicContact CB-CD2 4.23Å; P1225-L1228 HydrophobicContact CG-CB 4.18Å; P1225-L1228 HydrophobicContact CG-CD2 3.71Å; P1225-L1228 WeakPolarHBondContact O-CB 3.43Å; P1225-L1228 PolarHBondContact O-N 3.13Å; P1225-L1228 VanDerWaalsContact O-N 3.1Å; R1226-L1228 VanDerWaalsContact C-N 3.27Å; R1226-L1228 PolarHBondContact O-N 3.09Å; L1228-F1230 HydrophobicContact CD2-CE2 4.03Å; L1228-F1230 HydrophobicContact CD2-CZ 3.94Å; L1228-I1244 WeakPolarHBondContact O-CA 3.34Å; L1228-V1245 HydrophobicContact CB-CB 4.13Å; L1228-V1245 HydrophobicContact CB-CG2 3.96Å; L1228-V1245 HydrophobicContact CD2-CG2 4.31Å; L1228-V1245 PolarHBondContact O-N 3.08Å; L1228-L1265 HydrophobicContact CD1-CD2 3.87Å; L1228-L1265 HydrophobicContact CD2-CD2 3.89Å; L1228-L1265 HydrophobicContact CG-CD2 3.9Å; L1228-Y1274 HydrophobicContact CD1-CD2 3.72Å; L1228-Y1274 HydrophobicContact CD1-CE2 4.48Å; L1228-Y1274 HydrophobicContact CD1-CG 3.94Å; L1228-V1322 HydrophobicContact CD2-CG1 4Å; L1228-V1322 HydrophobicContact CD2-CG2 4.05Å; L1228-L1333 HydrophobicContact CB-CD1 4.48Å; L1228-L1333 HydrophobicContact CD1-CD1 3.62Å
1229Q90.6Very high79.9Confident13 Ų1343 Ų436%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-101.7121.9-168.5-56.8-176.80.600111.5G1227 I1244 R1266 S1270 L1474G1227-Q1229 WeakPolarHBondContact O-CG 3.48Å; G1227-Q1229 PolarHBondContact O-N 3.38Å; Q1229-I1244 HydrophobicContact CG-CG2 3.97Å; Q1229-R1266 HydrophobicContact CB-CB 3.76Å; Q1229-R1266 PolarHBondContact O-N 3.27Å; Q1229-S1270 WeakPolarHBondContact CB-OG 3.42Å; Q1229-S1270 PolarHBondContact N-OG 3.34Å; Q1229-L1474 HydrophobicContact CB-CD1 4.01Å; Q1229-L1474 HydrophobicContact CG-CD1 3.82Å
1230F89.6Confident81Confident0 Ų043 Ų430%025%0.247CC..EExtended strand (participates in β ladder)trans-106.4150.3173.8-75.7-70000111.7C1216 L1228 D1242 T1243 V1245 F1252 L1254 L1263 R1264 L1265 L1320 V1322C1216-F1230 HydrophobicContact CB-CE2 4.26Å; L1228-F1230 HydrophobicContact CD2-CE2 4.03Å; L1228-F1230 HydrophobicContact CD2-CZ 3.94Å; F1230-D1242 WeakPolarHBondContact O-CA 3.22Å; F1230-T1243 HydrophobicContact CB-CG2 4.07Å; F1230-T1243 PolarHBondContact N-O 2.8Å; F1230-T1243 PolarHBondContact O-N 2.81Å; F1230-T1243 VanDerWaalsContact O-N 3.11Å; F1230-V1245 HydrophobicContact CD2-CG2 3.9Å; F1230-V1245 HydrophobicContact CE2-CG2 3.54Å; F1230-F1252 HydrophobicContact CD2-CG 4.48Å; F1230-L1254 HydrophobicContact CB-CD1 4.42Å; F1230-L1263 HydrophobicContact CB-CD1 4.13Å; F1230-L1263 HydrophobicContact CD1-CD1 3.98Å; F1230-L1263 HydrophobicContact CD1-CG 4.31Å; F1230-L1263 HydrophobicContact CG-CD1 4.28Å; F1230-R1264 WeakPolarHBondContact CA-O 3.35Å; F1230-R1264 WeakPolarHBondContact CD1-O 3.22Å; F1230-L1265 HydrophobicContact CD1-CD2 4.05Å; F1230-L1265 HydrophobicContact CE1-CD2 3.58Å; F1230-L1265 HydrophobicContact CE1-CG 4.4Å; F1230-L1265 HydrophobicContact CZ-CD2 4.03Å; F1230-L1320 HydrophobicContact CE1-CD1 3.96Å; F1230-L1320 HydrophobicContact CE1-CD2 4.3Å; F1230-L1320 HydrophobicContact CE2-CD1 4.39Å; F1230-L1320 HydrophobicContact CZ-CD1 3.71Å; F1230-L1320 HydrophobicContact CZ-CD2 3.76Å; F1230-L1320 HydrophobicContact CZ-CG 4.41Å; F1230-V1322 HydrophobicContact CZ-CG1 4.48Å
1231T91Very high82.5Confident5 Ų544.7 Ų44.73%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-127.2138169.354.60000110.4V1239 F1241 D1242 R1264 R1266T1231-V1239 HydrophobicContact CG2-CG1 3.86Å; T1231-V1239 HydrophobicContact CG2-CG2 4.08Å; T1231-F1241 CarbonylContact C-O 3.02Å; T1231-F1241 WeakPolarHBondContact CA-O 3.13Å; T1231-D1242 HydrophobicContact CG2-CB 4.44Å; T1231-R1264 PolarHBondContact N-O 2.76Å; T1231-R1264 PolarHBondContact O-N 2.84Å; T1231-R1264 PolarHBondContact OG1-O 3.48Å; T1231-R1266 HydrophobicContact CG2-CB 3.97Å; T1231-R1266 HydrophobicContact CG2-CG 3.8Å
1232L89.9Confident83.9Confident0 Ų045 Ų450%025%0.254CS..EExtended strand (participates in β ladder)trans-115.9139173.7-162.174.2000110.3L1212 M1240 F1241 L1254 A1256 W1261 L1263L1212-L1232 HydrophobicContact CD1-CD1 3.71Å; L1212-L1232 HydrophobicContact CD1-CD2 3.92Å; L1232-M1240 PolarHBondContact O-N 3.33Å; L1232-F1241 PolarHBondContact N-O 3.14Å; L1232-F1241 PolarHBondContact O-N 2.9Å; L1232-F1241 VanDerWaalsContact O-N 3.09Å; L1232-L1254 HydrophobicContact CB-CD1 4.12Å; L1232-L1254 HydrophobicContact CB-CD2 4.1Å; L1232-L1254 HydrophobicContact CB-CG 4.5Å; L1232-L1254 HydrophobicContact CD2-CB 4.15Å; L1232-A1256 HydrophobicContact CD2-CB 4.04Å; L1232-W1261 HydrophobicContact CD1-CB 3.85Å; L1232-W1261 HydrophobicContact CD2-CB 4.38Å; L1232-W1261 HydrophobicContact CD2-CD2 4.13Å; L1232-W1261 HydrophobicContact CD2-CE3 3.82Å; L1232-W1261 HydrophobicContact CD2-CG 4.37Å; L1232-W1261 HydrophobicContact CD2-CZ3 4.49Å; L1232-W1261 HydrophobicContact CG-CB 4.14Å; L1232-W1261 HydrophobicContact CG-CD2 4.42Å; L1232-W1261 HydrophobicContact CG-CE3 3.9Å; L1232-L1263 HydrophobicContact CD1-CB 3.99Å; L1232-L1263 HydrophobicContact CD1-CD1 4.04Å
1233G89.3Confident85.4Confident0 Ų044.6 Ų44.60%025%0.248CC..EExtended strand (participates in β ladder)trans-161-168.1177.700000113.9Q1237 L1262G1233-Q1237 CarbonylContact C-O 3.56Å; G1233-Q1237 WeakPolarHBondContact CA-O 3.47Å; G1233-L1262 PolarHBondContact N-O 3.32Å; G1233-L1262 VanDerWaalsContact N-O 3.13Å; G1233-L1262 WeakPolarHBondContact O-CB 3.46Å; G1233-L1262 PolarHBondContact O-N 3.34Å
1234T84.6Confident86.5Confident43 Ų4342.2 Ų42.226%0.26423%0.23SC..  trans-106.2-179.6168.855.50000110.2E1236 Q1237 P1238 M1240T1234-E1236 PolarHBondContact O-N 2.9Å; T1234-Q1237 PolarHBondContact N-O 3.41Å; T1234-Q1237 CarbonylContact O-C 3.53Å; T1234-Q1237 PolarHBondContact OG1-N 3.17Å; T1234-Q1237 VanDerWaalsContact OG1-N 3.15Å; T1234-P1238 WeakPolarHBondContact O-CA 3.46Å; T1234-M1240 HydrophobicContact CG2-CE 3.47Å; T1234-M1240 VanDerWaalsContact CG2-CE 3.47Å
1235A77Confident87Confident88 Ų8840.5 Ų40.573%0.72722%0.219SC*.SBendtrans-62.1-32.3171.700000112.9
1236E80.1Confident87.1Confident163 Ų16340.1 Ų40.176%0.76222%0.217SC*.SBendtrans-83.8-40.7-179.4-60.1-178.5151.300112.7T1234T1234-E1236 PolarHBondContact O-N 2.9Å
1237Q87Confident87Confident123 Ų12337.6 Ų37.658%0.57521%0.214SC*.  trans-123.988178.1-68.8-172.5-15.500109.7G1233 T1234 V1239 M1240G1233-Q1237 CarbonylContact C-O 3.56Å; G1233-Q1237 WeakPolarHBondContact CA-O 3.47Å; T1234-Q1237 PolarHBondContact N-O 3.41Å; T1234-Q1237 CarbonylContact O-C 3.53Å; T1234-Q1237 PolarHBondContact OG1-N 3.17Å; T1234-Q1237 VanDerWaalsContact OG1-N 3.15Å; Q1237-V1239 PolarHBondContact O-N 2.72Å; Q1237-M1240 HydrophobicContact CB-CE 4.35Å; Q1237-M1240 HydrophobicContact CB-CG 3.91Å; Q1237-M1240 HydrophobicContact CB-SD 4.33Å
1238P83.1Confident86.7Confident42 Ų4239.2 Ų39.227%0.27322%0.22SC..SBendtrans-69.7-11.7-172.5-2335.5000115.7T1234 L1262T1234-P1238 WeakPolarHBondContact O-CA 3.46Å; P1238-L1262 HydrophobicContact CB-CD2 4.35Å
1239V86.1Confident86Confident92 Ų9242.3 Ų42.356%0.55824%0.237SC*.  trans-133.595.5177.5-175.90000107.8T1231 Q1237T1231-V1239 HydrophobicContact CG2-CG1 3.86Å; T1231-V1239 HydrophobicContact CG2-CG2 4.08Å; Q1237-V1239 PolarHBondContact O-N 2.72Å
1240M89.6Confident85.4Confident67 Ų6741.7 Ų41.733%0.3323%0.234SC..SBendtrans-110.1-33.5171-78.2-169.5-86.800112.2L1232 T1234 Q1237 W1261L1232-M1240 PolarHBondContact O-N 3.33Å; T1234-M1240 HydrophobicContact CG2-CE 3.47Å; T1234-M1240 VanDerWaalsContact CG2-CE 3.47Å; Q1237-M1240 HydrophobicContact CB-CE 4.35Å; Q1237-M1240 HydrophobicContact CB-CG 3.91Å; Q1237-M1240 HydrophobicContact CB-SD 4.33Å; M1240-W1261 HydrophobicContact CE-CE3 4.47Å; M1240-W1261 HydrophobicContact CE-CH2 4.34Å; M1240-W1261 HydrophobicContact CE-CZ3 3.7Å
1241F90.5Very high85.2Confident54 Ų5441.9 Ų41.924%0.23723%0.234CC..EExtended strand (participates in β ladder)trans-133.8144.2176.3-55.9-67000110.4H1209 T1231 L1232 L1254 K1255 W1261H1209-F1241 AromaticContact CE1-CZ 3.82Å; T1231-F1241 CarbonylContact C-O 3.02Å; T1231-F1241 WeakPolarHBondContact CA-O 3.13Å; L1232-F1241 PolarHBondContact N-O 3.14Å; L1232-F1241 PolarHBondContact O-N 2.9Å; L1232-F1241 VanDerWaalsContact O-N 3.09Å; F1241-L1254 HydrophobicContact CB-CD2 4.06Å; F1241-K1255 HydrophobicContact CD1-CB 4.47Å; F1241-K1255 HydrophobicContact CD1-CD 4.46Å; F1241-K1255 HydrophobicContact CD2-CB 4.45Å; F1241-K1255 WeakPolarHBondContact CD2-O 3.37Å; F1241-K1255 HydrophobicContact CE1-CB 4.41Å; F1241-K1255 HydrophobicContact CE1-CD 4.45Å; F1241-K1255 HydrophobicContact CE2-CB 4.39Å; F1241-K1255 VanDerWaalsContact CE2-O 3.3Å; F1241-K1255 WeakPolarHBondContact CE2-O 3.38Å; F1241-K1255 HydrophobicContact CG-CB 4.49Å; F1241-K1255 HydrophobicContact CZ-CB 4.37Å; F1241-W1261 HydrophobicContact CE2-CH2 4.47Å; F1241-W1261 HydrophobicContact CE2-CZ3 4.32Å
1242D91Very high85.1Confident40 Ų4041.7 Ų41.721%0.21423%0.233CC..EExtended strand (participates in β ladder)trans-122.8160.3172.957.7-8.6000112.1F1230 T1231 R1266 L1474F1230-D1242 WeakPolarHBondContact O-CA 3.22Å; T1231-D1242 HydrophobicContact CG2-CB 4.44Å; D1242-R1266 IonicContact OD2-CZ 3.29Å; D1242-R1266 IonicContact OD2-NH1 3.11Å; D1242-R1266 PolarHBondContact OD2-NH1 2.94Å; D1242-R1266 IonicContact OD2-NH2 3.53Å; D1242-L1474 HydrophobicContact CB-CD1 4.32Å; D1242-L1474 HydrophobicContact CB-CG 4.35Å; D1242-L1474 WeakPolarHBondContact OD2-CB 3.31Å; D1242-L1474 WeakPolarHBondContact OD2-CG 3.22Å; D1242-L1474 PolarHBondContact OD2-N 3.22Å
1243T91.1Very high85.2Confident6 Ų641.9 Ų41.94%0.03723%0.234CC..EExtended strand (participates in β ladder)trans-159.3167.6176-157.90000110.7F1230 F1252 Q1253 L1254F1230-T1243 HydrophobicContact CB-CG2 4.07Å; F1230-T1243 PolarHBondContact N-O 2.8Å; F1230-T1243 PolarHBondContact O-N 2.81Å; F1230-T1243 VanDerWaalsContact O-N 3.11Å; T1243-F1252 HydrophobicContact CG2-CB 4.13Å; T1243-F1252 HydrophobicContact CG2-CD2 4.39Å; T1243-Q1253 WeakPolarHBondContact CB-O 3.39Å; T1243-Q1253 PolarHBondContact OG1-O 2.79Å; T1243-L1254 HydrophobicContact CG2-CD1 4.07Å; T1243-L1254 HydrophobicContact CG2-CD2 3.79Å; T1243-L1254 HydrophobicContact CG2-CG 3.68Å
1244I91.1Very high85.3Confident10 Ų1042.1 Ų42.15%0.05124%0.235CC..EExtended strand (participates in β ladder)trans-117.5149.8169.151166.8000111.8L1228 Q1229 D1469 V1470 L1474L1228-I1244 WeakPolarHBondContact O-CA 3.34Å; Q1229-I1244 HydrophobicContact CG-CG2 3.97Å; I1244-D1469 HydrophobicContact CD1-CB 4.05Å; I1244-V1470 HydrophobicContact CD1-CG1 4.02Å; I1244-V1470 HydrophobicContact CG1-CG1 3.51Å; I1244-L1474 HydrophobicContact CG2-CD1 4Å; I1244-L1474 HydrophobicContact CG2-CD2 3.96Å
1245V89.3Confident85.6Confident1 Ų142.2 Ų42.21%0.00623%0.232CC..  trans-72.7123.3167.4175.10000110C1216 P1225 G1227 L1228 F1230 F1252C1216-V1245 HydrophobicContact CB-CG1 4.06Å; C1216-V1245 HydrophobicContact CB-CG2 3.7Å; P1225-V1245 HydrophobicContact CG-CG1 4.34Å; G1227-V1245 PolarHBondContact N-O 2.97Å; L1228-V1245 HydrophobicContact CB-CB 4.13Å; L1228-V1245 HydrophobicContact CB-CG2 3.96Å; L1228-V1245 HydrophobicContact CD2-CG2 4.31Å; L1228-V1245 PolarHBondContact O-N 3.08Å; F1230-V1245 HydrophobicContact CD2-CG2 3.9Å; F1230-V1245 HydrophobicContact CE2-CG2 3.54Å; V1245-F1252 HydrophobicContact CG2-CB 4.45Å
1246M84.6Confident86.2Confident0 Ų038 Ų380%020%0.197CC..  trans-74.2143.5172-66-175175.900111N1248 G1250 Y1251 Y1444 W1449 V1470 D1557M1246-N1248 PolarHBondContact O-N 2.84Å; M1246-G1250 VanDerWaalsContact O-CA 3.27Å; M1246-G1250 WeakPolarHBondContact O-CA 3.46Å; M1246-G1250 PolarHBondContact O-N 2.87Å; M1246-Y1251 WeakPolarHBondContact CB-O 3.2Å; M1246-Y1251 PolarHBondContact N-O 2.96Å; M1246-Y1251 HydrophobicContact SD-CD1 4.22Å; M1246-Y1444 HydrophobicContact CE-CE1 4.31Å; M1246-Y1444 VanDerWaalsContact CE-OH 3.27Å; M1246-Y1444 WeakPolarHBondContact CE-OH 3.38Å; M1246-W1449 HydrophobicContact SD-CZ2 3.83Å; M1246-V1470 HydrophobicContact CE-CB 4.43Å; M1246-V1470 HydrophobicContact CE-CG1 3.83Å; M1246-V1470 HydrophobicContact CE-CG2 3.85Å; M1246-D1557 WeakPolarHBondContact CB-OD1 3.04Å
1247A79.3Confident86.7Confident33 Ų3331.5 Ų31.527%0.27317%0.168SC..THydrogen-bonded Turntrans-62-29.1170.700000111.8P1224 R1226 L1249 D1557P1224-A1247 WeakPolarHBondContact CG-O 3.42Å; R1226-A1247 HydrophobicContact CB-CB 4.03Å; A1247-L1249 PolarHBondContact O-N 3.16Å; A1247-D1557 HydrophobicContact CB-CB 4.17Å; A1247-D1557 WeakPolarHBondContact CB-OD2 3.5Å; A1247-D1557 PolarHBondContact N-OD2 3.22Å
1248N76Confident86.9Confident43 Ų4325.7 Ų25.723%0.2314%0.141CC..THydrogen-bonded Turntrans-74.2109.1176.6-65.76.3000110.1M1246 G1250 Y1251 W1449M1246-N1248 PolarHBondContact O-N 2.84Å; N1248-G1250 PolarHBondContact O-N 2.79Å; N1248-Y1251 PolarHBondContact O-N 3.32Å; N1248-W1449 HydrophobicContact CB-CH2 3.56Å; N1248-W1449 HydrophobicContact CB-CZ2 3.87Å; N1248-W1449 HydrophobicContact CB-CZ3 3.97Å; N1248-W1449 VanDerWaalsContact ND2-CH2 3.3Å; N1248-W1449 WeakPolarHBondContact ND2-CH2 3.42Å; N1248-W1449 WeakPolarHBondContact ND2-CZ3 3.4Å
1249L74.4Confident87.1Confident65 Ų6523.8 Ų23.834%0.3413%0.129SC..THydrogen-bonded Turntrans58.814.8176.7-56.1167.9000115.2H1215 A1247 Y1251 F1316 W1449H1215-L1249 PolarHBondContact ND1-O 3.3Å; A1247-L1249 PolarHBondContact O-N 3.16Å; L1249-Y1251 PolarHBondContact O-N 2.9Å; L1249-F1316 HydrophobicContact CD1-CE1 3.81Å; L1249-F1316 HydrophobicContact CD1-CZ 4.19Å; L1249-F1316 HydrophobicContact CD2-CE1 4.22Å; L1249-F1316 HydrophobicContact CD2-CE2 4.44Å; L1249-F1316 HydrophobicContact CD2-CZ 3.82Å; L1249-W1449 HydrophobicContact CD1-CB 3.85Å; L1249-W1449 HydrophobicContact CD1-CD2 4.33Å; L1249-W1449 HydrophobicContact CD1-CG 3.89Å
1250G78.6Confident87Confident0 Ų020.9 Ų20.90%011%0.114CC..THydrogen-bonded Turntrans65.318.5-175.300000113.9H1215 C1216 M1246 N1248 F1252H1215-G1250 WeakPolarHBondContact CA-O 3.38Å; C1216-G1250 PolarHBondContact N-O 2.83Å; C1216-G1250 WeakPolarHBondContact O-CA 3.44Å; M1246-G1250 VanDerWaalsContact O-CA 3.27Å; M1246-G1250 WeakPolarHBondContact O-CA 3.46Å; M1246-G1250 PolarHBondContact O-N 2.87Å; N1248-G1250 PolarHBondContact O-N 2.79Å; G1250-F1252 PolarHBondContact O-N 2.94Å
1251Y86.5Confident86.8Confident4 Ų419 Ų192%0.01610%0.104CC..EExtended strand (participates in β ladder)trans-66.9135.1-169.9-176-97.8000111.9E1213 M1246 N1248 L1249 Q1253 P1447 W1449E1213-Y1251 HydrophobicContact CB-CE2 4.08Å; E1213-Y1251 PolarHBondContact OE2-OH 2.86Å; M1246-Y1251 WeakPolarHBondContact CB-O 3.2Å; M1246-Y1251 PolarHBondContact N-O 2.96Å; M1246-Y1251 HydrophobicContact SD-CD1 4.22Å; N1248-Y1251 PolarHBondContact O-N 3.32Å; L1249-Y1251 PolarHBondContact O-N 2.9Å; Y1251-Q1253 HydrophobicContact CE1-CB 4.21Å; Y1251-Q1253 PolarHBondContact OH-NE2 3.37Å; Y1251-P1447 HydrophobicContact CD1-CB 4.12Å; Y1251-P1447 HydrophobicContact CD1-CG 4.18Å; Y1251-P1447 HydrophobicContact CE1-CB 3.66Å; Y1251-P1447 HydrophobicContact CE1-CG 3.73Å; Y1251-W1449 AromaticContact CD1-NE1 3.65Å; Y1251-W1449 AromaticContact CD2-CD1 3.92Å; Y1251-W1449 AromaticContact CD2-NE1 3.77Å; Y1251-W1449 AromaticContact CG-CD1 3.96Å; Y1251-W1449 AromaticContact CG-NE1 3.33Å; Y1251-W1449 VanDerWaalsContact CG-NE1 3.33Å
1252F89.1Confident86.5Confident1 Ų117.3 Ų17.30%0.00410%0.097CC..EExtended strand (participates in β ladder)trans-137.6151.5166.369.7-84.8000110.2L1212 E1213 G1214 C1216 F1230 T1243 V1245 G1250 L1254 L1320L1212-F1252 HydrophobicContact CD2-CE2 3.86Å; E1213-F1252 WeakPolarHBondContact CA-O 3.48Å; G1214-F1252 VanDerWaalsContact C-CE1 3.44Å; G1214-F1252 PolarHBondContact N-O 3.22Å; G1214-F1252 VanDerWaalsContact N-O 3.1Å; G1214-F1252 WeakPolarHBondContact O-CD1 3.29Å; G1214-F1252 PolarHBondContact O-N 2.98Å; C1216-F1252 HydrophobicContact CB-CD1 4.06Å; C1216-F1252 HydrophobicContact CB-CE1 4.13Å; F1230-F1252 HydrophobicContact CD2-CG 4.48Å; T1243-F1252 HydrophobicContact CG2-CB 4.13Å; T1243-F1252 HydrophobicContact CG2-CD2 4.39Å; V1245-F1252 HydrophobicContact CG2-CB 4.45Å; G1250-F1252 PolarHBondContact O-N 2.94Å; F1252-L1254 HydrophobicContact CD2-CD1 4.36Å; F1252-L1254 HydrophobicContact CE2-CD1 4.45Å; F1252-L1320 HydrophobicContact CE1-CB 4.35Å; F1252-L1320 HydrophobicContact CE1-CD1 4.23Å; F1252-L1320 HydrophobicContact CZ-CD1 3.87Å
1253Q91.1Very high86.3Confident5 Ų515.4 Ų15.42%0.0239%0.087CC..EExtended strand (participates in β ladder)trans-134148.7166.874.4-179.4-116.400111.2L1212 E1213 T1243 Y1251 Y1444 K1445L1212-Q1253 CarbonylContact O-C 3.59Å; L1212-Q1253 WeakPolarHBondContact O-CA 3.5Å; E1213-Q1253 HydrophobicContact CB-CB 4.32Å; T1243-Q1253 WeakPolarHBondContact CB-O 3.39Å; T1243-Q1253 PolarHBondContact OG1-O 2.79Å; Y1251-Q1253 HydrophobicContact CE1-CB 4.21Å; Y1251-Q1253 PolarHBondContact OH-NE2 3.37Å; Q1253-Y1444 VanDerWaalsContact CD-CZ 3.46Å; Q1253-Y1444 HydrophobicContact CG-CD2 4.21Å; Q1253-Y1444 HydrophobicContact CG-CE1 4.39Å; Q1253-Y1444 HydrophobicContact CG-CE2 3.48Å; Q1253-Y1444 VanDerWaalsContact CG-CE2 3.48Å; Q1253-K1445 PolarHBondContact NE2-O 3.37Å
1254L91.2Very high86Confident4 Ų418.3 Ų18.32%0.02110%0.097CC..EExtended strand (participates in β ladder)trans-133.4157.6173.4-74.9154.1000109.6L1212 F1230 L1232 F1241 T1243 F1252 L1263L1212-L1254 HydrophobicContact CB-CB 4.27Å; L1212-L1254 HydrophobicContact CD2-CD1 4.5Å; L1212-L1254 PolarHBondContact N-O 2.86Å; L1212-L1254 PolarHBondContact O-N 3.3Å; F1230-L1254 HydrophobicContact CB-CD1 4.42Å; L1232-L1254 HydrophobicContact CB-CD1 4.12Å; L1232-L1254 HydrophobicContact CB-CD2 4.1Å; L1232-L1254 HydrophobicContact CB-CG 4.5Å; L1232-L1254 HydrophobicContact CD2-CB 4.15Å; F1241-L1254 HydrophobicContact CB-CD2 4.06Å; T1243-L1254 HydrophobicContact CG2-CD1 4.07Å; T1243-L1254 HydrophobicContact CG2-CD2 3.79Å; T1243-L1254 HydrophobicContact CG2-CG 3.68Å; F1252-L1254 HydrophobicContact CD2-CD1 4.36Å; F1252-L1254 HydrophobicContact CE2-CD1 4.45Å; L1254-L1263 HydrophobicContact CD1-CD1 3.66Å
1255K90.4Very high85.9Confident45 Ų4518.3 Ų18.320%0.19610%0.097CC..EExtended strand (participates in β ladder)trans-99136.2179.6-58.3161-165.5159.30108.8L1179 H1209 F1241 Q1443L1179-K1255 HydrophobicContact CD1-CD 4.46Å; L1179-K1255 HydrophobicContact CD1-CG 3.92Å; H1209-K1255 HydrophobicContact CB-CB 4.34Å; F1241-K1255 HydrophobicContact CD1-CB 4.47Å; F1241-K1255 HydrophobicContact CD1-CD 4.46Å; F1241-K1255 HydrophobicContact CD2-CB 4.45Å; F1241-K1255 WeakPolarHBondContact CD2-O 3.37Å; F1241-K1255 HydrophobicContact CE1-CB 4.41Å; F1241-K1255 HydrophobicContact CE1-CD 4.45Å; F1241-K1255 HydrophobicContact CE2-CB 4.39Å; F1241-K1255 VanDerWaalsContact CE2-O 3.3Å; F1241-K1255 WeakPolarHBondContact CE2-O 3.38Å; F1241-K1255 HydrophobicContact CG-CB 4.49Å; F1241-K1255 HydrophobicContact CZ-CB 4.37Å; K1255-Q1443 HydrophobicContact CD-CG 4.43Å; K1255-Q1443 WeakPolarHBondContact CE-O 3.29Å; K1255-Q1443 PolarHBondContact NZ-O 2.84Å
1256A90Very high85.7Confident0 Ų020.2 Ų20.20%010%0.104CC..EExtended strand (participates in β ladder)trans-150.3-177.4-178.300000110.9H1209 L1210 L1232 W1261 L1294H1209-A1256 CarbonylContact C-O 3.59Å; H1209-A1256 VanDerWaalsContact CA-O 3.27Å; H1209-A1256 WeakPolarHBondContact CA-O 3.48Å; H1209-A1256 WeakPolarHBondContact CB-O 3.44Å; H1209-A1256 PolarHBondContact ND1-O 2.91Å; L1210-A1256 PolarHBondContact N-O 3.45Å; L1210-A1256 PolarHBondContact O-N 3.37Å; L1232-A1256 HydrophobicContact CD2-CB 4.04Å; A1256-W1261 HydrophobicContact CB-CD2 4.24Å; A1256-W1261 HydrophobicContact CB-CZ2 4.2Å; A1256-L1294 HydrophobicContact CB-CD1 3.21Å
1257N91.1Very high85.6Confident26 Ų2625.4 Ų25.414%0.13913%0.128CC..  trans-141.5168.9170.9-90.4-52.1000108.7E1208 H1209 G1259 W1261E1208-N1257 PolarHBondContact O-ND2 2.84Å; E1208-N1257 PolarHBondContact O-OD1 2.99Å; H1209-N1257 PolarHBondContact ND1-ND2 2.93Å; N1257-G1259 PolarHBondContact O-N 3.48Å; N1257-W1261 HydrophobicContact CB-CZ2 4.26Å; N1257-W1261 VanDerWaalsContact N-CZ2 3.33Å; N1257-W1261 PolarHBondContact O-NE1 3.31Å
1258P91.4Very high85.8Confident2 Ų224.7 Ų24.71%0.01312%0.124CC..SBendtrans-60.4131.9-176.6-19.230.8000111.4W44 P139 E142 M143 Q146 L1210 L1294W44-P1258 HydrophobicContact CE3-CG 4.07Å; W44-P1258 HydrophobicContact CH2-CG 3.75Å; W44-P1258 HydrophobicContact CZ2-CG 4.24Å; W44-P1258 HydrophobicContact CZ3-CG 3.66Å; P139-P1258 HydrophobicContact CB-CB 3.97Å; P139-P1258 HydrophobicContact CB-CG 3.75Å; P139-P1258 WeakPolarHBondContact O-CB 3.28Å; E142-P1258 HydrophobicContact CB-CB 4.1Å; E142-P1258 HydrophobicContact CB-CG 4.39Å; E142-P1258 HydrophobicContact CG-CB 4.06Å; E142-P1258 HydrophobicContact CG-CG 4.24Å; M143-P1258 HydrophobicContact CB-CB 4.39Å; Q146-P1258 WeakPolarHBondContact CG-O 3.19Å; L1210-P1258 HydrophobicContact CD1-CG 4.06Å; P1258-L1294 CarbonylContact C-O 3.47Å; P1258-L1294 VanDerWaalsContact CA-O 3.23Å; P1258-L1294 WeakPolarHBondContact CA-O 3.32Å
1259G87.7Confident86Confident2 Ų224.7 Ų24.72%0.02112%0.121CC..EExtended strand (participates in β ladder)trans150.1-179.3-168.400000113.8N1257 L1294N1257-G1259 PolarHBondContact O-N 3.48Å; G1259-L1294 PolarHBondContact N-O 3.24Å; G1259-L1294 PolarHBondContact O-N 2.86Å
1260A82.8Confident86.6Confident30 Ų3021.7 Ų21.725%0.24811%0.105CC..EExtended strand (participates in β ladder)trans-100.2120.8173.500000110.5L147 V1291L147-A1260 HydrophobicContact CD2-CB 3.7Å; L147-A1260 HydrophobicContact CG-CB 4.43Å; A1260-V1291 HydrophobicContact CB-CG1 4.03Å
1261W85.5Confident87Confident29 Ų2924.7 Ų24.711%0.1112%0.118CC..EExtended strand (participates in β ladder)trans-113.5155.2-175.9-64.380.8000111.3L1232 M1240 F1241 A1256 N1257 V1291 V1292L1232-W1261 HydrophobicContact CD1-CB 3.85Å; L1232-W1261 HydrophobicContact CD2-CB 4.38Å; L1232-W1261 HydrophobicContact CD2-CD2 4.13Å; L1232-W1261 HydrophobicContact CD2-CE3 3.82Å; L1232-W1261 HydrophobicContact CD2-CG 4.37Å; L1232-W1261 HydrophobicContact CD2-CZ3 4.49Å; L1232-W1261 HydrophobicContact CG-CB 4.14Å; L1232-W1261 HydrophobicContact CG-CD2 4.42Å; L1232-W1261 HydrophobicContact CG-CE3 3.9Å; M1240-W1261 HydrophobicContact CE-CE3 4.47Å; M1240-W1261 HydrophobicContact CE-CH2 4.34Å; M1240-W1261 HydrophobicContact CE-CZ3 3.7Å; F1241-W1261 HydrophobicContact CE2-CH2 4.47Å; F1241-W1261 HydrophobicContact CE2-CZ3 4.32Å; A1256-W1261 HydrophobicContact CB-CD2 4.24Å; A1256-W1261 HydrophobicContact CB-CZ2 4.2Å; N1257-W1261 HydrophobicContact CB-CZ2 4.26Å; N1257-W1261 VanDerWaalsContact N-CZ2 3.33Å; N1257-W1261 PolarHBondContact O-NE1 3.31Å; W1261-V1291 CarbonylContact O-C 3.6Å; W1261-V1291 WeakPolarHBondContact O-CA 3.46Å; W1261-V1292 PolarHBondContact N-O 3.07Å; W1261-V1292 PolarHBondContact O-N 3.24Å
1262L84.9Confident86.9Confident17 Ų1728 Ų289%0.08913%0.134CC..EExtended strand (participates in β ladder)trans-110.4102.3-175.317957.5000108.4G1233 P1238 R1264 R1289G1233-L1262 PolarHBondContact N-O 3.32Å; G1233-L1262 VanDerWaalsContact N-O 3.13Å; G1233-L1262 WeakPolarHBondContact O-CB 3.46Å; G1233-L1262 PolarHBondContact O-N 3.34Å; P1238-L1262 HydrophobicContact CB-CD2 4.35Å; L1262-R1264 HydrophobicContact CD1-CG 4.4Å; L1262-R1264 HydrophobicContact CG-CG 4.31Å; L1262-R1289 HydrophobicContact CD1-CB 3.9Å; L1262-R1289 HydrophobicContact CD1-CG 4.35Å
1263L86Confident86.7Confident0 Ų028 Ų280%013%0.134CC..EExtended strand (participates in β ladder)trans-93.4131177.9-177.162.6000109.5F1230 L1232 L1254 L1279 M1290 V1292 L1320F1230-L1263 HydrophobicContact CB-CD1 4.13Å; F1230-L1263 HydrophobicContact CD1-CD1 3.98Å; F1230-L1263 HydrophobicContact CD1-CG 4.31Å; F1230-L1263 HydrophobicContact CG-CD1 4.28Å; L1232-L1263 HydrophobicContact CD1-CB 3.99Å; L1232-L1263 HydrophobicContact CD1-CD1 4.04Å; L1254-L1263 HydrophobicContact CD1-CD1 3.66Å; L1263-L1279 HydrophobicContact CD2-CD2 4.06Å; L1263-M1290 HydrophobicContact CD2-CE 3.95Å; L1263-M1290 HydrophobicContact CG-CE 4.32Å; L1263-M1290 PolarHBondContact N-O 3.41Å; L1263-M1290 VanDerWaalsContact N-O 3.07Å; L1263-V1292 HydrophobicContact CB-CG2 3.77Å; L1263-V1292 HydrophobicContact CD2-CG2 4.14Å; L1263-L1320 HydrophobicContact CD2-CD1 3.85Å
1264R85.4Confident86.5Confident67 Ų6728.4 Ų28.425%0.25314%0.136SC..EExtended strand (participates in β ladder)trans-144154.5-177.8-62.6178.6176.6-174.8-0.9111.3F1230 T1231 L1262F1230-R1264 WeakPolarHBondContact CA-O 3.35Å; F1230-R1264 WeakPolarHBondContact CD1-O 3.22Å; T1231-R1264 PolarHBondContact N-O 2.76Å; T1231-R1264 PolarHBondContact O-N 2.84Å; T1231-R1264 PolarHBondContact OG1-O 3.48Å; L1262-R1264 HydrophobicContact CD1-CG 4.4Å; L1262-R1264 HydrophobicContact CG-CG 4.31Å
1265L88.1Confident86.1Confident11 Ų1130.6 Ų30.66%0.05815%0.145CC..EExtended strand (participates in β ladder)trans-66.4140.5158.9-64.9174.3000109.4L1228 F1230 K1271 Y1274 V1276L1228-L1265 HydrophobicContact CD1-CD2 3.87Å; L1228-L1265 HydrophobicContact CD2-CD2 3.89Å; L1228-L1265 HydrophobicContact CG-CD2 3.9Å; F1230-L1265 HydrophobicContact CD1-CD2 4.05Å; F1230-L1265 HydrophobicContact CE1-CD2 3.58Å; F1230-L1265 HydrophobicContact CE1-CG 4.4Å; F1230-L1265 HydrophobicContact CZ-CD2 4.03Å; L1265-K1271 HydrophobicContact CB-CB 4.13Å; L1265-Y1274 WeakPolarHBondContact CD1-O 3.35Å; L1265-V1276 HydrophobicContact CD1-CG2 3.94Å; L1265-V1276 HydrophobicContact CD2-CG2 4.38Å; L1265-V1276 HydrophobicContact CG-CG2 3.81Å
1266R86.7Confident85.5Confident41 Ų4129.3 Ų29.316%0.15514%0.141CC..PPolyproline II helixtrans-64.9140.2176.1-161.9-169.7-168.2104.6-12.3110.3Q1229 T1231 D1242 K1271Q1229-R1266 HydrophobicContact CB-CB 3.76Å; Q1229-R1266 PolarHBondContact O-N 3.27Å; T1231-R1266 HydrophobicContact CG2-CB 3.97Å; T1231-R1266 HydrophobicContact CG2-CG 3.8Å; D1242-R1266 IonicContact OD2-CZ 3.29Å; D1242-R1266 IonicContact OD2-NH1 3.11Å; D1242-R1266 PolarHBondContact OD2-NH1 2.94Å; D1242-R1266 IonicContact OD2-NH2 3.53Å; R1266-K1271 VanDerWaalsContact O-CB 3.32Å; R1266-K1271 WeakPolarHBondContact O-CB 3.17Å; R1266-K1271 PolarHBondContact O-N 2.99Å
1267E82.6Confident84.4Confident109 Ų10931.4 Ų31.451%0.50915%0.152SC..THydrogen-bonded Turntrans-53.5141.6168.4-62.4-66.7136.700110.9K1271E1267-K1271 IonicContact OE1-NZ 2.67Å; E1267-K1271 PolarHBondContact OE1-NZ 3.49Å; E1267-K1271 IonicContact OE2-NZ 3.92Å; E1267-K1271 PolarHBondContact OE2-NZ 3.4Å
1268G82.4Confident82.9Confident18 Ų1832.2 Ų32.219%0.18616%0.159CC..THydrogen-bonded Turntrans101.7-161.6-169.900000112.9S1270 K1271 E1272G1268-S1270 PolarHBondContact O-N 3.4Å; G1268-K1271 PolarHBondContact O-N 3.1Å; G1268-E1272 VanDerWaalsContact C-OE1 3.28Å; G1268-E1272 WeakPolarHBondContact CA-OE1 3.41Å; G1268-E1272 PolarHBondContact O-N 3.44Å
1269R79.5Confident81.2Confident42 Ų4232.5 Ų32.516%0.15816%0.161CC..Hα-helixtrans-58.8-23.1-163.1-170138.9152.1-157.2-5.1116.4E1272 I1273 E1331 E1332 S1344 L1346R1269-E1272 WeakPolarHBondContact CA-OE2 3.27Å; R1269-E1272 PolarHBondContact N-OE1 2.94Å; R1269-E1272 PolarHBondContact O-N 2.63Å; R1269-I1273 HydrophobicContact CG-CD1 3.61Å; R1269-I1273 HydrophobicContact CG-CG1 4.03Å; R1269-I1273 PolarHBondContact O-N 2.84Å; R1269-E1331 IonicContact NE-OE2 2.8Å; R1269-E1332 PolarHBondContact NH2-O 2.95Å; R1269-S1344 PolarHBondContact NH1-O 3.25Å; R1269-L1346 HydrophobicContact CB-CD2 3.87Å; R1269-L1346 HydrophobicContact CB-CG 4.07Å; R1269-L1346 HydrophobicContact CG-CD2 3.95Å; R1269-L1346 HydrophobicContact CG-CG 3.98Å
1270S87.6Confident79.4Confident2 Ų234.2 Ų34.21%0.01417%0.17CC..Hα-helixtrans-62.9-47.5168.9-71.50000112.4Q1229 G1268 Y1274Q1229-S1270 WeakPolarHBondContact CB-OG 3.42Å; Q1229-S1270 PolarHBondContact N-OG 3.34Å; G1268-S1270 PolarHBondContact O-N 3.4Å; S1270-Y1274 WeakPolarHBondContact O-CB 3.37Å; S1270-Y1274 PolarHBondContact O-N 3.4Å
1271K86.4Confident77.6Confident63 Ų6335.4 Ų35.427%0.27419%0.185SC..Hα-helixtrans-80.6-17.4176.7-172.8-178.3175.9-161.10113.2L1265 R1266 E1267 G1268 K1325L1265-K1271 HydrophobicContact CB-CB 4.13Å; R1266-K1271 VanDerWaalsContact O-CB 3.32Å; R1266-K1271 WeakPolarHBondContact O-CB 3.17Å; R1266-K1271 PolarHBondContact O-N 2.99Å; E1267-K1271 IonicContact OE1-NZ 2.67Å; E1267-K1271 PolarHBondContact OE1-NZ 3.49Å; E1267-K1271 IonicContact OE2-NZ 3.92Å; E1267-K1271 PolarHBondContact OE2-NZ 3.4Å; G1268-K1271 PolarHBondContact O-N 3.1Å; K1271-K1325 VanDerWaalsContact O-CE 3.31Å; K1271-K1325 WeakPolarHBondContact O-CE 3.41Å; K1271-K1325 PolarHBondContact O-NZ 3.19Å
1272E85.3Confident75.7Confident75 Ų7535 Ų3535%0.3519%0.188SC..Hα-helixtrans-72.2-52.5170.7-63.9156.4-157.100110.8G1268 R1269 K1325G1268-E1272 VanDerWaalsContact C-OE1 3.28Å; G1268-E1272 WeakPolarHBondContact CA-OE1 3.41Å; G1268-E1272 PolarHBondContact O-N 3.44Å; R1269-E1272 WeakPolarHBondContact CA-OE2 3.27Å; R1269-E1272 PolarHBondContact N-OE1 2.94Å; R1269-E1272 PolarHBondContact O-N 2.63Å; E1272-K1325 WeakPolarHBondContact O-CD 3.23Å
1273I85.5Confident73.9Confident0 Ų039.6 Ų39.60%021%0.209CC..Hα-helixtrans-75.9-44.7-177.8-63.3171.2000111.6R1269 K1324 K1325 K1328 E1331 L1333R1269-I1273 HydrophobicContact CG-CD1 3.61Å; R1269-I1273 HydrophobicContact CG-CG1 4.03Å; R1269-I1273 PolarHBondContact O-N 2.84Å; I1273-K1324 HydrophobicContact CG2-CD 4.22Å; I1273-K1324 HydrophobicContact CG2-CG 4.05Å; I1273-K1324 CarbonylContact O-C 3.54Å; I1273-K1324 WeakPolarHBondContact O-CA 3.33Å; I1273-K1325 PolarHBondContact O-N 2.76Å; I1273-K1328 HydrophobicContact CG1-CD 4.36Å; I1273-K1328 HydrophobicContact CG2-CB 4.3Å; I1273-E1331 HydrophobicContact CD1-CB 3.97Å; I1273-E1331 HydrophobicContact CG1-CB 4.21Å; I1273-L1333 HydrophobicContact CD1-CB 4.31Å
1274Y85.6Confident72.1Confident14 Ų1442.8 Ų42.86%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-106.5152.3-171-76.7-87.8000113.7D1218 P1225 L1228 L1265 S1270 V1322 A1323 K1324 K1325 L1333D1218-Y1274 HydrophobicContact CB-CE1 4.11Å; D1218-Y1274 WeakPolarHBondContact OD2-CE1 3.33Å; D1218-Y1274 PolarHBondContact OD2-OH 3.2Å; P1225-Y1274 HydrophobicContact CB-CE1 4.39Å; P1225-Y1274 HydrophobicContact CB-CE2 4.45Å; L1228-Y1274 HydrophobicContact CD1-CD2 3.72Å; L1228-Y1274 HydrophobicContact CD1-CE2 4.48Å; L1228-Y1274 HydrophobicContact CD1-CG 3.94Å; L1265-Y1274 WeakPolarHBondContact CD1-O 3.35Å; S1270-Y1274 WeakPolarHBondContact O-CB 3.37Å; S1270-Y1274 PolarHBondContact O-N 3.4Å; Y1274-V1322 HydrophobicContact CD1-CB 3.8Å; Y1274-V1322 HydrophobicContact CD1-CG2 3.47Å; Y1274-V1322 VanDerWaalsContact CD1-CG2 3.47Å; Y1274-V1322 HydrophobicContact CE1-CG2 3.74Å; Y1274-V1322 HydrophobicContact CG-CG2 4.36Å; Y1274-A1323 VanDerWaalsContact CD1-C 3.5Å; Y1274-K1324 HydrophobicContact CD1-CG 4.34Å; Y1274-K1324 HydrophobicContact CE1-CG 3.7Å; Y1274-K1324 HydrophobicContact CE2-CG 4.24Å; Y1274-K1324 WeakPolarHBondContact OH-CE 3.42Å; Y1274-K1325 VanDerWaalsContact O-CE 3.23Å; Y1274-K1325 WeakPolarHBondContact O-CE 3.22Å; Y1274-L1333 HydrophobicContact CD2-CD1 3.7Å; Y1274-L1333 HydrophobicContact CE2-CB 4.46Å; Y1274-L1333 HydrophobicContact CE2-CD1 3.86Å
1275K82.7Confident70.4Confident50 Ų5042.1 Ų42.122%0.21723%0.234CC..EExtended strand (participates in β ladder)trans-122.9155.916060.8178.5-179.399.50109.6N1277 V1322 A1323 K1325K1275-N1277 PolarHBondContact NZ-OD1 3.13Å; K1275-V1322 CarbonylContact O-C 3.58Å; K1275-V1322 VanDerWaalsContact O-CA 3.25Å; K1275-V1322 WeakPolarHBondContact O-CA 3.49Å; K1275-V1322 WeakPolarHBondContact O-CB 3.49Å; K1275-A1323 WeakPolarHBondContact CG-O 3.44Å; K1275-A1323 PolarHBondContact N-O 3.32Å; K1275-A1323 PolarHBondContact O-N 3.03Å; K1275-K1325 HydrophobicContact CB-CG 4.49Å; K1275-K1325 HydrophobicContact CG-CG 4.47Å
1276V77.8Confident68.4Low17 Ų1749.7 Ų49.710%0.10328%0.275CS..EExtended strand (participates in β ladder)trans-91.2131.2172.4-165.50000109.5L1265 M1290 L1320 V1322L1265-V1276 HydrophobicContact CD1-CG2 3.94Å; L1265-V1276 HydrophobicContact CD2-CG2 4.38Å; L1265-V1276 HydrophobicContact CG-CG2 3.81Å; V1276-M1290 HydrophobicContact CB-SD 4.42Å; V1276-M1290 HydrophobicContact CG1-CE 3.74Å; V1276-M1290 HydrophobicContact CG1-SD 3.58Å; V1276-M1290 VanDerWaalsContact CG1-SD 3.58Å; V1276-L1320 HydrophobicContact CG1-CD2 3.8Å; V1276-L1320 HydrophobicContact CG1-CG 4.47Å; V1276-V1322 HydrophobicContact CG1-CG1 4.42Å; V1276-V1322 HydrophobicContact CG2-CG1 4.19Å
1277N67.1Low66.7Low44 Ų4452.5 Ų52.524%0.23529%0.293CS..EExtended strand (participates in β ladder)trans-102.1-44.2178.8-73.2-3.4000112E1219 K1275 Q1321 A1323E1219-N1277 PolarHBondContact OE1-ND2 2.84Å; E1219-N1277 WeakPolarHBondContact OE2-CB 3.48Å; E1219-N1277 PolarHBondContact OE2-ND2 3.35Å; K1275-N1277 PolarHBondContact NZ-OD1 3.13Å; N1277-Q1321 PolarHBondContact N-O 3.49Å; N1277-A1323 WeakPolarHBondContact ND2-CB 3.34Å
1278S60.1Low65.5Low43 Ų4350.7 Ų50.730%0.30128%0.284SS..EExtended strand (participates in β ladder)trans-149.7152177.376.10000112.5Q1321S1278-Q1321 PolarHBondContact N-O 3.48Å; S1278-Q1321 PolarHBondContact O-N 2.95Å; S1278-Q1321 PolarHBondContact OG-OE1 3.04Å
1279L55.7Low64.4Low8 Ų855.2 Ų55.24%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-135.8126.3161.5166.561000106.5L1263 G1281 A1282 M1290 V1292 L1320L1263-L1279 HydrophobicContact CD2-CD2 4.06Å; L1279-G1281 PolarHBondContact O-N 3.14Å; L1279-G1281 VanDerWaalsContact O-N 3.14Å; L1279-A1282 HydrophobicContact CB-CB 4.02Å; L1279-A1282 HydrophobicContact CD2-CB 3.9Å; L1279-A1282 HydrophobicContact CG-CB 3.95Å; L1279-A1282 PolarHBondContact O-N 2.68Å; L1279-M1290 HydrophobicContact CB-CE 3.66Å; L1279-M1290 HydrophobicContact CB-SD 3.53Å; L1279-M1290 VanDerWaalsContact CB-SD 3.53Å; L1279-M1290 HydrophobicContact CD2-CE 3.69Å; L1279-M1290 HydrophobicContact CD2-SD 4.37Å; L1279-M1290 HydrophobicContact CG-CE 4.33Å; L1279-V1292 HydrophobicContact CD2-CG2 3.76Å; L1279-L1320 HydrophobicContact CB-CG 4.25Å; L1279-L1320 HydrophobicContact CD1-CB 3.99Å; L1279-L1320 HydrophobicContact CD1-CD1 4.34Å; L1279-L1320 HydrophobicContact CD1-CG 4.19Å; L1279-L1320 HydrophobicContact CD2-CD1 4.49Å
1280D49.4Very low64Low38 Ų3853.3 Ų53.320%0.20329%0.289CS..THydrogen-bonded Turntrans-59.9118.4-174.9-135-11.2000110.7S1303 S1305 L1319D1280-S1303 VanDerWaalsContact O-CB 3.29Å; D1280-S1303 WeakPolarHBondContact O-CB 3.5Å; D1280-S1303 PolarHBondContact O-OG 2.64Å; D1280-S1305 WeakPolarHBondContact OD1-CB 3.49Å; D1280-S1305 PolarHBondContact OD1-OG 3.48Å; D1280-L1319 PolarHBondContact N-O 2.64Å
1281G44.9Very low63.4Low56 Ų5655.5 Ų55.558%0.57730%0.302SS*.THydrogen-bonded Turntrans86.8-1.3-177.900000116.9L1279 S1303L1279-G1281 PolarHBondContact O-N 3.14Å; L1279-G1281 VanDerWaalsContact O-N 3.14Å; G1281-S1303 WeakPolarHBondContact CA-OG 3.37Å; G1281-S1303 PolarHBondContact N-OG 3.17Å
1282A46.7Very low63.1Low21 Ų2152.6 Ų52.617%0.17429%0.289CS..  trans-100145.2173.500000112L1279 V1284L1279-A1282 HydrophobicContact CB-CB 4.02Å; L1279-A1282 HydrophobicContact CD2-CB 3.9Å; L1279-A1282 HydrophobicContact CG-CB 3.95Å; L1279-A1282 PolarHBondContact O-N 2.68Å; A1282-V1284 PolarHBondContact O-N 2.84Å
1283Q47.2Very low62.7Low113 Ų11350 Ų5053%0.52828%0.278SS..EExtended strand (participates in β ladder)trans-84.6111.5168.3-72.1-178.419.400109.6I188 S1285I188-Q1283 PolarHBondContact O-NE2 3.3Å; Q1283-S1285 PolarHBondContact O-N 3.21Å
1284V47.9Very low62.7Low66 Ų6650 Ų5040%0.428%0.278SS..EExtended strand (participates in β ladder)trans-76.1118.3170.8-175.30000108.6A1282 M1290A1282-V1284 PolarHBondContact O-N 2.84Å; V1284-M1290 HydrophobicContact CG2-CG 4.2Å; V1284-M1290 HydrophobicContact CG2-SD 4.04Å
1285S48.6Very low62.7Low54 Ų5451.5 Ų51.538%0.37829%0.287SS..  trans-88.9160.5170.6670000111.2Q1283 D1287 E1288 R1289Q1283-S1285 PolarHBondContact O-N 3.21Å; S1285-D1287 PolarHBondContact O-N 3.4Å; S1285-E1288 PolarHBondContact O-N 3.5Å; S1285-R1289 PolarHBondContact N-O 2.61Å; S1285-R1289 WeakPolarHBondContact OG-CB 3.28Å; S1285-R1289 PolarHBondContact OG-O 2.89Å
1286N47.2Very low62.9Low170 Ų17052.1 Ų52.191%0.90929%0.292SS*.THydrogen-bonded Turntrans-56.9-18-179.9-66.811.6000114.5E1288N1286-E1288 VanDerWaalsContact C-N 3.34Å; N1286-E1288 PolarHBondContact O-N 3.08Å
1287D50.2Low63.3Low99 Ų9951.4 Ų51.453%0.52929%0.288SS..THydrogen-bonded Turntrans-90.318.4-174.6-75.732.4000113.8S1285 R1289S1285-D1287 PolarHBondContact O-N 3.4Å; D1287-R1289 HydrophobicContact CB-CG 3.9Å; D1287-R1289 PolarHBondContact O-N 2.79Å; D1287-R1289 IonicContact OD2-CZ 2.75Å; D1287-R1289 VanDerWaalsContact OD2-CZ 3.27Å; D1287-R1289 IonicContact OD2-NE 3.94Å; D1287-R1289 PolarHBondContact OD2-NE 3.13Å; D1287-R1289 IonicContact OD2-NH2 2.7Å; D1287-R1289 PolarHBondContact OD2-NH2 3.34Å
1288E57.2Low63.7Low72 Ų7249.9 Ų49.934%0.33628%0.283SS..SBendtrans58.410.2-169.3-55.5-176142.600114.2S1285 N1286S1285-E1288 PolarHBondContact O-N 3.5Å; N1286-E1288 VanDerWaalsContact C-N 3.34Å; N1286-E1288 PolarHBondContact O-N 3.08Å
1289R60.3Low64.1Low112 Ų11248 Ų4842%0.42327%0.27SS..PPolyproline II helixtrans-87.2120.5179.1-54.9174.3-154.5-166.111109.6L1262 S1285 D1287L1262-R1289 HydrophobicContact CD1-CB 3.9Å; L1262-R1289 HydrophobicContact CD1-CG 4.35Å; S1285-R1289 PolarHBondContact N-O 2.61Å; S1285-R1289 WeakPolarHBondContact OG-CB 3.28Å; S1285-R1289 PolarHBondContact OG-O 2.89Å; D1287-R1289 HydrophobicContact CB-CG 3.9Å; D1287-R1289 PolarHBondContact O-N 2.79Å; D1287-R1289 IonicContact OD2-CZ 2.75Å; D1287-R1289 VanDerWaalsContact OD2-CZ 3.27Å; D1287-R1289 IonicContact OD2-NE 3.94Å; D1287-R1289 PolarHBondContact OD2-NE 3.13Å; D1287-R1289 IonicContact OD2-NH2 2.7Å; D1287-R1289 PolarHBondContact OD2-NH2 3.34Å
1290M71.4Confident64.4Low2 Ų248.8 Ų48.81%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-102.2130.5169.4-59.6-160.7-55.600110.5L1263 V1276 L1279 V1284 L1320L1263-M1290 HydrophobicContact CD2-CE 3.95Å; L1263-M1290 HydrophobicContact CG-CE 4.32Å; L1263-M1290 PolarHBondContact N-O 3.41Å; L1263-M1290 VanDerWaalsContact N-O 3.07Å; V1276-M1290 HydrophobicContact CB-SD 4.42Å; V1276-M1290 HydrophobicContact CG1-CE 3.74Å; V1276-M1290 HydrophobicContact CG1-SD 3.58Å; V1276-M1290 VanDerWaalsContact CG1-SD 3.58Å; L1279-M1290 HydrophobicContact CB-CE 3.66Å; L1279-M1290 HydrophobicContact CB-SD 3.53Å; L1279-M1290 VanDerWaalsContact CB-SD 3.53Å; L1279-M1290 HydrophobicContact CD2-CE 3.69Å; L1279-M1290 HydrophobicContact CD2-SD 4.37Å; L1279-M1290 HydrophobicContact CG-CE 4.33Å; V1284-M1290 HydrophobicContact CG2-CG 4.2Å; V1284-M1290 HydrophobicContact CG2-SD 4.04Å; M1290-L1320 HydrophobicContact CE-CD1 4.02Å; M1290-L1320 HydrophobicContact CE-CG 4.33Å
1291V74.9Confident64.4Low48 Ų4847.7 Ų47.729%0.29127%0.269SS..EExtended strand (participates in β ladder)trans-96.9119.4170.6-178.40000108.6F189 A1260 W1261F189-V1291 HydrophobicContact CE1-CG1 4.01Å; A1260-V1291 HydrophobicContact CB-CG1 4.03Å; W1261-V1291 CarbonylContact O-C 3.6Å; W1261-V1291 WeakPolarHBondContact O-CA 3.46Å
1292V78.6Confident64.2Low2 Ų251.6 Ų51.61%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-103.9135.1177-178.60000108.7L1212 W1261 L1263 L1279 L1300L1212-V1292 HydrophobicContact CD1-CB 4.38Å; L1212-V1292 HydrophobicContact CD1-CG1 3.82Å; L1212-V1292 HydrophobicContact CG-CG1 4.35Å; W1261-V1292 PolarHBondContact N-O 3.07Å; W1261-V1292 PolarHBondContact O-N 3.24Å; L1263-V1292 HydrophobicContact CB-CG2 3.77Å; L1263-V1292 HydrophobicContact CD2-CG2 4.14Å; L1279-V1292 HydrophobicContact CD2-CG2 3.76Å; V1292-L1300 HydrophobicContact CG1-CD1 3.79Å; V1292-L1300 HydrophobicContact CG1-CD2 3.64Å; V1292-L1300 HydrophobicContact CG1-CG 4.19Å
1293I78.6Confident63.7Low22 Ų2252.1 Ų52.111%0.11327%0.273CS..EExtended strand (participates in β ladder)trans-111.5131-174.5-62.4158.3000109.1M143 F189 F191 D1295 L1300M143-I1293 HydrophobicContact SD-CG2 3.6Å; M143-I1293 VanDerWaalsContact SD-CG2 3.6Å; F189-I1293 HydrophobicContact CB-CD1 4Å; F189-I1293 HydrophobicContact CD1-CD1 3.89Å; F189-I1293 HydrophobicContact CG-CD1 4.2Å; F191-I1293 HydrophobicContact CD1-CD1 4.13Å; F191-I1293 HydrophobicContact CD1-CG2 3.81Å; F191-I1293 HydrophobicContact CE1-CB 4.49Å; F191-I1293 HydrophobicContact CE1-CD1 3.73Å; F191-I1293 HydrophobicContact CE1-CG1 4.01Å; F191-I1293 HydrophobicContact CE1-CG2 3.66Å; I1293-D1295 HydrophobicContact CG2-CB 4.3Å; I1293-L1300 WeakPolarHBondContact O-CD1 3.23Å
1294L85.1Confident63Low0 Ų054.6 Ų54.60%028%0.277CS..EExtended strand (participates in β ladder)trans-119107.6171.4-78160.3000109.2A1256 P1258 G1259 L1300A1256-L1294 HydrophobicContact CB-CD1 3.21Å; P1258-L1294 CarbonylContact C-O 3.47Å; P1258-L1294 VanDerWaalsContact CA-O 3.23Å; P1258-L1294 WeakPolarHBondContact CA-O 3.32Å; G1259-L1294 PolarHBondContact N-O 3.24Å; G1259-L1294 PolarHBondContact O-N 2.86Å; L1294-L1300 HydrophobicContact CD2-CB 4.15Å
1295D84.2Confident62.2Low45 Ų4552.7 Ų52.724%0.24127%0.266CS..  trans-123.2-1.4-172.867-15.6000113.4S140 M143 I1293S140-D1295 WeakPolarHBondContact CA-O 3.42Å; S140-D1295 WeakPolarHBondContact CB-O 3.38Å; S140-D1295 PolarHBondContact N-O 2.88Å; S140-D1295 VanDerWaalsContact N-O 3.09Å; S140-D1295 PolarHBondContact OG-O 3.34Å; M143-D1295 HydrophobicContact SD-CB 3.75Å; I1293-D1295 HydrophobicContact CG2-CB 4.3Å
1296N87Confident61.2Low62 Ų6256.9 Ų56.933%0.33228%0.284SS..SBendtrans-149.1162.2-170.377.485.6000113.2G1298 G1299N1296-G1298 VanDerWaalsContact C-N 3.35Å; N1296-G1298 PolarHBondContact O-N 3.08Å; N1296-G1298 WeakPolarHBondContact OD1-CA 3.38Å; N1296-G1298 PolarHBondContact OD1-N 3.05Å; N1296-G1299 PolarHBondContact O-N 3.46Å
1297F87.5Confident60.3Low3 Ų354.2 Ų54.21%0.01327%0.269CS..THydrogen-bonded Turntrans-73.2-14.7-177.2-74.7-62.5000115.7W44 P139 L256 F437 S1177 W1178 L1207 L1210 G1299W44-F1297 AromaticContact CH2-CE1 3.86Å; W44-F1297 HydrophobicContact CH2-CE1 3.86Å; W44-F1297 AromaticContact CZ2-CE1 3.82Å; W44-F1297 HydrophobicContact CZ2-CE1 3.82Å; W44-F1297 HydrophobicContact CZ2-CZ 4.1Å; P139-F1297 HydrophobicContact CG-CD1 3.69Å; P139-F1297 HydrophobicContact CG-CD2 3.72Å; P139-F1297 HydrophobicContact CG-CE1 3.56Å; P139-F1297 HydrophobicContact CG-CE2 3.6Å; P139-F1297 HydrophobicContact CG-CG 3.76Å; P139-F1297 HydrophobicContact CG-CZ 3.5Å; P139-F1297 VanDerWaalsContact CG-CZ 3.5Å; L256-F1297 HydrophobicContact CD1-CE1 4.39Å; L256-F1297 HydrophobicContact CD2-CE1 3.74Å; L256-F1297 HydrophobicContact CD2-CZ 3.5Å; L256-F1297 VanDerWaalsContact CD2-CZ 3.5Å; F437-F1297 HydrophobicContact CD1-CD2 4.07Å; F437-F1297 HydrophobicContact CD2-CB 3.62Å; F437-F1297 HydrophobicContact CD2-CD2 4.49Å; F437-F1297 HydrophobicContact CD2-CG 4.42Å; F437-F1297 AromaticContact CE1-CD2 3.64Å; F437-F1297 HydrophobicContact CE1-CD2 3.64Å; F437-F1297 HydrophobicContact CE1-CE2 4.23Å; F437-F1297 HydrophobicContact CE1-CG 4.37Å; F437-F1297 HydrophobicContact CE2-CB 3.57Å; F437-F1297 HydrophobicContact CE2-CD2 4.11Å; F437-F1297 HydrophobicContact CE2-CG 4.02Å; F437-F1297 HydrophobicContact CG-CB 4.15Å; F437-F1297 HydrophobicContact CG-CD2 4.48Å; F437-F1297 HydrophobicContact CZ-CB 4.05Å; F437-F1297 AromaticContact CZ-CD2 3.67Å; F437-F1297 HydrophobicContact CZ-CD2 3.67Å; F437-F1297 HydrophobicContact CZ-CE2 4.33Å; F437-F1297 AromaticContact CZ-CG 3.99Å; F437-F1297 HydrophobicContact CZ-CG 3.99Å; S1177-F1297 PolarHBondContact OG-O 3.4Å; W1178-F1297 AromaticContact CE2-CD1 3.72Å; W1178-F1297 HydrophobicContact CH2-CD1 4.28Å; W1178-F1297 HydrophobicContact CH2-CE1 4.4Å; W1178-F1297 HydrophobicContact CZ2-CB 3.98Å; W1178-F1297 AromaticContact CZ2-CD1 3.35Å; W1178-F1297 HydrophobicContact CZ2-CD1 3.35Å; W1178-F1297 HydrophobicContact CZ2-CD2 4.47Å; W1178-F1297 AromaticContact CZ2-CE1 3.88Å; W1178-F1297 HydrophobicContact CZ2-CE1 3.88Å; W1178-F1297 AromaticContact CZ2-CG 3.71Å; W1178-F1297 HydrophobicContact CZ2-CG 3.71Å; W1178-F1297 AromaticContact NE1-CD1 3.79Å; W1178-F1297 PolarHBondContact NE1-O 3.45Å; L1207-F1297 HydrophobicContact CD2-CD1 4.19Å; L1207-F1297 HydrophobicContact CD2-CE1 4Å; L1210-F1297 HydrophobicContact CD2-CD1 4.49Å; F1297-G1299 PolarHBondContact O-N 2.98Å
1298G74.1Confident59.2Low12 Ų1252 Ų5212%0.12426%0.26CS..THydrogen-bonded Turntrans-75.6-6.7175.100000113.8S1177 N1296S1177-G1298 WeakPolarHBondContact CB-O 3.33Å; N1296-G1298 VanDerWaalsContact C-N 3.35Å; N1296-G1298 PolarHBondContact O-N 3.08Å; N1296-G1298 WeakPolarHBondContact OD1-CA 3.38Å; N1296-G1298 PolarHBondContact OD1-N 3.05Å
1299G69.2Low58Low3 Ų353.9 Ų53.93%0.03127%0.273CS..THydrogen-bonded Turntrans67.8-163.5-171.600000111.9L1211 N1296 F1297 S1301L1211-G1299 WeakPolarHBondContact O-CA 3.48Å; N1296-G1299 PolarHBondContact O-N 3.46Å; F1297-G1299 PolarHBondContact O-N 2.98Å; G1299-S1301 PolarHBondContact O-N 3.45Å
1300L61.5Low56.6Low25 Ų2552.6 Ų52.613%0.13127%0.27CS..THydrogen-bonded Turntrans-8824.5173.3-153.594.5000112.7L1211 L1212 V1292 I1293 L1294 K1302 S1318L1211-L1300 PolarHBondContact O-N 3.23Å; L1212-L1300 HydrophobicContact CG-CB 4.28Å; V1292-L1300 HydrophobicContact CG1-CD1 3.79Å; V1292-L1300 HydrophobicContact CG1-CD2 3.64Å; V1292-L1300 HydrophobicContact CG1-CG 4.19Å; I1293-L1300 WeakPolarHBondContact O-CD1 3.23Å; L1294-L1300 HydrophobicContact CD2-CB 4.15Å; L1300-K1302 VanDerWaalsContact C-N 3.31Å; L1300-K1302 PolarHBondContact O-N 3.04Å; L1300-S1318 VanDerWaalsContact O-CB 3.32Å; L1300-S1318 WeakPolarHBondContact O-CB 3.48Å; L1300-S1318 PolarHBondContact O-OG 3.2Å
1301S49Very low54.6Low14 Ų1455.8 Ų55.810%0.09830%0.297CS..SBendtrans-64-35.8-177.2-170.30000111.8E1213 G1299 G1317 S1318 R1448E1213-S1301 WeakPolarHBondContact OE1-CB 3.22Å; E1213-S1301 PolarHBondContact OE1-OG 2.67Å; G1299-S1301 PolarHBondContact O-N 3.45Å; S1301-G1317 CarbonylContact O-C 3.59Å; S1301-G1317 WeakPolarHBondContact O-CA 3.24Å; S1301-S1318 PolarHBondContact O-N 3.08Å; S1301-R1448 PolarHBondContact OG-NH2 2.97Å
1302K42.3Very low52.6Low139 Ų13957.4 Ų57.460%0.60431%0.31SS*.SBendtrans-121.9108.3176.3-75.5173178.6166.50110.3L1300 R1304L1300-K1302 VanDerWaalsContact C-N 3.31Å; L1300-K1302 PolarHBondContact O-N 3.04Å; K1302-R1304 PolarHBondContact O-N 3.21Å
1303S35.3Very low50.4Low32 Ų3264.1 Ų64.122%0.22434%0.335CS..  trans-66.4133.2173.6-172.90000110.7D1280 G1281 S1305D1280-S1303 VanDerWaalsContact O-CB 3.29Å; D1280-S1303 WeakPolarHBondContact O-CB 3.5Å; D1280-S1303 PolarHBondContact O-OG 2.64Å; G1281-S1303 WeakPolarHBondContact CA-OG 3.37Å; G1281-S1303 PolarHBondContact N-OG 3.17Å; S1303-S1305 PolarHBondContact O-N 3.44Å
1304R33.1Very low48.2Very low165 Ų16564.6 Ų64.662%0.62334%0.34SS*.  trans-79.361.1167-172.2175.1-77.2-176.6-7108.8H59 D441 K1302 L1306H59-R1304 PolarHBondContact NE2-NH2 3.32Å; D441-R1304 IonicContact OD2-NH2 3.19Å; D441-R1304 PolarHBondContact OD2-NH2 3.22Å; K1302-R1304 PolarHBondContact O-N 3.21Å; R1304-L1306 PolarHBondContact O-N 3.09Å
1305S29.9Very low45.8Very low25 Ų2571.6 Ų71.618%0.17538%0.378CS..  trans-60.4136-179.4-173.70000110.7D1280 S1303 L1307D1280-S1305 WeakPolarHBondContact OD1-CB 3.49Å; D1280-S1305 PolarHBondContact OD1-OG 3.48Å; S1303-S1305 PolarHBondContact O-N 3.44Å; S1305-L1307 PolarHBondContact O-N 3.37Å; S1305-L1307 PolarHBondContact OG-N 3.16Å
1306L27.6Very low43.5Very low142 Ų14274 Ų7474%0.74339%0.386SS*.SBendtrans-91.530.5171.6-64.2171.6000110.8R1304R1304-L1306 PolarHBondContact O-N 3.09Å
1307L28.3Very low41.5Very low115 Ų11571.9 Ų71.960%0.60238%0.379SS*.  trans-140.780.4175.8-66.1174.1000109.7S1305 N1309 F1310S1305-L1307 PolarHBondContact O-N 3.37Å; S1305-L1307 PolarHBondContact OG-N 3.16Å; L1307-N1309 PolarHBondContact O-N 2.96Å; L1307-F1310 PolarHBondContact O-N 3.33Å
1308P28.7Very low39.9Very low51 Ų5171.9 Ų71.933%0.33138%0.38SS..Hα-helixtrans-61.8-17.7-170.1-2230.6000115.4D795 F1310 A1311D795-P1308 WeakPolarHBondContact OD1-CD 3.25Å; P1308-F1310 PolarHBondContact O-N 3.15Å; P1308-A1311 PolarHBondContact O-N 3.22Å
1309N30.7Very low39.1Very low113 Ų11372.2 Ų72.260%0.60438%0.378SS*.Hα-helixtrans-62.7-21.3-177.5-75-10.2000114.4T794 L1307T794-N1309 WeakPolarHBondContact CG2-OD1 3.47Å; T794-N1309 PolarHBondContact OG1-OD1 3.05Å; L1307-N1309 PolarHBondContact O-N 2.96Å
1310F31.9Very low39.2Very low85 Ų8572 Ų7237%0.37338%0.377SS..Hα-helixtrans-88.9-43.3177.3-133.9-90.5000112.4L1307 P1308 S1312 R1313 L1319L1307-F1310 PolarHBondContact O-N 3.33Å; P1308-F1310 PolarHBondContact O-N 3.15Å; F1310-S1312 PolarHBondContact O-N 3.12Å; F1310-S1312 VanDerWaalsContact O-N 3.09Å; F1310-R1313 PolarHBondContact O-N 3.14Å; F1310-R1313 VanDerWaalsContact O-N 3.14Å; F1310-L1319 HydrophobicContact CE1-CD1 4.1Å; F1310-L1319 HydrophobicContact CE1-CD2 3.91Å; F1310-L1319 HydrophobicContact CZ-CD2 4.42Å
1311A29Very low39.8Very low69 Ų6972.2 Ų72.257%0.5738%0.377SS*.Hα-helixtrans-61.1-23-174.800000114.5P1308 R1313P1308-A1311 PolarHBondContact O-N 3.22Å; A1311-R1313 VanDerWaalsContact C-N 3.28Å; A1311-R1313 PolarHBondContact O-N 3.17Å
1312S32.6Very low41.2Very low82 Ų8271.6 Ų71.657%0.57337%0.372SS*.THydrogen-bonded Turntrans-75.8-7.7179-172.10000114.6F1310F1310-S1312 PolarHBondContact O-N 3.12Å; F1310-S1312 VanDerWaalsContact O-N 3.09Å
1313R33Very low42.7Very low143 Ų14365 Ų6554%0.5434%0.344SS..THydrogen-bonded Turntrans-116-7.7-174-128.9176.5-176.9-174.1-2.4115.1E750 F1310 A1311E750-R1313 IonicContact OE1-CZ 3.79Å; E750-R1313 IonicContact OE1-NH1 3.22Å; E750-R1313 PolarHBondContact OE1-NH1 2.81Å; E750-R1313 IonicContact OE1-NH2 3.4Å; E750-R1313 PolarHBondContact OE1-NH2 3.35Å; F1310-R1313 PolarHBondContact O-N 3.14Å; F1310-R1313 VanDerWaalsContact O-N 3.14Å; A1311-R1313 VanDerWaalsContact C-N 3.28Å; A1311-R1313 PolarHBondContact O-N 3.17Å
1314S31.3Very low44.8Very low31 Ų3164.7 Ų64.722%0.21734%0.339CS..  trans-138.1122.2178.759.10000112.4F1316S1314-F1316 PolarHBondContact O-N 3.27Å
1315N35.6Very low47.1Very low147 Ų14759 Ų5979%0.78632%0.319SS*.  trans-70-9.4165.3-74.86.4000112.6
1316F36.8Very low49Very low96 Ų9661.2 Ų61.242%0.42133%0.332SS..SBendtrans-66.9155.8176.6-62.9-60.2000112.3H1215 L1249 S1314H1215-F1316 AromaticContact CE1-CD1 3.45Å; H1215-F1316 VanDerWaalsContact CE1-CD1 3.45Å; H1215-F1316 WeakPolarHBondContact CE1-CD1 3.46Å; H1215-F1316 AromaticContact NE2-CD1 3.65Å; L1249-F1316 HydrophobicContact CD1-CE1 3.81Å; L1249-F1316 HydrophobicContact CD1-CZ 4.19Å; L1249-F1316 HydrophobicContact CD2-CE1 4.22Å; L1249-F1316 HydrophobicContact CD2-CE2 4.44Å; L1249-F1316 HydrophobicContact CD2-CZ 3.82Å; S1314-F1316 PolarHBondContact O-N 3.27Å
1317G44.5Very low51.3Low18 Ų1860.2 Ų60.219%0.18633%0.328CS..  trans-75.6-154.7-171.600000115H1215 S1301 L1319H1215-G1317 PolarHBondContact CD2-N 2.89Å; S1301-G1317 CarbonylContact O-C 3.59Å; S1301-G1317 WeakPolarHBondContact O-CA 3.24Å; G1317-L1319 PolarHBondContact O-N 2.68Å; G1317-L1319 VanDerWaalsContact O-N 3.13Å
1318S53.6Low53.5Low2 Ų256.7 Ų56.71%0.01431%0.307CS..EExtended strand (participates in β ladder)trans-51.7121.2178.465.60000111.7E1213 G1214 H1215 L1300 S1301E1213-S1318 PolarHBondContact O-OG 2.59Å; G1214-S1318 CarbonylContact C-O 3.22Å; G1214-S1318 WeakPolarHBondContact CA-O 3.47Å; H1215-S1318 PolarHBondContact N-O 2.96Å; L1300-S1318 VanDerWaalsContact O-CB 3.32Å; L1300-S1318 WeakPolarHBondContact O-CB 3.48Å; L1300-S1318 PolarHBondContact O-OG 3.2Å; S1301-S1318 PolarHBondContact O-N 3.08Å
1319L57.1Low55.3Low19 Ų1957 Ų5710%0.09930%0.304CS..EExtended strand (participates in β ladder)trans-101.1129.1-173.2-160.9132.7000110.2H1215 F1217 D1280 F1310 G1317 Q1321H1215-L1319 WeakPolarHBondContact O-CA 3.34Å; F1217-L1319 HydrophobicContact CD2-CD1 3.91Å; F1217-L1319 HydrophobicContact CD2-CD2 4.44Å; F1217-L1319 HydrophobicContact CD2-CG 4.09Å; F1217-L1319 HydrophobicContact CE2-CD1 3.85Å; F1217-L1319 HydrophobicContact CE2-CG 4.42Å; D1280-L1319 PolarHBondContact N-O 2.64Å; F1310-L1319 HydrophobicContact CE1-CD1 4.1Å; F1310-L1319 HydrophobicContact CE1-CD2 3.91Å; F1310-L1319 HydrophobicContact CZ-CD2 4.42Å; G1317-L1319 PolarHBondContact O-N 2.68Å; G1317-L1319 VanDerWaalsContact O-N 3.13Å; L1319-Q1321 HydrophobicContact CD2-CG 3.85Å
1320L72.5Confident57Low0 Ų061 Ų610%032%0.319CS..EExtended strand (participates in β ladder)trans-120.2118.3-173.2-164.9164000109.1H1215 C1216 F1217 F1230 F1252 L1263 V1276 L1279 M1290 V1322H1215-L1320 PolarHBondContact O-N 3.31Å; C1216-L1320 WeakPolarHBondContact CA-O 3.28Å; F1217-L1320 PolarHBondContact N-O 2.59Å; F1230-L1320 HydrophobicContact CE1-CD1 3.96Å; F1230-L1320 HydrophobicContact CE1-CD2 4.3Å; F1230-L1320 HydrophobicContact CE2-CD1 4.39Å; F1230-L1320 HydrophobicContact CZ-CD1 3.71Å; F1230-L1320 HydrophobicContact CZ-CD2 3.76Å; F1230-L1320 HydrophobicContact CZ-CG 4.41Å; F1252-L1320 HydrophobicContact CE1-CB 4.35Å; F1252-L1320 HydrophobicContact CE1-CD1 4.23Å; F1252-L1320 HydrophobicContact CZ-CD1 3.87Å; L1263-L1320 HydrophobicContact CD2-CD1 3.85Å; V1276-L1320 HydrophobicContact CG1-CD2 3.8Å; V1276-L1320 HydrophobicContact CG1-CG 4.47Å; L1279-L1320 HydrophobicContact CB-CG 4.25Å; L1279-L1320 HydrophobicContact CD1-CB 3.99Å; L1279-L1320 HydrophobicContact CD1-CD1 4.34Å; L1279-L1320 HydrophobicContact CD1-CG 4.19Å; L1279-L1320 HydrophobicContact CD2-CD1 4.49Å; M1290-L1320 HydrophobicContact CE-CD1 4.02Å; M1290-L1320 HydrophobicContact CE-CG 4.33Å; L1320-V1322 HydrophobicContact CD2-CG1 3.58Å
1321Q73.6Confident58.7Low29 Ų2960.1 Ų60.114%0.13632%0.316CS..EExtended strand (participates in β ladder)trans-102.4117.9-179.6-65.5174.7-6.600110.2N736 E1219 N1277 S1278 L1319N736-Q1321 PolarHBondContact ND2-NE2 3.37Å; E1219-Q1321 HydrophobicContact CB-CB 4.47Å; N1277-Q1321 PolarHBondContact N-O 3.49Å; S1278-Q1321 PolarHBondContact N-O 3.48Å; S1278-Q1321 PolarHBondContact O-N 2.95Å; S1278-Q1321 PolarHBondContact OG-OE1 3.04Å; L1319-Q1321 HydrophobicContact CD2-CG 3.85Å
1322V78.3Confident60.5Low0 Ų060.9 Ų60.90%031%0.308CS..EExtended strand (participates in β ladder)trans-105.5164168-61.30000109.7F1217 D1218 E1219 P1225 L1228 F1230 Y1274 K1275 V1276 L1320F1217-V1322 PolarHBondContact O-N 3.15Å; D1218-V1322 CarbonylContact C-O 3.5Å; D1218-V1322 WeakPolarHBondContact CA-O 3.45Å; E1219-V1322 WeakPolarHBondContact CB-O 3.42Å; E1219-V1322 PolarHBondContact N-O 3.16Å; P1225-V1322 HydrophobicContact CB-CG2 4.48Å; P1225-V1322 HydrophobicContact CG-CG2 3.9Å; L1228-V1322 HydrophobicContact CD2-CG1 4Å; L1228-V1322 HydrophobicContact CD2-CG2 4.05Å; F1230-V1322 HydrophobicContact CZ-CG1 4.48Å; Y1274-V1322 HydrophobicContact CD1-CB 3.8Å; Y1274-V1322 HydrophobicContact CD1-CG2 3.47Å; Y1274-V1322 VanDerWaalsContact CD1-CG2 3.47Å; Y1274-V1322 HydrophobicContact CE1-CG2 3.74Å; Y1274-V1322 HydrophobicContact CG-CG2 4.36Å; K1275-V1322 CarbonylContact O-C 3.58Å; K1275-V1322 VanDerWaalsContact O-CA 3.25Å; K1275-V1322 WeakPolarHBondContact O-CA 3.49Å; K1275-V1322 WeakPolarHBondContact O-CB 3.49Å; V1276-V1322 HydrophobicContact CG1-CG1 4.42Å; V1276-V1322 HydrophobicContact CG2-CG1 4.19Å; L1320-V1322 HydrophobicContact CD2-CG1 3.58Å
1323A74.2Confident62.5Low2 Ų257.6 Ų57.62%0.01728%0.284CS..EExtended strand (participates in β ladder)trans-142.4146.7169.400000109.9E1219 V1220 Y1274 K1275 N1277E1219-A1323 HydrophobicContact CB-CB 4.38Å; V1220-A1323 HydrophobicContact CG2-CB 4.4Å; Y1274-A1323 VanDerWaalsContact CD1-C 3.5Å; K1275-A1323 WeakPolarHBondContact CG-O 3.44Å; K1275-A1323 PolarHBondContact N-O 3.32Å; K1275-A1323 PolarHBondContact O-N 3.03Å; N1277-A1323 WeakPolarHBondContact ND2-CB 3.34Å
1324K79.2Confident64.3Low25 Ų2551.3 Ų51.311%0.10926%0.26CS..EExtended strand (participates in β ladder)trans-60.8147169.1-60.5-167.5-174.6-168.50111I1273 Y1274 F1329 E1331I1273-K1324 HydrophobicContact CG2-CD 4.22Å; I1273-K1324 HydrophobicContact CG2-CG 4.05Å; I1273-K1324 CarbonylContact O-C 3.54Å; I1273-K1324 WeakPolarHBondContact O-CA 3.33Å; Y1274-K1324 HydrophobicContact CD1-CG 4.34Å; Y1274-K1324 HydrophobicContact CE1-CG 3.7Å; Y1274-K1324 HydrophobicContact CE2-CG 4.24Å; Y1274-K1324 WeakPolarHBondContact OH-CE 3.42Å; K1324-F1329 HydrophobicContact CB-CD1 4.34Å; K1324-F1329 HydrophobicContact CB-CD2 4.37Å; K1324-F1329 HydrophobicContact CB-CE1 3.96Å; K1324-F1329 HydrophobicContact CB-CE2 3.98Å; K1324-F1329 HydrophobicContact CB-CZ 3.73Å; K1324-F1329 HydrophobicContact CD-CD1 4.41Å; K1324-F1329 WeakPolarHBondContact CD-O 3.39Å; K1324-F1329 PolarHBondContact NZ-O 3.31Å; K1324-F1329 WeakPolarHBondContact O-CE2 3.27Å; K1324-E1331 PolarHBondContact NZ-O 2.83Å
1325K81.3Confident65.7Low46 Ų4651.9 Ų51.920%0.226%0.264CS..  trans-73.8152.1173.8-62.6-172-167.8177.60110.5K1271 E1272 I1273 Y1274 K1275 D1327 K1328 F1329K1271-K1325 VanDerWaalsContact O-CE 3.31Å; K1271-K1325 WeakPolarHBondContact O-CE 3.41Å; K1271-K1325 PolarHBondContact O-NZ 3.19Å; E1272-K1325 WeakPolarHBondContact O-CD 3.23Å; I1273-K1325 PolarHBondContact O-N 2.76Å; Y1274-K1325 VanDerWaalsContact O-CE 3.23Å; Y1274-K1325 WeakPolarHBondContact O-CE 3.22Å; K1275-K1325 HydrophobicContact CB-CG 4.49Å; K1275-K1325 HydrophobicContact CG-CG 4.47Å; K1325-D1327 VanDerWaalsContact CB-OD1 3.29Å; K1325-D1327 WeakPolarHBondContact CB-OD1 3.4Å; K1325-D1327 PolarHBondContact O-N 2.77Å; K1325-D1327 VanDerWaalsContact O-N 3.09Å; K1325-K1328 HydrophobicContact CB-CB 4.38Å; K1325-K1328 PolarHBondContact O-N 2.71Å; K1325-F1329 VanDerWaalsContact O-CD2 3.25Å; K1325-F1329 WeakPolarHBondContact O-CD2 3.25Å; K1325-F1329 VanDerWaalsContact O-CE2 3.3Å; K1325-F1329 WeakPolarHBondContact O-CE2 3.48Å
1326P69Low66.3Low70 Ų7050.1 Ų50.146%0.45526%0.258SS..THydrogen-bonded Turntrans-58-29.1-170.3-2535.6000114.5F589F589-P1326 HydrophobicContact CB-CB 4.03Å; F589-P1326 HydrophobicContact CB-CG 4.38Å
1327D75.4Confident66.5Low122 Ų12249 Ų4965%0.65226%0.262SS*.THydrogen-bonded Turntrans-85.3-3.217955.3-54.2000114.2K1325K1325-D1327 VanDerWaalsContact CB-OD1 3.29Å; K1325-D1327 WeakPolarHBondContact CB-OD1 3.4Å; K1325-D1327 PolarHBondContact O-N 2.77Å; K1325-D1327 VanDerWaalsContact O-N 3.09Å
1328K75.9Confident66.3Low40 Ų4051.8 Ų51.817%0.17429%0.291CS..  trans-128.219.5-167.2-71-68.9-169.5169.30114.4I1273 K1325 E1331I1273-K1328 HydrophobicContact CG1-CD 4.36Å; I1273-K1328 HydrophobicContact CG2-CB 4.3Å; K1325-K1328 HydrophobicContact CB-CB 4.38Å; K1325-K1328 PolarHBondContact O-N 2.71Å; K1328-E1331 VanDerWaalsContact CD-CD 3.46Å; K1328-E1331 HydrophobicContact CD-CG 4.35Å; K1328-E1331 WeakPolarHBondContact CD-OE1 3.47Å; K1328-E1331 WeakPolarHBondContact CD-OE2 3.49Å; K1328-E1331 IonicContact NZ-OE1 3.31Å; K1328-E1331 PolarHBondContact NZ-OE1 2.87Å; K1328-E1331 IonicContact NZ-OE2 3.78Å; K1328-E1331 PolarHBondContact NZ-OE2 2.85Å; K1328-E1331 PolarHBondContact O-N 3.48Å
1329F66.7Low65.3Low58 Ų5858.8 Ų58.825%0.25432%0.324SS..SBendtrans-65-43-171.9-97.1-84.1000114.8N590 V1220 K1324 K1325 E1331N590-F1329 HydrophobicContact CB-CE2 4.16Å; N590-F1329 HydrophobicContact CB-CZ 4.1Å; N590-F1329 VanDerWaalsContact CG-CE2 3.4Å; N590-F1329 VanDerWaalsContact ND2-CE2 3.26Å; N590-F1329 WeakPolarHBondContact ND2-CE2 3.23Å; N590-F1329 WeakPolarHBondContact ND2-CZ 3.28Å; V1220-F1329 HydrophobicContact CB-CE1 4.19Å; V1220-F1329 HydrophobicContact CG1-CE1 3.97Å; V1220-F1329 HydrophobicContact CG2-CE1 4.04Å; V1220-F1329 HydrophobicContact CG2-CZ 4.02Å; K1324-F1329 HydrophobicContact CB-CD1 4.34Å; K1324-F1329 HydrophobicContact CB-CD2 4.37Å; K1324-F1329 HydrophobicContact CB-CE1 3.96Å; K1324-F1329 HydrophobicContact CB-CE2 3.98Å; K1324-F1329 HydrophobicContact CB-CZ 3.73Å; K1324-F1329 HydrophobicContact CD-CD1 4.41Å; K1324-F1329 WeakPolarHBondContact CD-O 3.39Å; K1324-F1329 PolarHBondContact NZ-O 3.31Å; K1324-F1329 WeakPolarHBondContact O-CE2 3.27Å; K1325-F1329 VanDerWaalsContact O-CD2 3.25Å; K1325-F1329 WeakPolarHBondContact O-CD2 3.25Å; K1325-F1329 VanDerWaalsContact O-CE2 3.3Å; K1325-F1329 WeakPolarHBondContact O-CE2 3.48Å; F1329-E1331 VanDerWaalsContact C-N 3.34Å
1330E66Low64.2Low196 Ų19666.7 Ų66.792%0.91636%0.36SS*.SBendtrans-79.6-15.7-179.2-64.1179.3-169.500112.9E1332E1330-E1332 PolarHBondContact O-N 2.96Å
1331E67.2Low62.3Low67 Ų6772.6 Ų72.631%0.31339%0.392SS..  trans-71122.4177.8-85-175.9-146.900111.9R1269 I1273 K1324 K1328 F1329R1269-E1331 IonicContact NE-OE2 2.8Å; I1273-E1331 HydrophobicContact CD1-CB 3.97Å; I1273-E1331 HydrophobicContact CG1-CB 4.21Å; K1324-E1331 PolarHBondContact NZ-O 2.83Å; K1328-E1331 VanDerWaalsContact CD-CD 3.46Å; K1328-E1331 HydrophobicContact CD-CG 4.35Å; K1328-E1331 WeakPolarHBondContact CD-OE1 3.47Å; K1328-E1331 WeakPolarHBondContact CD-OE2 3.49Å; K1328-E1331 IonicContact NZ-OE1 3.31Å; K1328-E1331 PolarHBondContact NZ-OE1 2.87Å; K1328-E1331 IonicContact NZ-OE2 3.78Å; K1328-E1331 PolarHBondContact NZ-OE2 2.85Å; K1328-E1331 PolarHBondContact O-N 3.48Å; F1329-E1331 VanDerWaalsContact C-N 3.34Å
1332E66.4Low60.6Low86 Ų8680 Ų8040%0.40243%0.427SS..  trans-79.3145.3161.7-78.4-145.6-18000112.1R1226 R1269 E1330 L1334R1226-E1332 IonicContact CZ-OE2 2.8Å; R1226-E1332 IonicContact NE-OE2 2.81Å; R1226-E1332 IonicContact NH2-OE1 3.44Å; R1226-E1332 IonicContact NH2-OE2 3.71Å; R1226-E1332 PolarHBondContact NH2-OE2 2.75Å; R1269-E1332 PolarHBondContact NH2-O 2.95Å; E1330-E1332 PolarHBondContact O-N 2.96Å; E1332-L1334 VanDerWaalsContact C-N 3.34Å; E1332-L1334 VanDerWaalsContact OE2-O 3.09Å
1333L75.2Confident58.5Low13 Ų1388.8 Ų88.87%0.06847%0.467CS..SBendtrans-79.9-16.4174.4-165139.6000112.5R1226 G1227 L1228 I1273 Y1274 L1346R1226-L1333 WeakPolarHBondContact O-CD2 3.31Å; G1227-L1333 VanDerWaalsContact C-CD2 3.44Å; G1227-L1333 WeakPolarHBondContact O-CD2 3.46Å; L1228-L1333 HydrophobicContact CB-CD1 4.48Å; L1228-L1333 HydrophobicContact CD1-CD1 3.62Å; I1273-L1333 HydrophobicContact CD1-CB 4.31Å; Y1274-L1333 HydrophobicContact CD2-CD1 3.7Å; Y1274-L1333 HydrophobicContact CE2-CB 4.46Å; Y1274-L1333 HydrophobicContact CE2-CD1 3.86Å; L1333-L1346 HydrophobicContact CG-CD2 4.43Å; L1333-L1346 WeakPolarHBondContact O-CD1 3.2Å; L1333-L1346 WeakPolarHBondContact O-CD2 3.45Å
1334L71.1Confident56.7Low10 Ų1092 Ų925%0.05249%0.49CS..SBendtrans-142.386.4172.9-72.8-176.2000109.7R1226 E1332R1226-L1334 HydrophobicContact CG-CD1 4.26Å; R1226-L1334 PolarHBondContact NH2-O 3.33Å; E1332-L1334 VanDerWaalsContact C-N 3.34Å; E1332-L1334 VanDerWaalsContact OE2-O 3.09Å
1335P60.1Low55.1Low44 Ų4492.7 Ų92.729%0.28650%0.498SS..  trans-64.4137.9-176.226.1-34.3000112.2L1346P1335-L1346 HydrophobicContact CG-CD1 4.44Å
1336T48.2Very low53.6Low109 Ų10991.3 Ų91.367%0.66949%0.492SS*.  trans-95.1-19.2-170.40.90000115.7
1337S41.4Very low52.8Low72 Ų7289.2 Ų89.250%0.50348%0.475SS..  trans-85.4151.517549.90000111.7E1339S1337-E1339 VanDerWaalsContact C-N 3.34Å; S1337-E1339 WeakPolarHBondContact CB-OE2 3.48Å; S1337-E1339 PolarHBondContact OG-OE2 2.85Å
1338G40.5Very low51.4Low77 Ų7786.8 Ų86.879%0.79446%0.46SS*.  trans-98.140.6173.900000112.2
1339E32.9Very low49.8Very low149 Ų14987.1 Ų87.170%0.69647%0.467SS*.  trans-72.5136.7178-74158.8134.800110S1337 D1341S1337-E1339 VanDerWaalsContact C-N 3.34Å; S1337-E1339 WeakPolarHBondContact CB-OE2 3.48Å; S1337-E1339 PolarHBondContact OG-OE2 2.85Å; E1339-D1341 PolarHBondContact O-N 2.9Å
1340E33.1Very low48.8Very low185 Ų18585.8 Ų85.886%0.86446%0.463SS*.  trans-84.733.9-158.3-59.5-179.5130.100113.8E1342E1340-E1342 PolarHBondContact O-N 2.95Å
1341D33.8Very low47.6Very low125 Ų12578.3 Ų78.367%0.66843%0.432SS*.  trans-73.991.3175.4-78.8-15.1000110.9E1339 E1343 S1344E1339-D1341 PolarHBondContact O-N 2.9Å; D1341-E1343 PolarHBondContact O-N 3.05Å; D1341-S1344 PolarHBondContact O-N 2.93Å; D1341-S1344 PolarHBondContact O-OG 3.4Å
1342E36.6Very low46.2Very low185 Ų18581.5 Ų81.586%0.86445%0.445SS*.THydrogen-bonded Turntrans-55.5-14.6-172.6-63.6-164108.800115.7E1340E1340-E1342 PolarHBondContact O-N 2.95Å
1343E34.8Very low44.9Very low183 Ų18385.3 Ų85.386%0.85546%0.461SS*.THydrogen-bonded Turntrans-96.8-12.9-175.2-59.3-153.9117.500115.4D1341 S1345D1341-E1343 PolarHBondContact O-N 3.05Å; E1343-S1345 PolarHBondContact O-N 3Å
1344S36Very low43.3Very low71 Ų7188.3 Ų88.350%0.49748%0.479SS..  trans-8610.1-161.5690000117.2R1269 D1341 L1346R1269-S1344 PolarHBondContact NH1-O 3.25Å; D1341-S1344 PolarHBondContact O-N 2.93Å; D1341-S1344 PolarHBondContact O-OG 3.4Å; S1344-L1346 PolarHBondContact O-N 3.28Å
1345S46.6Very low41.5Very low38 Ų3890.9 Ų90.927%0.26650%0.496SS..  trans-78112.6-161-162.80000116.1E1343 W1347 Q1348E1343-S1345 PolarHBondContact O-N 3Å; S1345-W1347 PolarHBondContact O-N 3.2Å; S1345-Q1348 PolarHBondContact O-N 3.21Å
1346L49.8Very low40.5Very low17 Ų1797.8 Ų97.89%0.08952%0.521CS..THydrogen-bonded Turntrans-42.7-35.9168.1-97.7114.6000114.7R1269 L1333 P1335 S1344R1269-L1346 HydrophobicContact CB-CD2 3.87Å; R1269-L1346 HydrophobicContact CB-CG 4.07Å; R1269-L1346 HydrophobicContact CG-CD2 3.95Å; R1269-L1346 HydrophobicContact CG-CG 3.98Å; L1333-L1346 HydrophobicContact CG-CD2 4.43Å; L1333-L1346 WeakPolarHBondContact O-CD1 3.2Å; L1333-L1346 WeakPolarHBondContact O-CD2 3.45Å; P1335-L1346 HydrophobicContact CG-CD1 4.44Å; S1344-L1346 PolarHBondContact O-N 3.28Å
1347W52.1Low40.1Very low26 Ų26102.1 Ų102.110%0.09853%0.531CS..THydrogen-bonded Turntrans-91.9-8.4-172.7-5889.7000113S1345 I1350 S1351 K1548 R1551S1345-W1347 PolarHBondContact O-N 3.2Å; W1347-I1350 HydrophobicContact CD2-CD1 4.3Å; W1347-I1350 HydrophobicContact CE3-CD1 3.5Å; W1347-I1350 VanDerWaalsContact CE3-CD1 3.5Å; W1347-I1350 HydrophobicContact CZ3-CD1 3.76Å; W1347-S1351 PolarHBondContact O-N 2.83Å; W1347-K1548 HydrophobicContact CB-CD 3.81Å; W1347-K1548 HydrophobicContact CB-CG 4.14Å; W1347-K1548 HydrophobicContact CD2-CG 3.98Å; W1347-K1548 HydrophobicContact CG-CD 3.99Å; W1347-K1548 HydrophobicContact CG-CG 3.73Å; W1347-R1551 HydrophobicContact CH2-CB 3.93Å; W1347-R1551 HydrophobicContact CH2-CG 4.43Å; W1347-R1551 HydrophobicContact CZ2-CB 3.84Å
1348Q44.5Very low39.5Very low71 Ų71101.7 Ų101.733%0.33253%0.526SS..Hα-helixtrans-74.9-29170.5-84.1-171.422.300112.5S1345 I1350 S1351 K1352S1345-Q1348 PolarHBondContact O-N 3.21Å; Q1348-I1350 PolarHBondContact O-N 3.4Å; Q1348-S1351 WeakPolarHBondContact CA-OG 3.48Å; Q1348-S1351 PolarHBondContact O-N 3.15Å; Q1348-S1351 PolarHBondContact O-OG 3.06Å; Q1348-K1352 WeakPolarHBondContact O-CB 3.49Å; Q1348-K1352 VanDerWaalsContact O-CG 3.3Å; Q1348-K1352 WeakPolarHBondContact O-CG 3.31Å; Q1348-K1352 PolarHBondContact O-N 2.81Å
1349S43.3Very low38.9Very low47 Ų47104 Ų10433%0.32953%0.53SS..Hα-helixtrans-64.6-33.6173.2-59.70000111.5K1352 F1353S1349-K1352 PolarHBondContact O-N 3.15Å; S1349-F1353 PolarHBondContact O-N 3.23Å
1350I45.8Very low38.9Very low30 Ų30100.1 Ų100.115%0.15452%0.519CS..Hα-helixtrans-67-44.2174.3-64.7169000110.6W1347 Q1348W1347-I1350 HydrophobicContact CD2-CD1 4.3Å; W1347-I1350 HydrophobicContact CE3-CD1 3.5Å; W1347-I1350 VanDerWaalsContact CE3-CD1 3.5Å; W1347-I1350 HydrophobicContact CZ3-CD1 3.76Å; Q1348-I1350 PolarHBondContact O-N 3.4Å
1351S39.6Very low39Very low40 Ų40100.4 Ų100.428%0.2852%0.517SS..Hα-helixtrans-66.1-43.1173.758.80000112.1W1347 Q1348 F1353 V1354 T1355W1347-S1351 PolarHBondContact O-N 2.83Å; Q1348-S1351 WeakPolarHBondContact CA-OG 3.48Å; Q1348-S1351 PolarHBondContact O-N 3.15Å; Q1348-S1351 PolarHBondContact O-OG 3.06Å; S1351-F1353 PolarHBondContact O-N 3.33Å; S1351-V1354 PolarHBondContact O-N 2.86Å; S1351-T1355 WeakPolarHBondContact O-CG2 3.44Å; S1351-T1355 PolarHBondContact O-N 2.98Å; S1351-T1355 PolarHBondContact O-OG1 2.85Å; S1351-T1355 VanDerWaalsContact O-OG1 3.1Å
1352K38.3Very low39.4Very low134 Ų134101.5 Ų101.558%0.58352%0.523SS*.Hα-helixtrans-58.2-30.2-179.8-77.1170.9-178.6169.10113.9Q1348 S1349 T1355Q1348-K1352 WeakPolarHBondContact O-CB 3.49Å; Q1348-K1352 VanDerWaalsContact O-CG 3.3Å; Q1348-K1352 WeakPolarHBondContact O-CG 3.31Å; Q1348-K1352 PolarHBondContact O-N 2.81Å; S1349-K1352 PolarHBondContact O-N 3.15Å; K1352-T1355 WeakPolarHBondContact CA-OG1 3.34Å
1353F39.1Very low40.3Very low165 Ų16596.4 Ų96.472%0.72450%0.502SS*.Hα-helixtrans-74.5-38.5174.6-158.7-88.6000112.3S1349 S1351S1349-F1353 PolarHBondContact O-N 3.23Å; S1351-F1353 PolarHBondContact O-N 3.33Å
1354V40.9Very low41.8Very low76 Ų7691 Ų9146%0.46147%0.474SS..Hα-helixtrans-77.1-38.6178.71790000112S1351 K1356 F1357 T1358S1351-V1354 PolarHBondContact O-N 2.86Å; V1354-K1356 PolarHBondContact O-N 2.85Å; V1354-F1357 PolarHBondContact O-N 2.88Å; V1354-T1358 PolarHBondContact O-N 3.02Å
1355T34.8Very low43.6Very low65 Ų6592 Ų9240%0.39947%0.474SS..THydrogen-bonded Turntrans-69.8-2.6-179.557.90000113.8S1351 K1352 F1357 T1358S1351-T1355 WeakPolarHBondContact O-CG2 3.44Å; S1351-T1355 PolarHBondContact O-N 2.98Å; S1351-T1355 PolarHBondContact O-OG1 2.85Å; S1351-T1355 VanDerWaalsContact O-OG1 3.1Å; K1352-T1355 WeakPolarHBondContact CA-OG1 3.34Å; T1355-F1357 PolarHBondContact O-N 3.37Å; T1355-T1358 CarbonylContact C-O 3.46Å; T1355-T1358 WeakPolarHBondContact CA-O 3.49Å; T1355-T1358 WeakPolarHBondContact CB-O 3.34Å
1356K39.6Very low45.5Very low188 Ų18892.8 Ų92.882%0.81748%0.477SS*.THydrogen-bonded Turntrans-74.8-8.9165.3-148.2174-174178.60112.8V1354V1354-K1356 PolarHBondContact O-N 2.85Å
1357F39.3Very low47.5Very low200 Ų20092 Ų9288%0.87747%0.473SS*.THydrogen-bonded Turntrans-117.3-21.7169.4-93.3-89000114.1V1354 T1355V1354-F1357 PolarHBondContact O-N 2.88Å; T1355-F1357 PolarHBondContact O-N 3.37Å
1358T29.1Very low49.5Very low64 Ų6491.9 Ų91.939%0.39347%0.474SS..  trans-126.7117.6174.751.50000112.5V1354 T1355V1354-T1358 PolarHBondContact O-N 3.02Å; T1355-T1358 CarbonylContact C-O 3.46Å; T1355-T1358 WeakPolarHBondContact CA-O 3.49Å; T1355-T1358 WeakPolarHBondContact CB-O 3.34Å
1359S28Very low51.9Low125 Ų12588.5 Ų88.587%0.87446%0.458SS*.  trans-105.275.3-171.346.40000113.2
1360S31.3Very low54.3Low68 Ų6886.2 Ų86.248%0.47644%0.443SS..  trans-146.8153168.854.70000110.8
1361K35.1Very low56.4Low191 Ų19184.9 Ų84.983%0.8344%0.436SS*.SBendtrans-92.4133.1166.6-80.7-172.7173.5-172.20109.2D1363K1361-D1363 PolarHBondContact O-N 3.02Å
1362D43.7Very low58.4Low148 Ų14883.7 Ų83.779%0.79143%0.426SS*.SBendtrans52.746.6152.2-52-49.1000118.1
1363D54.8Low60Low77 Ų7777.4 Ų77.441%0.41240%0.399SS..  trans-124156.2151.1-141.7-31.9000112.2K1361 D1365 K1497K1361-D1363 PolarHBondContact O-N 3.02Å; D1363-D1365 PolarHBondContact O-N 2.91Å; D1363-K1497 WeakPolarHBondContact OD1-CE 3.34Å; D1363-K1497 IonicContact OD1-NZ 3.46Å; D1363-K1497 PolarHBondContact OD1-NZ 3.23Å; D1363-K1497 IonicContact OD2-NZ 3.63Å; D1363-K1497 PolarHBondContact OD2-NZ 3.32Å
1364Y66.6Low61.1Low69 Ų6969.7 Ų69.727%0.27137%0.366SS..  trans-94.785.3180-72.3-97.4000108.8V1366 K1478 M1493 M1496Y1364-V1366 PolarHBondContact O-N 2.9Å; Y1364-K1478 HydrophobicContact CE1-CB 3.88Å; Y1364-K1478 HydrophobicContact CE1-CD 4.41Å; Y1364-K1478 WeakPolarHBondContact OH-CE 3.42Å; Y1364-K1478 PolarHBondContact OH-NZ 2.81Å; Y1364-M1493 HydrophobicContact CG-CE 4.44Å; Y1364-M1493 WeakPolarHBondContact O-CE 3.38Å; Y1364-M1496 HydrophobicContact CD1-CG 4.14Å; Y1364-M1496 HydrophobicContact CG-CG 4.26Å
1365D72.7Confident61.8Low93 Ų9366.3 Ų66.350%0.49735%0.346SS..  trans-57.7-18.6-174.3-63.2-34.1000115.3D1363 P1410D1363-D1365 PolarHBondContact O-N 2.91Å; D1365-P1410 WeakPolarHBondContact O-CD 3.4Å
1366V86.7Confident62.5Low54 Ų5464.9 Ų64.933%0.32734%0.335SS..SBendtrans-135.5128-177-174.70000111Y1364 N1368 P1410 K1412Y1364-V1366 PolarHBondContact O-N 2.9Å; V1366-N1368 PolarHBondContact O-ND2 2.91Å; V1366-P1410 WeakPolarHBondContact CA-O 3.45Å; V1366-P1410 HydrophobicContact CG2-CB 4.42Å; V1366-K1412 HydrophobicContact CG1-CB 3.77Å
1367L92.5Very high62.7Low0 Ų058.9 Ų58.90%031%0.311CS..EExtended strand (participates in β ladder)trans-75.7120.6171.7175.664.7000110.1V1369 V1403 A1407 P1410 V1411 K1412 I1480 L1492 M1493 M1496L1367-V1369 HydrophobicContact CD2-CG2 4.25Å; L1367-V1369 HydrophobicContact CG-CG2 4.03Å; L1367-V1403 HydrophobicContact CD2-CG1 4.36Å; L1367-A1407 HydrophobicContact CD2-CB 4.31Å; L1367-P1410 PolarHBondContact N-O 2.88Å; L1367-V1411 HydrophobicContact CB-CG2 4.44Å; L1367-V1411 HydrophobicContact CD2-CG1 4.28Å; L1367-V1411 HydrophobicContact CD2-CG2 4.09Å; L1367-V1411 HydrophobicContact CG-CG1 4.46Å; L1367-K1412 PolarHBondContact O-N 3.35Å; L1367-I1480 HydrophobicContact CD1-CD1 3.92Å; L1367-L1492 HydrophobicContact CD1-CB 3.91Å; L1367-L1492 HydrophobicContact CD2-CB 3.92Å; L1367-M1493 HydrophobicContact CB-SD 4.05Å; L1367-M1493 HydrophobicContact CD1-SD 4.35Å; L1367-M1496 HydrophobicContact CD1-CB 4.23Å; L1367-M1496 HydrophobicContact CD1-SD 4.38Å
1368N94.2Very high62.8Low24 Ų2452 Ų5213%0.12828%0.28CS..EExtended strand (participates in β ladder)trans-106.8107.3-177-73-87.8000111.4V1366 W1414 I1479 I1480V1366-N1368 PolarHBondContact O-ND2 2.91Å; N1368-W1414 PolarHBondContact OD1-NE1 3.1Å; N1368-I1479 HydrophobicContact CB-CG2 4.15Å; N1368-I1480 PolarHBondContact O-N 2.79Å
1369V94.4Very high63.2Low0 Ų053.1 Ų53.10%028%0.281CS..EExtended strand (participates in β ladder)trans-110.2125.1-179.2-176.70000110.1L1367 V1403 V1411 K1412 F1413 W1414 I1480 V1482 L1492L1367-V1369 HydrophobicContact CD2-CG2 4.25Å; L1367-V1369 HydrophobicContact CG-CG2 4.03Å; V1369-V1403 HydrophobicContact CG2-CG1 4.49Å; V1369-V1411 HydrophobicContact CG2-CG1 4.39Å; V1369-K1412 PolarHBondContact N-O 2.92Å; V1369-F1413 HydrophobicContact CB-CD1 3.91Å; V1369-F1413 HydrophobicContact CB-CE1 4.05Å; V1369-F1413 HydrophobicContact CG1-CD1 4.1Å; V1369-F1413 HydrophobicContact CG1-CE1 4.09Å; V1369-F1413 HydrophobicContact CG2-CE1 4.46Å; V1369-F1413 CarbonylContact O-C 3.6Å; V1369-F1413 WeakPolarHBondContact O-CA 3.24Å; V1369-W1414 PolarHBondContact O-N 3.24Å; V1369-I1480 CarbonylContact C-O 3.59Å; V1369-I1480 WeakPolarHBondContact CA-O 3.49Å; V1369-V1482 HydrophobicContact CG1-CB 4.18Å; V1369-V1482 HydrophobicContact CG1-CG2 3.84Å; V1369-L1492 HydrophobicContact CG2-CD1 4.05Å
1370F94.2Very high63.6Low0 Ų057.4 Ų57.40%028%0.278CS..EExtended strand (participates in β ladder)trans-104.2135.7174.1174.3-133000110L1372 W1414 V1442 L1468 L1471 F1472 I1479 I1480 F1481 V1482F1370-L1372 HydrophobicContact CE1-CD1 4.12Å; F1370-L1372 HydrophobicContact CE2-CG 4.45Å; F1370-L1372 HydrophobicContact CZ-CD1 3.75Å; F1370-L1372 HydrophobicContact CZ-CG 4.08Å; F1370-W1414 WeakPolarHBondContact CA-O 3.47Å; F1370-W1414 HydrophobicContact CB-CB 4.41Å; F1370-W1414 HydrophobicContact CD2-CB 4.19Å; F1370-W1414 WeakPolarHBondContact CD2-O 3.46Å; F1370-V1442 HydrophobicContact CE2-CG2 4.32Å; F1370-L1468 HydrophobicContact CD1-CD2 4.43Å; F1370-L1468 HydrophobicContact CE1-CD2 4.19Å; F1370-L1471 HydrophobicContact CE1-CD2 4.45Å; F1370-L1471 HydrophobicContact CE2-CD2 4.05Å; F1370-L1471 HydrophobicContact CZ-CD2 3.73Å; F1370-F1472 HydrophobicContact CB-CE1 4.29Å; F1370-F1472 HydrophobicContact CB-CZ 4.09Å; F1370-F1472 AromaticContact CD1-CZ 3.77Å; F1370-F1472 HydrophobicContact CD1-CZ 3.77Å; F1370-F1472 AromaticContact CD2-CE1 3.91Å; F1370-F1472 HydrophobicContact CD2-CE1 3.91Å; F1370-F1472 AromaticContact CD2-CZ 3.74Å; F1370-F1472 HydrophobicContact CD2-CZ 3.74Å; F1370-F1472 HydrophobicContact CE1-CZ 4.11Å; F1370-F1472 HydrophobicContact CE2-CE1 4.43Å; F1370-F1472 HydrophobicContact CE2-CZ 4.08Å; F1370-F1472 HydrophobicContact CG-CE1 4.05Å; F1370-F1472 AromaticContact CG-CZ 3.6Å; F1370-F1472 HydrophobicContact CG-CZ 3.6Å; F1370-F1472 HydrophobicContact CZ-CZ 4.26Å; F1370-I1479 HydrophobicContact CB-CD1 4.35Å; F1370-I1480 PolarHBondContact N-O 2.89Å; F1370-F1481 HydrophobicContact CD1-CB 4.46Å; F1370-F1481 AromaticContact CD1-CD2 3.55Å; F1370-F1481 HydrophobicContact CD1-CD2 3.55Å; F1370-F1481 HydrophobicContact CD1-CE2 4.34Å; F1370-F1481 HydrophobicContact CD1-CG 4.46Å; F1370-F1481 AromaticContact CE1-CD2 3.97Å; F1370-F1481 HydrophobicContact CE1-CD2 3.97Å; F1370-F1481 HydrophobicContact CE1-CE2 4.41Å; F1370-F1481 HydrophobicContact CG-CD2 4.18Å; F1370-F1481 WeakPolarHBondContact O-CA 3.33Å; F1370-F1481 WeakPolarHBondContact O-CD2 3.04Å; F1370-V1482 PolarHBondContact O-N 2.94Å
1371S90.6Very high63.8Low1 Ų160.7 Ų60.71%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-145.5162175.8-1630000113.5M1399 W1414 V1482S1371-M1399 WeakPolarHBondContact OG-CE 3.38Å; S1371-W1414 PolarHBondContact N-O 2.6Å; S1371-V1482 VanDerWaalsContact CB-O 3.23Å; S1371-V1482 WeakPolarHBondContact CB-O 3Å; S1371-V1482 PolarHBondContact OG-O 2.92Å
1372L81.6Confident63.8Low15 Ų1557 Ų578%0.07927%0.273CS..  trans-136.5103.6-173.2-91.2158.3000109.8F1370 L1416 K1464 F1481F1370-L1372 HydrophobicContact CE1-CD1 4.12Å; F1370-L1372 HydrophobicContact CE2-CG 4.45Å; F1370-L1372 HydrophobicContact CZ-CD1 3.75Å; F1370-L1372 HydrophobicContact CZ-CG 4.08Å; L1372-L1416 HydrophobicContact CD2-CB 3.52Å; L1372-L1416 HydrophobicContact CD2-CD2 3.6Å; L1372-L1416 HydrophobicContact CD2-CG 4.16Å; L1372-L1416 HydrophobicContact CG-CB 4.35Å; L1372-K1464 HydrophobicContact CD1-CB 4.36Å; L1372-K1464 HydrophobicContact CD1-CG 3.45Å; L1372-K1464 VanDerWaalsContact CD1-CG 3.45Å; L1372-F1481 HydrophobicContact CB-CE2 4.18Å; L1372-F1481 HydrophobicContact CD1-CE2 4.1Å; L1372-F1481 HydrophobicContact CG-CE2 4.46Å
1373A70.5Confident63.4Low3 Ų361.7 Ų61.73%0.02528%0.279CS..  trans-106.9153.2172.800000110.6D1392 M1393 L1420 A1484A1373-D1392 HydrophobicContact CB-CB 4.35Å; A1373-M1393 HydrophobicContact CB-CG 3.99Å; A1373-L1420 HydrophobicContact CB-CD2 4.44Å; A1373-A1484 HydrophobicContact CB-CB 4.13Å
1374S63.6Low62.3Low3 Ų359.9 Ų59.92%0.02127%0.273CS..  trans-138178.3-178.789.60000112.6H1376 S1390 D1392 M1460S1374-H1376 VanDerWaalsContact C-N 3.29Å; S1374-H1376 WeakPolarHBondContact OG-CB 3.47Å; S1374-H1376 PolarHBondContact OG-N 2.66Å; S1374-S1390 PolarHBondContact O-OG 2.88Å; S1374-D1392 WeakPolarHBondContact CB-OD2 3.28Å; S1374-D1392 PolarHBondContact N-OD2 2.86Å; S1374-D1392 WeakPolarHBondContact O-CB 3.42Å; S1374-D1392 PolarHBondContact OG-OD2 2.92Å; S1374-M1460 VanDerWaalsContact CB-SD 3.54Å
1375G54.3Low60.8Low4 Ų460.9 Ų60.94%0.04130%0.295CS..SBendtrans-74.8-17.6168.700000113.9D1190 N1191 S1390D1190-G1375 VanDerWaalsContact OD2-CA 3.28Å; D1190-G1375 WeakPolarHBondContact OD2-CA 3.29Å; D1190-G1375 PolarHBondContact OD2-N 2.9Å; N1191-G1375 PolarHBondContact ND2-O 2.82Å; G1375-S1390 VanDerWaalsContact CA-CB 3.48Å; G1375-S1390 WeakPolarHBondContact O-CB 3.44Å
1376H49.2Very low59.1Low36 Ų3659.9 Ų59.917%0.16729%0.292CS..  -102.6-19.2-125.1-14426.5000115.9K266 T1169 S1374K266-H1376 PolarHBondContact NZ-O 3.1Å; T1169-H1376 PolarHBondContact OG1-CE1 2.89Å; S1374-H1376 VanDerWaalsContact C-N 3.29Å; S1374-H1376 WeakPolarHBondContact OG-CB 3.47Å; S1374-H1376 PolarHBondContact OG-N 2.66Å
1377L44.6Very low57.1Low61 Ų6161.1 Ų61.132%0.31929%0.291SS..SBendtrans-105.6-17.5-146.2-115.4149.7000118D1392L1377-D1392 WeakPolarHBondContact CB-OD1 3.48Å
1378Y41.9Very low55.1Low56 Ų5664.6 Ų64.622%0.2232%0.316CS..  trans-131.389.5-172.6-53-63.9000114.6V1391 D1392 K1588Y1378-V1391 HydrophobicContact CD2-CB 4.08Å; Y1378-V1391 HydrophobicContact CD2-CG1 3.72Å; Y1378-V1391 HydrophobicContact CG-CG1 4.2Å; Y1378-D1392 VanDerWaalsContact CD2-OD1 3.26Å; Y1378-D1392 WeakPolarHBondContact CD2-OD1 3.35Å; Y1378-D1392 VanDerWaalsContact CE2-OD1 3.31Å; Y1378-D1392 WeakPolarHBondContact CE2-OD1 3.47Å; Y1378-K1588 HydrophobicContact CD1-CB 4.13Å; Y1378-K1588 HydrophobicContact CD1-CD 4.46Å; Y1378-K1588 HydrophobicContact CD1-CG 4.3Å; Y1378-K1588 HydrophobicContact CE1-CB 3.98Å; Y1378-K1588 HydrophobicContact CE1-CD 3.51Å; Y1378-K1588 HydrophobicContact CE1-CG 3.75Å; Y1378-K1588 WeakPolarHBondContact OH-CD 3.35Å; Y1378-K1588 WeakPolarHBondContact OH-CE 3.39Å; Y1378-K1588 PolarHBondContact OH-NZ 3.33Å
1379E37.1Very low53.2Low88 Ų8864.4 Ų64.441%0.41131%0.314SS..  trans-102.7117.4173.3-70.7171.6168.600111.3K266 N1191K266-E1379 WeakPolarHBondContact CD-OE1 3.2Å; K266-E1379 WeakPolarHBondContact CE-OE1 3.35Å; K266-E1379 VanDerWaalsContact NZ-CD 3.26Å; K266-E1379 IonicContact NZ-OE1 3.9Å; K266-E1379 PolarHBondContact NZ-OE1 3.04Å; K266-E1379 IonicContact NZ-OE2 2.79Å; N1191-E1379 PolarHBondContact OD1-OE1 3.45Å
1380R36.4Very low51.7Low215 Ų21564.8 Ų64.881%0.81132%0.317SS*.SBendtrans-174.3-20.4143.8-113.9175.5173.5-161.1-8.1117.3
1381F35Very low50.3Low136 Ų13665.8 Ų65.860%0.59632%0.323SS*.  trans-126.6-4.3-164.4-87.9-77.9000117.9R1383 P1587F1381-R1383 VanDerWaalsContact C-N 3.28Å; F1381-R1383 PolarHBondContact O-N 3.48Å; F1381-P1587 HydrophobicContact CD2-CG 3.73Å; F1381-P1587 HydrophobicContact CE2-CG 3.8Å
1382L36.2Very low49.2Very low115 Ų11566.2 Ų66.260%0.60233%0.325SS*.  trans-78.783.3167.1-79.8168.7000109.3V1391L1382-V1391 HydrophobicContact CD1-CG2 4.12Å
1383R33.5Very low48.8Very low246 Ų24665.7 Ų65.793%0.92832%0.322SS*.  trans-102.6-10175.7-152.2-179.6-173.2-165.9-0.8113.3F1381F1381-R1383 VanDerWaalsContact C-N 3.28Å; F1381-R1383 PolarHBondContact O-N 3.48Å
1384S33.4Very low49.2Very low39 Ų3966.6 Ų66.627%0.27333%0.326SS..SBendtrans-80.6132.5168.1-175.50000110.2V1386 E1629S1384-V1386 PolarHBondContact O-N 3Å; S1384-V1386 WeakPolarHBondContact OG-CG2 3.42Å; S1384-E1629 WeakPolarHBondContact CB-OE1 3.31Å; S1384-E1629 PolarHBondContact OG-OE1 2.89Å; S1384-E1629 PolarHBondContact OG-OE2 2.93Å
1385A33.9Very low50.1Low90 Ų9067.2 Ų67.274%0.74433%0.33SS*.THydrogen-bonded Turntrans-78.522.8-17000000114.9
1386V38Very low51.5Low71 Ų7167 Ų6743%0.4333%0.328SS..THydrogen-bonded Turntrans-101.4-15.9-161-179.80000114.2S1384S1384-V1386 PolarHBondContact O-N 3Å; S1384-V1386 WeakPolarHBondContact OG-CG2 3.42Å
1387Y45.1Very low53.4Low80 Ų8065.3 Ų65.331%0.31432%0.32SS..  trans-129.7120.7-177.8-68.3-91.3000112.5
1388S49.8Very low55.5Low73 Ų7362.5 Ų62.551%0.5131%0.305SS..  trans-96.113.3176.562.80000114.4
1389E54.7Low57.8Low20 Ų2059.8 Ų59.89%0.09330%0.295CS..SBendtrans-100.6145.8178.4-71.2-174.1126.400112.7K1397 H1423E1389-K1397 IonicContact OE1-NZ 2.68Å; E1389-K1397 PolarHBondContact OE1-NZ 3.22Å; E1389-K1397 IonicContact OE2-NZ 2.62Å; E1389-K1397 PolarHBondContact OE2-NZ 3.06Å; E1389-H1423 HydrophobicContact CG-CB 4.4Å; E1389-H1423 IonicContact OE1-CE1 3.74Å; E1389-H1423 IonicContact OE1-CG 3.84Å; E1389-H1423 IonicContact OE1-ND1 2.69Å; E1389-H1423 PolarHBondContact OE1-ND1 3.1Å
1390S62Low60.4Low8 Ų855.6 Ų55.66%0.05628%0.275CS..  trans-74.9150.817968.90000113.5S1374 G1375 D1392 M1393 H1394S1374-S1390 PolarHBondContact O-OG 2.88Å; G1375-S1390 VanDerWaalsContact CA-CB 3.48Å; G1375-S1390 WeakPolarHBondContact O-CB 3.44Å; S1390-D1392 PolarHBondContact O-N 3.1Å; S1390-M1393 PolarHBondContact O-N 2.86Å; S1390-M1393 WeakPolarHBondContact OG-CG 3.49Å; S1390-H1394 PolarHBondContact O-N 2.68Å; S1390-H1394 VanDerWaalsContact O-N 3.14Å
1391V65.4Low63.1Low21 Ų2145.4 Ų45.413%0.12724%0.237CC..Hα-helixtrans-59-46.6-176.8179.50000112.3Y1378 L1382 M1393 H1394 C1395 L1589Y1378-V1391 HydrophobicContact CD2-CB 4.08Å; Y1378-V1391 HydrophobicContact CD2-CG1 3.72Å; Y1378-V1391 HydrophobicContact CG-CG1 4.2Å; L1382-V1391 HydrophobicContact CD1-CG2 4.12Å; V1391-M1393 PolarHBondContact O-N 2.69Å; V1391-H1394 PolarHBondContact O-N 3.43Å; V1391-H1394 VanDerWaalsContact O-N 3.12Å; V1391-C1395 PolarHBondContact O-N 2.92Å; V1391-C1395 PolarHBondContact O-SG 2.99Å; V1391-C1395 VanDerWaalsContact O-SG 3.35Å; V1391-L1589 HydrophobicContact CG1-CD1 3.71Å
1392D66.2Low65.9Low11 Ų1139 Ų396%0.05921%0.208CC..Hα-helixtrans-60.5-33.6-179.3-41.4-4.9000112.1A1373 S1374 L1377 Y1378 S1390 S1396A1373-D1392 HydrophobicContact CB-CB 4.35Å; S1374-D1392 WeakPolarHBondContact CB-OD2 3.28Å; S1374-D1392 PolarHBondContact N-OD2 2.86Å; S1374-D1392 WeakPolarHBondContact O-CB 3.42Å; S1374-D1392 PolarHBondContact OG-OD2 2.92Å; L1377-D1392 WeakPolarHBondContact CB-OD1 3.48Å; Y1378-D1392 VanDerWaalsContact CD2-OD1 3.26Å; Y1378-D1392 WeakPolarHBondContact CD2-OD1 3.35Å; Y1378-D1392 VanDerWaalsContact CE2-OD1 3.31Å; Y1378-D1392 WeakPolarHBondContact CE2-OD1 3.47Å; S1390-D1392 PolarHBondContact O-N 3.1Å; D1392-S1396 VanDerWaalsContact O-CB 3.31Å; D1392-S1396 WeakPolarHBondContact O-CB 3.48Å; D1392-S1396 PolarHBondContact O-N 3.17Å
1393M74.4Confident68.6Low3 Ų333.6 Ų33.62%0.01518%0.18CC..Hα-helixtrans-74.7-34.8179-67.4-173.3-149.800111.4A1373 S1390 V1391 S1396 K1397 Y1419 S1421 F1424A1373-M1393 HydrophobicContact CB-CG 3.99Å; S1390-M1393 PolarHBondContact O-N 2.86Å; S1390-M1393 WeakPolarHBondContact OG-CG 3.49Å; V1391-M1393 PolarHBondContact O-N 2.69Å; M1393-S1396 WeakPolarHBondContact O-CB 3.5Å; M1393-S1396 PolarHBondContact O-N 2.82Å; M1393-K1397 WeakPolarHBondContact O-CG 3.34Å; M1393-K1397 PolarHBondContact O-N 3.01Å; M1393-K1397 VanDerWaalsContact O-N 3.15Å; M1393-Y1419 WeakPolarHBondContact CE-O 3.26Å; M1393-S1421 PolarHBondContact SD-N 3.3Å; M1393-S1421 PolarHBondContact SD-OG 3.16Å; M1393-F1424 HydrophobicContact CB-CD2 3.84Å; M1393-F1424 HydrophobicContact CB-CE2 4.27Å; M1393-F1424 HydrophobicContact CB-CG 4.39Å; M1393-F1424 HydrophobicContact CG-CD2 4.41Å; M1393-F1424 WeakPolarHBondContact O-CE2 3.48Å; M1393-F1424 HydrophobicContact SD-CB 3.87Å; M1393-F1424 HydrophobicContact SD-CG 4.21Å
1394H79.4Confident71.5Confident22 Ų2223.8 Ų23.810%0.10215%0.146CC..Hα-helixtrans-68.2-44.3171-167.665.5000112.1S1390 V1391 S1396 K1397 I1398 D1603S1390-H1394 PolarHBondContact O-N 2.68Å; S1390-H1394 VanDerWaalsContact O-N 3.14Å; V1391-H1394 PolarHBondContact O-N 3.43Å; V1391-H1394 VanDerWaalsContact O-N 3.12Å; H1394-S1396 VanDerWaalsContact C-N 3.26Å; H1394-S1396 PolarHBondContact O-N 2.93Å; H1394-K1397 WeakPolarHBondContact O-CB 3.4Å; H1394-K1397 PolarHBondContact O-N 3.49Å; H1394-I1398 PolarHBondContact O-N 2.91Å; H1394-I1398 VanDerWaalsContact O-N 3.13Å; H1394-D1603 IonicContact CD2-OD1 3.55Å; H1394-D1603 IonicContact CE1-OD1 3.87Å; H1394-D1603 IonicContact NE2-OD1 3.72Å; H1394-D1603 PolarHBondContact NE2-OD1 2.67Å
1395C81.4Confident74.3Confident16 Ų1626.8 Ų26.811%0.10815%0.154CC..Hα-helixtrans-58.5-38.8171.8-65.90000111.6V1391 K1397 I1398 M1399 A1484V1391-C1395 PolarHBondContact O-N 2.92Å; V1391-C1395 PolarHBondContact O-SG 2.99Å; V1391-C1395 VanDerWaalsContact O-SG 3.35Å; C1395-K1397 VanDerWaalsContact C-N 3.34Å; C1395-K1397 PolarHBondContact O-N 2.67Å; C1395-I1398 CarbonylContact O-C 3.56Å; C1395-I1398 WeakPolarHBondContact O-CA 3.22Å; C1395-I1398 WeakPolarHBondContact O-CB 3.49Å; C1395-I1398 PolarHBondContact O-N 3.07Å; C1395-I1398 VanDerWaalsContact O-N 3.08Å; C1395-M1399 PolarHBondContact O-N 3.44Å; C1395-A1484 CarbonylContact C-O 3.56Å; C1395-A1484 WeakPolarHBondContact CB-O 3.37Å
1396S84.4Confident77.2Confident0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-61.2-37.4173.6-1700000112.9D1392 M1393 H1394 I1398 M1399 M1400 A1484D1392-S1396 VanDerWaalsContact O-CB 3.31Å; D1392-S1396 WeakPolarHBondContact O-CB 3.48Å; D1392-S1396 PolarHBondContact O-N 3.17Å; M1393-S1396 WeakPolarHBondContact O-CB 3.5Å; M1393-S1396 PolarHBondContact O-N 2.82Å; H1394-S1396 VanDerWaalsContact C-N 3.26Å; H1394-S1396 PolarHBondContact O-N 2.93Å; S1396-I1398 VanDerWaalsContact C-N 3.35Å; S1396-I1398 PolarHBondContact O-N 3.21Å; S1396-M1399 PolarHBondContact O-N 2.86Å; S1396-M1400 WeakPolarHBondContact O-CB 3.42Å; S1396-M1400 WeakPolarHBondContact O-CG 3.41Å; S1396-M1400 PolarHBondContact O-N 2.98Å; S1396-A1484 PolarHBondContact N-O 3.4Å
1397K88.7Confident79.6Confident0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-61.5-42.9171.6-61.5171.2-169.6-176.90111.3E1389 M1393 H1394 C1395 L1401 F1424 F1427 M1431 I1606E1389-K1397 IonicContact OE1-NZ 2.68Å; E1389-K1397 PolarHBondContact OE1-NZ 3.22Å; E1389-K1397 IonicContact OE2-NZ 2.62Å; E1389-K1397 PolarHBondContact OE2-NZ 3.06Å; M1393-K1397 WeakPolarHBondContact O-CG 3.34Å; M1393-K1397 PolarHBondContact O-N 3.01Å; M1393-K1397 VanDerWaalsContact O-N 3.15Å; H1394-K1397 WeakPolarHBondContact O-CB 3.4Å; H1394-K1397 PolarHBondContact O-N 3.49Å; C1395-K1397 VanDerWaalsContact C-N 3.34Å; C1395-K1397 PolarHBondContact O-N 2.67Å; K1397-L1401 VanDerWaalsContact O-CB 3.27Å; K1397-L1401 WeakPolarHBondContact O-CB 3.29Å; K1397-L1401 PolarHBondContact O-N 2.69Å; K1397-F1424 HydrophobicContact CG-CD2 4.45Å; K1397-F1424 HydrophobicContact CG-CE2 3.89Å; K1397-F1427 HydrophobicContact CD-CD1 4.28Å; K1397-F1427 HydrophobicContact CD-CE1 3.92Å; K1397-F1427 HydrophobicContact CG-CE1 4.44Å; K1397-M1431 HydrophobicContact CB-CE 4.31Å; K1397-M1431 HydrophobicContact CB-SD 4.43Å; K1397-M1431 HydrophobicContact CG-SD 4.35Å; K1397-M1431 WeakPolarHBondContact O-CE 3.38Å; K1397-I1606 HydrophobicContact CB-CD1 3.9Å; K1397-I1606 HydrophobicContact CB-CG1 4.03Å; K1397-I1606 HydrophobicContact CB-CG2 3.99Å; K1397-I1606 HydrophobicContact CD-CG2 3.62Å; K1397-I1606 HydrophobicContact CG-CG2 4.41Å
1398I88.7Confident81.7Confident2 Ų228 Ų281%0.0114%0.143CC..Hα-helixtrans-66.9-42.7177.6-66.7172.2000111.1H1394 C1395 S1396 L1401 S1402 V1487 W1599 Y1602 D1603 I1606H1394-I1398 PolarHBondContact O-N 2.91Å; H1394-I1398 VanDerWaalsContact O-N 3.13Å; C1395-I1398 CarbonylContact O-C 3.56Å; C1395-I1398 WeakPolarHBondContact O-CA 3.22Å; C1395-I1398 WeakPolarHBondContact O-CB 3.49Å; C1395-I1398 PolarHBondContact O-N 3.07Å; C1395-I1398 VanDerWaalsContact O-N 3.08Å; S1396-I1398 VanDerWaalsContact C-N 3.35Å; S1396-I1398 PolarHBondContact O-N 3.21Å; I1398-L1401 PolarHBondContact O-N 3.3Å; I1398-S1402 WeakPolarHBondContact O-CB 3.31Å; I1398-S1402 PolarHBondContact O-N 3.35Å; I1398-S1402 PolarHBondContact O-OG 3.42Å; I1398-V1487 HydrophobicContact CG2-CG2 4.28Å; I1398-W1599 HydrophobicContact CD1-CD2 4.19Å; I1398-W1599 HydrophobicContact CD1-CH2 4.07Å; I1398-W1599 HydrophobicContact CD1-CZ2 3.55Å; I1398-Y1602 HydrophobicContact CG2-CD2 4.23Å; I1398-Y1602 HydrophobicContact CG2-CG 4.41Å; I1398-D1603 HydrophobicContact CD1-CB 4.16Å; I1398-I1606 HydrophobicContact CG1-CG1 4.43Å
1399M90.7Very high83.5Confident0 Ų025.9 Ų25.90%013%0.128CC..Hα-helixtrans-58.2-53.2173.8-178.1-79.1-68.600110.5S1371 C1395 S1396 L1401 S1402 V1403 F1413 V1482 Q1486S1371-M1399 WeakPolarHBondContact OG-CE 3.38Å; C1395-M1399 PolarHBondContact O-N 3.44Å; S1396-M1399 PolarHBondContact O-N 2.86Å; M1399-L1401 VanDerWaalsContact C-N 3.32Å; M1399-L1401 PolarHBondContact O-N 3.25Å; M1399-S1402 PolarHBondContact O-N 2.85Å; M1399-S1402 PolarHBondContact O-OG 2.57Å; M1399-V1403 WeakPolarHBondContact O-CG2 3.29Å; M1399-V1403 PolarHBondContact O-N 2.98Å; M1399-V1403 HydrophobicContact SD-CG2 4.03Å; M1399-F1413 HydrophobicContact SD-CE1 4.44Å; M1399-V1482 HydrophobicContact CG-CG1 3.79Å; M1399-V1482 HydrophobicContact SD-CB 4.24Å; M1399-V1482 HydrophobicContact SD-CG1 3.9Å; M1399-Q1486 VanDerWaalsContact CB-O 3.25Å; M1399-Q1486 WeakPolarHBondContact CB-O 3.39Å; M1399-Q1486 VanDerWaalsContact CG-O 3.25Å; M1399-Q1486 WeakPolarHBondContact CG-O 3.34Å
1400M92.2Very high85.3Confident0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-58.1-42.2177.2-70172.367.800111.9S1396 M1404 F1413 L1415 F1424 L1428 M1431 F1437S1396-M1400 WeakPolarHBondContact O-CB 3.42Å; S1396-M1400 WeakPolarHBondContact O-CG 3.41Å; S1396-M1400 PolarHBondContact O-N 2.98Å; M1400-M1404 VanDerWaalsContact O-CG 3.28Å; M1400-M1404 WeakPolarHBondContact O-CG 3.32Å; M1400-M1404 PolarHBondContact O-N 3.17Å; M1400-F1413 HydrophobicContact CB-CE1 4.14Å; M1400-F1413 HydrophobicContact CB-CE2 4.26Å; M1400-F1413 HydrophobicContact CB-CZ 3.89Å; M1400-F1413 HydrophobicContact CE-CB 4.19Å; M1400-F1413 HydrophobicContact CE-CD1 4.43Å; M1400-F1413 HydrophobicContact CE-CD2 3.74Å; M1400-F1413 HydrophobicContact CE-CE2 4.18Å; M1400-F1413 HydrophobicContact CE-CG 3.87Å; M1400-F1413 HydrophobicContact CG-CD1 3.88Å; M1400-F1413 HydrophobicContact CG-CD2 4.49Å; M1400-F1413 HydrophobicContact CG-CE1 3.72Å; M1400-F1413 HydrophobicContact CG-CE2 4.33Å; M1400-F1413 HydrophobicContact CG-CG 4.27Å; M1400-F1413 HydrophobicContact CG-CZ 3.95Å; M1400-L1415 HydrophobicContact SD-CD1 4.49Å; M1400-F1424 HydrophobicContact SD-CZ 4.49Å; M1400-L1428 HydrophobicContact CE-CD2 3.93Å; M1400-L1428 HydrophobicContact SD-CD2 4.44Å; M1400-M1431 HydrophobicContact CB-CE 4.03Å; M1400-F1437 HydrophobicContact CE-CD2 4.35Å; M1400-F1437 HydrophobicContact CE-CE1 4.13Å; M1400-F1437 HydrophobicContact CE-CE2 3.5Å; M1400-F1437 VanDerWaalsContact CE-CE2 3.5Å; M1400-F1437 HydrophobicContact CE-CZ 3.36Å
1401L92.3Very high86.8Confident1 Ų128.7 Ų28.71%0.00515%0.148CC..Hα-helixtrans-63.9-45.7176.4-178.156.2000111.9K1397 I1398 M1399 V1403 M1404 K1405 Y1435 Y1602 E1605 I1606K1397-L1401 VanDerWaalsContact O-CB 3.27Å; K1397-L1401 WeakPolarHBondContact O-CB 3.29Å; K1397-L1401 PolarHBondContact O-N 2.69Å; I1398-L1401 PolarHBondContact O-N 3.3Å; M1399-L1401 VanDerWaalsContact C-N 3.32Å; M1399-L1401 PolarHBondContact O-N 3.25Å; L1401-V1403 PolarHBondContact O-N 2.74Å; L1401-M1404 CarbonylContact O-C 3.08Å; L1401-M1404 PolarHBondContact O-N 2.89Å; L1401-M1404 VanDerWaalsContact O-N 3.11Å; L1401-K1405 VanDerWaalsContact CD1-CE 3.49Å; L1401-K1405 HydrophobicContact CD1-CG 4.18Å; L1401-K1405 HydrophobicContact CG-CG 4.4Å; L1401-K1405 WeakPolarHBondContact O-CG 3.33Å; L1401-K1405 PolarHBondContact O-N 2.76Å; L1401-Y1435 HydrophobicContact CD1-CD1 4.01Å; L1401-Y1435 HydrophobicContact CD1-CE1 3.48Å; L1401-Y1435 VanDerWaalsContact CD1-CE1 3.48Å; L1401-Y1435 HydrophobicContact CD1-CE2 4.11Å; L1401-Y1602 HydrophobicContact CD2-CD1 3.87Å; L1401-Y1602 HydrophobicContact CD2-CG 4.36Å; L1401-Y1602 HydrophobicContact CG-CD1 3.96Å; L1401-E1605 HydrophobicContact CD2-CB 4.19Å; L1401-E1605 HydrophobicContact CD2-CG 4.39Å; L1401-I1606 HydrophobicContact CB-CD1 4.38Å; L1401-I1606 HydrophobicContact CD2-CD1 3.88Å; L1401-I1606 HydrophobicContact CD2-CG1 3.92Å
1402S93.4Very high88.3Confident0 Ų029.8 Ų29.80%015%0.151CC..Hα-helixtrans-61.8-40.7178.672.20000112.3I1398 M1399 K1405 H1406 V1488I1398-S1402 WeakPolarHBondContact O-CB 3.31Å; I1398-S1402 PolarHBondContact O-N 3.35Å; I1398-S1402 PolarHBondContact O-OG 3.42Å; M1399-S1402 PolarHBondContact O-N 2.85Å; M1399-S1402 PolarHBondContact O-OG 2.57Å; S1402-K1405 PolarHBondContact O-N 3.42Å; S1402-H1406 PolarHBondContact O-N 2.81Å; S1402-H1406 PolarHBondContact O-ND1 2.79Å; S1402-V1488 CarbonylContact C-O 3.54Å; S1402-V1488 WeakPolarHBondContact CB-O 3.44Å; S1402-V1488 PolarHBondContact OG-N 2.91Å
1403V94Very high89.6Confident2 Ų229.2 Ų29.21%0.01215%0.148CC..Hα-helixtrans-59.9-48170.8171.60000110.6L1367 V1369 M1399 L1401 K1405 H1406 A1407 V1411 F1413 V1488 L1492L1367-V1403 HydrophobicContact CD2-CG1 4.36Å; V1369-V1403 HydrophobicContact CG2-CG1 4.49Å; M1399-V1403 WeakPolarHBondContact O-CG2 3.29Å; M1399-V1403 PolarHBondContact O-N 2.98Å; M1399-V1403 HydrophobicContact SD-CG2 4.03Å; L1401-V1403 PolarHBondContact O-N 2.74Å; V1403-K1405 VanDerWaalsContact C-N 3.26Å; V1403-K1405 PolarHBondContact O-N 2.96Å; V1403-H1406 PolarHBondContact O-N 3.36Å; V1403-A1407 VanDerWaalsContact O-CB 3.23Å; V1403-A1407 WeakPolarHBondContact O-CB 3.31Å; V1403-A1407 PolarHBondContact O-N 2.72Å; V1403-V1411 HydrophobicContact CG1-CG1 4.25Å; V1403-F1413 HydrophobicContact CB-CE1 4.35Å; V1403-F1413 HydrophobicContact CB-CZ 3.99Å; V1403-F1413 HydrophobicContact CG1-CE1 4.23Å; V1403-F1413 HydrophobicContact CG1-CZ 3.84Å; V1403-V1488 HydrophobicContact CG2-CB 3.79Å; V1403-V1488 HydrophobicContact CG2-CG1 4.09Å; V1403-V1488 HydrophobicContact CG2-CG2 3.68Å; V1403-L1492 HydrophobicContact CG1-CD1 4.3Å; V1403-L1492 HydrophobicContact CG2-CD1 3.86Å
1404M94.2Very high90.6Very high40 Ų4029.2 Ų29.220%0.19715%0.148CC..Hα-helixtrans-68.1-20.6-178.7-70.4-52.2-59.100114.6M1400 L1401 V1411 F1413 Y1435 F1437M1400-M1404 VanDerWaalsContact O-CG 3.28Å; M1400-M1404 WeakPolarHBondContact O-CG 3.32Å; M1400-M1404 PolarHBondContact O-N 3.17Å; L1401-M1404 CarbonylContact O-C 3.08Å; L1401-M1404 PolarHBondContact O-N 2.89Å; L1401-M1404 VanDerWaalsContact O-N 3.11Å; M1404-V1411 HydrophobicContact CE-CG2 4.23Å; M1404-V1411 HydrophobicContact SD-CB 3.61Å; M1404-V1411 HydrophobicContact SD-CG1 4.18Å; M1404-V1411 HydrophobicContact SD-CG2 3.48Å; M1404-V1411 WeakPolarHBondContact SD-CG2 3.29Å; M1404-F1413 HydrophobicContact CG-CE2 4.03Å; M1404-F1413 HydrophobicContact CG-CZ 4.31Å; M1404-F1413 HydrophobicContact SD-CE2 3.93Å; M1404-F1413 HydrophobicContact SD-CZ 4.4Å; M1404-Y1435 WeakPolarHBondContact CE-O 3.29Å; M1404-F1437 HydrophobicContact CE-CB 4Å; M1404-F1437 HydrophobicContact CG-CB 4.49Å; M1404-F1437 HydrophobicContact CG-CD1 3.93Å; M1404-F1437 HydrophobicContact SD-CB 3.73Å; M1404-F1437 HydrophobicContact SD-CD1 4.26Å; M1404-F1437 HydrophobicContact SD-CG 4.43Å
1405K92.5Very high91.2Very high102 Ų10228.2 Ų28.244%0.44314%0.143SC..Hα-helixtrans-79.2-25.8174.8-64.3-97.9171.9166.90112.4L1401 S1402 V1403 Y1602 E1605L1401-K1405 VanDerWaalsContact CD1-CE 3.49Å; L1401-K1405 HydrophobicContact CD1-CG 4.18Å; L1401-K1405 HydrophobicContact CG-CG 4.4Å; L1401-K1405 WeakPolarHBondContact O-CG 3.33Å; L1401-K1405 PolarHBondContact O-N 2.76Å; S1402-K1405 PolarHBondContact O-N 3.42Å; V1403-K1405 VanDerWaalsContact C-N 3.26Å; V1403-K1405 PolarHBondContact O-N 2.96Å; K1405-Y1602 HydrophobicContact CD-CE1 4.3Å; K1405-Y1602 HydrophobicContact CG-CE1 3.99Å; K1405-E1605 VanDerWaalsContact CE-OE2 3.22Å; K1405-E1605 WeakPolarHBondContact CE-OE2 3.31Å; K1405-E1605 IonicContact NZ-OE1 3.53Å; K1405-E1605 PolarHBondContact NZ-OE1 3.05Å; K1405-E1605 IonicContact NZ-OE2 3.89Å; K1405-E1605 PolarHBondContact NZ-OE2 2.88Å
1406H93Very high91.6Very high56 Ų5627.6 Ų27.626%0.25914%0.139SC..Hα-helixtrans-109.5-19-175.7-63.192.9000114.5S1402 V1403 V1488 R1489S1402-H1406 PolarHBondContact O-N 2.81Å; S1402-H1406 PolarHBondContact O-ND1 2.79Å; V1403-H1406 PolarHBondContact O-N 3.36Å; H1406-V1488 PolarHBondContact CE1-O 3.46Å; H1406-V1488 PolarHBondContact ND1-O 2.73Å; H1406-R1489 PolarHBondContact CD2-O 3.09Å
1407A90.2Very high91.7Very high23 Ų2328.4 Ų28.419%0.1914%0.142CC..  trans-71.3133.317800000112.2L1367 V1403 V1411L1367-A1407 HydrophobicContact CD2-CB 4.31Å; V1403-A1407 VanDerWaalsContact O-CB 3.23Å; V1403-A1407 WeakPolarHBondContact O-CB 3.31Å; V1403-A1407 PolarHBondContact O-N 2.72Å; A1407-V1411 HydrophobicContact CB-CG2 3.62Å
1408K87.3Confident91.4Very high189 Ų18930.7 Ų30.782%0.82216%0.155SC*.  trans-101.5-12.7175.4-62.8178.4-176.9173.40113.6
1409S88.2Confident90.9Very high27 Ų2732.2 Ų32.219%0.18916%0.161CC..SBendtrans-106.8160.2178.647.20000111.3V1411 M1493S1409-V1411 WeakPolarHBondContact O-CG2 3.25Å; S1409-V1411 PolarHBondContact O-N 2.83Å; S1409-M1493 PolarHBondContact OG-SD 3.18Å
1410P93.1Very high90.5Very high86 Ų8632.7 Ų32.756%0.55816%0.163SC*.  trans-53.5135.1169.3-24.933.7000111.8D1365 V1366 L1367D1365-P1410 WeakPolarHBondContact O-CD 3.4Å; V1366-P1410 WeakPolarHBondContact CA-O 3.45Å; V1366-P1410 HydrophobicContact CG2-CB 4.42Å; L1367-P1410 PolarHBondContact N-O 2.88Å
1411V94.1Very high89.9Confident2 Ų233.7 Ų33.71%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-110.9138.8-178-1690000111L1367 V1369 V1403 M1404 A1407 S1409 F1413 S1438L1367-V1411 HydrophobicContact CB-CG2 4.44Å; L1367-V1411 HydrophobicContact CD2-CG1 4.28Å; L1367-V1411 HydrophobicContact CD2-CG2 4.09Å; L1367-V1411 HydrophobicContact CG-CG1 4.46Å; V1369-V1411 HydrophobicContact CG2-CG1 4.39Å; V1403-V1411 HydrophobicContact CG1-CG1 4.25Å; M1404-V1411 HydrophobicContact CE-CG2 4.23Å; M1404-V1411 HydrophobicContact SD-CB 3.61Å; M1404-V1411 HydrophobicContact SD-CG1 4.18Å; M1404-V1411 HydrophobicContact SD-CG2 3.48Å; M1404-V1411 WeakPolarHBondContact SD-CG2 3.29Å; A1407-V1411 HydrophobicContact CB-CG2 3.62Å; S1409-V1411 WeakPolarHBondContact O-CG2 3.25Å; S1409-V1411 PolarHBondContact O-N 2.83Å; V1411-F1413 HydrophobicContact CB-CE2 4.42Å; V1411-F1413 HydrophobicContact CG1-CD2 4.11Å; V1411-F1413 HydrophobicContact CG1-CE1 4.35Å; V1411-F1413 HydrophobicContact CG1-CE2 3.72Å; V1411-F1413 HydrophobicContact CG1-CZ 3.85Å; V1411-S1438 PolarHBondContact O-N 2.91Å; V1411-S1438 PolarHBondContact O-OG 2.85Å
1412K95.4Very high89.4Confident43 Ų4334.6 Ų34.619%0.18718%0.176CC..EExtended strand (participates in β ladder)trans-120.8115.9168.4-170.6170.4-179.6-175.10110.6V1366 L1367 V1369 W1414 S1438 E1440V1366-K1412 HydrophobicContact CG1-CB 3.77Å; L1367-K1412 PolarHBondContact O-N 3.35Å; V1369-K1412 PolarHBondContact N-O 2.92Å; K1412-W1414 HydrophobicContact CD-CH2 4.33Å; K1412-W1414 HydrophobicContact CD-CZ2 3.61Å; K1412-W1414 VanDerWaalsContact CE-CZ2 3.41Å; K1412-W1414 HydrophobicContact CG-CZ2 4.4Å; K1412-W1414 VanDerWaalsContact NZ-CZ2 3.28Å; K1412-S1438 WeakPolarHBondContact CA-O 3.41Å; K1412-S1438 WeakPolarHBondContact CA-OG 3.31Å; K1412-S1438 VanDerWaalsContact CB-OG 3.26Å; K1412-S1438 WeakPolarHBondContact CB-OG 3.12Å; K1412-S1438 WeakPolarHBondContact CG-OG 3.42Å; K1412-E1440 WeakPolarHBondContact CE-OE2 3.48Å; K1412-E1440 IonicContact NZ-OE2 3.84Å; K1412-E1440 PolarHBondContact NZ-OE2 2.83Å
1413F95.1Very high88.7Confident0 Ų037.1 Ų37.10%019%0.187CC..EExtended strand (participates in β ladder)trans-90.5127.2173.5-69.1-78.3000111.3V1369 M1399 M1400 V1403 M1404 V1411 F1437 S1438 Y1439 E1440V1369-F1413 HydrophobicContact CB-CD1 3.91Å; V1369-F1413 HydrophobicContact CB-CE1 4.05Å; V1369-F1413 HydrophobicContact CG1-CD1 4.1Å; V1369-F1413 HydrophobicContact CG1-CE1 4.09Å; V1369-F1413 HydrophobicContact CG2-CE1 4.46Å; V1369-F1413 CarbonylContact O-C 3.6Å; V1369-F1413 WeakPolarHBondContact O-CA 3.24Å; M1399-F1413 HydrophobicContact SD-CE1 4.44Å; M1400-F1413 HydrophobicContact CB-CE1 4.14Å; M1400-F1413 HydrophobicContact CB-CE2 4.26Å; M1400-F1413 HydrophobicContact CB-CZ 3.89Å; M1400-F1413 HydrophobicContact CE-CB 4.19Å; M1400-F1413 HydrophobicContact CE-CD1 4.43Å; M1400-F1413 HydrophobicContact CE-CD2 3.74Å; M1400-F1413 HydrophobicContact CE-CE2 4.18Å; M1400-F1413 HydrophobicContact CE-CG 3.87Å; M1400-F1413 HydrophobicContact CG-CD1 3.88Å; M1400-F1413 HydrophobicContact CG-CD2 4.49Å; M1400-F1413 HydrophobicContact CG-CE1 3.72Å; M1400-F1413 HydrophobicContact CG-CE2 4.33Å; M1400-F1413 HydrophobicContact CG-CG 4.27Å; M1400-F1413 HydrophobicContact CG-CZ 3.95Å; V1403-F1413 HydrophobicContact CB-CE1 4.35Å; V1403-F1413 HydrophobicContact CB-CZ 3.99Å; V1403-F1413 HydrophobicContact CG1-CE1 4.23Å; V1403-F1413 HydrophobicContact CG1-CZ 3.84Å; M1404-F1413 HydrophobicContact CG-CE2 4.03Å; M1404-F1413 HydrophobicContact CG-CZ 4.31Å; M1404-F1413 HydrophobicContact SD-CE2 3.93Å; M1404-F1413 HydrophobicContact SD-CZ 4.4Å; V1411-F1413 HydrophobicContact CB-CE2 4.42Å; V1411-F1413 HydrophobicContact CG1-CD2 4.11Å; V1411-F1413 HydrophobicContact CG1-CE1 4.35Å; V1411-F1413 HydrophobicContact CG1-CE2 3.72Å; V1411-F1413 HydrophobicContact CG1-CZ 3.85Å; F1413-F1437 HydrophobicContact CD2-CB 4.1Å; F1413-F1437 HydrophobicContact CD2-CD1 4.45Å; F1413-F1437 AromaticContact CD2-CD2 3.7Å; F1413-F1437 HydrophobicContact CD2-CD2 3.7Å; F1413-F1437 HydrophobicContact CD2-CE2 4.17Å; F1413-F1437 AromaticContact CD2-CG 3.86Å; F1413-F1437 HydrophobicContact CD2-CG 3.86Å; F1413-F1437 HydrophobicContact CE2-CB 4.05Å; F1413-F1437 HydrophobicContact CE2-CD1 4.17Å; F1413-F1437 HydrophobicContact CE2-CD2 4.23Å; F1413-F1437 AromaticContact CE2-CG 3.92Å; F1413-F1437 HydrophobicContact CE2-CG 3.92Å; F1413-S1438 PolarHBondContact N-O 2.99Å; F1413-Y1439 CarbonylContact O-C 3.49Å; F1413-Y1439 WeakPolarHBondContact O-CA 3.33Å; F1413-Y1439 WeakPolarHBondContact O-CB 3.42Å; F1413-E1440 PolarHBondContact O-N 3.41Å
1414W95Very high88.1Confident3 Ų337 Ų371%0.01119%0.187CC..EExtended strand (participates in β ladder)trans-107.6127.9174.5-56.684.9000108.5N1368 V1369 F1370 S1371 K1412 E1440 V1442 F1472 P1473 V1476N1368-W1414 PolarHBondContact OD1-NE1 3.1Å; V1369-W1414 PolarHBondContact O-N 3.24Å; F1370-W1414 WeakPolarHBondContact CA-O 3.47Å; F1370-W1414 HydrophobicContact CB-CB 4.41Å; F1370-W1414 HydrophobicContact CD2-CB 4.19Å; F1370-W1414 WeakPolarHBondContact CD2-O 3.46Å; S1371-W1414 PolarHBondContact N-O 2.6Å; K1412-W1414 HydrophobicContact CD-CH2 4.33Å; K1412-W1414 HydrophobicContact CD-CZ2 3.61Å; K1412-W1414 VanDerWaalsContact CE-CZ2 3.41Å; K1412-W1414 HydrophobicContact CG-CZ2 4.4Å; K1412-W1414 VanDerWaalsContact NZ-CZ2 3.28Å; W1414-E1440 WeakPolarHBondContact CA-O 3.48Å; W1414-E1440 HydrophobicContact CD2-CB 4.5Å; W1414-E1440 HydrophobicContact CE3-CB 3.8Å; W1414-E1440 HydrophobicContact CE3-CG 4.3Å; W1414-E1440 HydrophobicContact CZ3-CB 3.92Å; W1414-E1440 VanDerWaalsContact CZ3-CD 3.42Å; W1414-E1440 HydrophobicContact CZ3-CG 4.05Å; W1414-E1440 WeakPolarHBondContact CZ3-OE1 3.14Å; W1414-V1442 HydrophobicContact CE3-CG1 3.64Å; W1414-V1442 HydrophobicContact CZ3-CG1 4.06Å; W1414-F1472 HydrophobicContact CB-CD1 4.33Å; W1414-F1472 HydrophobicContact CB-CE1 3.79Å; W1414-F1472 AromaticContact CD2-CD1 3.96Å; W1414-F1472 HydrophobicContact CD2-CD1 3.96Å; W1414-F1472 HydrophobicContact CD2-CE1 4.32Å; W1414-F1472 AromaticContact CE3-CD1 3.9Å; W1414-F1472 HydrophobicContact CE3-CD1 3.9Å; W1414-F1472 HydrophobicContact CE3-CE1 4.49Å; W1414-F1472 HydrophobicContact CG-CD1 4.19Å; W1414-F1472 HydrophobicContact CG-CE1 4.07Å; W1414-F1472 HydrophobicContact CZ3-CD1 4.45Å; W1414-P1473 HydrophobicContact CH2-CG 4.28Å; W1414-P1473 HydrophobicContact CZ3-CG 4.25Å; W1414-V1476 HydrophobicContact CH2-CG2 3.5Å; W1414-V1476 VanDerWaalsContact CH2-CG2 3.5Å; W1414-V1476 HydrophobicContact CZ2-CG1 4.31Å; W1414-V1476 HydrophobicContact CZ2-CG2 3.48Å; W1414-V1476 VanDerWaalsContact CZ2-CG2 3.48Å
1415L92.5Very high87.7Confident0 Ų036.6 Ų36.60%018%0.184CC..EExtended strand (participates in β ladder)trans-134.9138.5-173.6-59.1169.7000110.6M1400 K1417 L1420 F1424 L1428 E1440 L1441 V1442M1400-L1415 HydrophobicContact SD-CD1 4.49Å; L1415-K1417 PolarHBondContact O-N 2.91Å; L1415-L1420 HydrophobicContact CB-CD1 4.01Å; L1415-L1420 HydrophobicContact CD1-CD1 4.48Å; L1415-F1424 HydrophobicContact CD1-CE1 4.09Å; L1415-F1424 HydrophobicContact CD1-CZ 4.49Å; L1415-L1428 HydrophobicContact CD1-CD1 3.93Å; L1415-L1428 HydrophobicContact CD1-CD2 4.04Å; L1415-E1440 PolarHBondContact N-O 3Å; L1415-E1440 VanDerWaalsContact N-O 3.1Å; L1415-L1441 HydrophobicContact CB-CD2 3.99Å; L1415-L1441 HydrophobicContact CD1-CD2 4.44Å; L1415-L1441 CarbonylContact O-C 3.56Å; L1415-L1441 WeakPolarHBondContact O-CA 3.28Å; L1415-V1442 WeakPolarHBondContact O-CG2 3.42Å; L1415-V1442 PolarHBondContact O-N 2.9Å
1416L88.4Confident87.3Confident3 Ų333.5 Ų33.52%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-77.3104.9-179.3-172.961.3000111.3L1372 N1418 Y1419 V1442 Y1463 L1471L1372-L1416 HydrophobicContact CD2-CB 3.52Å; L1372-L1416 HydrophobicContact CD2-CD2 3.6Å; L1372-L1416 HydrophobicContact CD2-CG 4.16Å; L1372-L1416 HydrophobicContact CG-CB 4.35Å; L1416-N1418 VanDerWaalsContact C-N 3.29Å; L1416-N1418 PolarHBondContact O-N 2.99Å; L1416-N1418 VanDerWaalsContact O-N 3.13Å; L1416-Y1419 HydrophobicContact CD2-CD2 3.66Å; L1416-Y1419 HydrophobicContact CD2-CE2 3.65Å; L1416-Y1419 HydrophobicContact CG-CD2 4.04Å; L1416-Y1419 HydrophobicContact CG-CE2 4.35Å; L1416-Y1419 PolarHBondContact O-N 3.47Å; L1416-V1442 WeakPolarHBondContact CA-O 3.12Å; L1416-V1442 WeakPolarHBondContact CD1-O 3.34Å; L1416-Y1463 HydrophobicContact CD2-CD1 3.98Å; L1416-Y1463 HydrophobicContact CD2-CD2 3.82Å; L1416-Y1463 HydrophobicContact CD2-CG 3.52Å; L1416-L1471 HydrophobicContact CD1-CD1 3.9Å
1417K87.3Confident87Confident18 Ų1830.9 Ų30.98%0.07817%0.165CC..G310 helixtrans-52.9-39.5-168.1-163.7178.3-175.2-1490114.8E1181 E1208 L1415 Y1419 L1420 K1425 L1441 V1442 Q1443E1181-K1417 WeakPolarHBondContact OE1-CE 3.43Å; E1181-K1417 IonicContact OE1-NZ 3.59Å; E1181-K1417 PolarHBondContact OE1-NZ 2.9Å; E1181-K1417 WeakPolarHBondContact OE2-CE 3.31Å; E1181-K1417 IonicContact OE2-NZ 2.7Å; E1181-K1417 PolarHBondContact OE2-NZ 3.34Å; E1208-K1417 IonicContact OE1-NZ 3.56Å; E1208-K1417 PolarHBondContact OE1-NZ 3.33Å; E1208-K1417 IonicContact OE2-NZ 3.86Å; E1208-K1417 PolarHBondContact OE2-NZ 2.93Å; L1415-K1417 PolarHBondContact O-N 2.91Å; K1417-Y1419 PolarHBondContact O-N 2.92Å; K1417-Y1419 VanDerWaalsContact O-N 3.14Å; K1417-L1420 PolarHBondContact O-N 3.46Å; K1417-K1425 HydrophobicContact CG-CD 4.46Å; K1417-L1441 HydrophobicContact CB-CB 4.02Å; K1417-L1441 HydrophobicContact CD-CB 4.05Å; K1417-L1441 HydrophobicContact CD-CD1 4.48Å; K1417-L1441 HydrophobicContact CG-CB 3.94Å; K1417-L1441 HydrophobicContact CG-CD1 4.18Å; K1417-V1442 WeakPolarHBondContact CB-O 3.14Å; K1417-V1442 PolarHBondContact N-O 2.89Å; K1417-Q1443 HydrophobicContact CB-CB 4.32Å
1418N81.2Confident87Confident48 Ų4829.9 Ų29.926%0.25716%0.157SC..G310 helixtrans-66.6-17.5-167.3-606.8000114.4L1416 Q1443L1416-N1418 VanDerWaalsContact C-N 3.29Å; L1416-N1418 PolarHBondContact O-N 2.99Å; L1416-N1418 VanDerWaalsContact O-N 3.13Å; N1418-Q1443 WeakPolarHBondContact OD1-CB 3.37Å; N1418-Q1443 PolarHBondContact OD1-OE1 3.15Å
1419Y79.7Confident87.3Confident34 Ų3423.9 Ų23.913%0.13314%0.137CC..G310 helixtrans-113.6-0.2-174.7-59.3-68.7000113.9M1393 L1416 K1417 K1456 V1459 M1460 Y1463M1393-Y1419 WeakPolarHBondContact CE-O 3.26Å; L1416-Y1419 HydrophobicContact CD2-CD2 3.66Å; L1416-Y1419 HydrophobicContact CD2-CE2 3.65Å; L1416-Y1419 HydrophobicContact CG-CD2 4.04Å; L1416-Y1419 HydrophobicContact CG-CE2 4.35Å; L1416-Y1419 PolarHBondContact O-N 3.47Å; K1417-Y1419 PolarHBondContact O-N 2.92Å; K1417-Y1419 VanDerWaalsContact O-N 3.14Å; Y1419-K1456 VanDerWaalsContact CD1-CE 3.46Å; Y1419-K1456 HydrophobicContact CE1-CG 4.16Å; Y1419-V1459 VanDerWaalsContact OH-CG1 3.28Å; Y1419-V1459 WeakPolarHBondContact OH-CG1 3.5Å; Y1419-M1460 HydrophobicContact CD1-CG 4.06Å; Y1419-M1460 HydrophobicContact CD1-SD 3.88Å; Y1419-M1460 HydrophobicContact CD2-CG 3.87Å; Y1419-M1460 HydrophobicContact CD2-SD 4.2Å; Y1419-M1460 HydrophobicContact CE1-CG 4.01Å; Y1419-M1460 HydrophobicContact CE1-SD 4.37Å; Y1419-M1460 HydrophobicContact CE2-CG 3.82Å; Y1419-M1460 HydrophobicContact CG-CG 3.98Å; Y1419-M1460 HydrophobicContact CG-SD 3.77Å; Y1419-Y1463 HydrophobicContact CE2-CD2 4.05Å; Y1419-Y1463 HydrophobicContact CE2-CE2 4.16Å
1420L81.1Confident87.4Confident9 Ų924.3 Ų24.35%0.04714%0.136CC..SBendtrans-85.5137.4177-56.2178.4000111.2A1373 L1415 K1417 F1424 K1425 L1428 L1441A1373-L1420 HydrophobicContact CB-CD2 4.44Å; L1415-L1420 HydrophobicContact CB-CD1 4.01Å; L1415-L1420 HydrophobicContact CD1-CD1 4.48Å; K1417-L1420 PolarHBondContact O-N 3.46Å; L1420-F1424 HydrophobicContact CB-CD1 4.17Å; L1420-F1424 HydrophobicContact CD1-CD1 4.1Å; L1420-F1424 HydrophobicContact CD1-CE1 4.08Å; L1420-F1424 HydrophobicContact CD2-CD1 3.92Å; L1420-F1424 HydrophobicContact CD2-CE1 3.83Å; L1420-F1424 HydrophobicContact CG-CD1 4.28Å; L1420-F1424 HydrophobicContact CG-CE1 4.45Å; L1420-K1425 HydrophobicContact CB-CD 4.06Å; L1420-K1425 HydrophobicContact CB-CG 3.76Å; L1420-K1425 HydrophobicContact CD1-CG 4.2Å; L1420-K1425 WeakPolarHBondContact O-CE 3.23Å; L1420-L1428 HydrophobicContact CD1-CD1 4.46Å; L1420-L1441 HydrophobicContact CD1-CD2 3.78Å
1421S80Confident87.3Confident21 Ų2120.2 Ų20.215%0.14711%0.109CC..  trans-65.7154.5177.775.70000111.6M1393 H1423 F1424 K1425M1393-S1421 PolarHBondContact SD-N 3.3Å; M1393-S1421 PolarHBondContact SD-OG 3.16Å; S1421-H1423 PolarHBondContact O-N 2.84Å; S1421-F1424 PolarHBondContact O-N 2.85Å; S1421-F1424 WeakPolarHBondContact OG-CB 3.35Å; S1421-F1424 PolarHBondContact OG-N 2.99Å; S1421-F1424 VanDerWaalsContact OG-N 3.08Å; S1421-K1425 WeakPolarHBondContact O-CG 3.13Å; S1421-K1425 PolarHBondContact O-N 3.01Å
1422P81.2Confident87.3Confident21 Ų2120.6 Ų20.614%0.13611%0.113CC..Hα-helixtrans-52.5-41.6171-30.238.5000113.1A1182 A1185 K1425 A1426A1182-P1422 HydrophobicContact CB-CG 3.95Å; A1185-P1422 HydrophobicContact CB-CG 4.06Å; P1422-K1425 PolarHBondContact O-N 3.4Å; P1422-A1426 WeakPolarHBondContact O-CB 3.03Å; P1422-A1426 PolarHBondContact O-N 2.83Å
1423H78.8Confident87.2Confident52 Ų5227 Ų2724%0.24114%0.14CC..Hα-helixtrans-64.1-50.2-179.5-164.9-92.3000112E1389 S1421 K1425 A1426 F1427E1389-H1423 HydrophobicContact CG-CB 4.4Å; E1389-H1423 IonicContact OE1-CE1 3.74Å; E1389-H1423 IonicContact OE1-CG 3.84Å; E1389-H1423 IonicContact OE1-ND1 2.69Å; E1389-H1423 PolarHBondContact OE1-ND1 3.1Å; S1421-H1423 PolarHBondContact O-N 2.84Å; H1423-K1425 VanDerWaalsContact C-N 3.33Å; H1423-K1425 PolarHBondContact O-N 2.82Å; H1423-A1426 PolarHBondContact O-N 3.45Å; H1423-F1427 PolarHBondContact O-N 2.91Å
1424F82.6Confident87Confident1 Ų133.5 Ų33.50%0.00417%0.165CC..Hα-helixtrans-59.7-43.2178-176.5-91.2000111.6M1393 K1397 M1400 L1415 L1420 S1421 A1426 F1427 L1428M1393-F1424 HydrophobicContact CB-CD2 3.84Å; M1393-F1424 HydrophobicContact CB-CE2 4.27Å; M1393-F1424 HydrophobicContact CB-CG 4.39Å; M1393-F1424 HydrophobicContact CG-CD2 4.41Å; M1393-F1424 WeakPolarHBondContact O-CE2 3.48Å; M1393-F1424 HydrophobicContact SD-CB 3.87Å; M1393-F1424 HydrophobicContact SD-CG 4.21Å; K1397-F1424 HydrophobicContact CG-CD2 4.45Å; K1397-F1424 HydrophobicContact CG-CE2 3.89Å; M1400-F1424 HydrophobicContact SD-CZ 4.49Å; L1415-F1424 HydrophobicContact CD1-CE1 4.09Å; L1415-F1424 HydrophobicContact CD1-CZ 4.49Å; L1420-F1424 HydrophobicContact CB-CD1 4.17Å; L1420-F1424 HydrophobicContact CD1-CD1 4.1Å; L1420-F1424 HydrophobicContact CD1-CE1 4.08Å; L1420-F1424 HydrophobicContact CD2-CD1 3.92Å; L1420-F1424 HydrophobicContact CD2-CE1 3.83Å; L1420-F1424 HydrophobicContact CG-CD1 4.28Å; L1420-F1424 HydrophobicContact CG-CE1 4.45Å; S1421-F1424 PolarHBondContact O-N 2.85Å; S1421-F1424 WeakPolarHBondContact OG-CB 3.35Å; S1421-F1424 PolarHBondContact OG-N 2.99Å; S1421-F1424 VanDerWaalsContact OG-N 3.08Å; F1424-A1426 VanDerWaalsContact C-N 3.29Å; F1424-A1426 PolarHBondContact O-N 2.83Å; F1424-F1427 PolarHBondContact O-N 2.83Å; F1424-L1428 HydrophobicContact CD1-CD1 4.02Å; F1424-L1428 HydrophobicContact CD1-CG 4.08Å; F1424-L1428 HydrophobicContact CE1-CD1 3.73Å; F1424-L1428 HydrophobicContact CE1-CD2 3.92Å; F1424-L1428 HydrophobicContact CE1-CG 3.79Å; F1424-L1428 HydrophobicContact CZ-CD2 4.07Å; F1424-L1428 HydrophobicContact CZ-CG 4.35Å; F1424-L1428 WeakPolarHBondContact O-CG 3.43Å; F1424-L1428 PolarHBondContact O-N 2.67Å
1425K85.1Confident86.9Confident31 Ų3134.9 Ų34.914%0.13517%0.17CC..Hα-helixtrans-62.8-32.8175.3-71.3-177.2-63-168.90113.1E1181 A1182 K1417 L1420 S1421 P1422 H1423 P1429 L1441E1181-K1425 IonicContact OE2-NZ 2Å; E1181-K1425 PolarHBondContact OE2-NZ 2.97Å; A1182-K1425 PolarHBondContact O-NZ 3.43Å; K1417-K1425 HydrophobicContact CG-CD 4.46Å; L1420-K1425 HydrophobicContact CB-CD 4.06Å; L1420-K1425 HydrophobicContact CB-CG 3.76Å; L1420-K1425 HydrophobicContact CD1-CG 4.2Å; L1420-K1425 WeakPolarHBondContact O-CE 3.23Å; S1421-K1425 WeakPolarHBondContact O-CG 3.13Å; S1421-K1425 PolarHBondContact O-N 3.01Å; P1422-K1425 PolarHBondContact O-N 3.4Å; H1423-K1425 VanDerWaalsContact C-N 3.33Å; H1423-K1425 PolarHBondContact O-N 2.82Å; K1425-P1429 WeakPolarHBondContact O-CD 3.28Å; K1425-L1441 HydrophobicContact CD-CD1 4.49Å; K1425-L1441 HydrophobicContact CG-CD1 4.43Å
1426A85Confident86.9Confident37 Ų3743.9 Ų43.931%0.30621%0.209SC..Hα-helixtrans-79-23.2176.300000113.6P1422 H1423 F1424 Y1613P1422-A1426 WeakPolarHBondContact O-CB 3.03Å; P1422-A1426 PolarHBondContact O-N 2.83Å; H1423-A1426 PolarHBondContact O-N 3.45Å; F1424-A1426 VanDerWaalsContact C-N 3.29Å; F1424-A1426 PolarHBondContact O-N 2.83Å; A1426-Y1613 VanDerWaalsContact C-OH 3.23Å; A1426-Y1613 VanDerWaalsContact CB-OH 3.31Å; A1426-Y1613 WeakPolarHBondContact CB-OH 3.17Å; A1426-Y1613 PolarHBondContact O-OH 3.44Å
1427F86.4Confident87.2Confident1 Ų144.3 Ų44.30%0.00421%0.211CC..Hα-helixtrans-85.3-33176.4-178.9-107.3000113.2K1397 H1423 F1424 P1429 F1430 M1431 L1609 L1610 Y1613K1397-F1427 HydrophobicContact CD-CD1 4.28Å; K1397-F1427 HydrophobicContact CD-CE1 3.92Å; K1397-F1427 HydrophobicContact CG-CE1 4.44Å; H1423-F1427 PolarHBondContact O-N 2.91Å; F1424-F1427 PolarHBondContact O-N 2.83Å; F1427-P1429 VanDerWaalsContact C-CD 3.45Å; F1427-F1430 HydrophobicContact CD2-CD1 4.45Å; F1427-F1430 HydrophobicContact CE2-CD1 4.05Å; F1427-F1430 WeakPolarHBondContact O-CB 3.38Å; F1427-F1430 PolarHBondContact O-N 3.05Å; F1427-M1431 HydrophobicContact CD1-CB 4.21Å; F1427-M1431 HydrophobicContact CE1-CB 3.9Å; F1427-M1431 HydrophobicContact CE1-CG 4.17Å; F1427-M1431 HydrophobicContact CE1-SD 3.94Å; F1427-M1431 HydrophobicContact CZ-CB 4.38Å; F1427-M1431 PolarHBondContact O-N 3.41Å; F1427-M1431 VanDerWaalsContact O-N 3.09Å; F1427-L1609 HydrophobicContact CE2-CG 4.39Å; F1427-L1609 HydrophobicContact CZ-CB 4.4Å; F1427-L1609 HydrophobicContact CZ-CD2 4Å; F1427-L1609 HydrophobicContact CZ-CG 4.12Å; F1427-L1610 HydrophobicContact CD1-CD2 4.28Å; F1427-L1610 HydrophobicContact CD2-CD2 3.59Å; F1427-L1610 HydrophobicContact CE1-CD2 4.14Å; F1427-L1610 HydrophobicContact CE2-CD2 3.43Å; F1427-L1610 VanDerWaalsContact CE2-CD2 3.43Å; F1427-L1610 HydrophobicContact CE2-CG 3.92Å; F1427-L1610 HydrophobicContact CG-CD2 4.01Å; F1427-L1610 HydrophobicContact CZ-CD2 3.71Å; F1427-L1610 HydrophobicContact CZ-CG 3.92Å; F1427-Y1613 HydrophobicContact CD2-CD1 4.11Å; F1427-Y1613 HydrophobicContact CD2-CD2 4.11Å; F1427-Y1613 AromaticContact CD2-CG 3.87Å; F1427-Y1613 HydrophobicContact CD2-CG 3.87Å; F1427-Y1613 HydrophobicContact CE2-CG 4.36Å
1428L89.9Confident87.6Confident1 Ų146 Ų461%0.00523%0.226CC..Hα-helixtrans-46.7-45.9179.4-85.3175.6000115.1M1400 L1415 L1420 F1424 F1430 M1431 A1432 Y1439 L1441M1400-L1428 HydrophobicContact CE-CD2 3.93Å; M1400-L1428 HydrophobicContact SD-CD2 4.44Å; L1415-L1428 HydrophobicContact CD1-CD1 3.93Å; L1415-L1428 HydrophobicContact CD1-CD2 4.04Å; L1420-L1428 HydrophobicContact CD1-CD1 4.46Å; F1424-L1428 HydrophobicContact CD1-CD1 4.02Å; F1424-L1428 HydrophobicContact CD1-CG 4.08Å; F1424-L1428 HydrophobicContact CE1-CD1 3.73Å; F1424-L1428 HydrophobicContact CE1-CD2 3.92Å; F1424-L1428 HydrophobicContact CE1-CG 3.79Å; F1424-L1428 HydrophobicContact CZ-CD2 4.07Å; F1424-L1428 HydrophobicContact CZ-CG 4.35Å; F1424-L1428 WeakPolarHBondContact O-CG 3.43Å; F1424-L1428 PolarHBondContact O-N 2.67Å; L1428-F1430 VanDerWaalsContact C-N 3.29Å; L1428-F1430 PolarHBondContact O-N 3.29Å; L1428-M1431 PolarHBondContact O-N 2.9Å; L1428-A1432 VanDerWaalsContact O-CB 3.22Å; L1428-A1432 WeakPolarHBondContact O-CB 3.41Å; L1428-A1432 PolarHBondContact O-N 2.04Å; L1428-Y1439 HydrophobicContact CB-CE1 4.39Å; L1428-Y1439 HydrophobicContact CB-CE2 4.07Å; L1428-Y1439 HydrophobicContact CD1-CD2 4.13Å; L1428-Y1439 HydrophobicContact CD1-CE2 4.05Å; L1428-L1441 HydrophobicContact CD1-CD2 3.95Å
1429P93.1Very high88.2Confident63 Ų6347.2 Ų47.241%0.40923%0.227SC..Hα-helixtrans-60.3-36.2177.2-19.127.5000113.7K1425 F1427 K1433 Y1439K1425-P1429 WeakPolarHBondContact O-CD 3.28Å; F1427-P1429 VanDerWaalsContact C-CD 3.45Å; P1429-K1433 WeakPolarHBondContact O-CB 3.4Å; P1429-K1433 PolarHBondContact O-N 3.25Å; P1429-K1433 VanDerWaalsContact O-N 3.09Å; P1429-Y1439 WeakPolarHBondContact CG-OH 3.5Å
1430F91.1Very high88.9Confident36 Ų3649 Ų4916%0.15824%0.237CC..Hα-helixtrans-71.1-48-179.7-172.2-107.4000110.5F1427 L1428 A1432 K1433 R1434 L1609 E1612 Y1613F1427-F1430 HydrophobicContact CD2-CD1 4.45Å; F1427-F1430 HydrophobicContact CE2-CD1 4.05Å; F1427-F1430 WeakPolarHBondContact O-CB 3.38Å; F1427-F1430 PolarHBondContact O-N 3.05Å; L1428-F1430 VanDerWaalsContact C-N 3.29Å; L1428-F1430 PolarHBondContact O-N 3.29Å; F1430-A1432 PolarHBondContact O-N 3.49Å; F1430-K1433 PolarHBondContact O-N 2.7Å; F1430-R1434 WeakPolarHBondContact O-CB 3.48Å; F1430-R1434 PolarHBondContact O-N 2.97Å; F1430-L1609 HydrophobicContact CD1-CD1 4.27Å; F1430-L1609 HydrophobicContact CD1-CG 4.15Å; F1430-L1609 HydrophobicContact CE1-CD1 3.61Å; F1430-L1609 HydrophobicContact CE1-CG 3.85Å; F1430-L1609 HydrophobicContact CZ-CD1 4.42Å; F1430-E1612 HydrophobicContact CZ-CB 4.4Å; F1430-E1612 HydrophobicContact CZ-CG 4.18Å; F1430-Y1613 HydrophobicContact CB-CD2 3.85Å; F1430-Y1613 HydrophobicContact CB-CE2 4.22Å; F1430-Y1613 AromaticContact CD1-CD2 4Å; F1430-Y1613 HydrophobicContact CD1-CD2 4Å; F1430-Y1613 HydrophobicContact CD1-CG 4.42Å; F1430-Y1613 HydrophobicContact CD2-CD2 4.26Å; F1430-Y1613 AromaticContact CG-CD2 3.79Å; F1430-Y1613 HydrophobicContact CG-CD2 3.79Å
1431M90.7Very high89.4Confident1 Ų150.8 Ų50.81%0.00525%0.246CC..Hα-helixtrans-61.3-43.4176.1-167.5-176.6174.300112K1397 M1400 F1427 L1428 K1433 R1434 Y1435 F1437 I1606 L1609K1397-M1431 HydrophobicContact CB-CE 4.31Å; K1397-M1431 HydrophobicContact CB-SD 4.43Å; K1397-M1431 HydrophobicContact CG-SD 4.35Å; K1397-M1431 WeakPolarHBondContact O-CE 3.38Å; M1400-M1431 HydrophobicContact CB-CE 4.03Å; F1427-M1431 HydrophobicContact CD1-CB 4.21Å; F1427-M1431 HydrophobicContact CE1-CB 3.9Å; F1427-M1431 HydrophobicContact CE1-CG 4.17Å; F1427-M1431 HydrophobicContact CE1-SD 3.94Å; F1427-M1431 HydrophobicContact CZ-CB 4.38Å; F1427-M1431 PolarHBondContact O-N 3.41Å; F1427-M1431 VanDerWaalsContact O-N 3.09Å; L1428-M1431 PolarHBondContact O-N 2.9Å; M1431-K1433 PolarHBondContact O-N 3.49Å; M1431-R1434 PolarHBondContact O-N 2.76Å; M1431-Y1435 HydrophobicContact CE-CD2 4.24Å; M1431-Y1435 HydrophobicContact CE-CE2 4.17Å; M1431-Y1435 HydrophobicContact CG-CD2 3.74Å; M1431-Y1435 HydrophobicContact CG-CE2 3.9Å; M1431-Y1435 WeakPolarHBondContact O-CD2 3.49Å; M1431-Y1435 PolarHBondContact O-N 2.99Å; M1431-F1437 HydrophobicContact CB-CZ 4.12Å; M1431-F1437 HydrophobicContact CE-CE1 4.34Å; M1431-F1437 HydrophobicContact CG-CE1 3.89Å; M1431-F1437 HydrophobicContact CG-CZ 3.86Å; M1431-F1437 HydrophobicContact SD-CE1 4.45Å; M1431-F1437 HydrophobicContact SD-CZ 4.22Å; M1431-I1606 HydrophobicContact CE-CD1 3.84Å; M1431-L1609 HydrophobicContact CG-CD2 4.35Å
1432A93.9Very high90Very high10 Ų1050.1 Ų50.18%0.08324%0.241CC..Hα-helixtrans-59.7-45.4175.900000112L1428 F1430 R1434 K1436 F1437 Y1439L1428-A1432 VanDerWaalsContact O-CB 3.22Å; L1428-A1432 WeakPolarHBondContact O-CB 3.41Å; L1428-A1432 PolarHBondContact O-N 2.04Å; F1430-A1432 PolarHBondContact O-N 3.49Å; A1432-R1434 VanDerWaalsContact C-N 3.34Å; A1432-R1434 PolarHBondContact O-N 2.82Å; A1432-K1436 VanDerWaalsContact O-CA 3.25Å; A1432-K1436 WeakPolarHBondContact O-CA 3.39Å; A1432-K1436 PolarHBondContact O-N 2.78Å; A1432-F1437 VanDerWaalsContact CA-CZ 3.48Å; A1432-F1437 HydrophobicContact CB-CD2 3.82Å; A1432-F1437 HydrophobicContact CB-CE2 3.51Å; A1432-F1437 HydrophobicContact CB-CZ 3.96Å; A1432-F1437 PolarHBondContact O-N 3.3Å; A1432-Y1439 HydrophobicContact CB-CD1 3.71Å; A1432-Y1439 HydrophobicContact CB-CE1 3.82Å
1433K93Very high90.4Very high178 Ų17849.6 Ų49.677%0.77424%0.237SC*.Hα-helixtrans-64.2-37175.7-171.6-179179.1-1730112.3P1429 F1430 M1431P1429-K1433 WeakPolarHBondContact O-CB 3.4Å; P1429-K1433 PolarHBondContact O-N 3.25Å; P1429-K1433 VanDerWaalsContact O-N 3.09Å; F1430-K1433 PolarHBondContact O-N 2.7Å; M1431-K1433 PolarHBondContact O-N 3.49Å
1434R92.1Very high91Very high135 Ų13547.4 Ų47.451%0.50923%0.226SC..Hα-helixtrans-70.7-41.3-178.1-176.665177.574.51.9113.6F1430 M1431 A1432 L1609F1430-R1434 WeakPolarHBondContact O-CB 3.48Å; F1430-R1434 PolarHBondContact O-N 2.97Å; M1431-R1434 PolarHBondContact O-N 2.76Å; A1432-R1434 VanDerWaalsContact C-N 3.34Å; A1432-R1434 PolarHBondContact O-N 2.82Å; R1434-L1609 HydrophobicContact CB-CD1 4.29Å; R1434-L1609 HydrophobicContact CB-CD2 4.29Å; R1434-L1609 HydrophobicContact CG-CD1 3.7Å; R1434-L1609 HydrophobicContact CG-CD2 4.1Å
1435Y92.1Very high91.5Very high33 Ų3349.1 Ų49.113%0.12923%0.234CC..Hα-helixtrans-103.6-2.1-177.1-61.4-68.1000113.9L1401 M1404 M1431 F1437 L1609L1401-Y1435 HydrophobicContact CD1-CD1 4.01Å; L1401-Y1435 HydrophobicContact CD1-CE1 3.48Å; L1401-Y1435 VanDerWaalsContact CD1-CE1 3.48Å; L1401-Y1435 HydrophobicContact CD1-CE2 4.11Å; M1404-Y1435 WeakPolarHBondContact CE-O 3.29Å; M1431-Y1435 HydrophobicContact CE-CD2 4.24Å; M1431-Y1435 HydrophobicContact CE-CE2 4.17Å; M1431-Y1435 HydrophobicContact CG-CD2 3.74Å; M1431-Y1435 HydrophobicContact CG-CE2 3.9Å; M1431-Y1435 WeakPolarHBondContact O-CD2 3.49Å; M1431-Y1435 PolarHBondContact O-N 2.99Å; Y1435-F1437 HydrophobicContact CD2-CE1 4.32Å; Y1435-F1437 PolarHBondContact O-N 3.11Å; Y1435-L1609 HydrophobicContact CD2-CD2 4.49Å; Y1435-L1609 HydrophobicContact CE2-CD2 3.58Å
1436K92.8Very high91.8Very high188 Ų18847.9 Ų47.982%0.81723%0.228SC*.THydrogen-bonded Turntrans62.433.2177.1-52.5179.1-178176.30114.9A1432A1432-K1436 VanDerWaalsContact O-CA 3.25Å; A1432-K1436 WeakPolarHBondContact O-CA 3.39Å; A1432-K1436 PolarHBondContact O-N 2.78Å
1437F94Very high92Very high12 Ų1246.2 Ų46.25%0.05321%0.214CC..  trans-91.2159167.861.9-102.5000112.1M1400 M1404 F1413 M1431 A1432 Y1435 Y1439M1400-F1437 HydrophobicContact CE-CD2 4.35Å; M1400-F1437 HydrophobicContact CE-CE1 4.13Å; M1400-F1437 HydrophobicContact CE-CE2 3.5Å; M1400-F1437 VanDerWaalsContact CE-CE2 3.5Å; M1400-F1437 HydrophobicContact CE-CZ 3.36Å; M1404-F1437 HydrophobicContact CE-CB 4Å; M1404-F1437 HydrophobicContact CG-CB 4.49Å; M1404-F1437 HydrophobicContact CG-CD1 3.93Å; M1404-F1437 HydrophobicContact SD-CB 3.73Å; M1404-F1437 HydrophobicContact SD-CD1 4.26Å; M1404-F1437 HydrophobicContact SD-CG 4.43Å; F1413-F1437 HydrophobicContact CD2-CB 4.1Å; F1413-F1437 HydrophobicContact CD2-CD1 4.45Å; F1413-F1437 AromaticContact CD2-CD2 3.7Å; F1413-F1437 HydrophobicContact CD2-CD2 3.7Å; F1413-F1437 HydrophobicContact CD2-CE2 4.17Å; F1413-F1437 AromaticContact CD2-CG 3.86Å; F1413-F1437 HydrophobicContact CD2-CG 3.86Å; F1413-F1437 HydrophobicContact CE2-CB 4.05Å; F1413-F1437 HydrophobicContact CE2-CD1 4.17Å; F1413-F1437 HydrophobicContact CE2-CD2 4.23Å; F1413-F1437 AromaticContact CE2-CG 3.92Å; F1413-F1437 HydrophobicContact CE2-CG 3.92Å; M1431-F1437 HydrophobicContact CB-CZ 4.12Å; M1431-F1437 HydrophobicContact CE-CE1 4.34Å; M1431-F1437 HydrophobicContact CG-CE1 3.89Å; M1431-F1437 HydrophobicContact CG-CZ 3.86Å; M1431-F1437 HydrophobicContact SD-CE1 4.45Å; M1431-F1437 HydrophobicContact SD-CZ 4.22Å; A1432-F1437 VanDerWaalsContact CA-CZ 3.48Å; A1432-F1437 HydrophobicContact CB-CD2 3.82Å; A1432-F1437 HydrophobicContact CB-CE2 3.51Å; A1432-F1437 HydrophobicContact CB-CZ 3.96Å; A1432-F1437 PolarHBondContact O-N 3.3Å; Y1435-F1437 HydrophobicContact CD2-CE1 4.32Å; Y1435-F1437 PolarHBondContact O-N 3.11Å; F1437-Y1439 HydrophobicContact CE2-CD1 4.25Å
1438S95.2Very high91.7Very high55 Ų5550.8 Ų50.839%0.38523%0.231SC..EExtended strand (participates in β ladder)trans-97.5154.8165.764.40000110.2V1411 K1412 F1413V1411-S1438 PolarHBondContact O-N 2.91Å; V1411-S1438 PolarHBondContact O-OG 2.85Å; K1412-S1438 WeakPolarHBondContact CA-O 3.41Å; K1412-S1438 WeakPolarHBondContact CA-OG 3.31Å; K1412-S1438 VanDerWaalsContact CB-OG 3.26Å; K1412-S1438 WeakPolarHBondContact CB-OG 3.12Å; K1412-S1438 WeakPolarHBondContact CG-OG 3.42Å; F1413-S1438 PolarHBondContact N-O 2.99Å
1439Y94.1Very high91.3Very high72 Ų7252.9 Ų52.928%0.28224%0.239SC..EExtended strand (participates in β ladder)trans-146.5158.2174.174.3-82.4000111.6F1413 L1428 P1429 A1432 F1437 L1441F1413-Y1439 CarbonylContact O-C 3.49Å; F1413-Y1439 WeakPolarHBondContact O-CA 3.33Å; F1413-Y1439 WeakPolarHBondContact O-CB 3.42Å; L1428-Y1439 HydrophobicContact CB-CE1 4.39Å; L1428-Y1439 HydrophobicContact CB-CE2 4.07Å; L1428-Y1439 HydrophobicContact CD1-CD2 4.13Å; L1428-Y1439 HydrophobicContact CD1-CE2 4.05Å; P1429-Y1439 WeakPolarHBondContact CG-OH 3.5Å; A1432-Y1439 HydrophobicContact CB-CD1 3.71Å; A1432-Y1439 HydrophobicContact CB-CE1 3.82Å; F1437-Y1439 HydrophobicContact CE2-CD1 4.25Å; Y1439-L1441 HydrophobicContact CD2-CD2 4.16Å; Y1439-L1441 HydrophobicContact CD2-CG 4.3Å; Y1439-L1441 HydrophobicContact CE2-CD1 4.49Å; Y1439-L1441 HydrophobicContact CE2-CD2 4.35Å; Y1439-L1441 HydrophobicContact CE2-CG 4.17Å
1440E93.9Very high90.9Very high73 Ų7350 Ų5034%0.34122%0.22SC..EExtended strand (participates in β ladder)trans-144.3140.3175-163.9172.6138.900111.3K1412 F1413 W1414 L1415K1412-E1440 WeakPolarHBondContact CE-OE2 3.48Å; K1412-E1440 IonicContact NZ-OE2 3.84Å; K1412-E1440 PolarHBondContact NZ-OE2 2.83Å; F1413-E1440 PolarHBondContact O-N 3.41Å; W1414-E1440 WeakPolarHBondContact CA-O 3.48Å; W1414-E1440 HydrophobicContact CD2-CB 4.5Å; W1414-E1440 HydrophobicContact CE3-CB 3.8Å; W1414-E1440 HydrophobicContact CE3-CG 4.3Å; W1414-E1440 HydrophobicContact CZ3-CB 3.92Å; W1414-E1440 VanDerWaalsContact CZ3-CD 3.42Å; W1414-E1440 HydrophobicContact CZ3-CG 4.05Å; W1414-E1440 WeakPolarHBondContact CZ3-OE1 3.14Å; L1415-E1440 PolarHBondContact N-O 3Å; L1415-E1440 VanDerWaalsContact N-O 3.1Å
1441L92.4Very high90.7Very high46 Ų4652.2 Ų52.224%0.24123%0.231CC..EExtended strand (participates in β ladder)trans-10193.4-175.4-60.9-174.9000110.2L1415 K1417 L1420 K1425 L1428 Y1439L1415-L1441 HydrophobicContact CB-CD2 3.99Å; L1415-L1441 HydrophobicContact CD1-CD2 4.44Å; L1415-L1441 CarbonylContact O-C 3.56Å; L1415-L1441 WeakPolarHBondContact O-CA 3.28Å; K1417-L1441 HydrophobicContact CB-CB 4.02Å; K1417-L1441 HydrophobicContact CD-CB 4.05Å; K1417-L1441 HydrophobicContact CD-CD1 4.48Å; K1417-L1441 HydrophobicContact CG-CB 3.94Å; K1417-L1441 HydrophobicContact CG-CD1 4.18Å; L1420-L1441 HydrophobicContact CD1-CD2 3.78Å; K1425-L1441 HydrophobicContact CD-CD1 4.49Å; K1425-L1441 HydrophobicContact CG-CD1 4.43Å; L1428-L1441 HydrophobicContact CD1-CD2 3.95Å; Y1439-L1441 HydrophobicContact CD2-CD2 4.16Å; Y1439-L1441 HydrophobicContact CD2-CG 4.3Å; Y1439-L1441 HydrophobicContact CE2-CD1 4.49Å; Y1439-L1441 HydrophobicContact CE2-CD2 4.35Å; Y1439-L1441 HydrophobicContact CE2-CG 4.17Å
1442V92Very high90.4Very high6 Ų657.1 Ų57.14%0.03625%0.254CS..EExtended strand (participates in β ladder)trans-77.4152.7179.3-72.50000111.4F1370 W1414 L1415 L1416 K1417 L1471 F1472F1370-V1442 HydrophobicContact CE2-CG2 4.32Å; W1414-V1442 HydrophobicContact CE3-CG1 3.64Å; W1414-V1442 HydrophobicContact CZ3-CG1 4.06Å; L1415-V1442 WeakPolarHBondContact O-CG2 3.42Å; L1415-V1442 PolarHBondContact O-N 2.9Å; L1416-V1442 WeakPolarHBondContact CA-O 3.12Å; L1416-V1442 WeakPolarHBondContact CD1-O 3.34Å; K1417-V1442 WeakPolarHBondContact CB-O 3.14Å; K1417-V1442 PolarHBondContact N-O 2.89Å; V1442-L1471 HydrophobicContact CB-CD1 3.83Å; V1442-L1471 HydrophobicContact CB-CG 3.97Å; V1442-L1471 WeakPolarHBondContact CG1-O 3.21Å; V1442-L1471 HydrophobicContact CG2-CD1 4.01Å; V1442-L1471 HydrophobicContact CG2-CD2 4.13Å; V1442-L1471 HydrophobicContact CG2-CG 3.89Å; V1442-F1472 HydrophobicContact CG1-CD1 4.2Å; V1442-F1472 HydrophobicContact CG2-CE1 4.38Å
1443Q90.8Very high89.9Confident11 Ų1157.6 Ų57.65%0.05126%0.255CS..  trans-158.7151.1174.755.3174.6-34.100110.1E1208 K1255 K1417 N1418E1208-Q1443 PolarHBondContact OE2-NE2 3.25Å; K1255-Q1443 HydrophobicContact CD-CG 4.43Å; K1255-Q1443 WeakPolarHBondContact CE-O 3.29Å; K1255-Q1443 PolarHBondContact NZ-O 2.84Å; K1417-Q1443 HydrophobicContact CB-CB 4.32Å; N1418-Q1443 WeakPolarHBondContact OD1-CB 3.37Å; N1418-Q1443 PolarHBondContact OD1-OE1 3.15Å
1444Y91.9Very high89Confident5 Ų555.9 Ų55.92%0.0226%0.259CS..  trans-151.3146.8176.6-165.5-99.8000107.3M1246 Q1253 P1447 Y1463 F1467 V1470M1246-Y1444 HydrophobicContact CE-CE1 4.31Å; M1246-Y1444 VanDerWaalsContact CE-OH 3.27Å; M1246-Y1444 WeakPolarHBondContact CE-OH 3.38Å; Q1253-Y1444 VanDerWaalsContact CD-CZ 3.46Å; Q1253-Y1444 HydrophobicContact CG-CD2 4.21Å; Q1253-Y1444 HydrophobicContact CG-CE1 4.39Å; Q1253-Y1444 HydrophobicContact CG-CE2 3.48Å; Q1253-Y1444 VanDerWaalsContact CG-CE2 3.48Å; Y1444-P1447 HydrophobicContact CE1-CG 4.25Å; Y1444-Y1463 WeakPolarHBondContact O-CE1 3.16Å; Y1444-Y1463 PolarHBondContact O-OH 2.96Å; Y1444-Y1463 VanDerWaalsContact O-OH 3.12Å; Y1444-F1467 HydrophobicContact CD1-CB 4.42Å; Y1444-F1467 AromaticContact CD1-CD1 3.87Å; Y1444-F1467 HydrophobicContact CD1-CD1 3.87Å; Y1444-F1467 HydrophobicContact CD1-CE1 4.32Å; Y1444-F1467 HydrophobicContact CD1-CG 4.1Å; Y1444-F1467 AromaticContact CE1-CD1 3.83Å; Y1444-F1467 HydrophobicContact CE1-CD1 3.83Å; Y1444-F1467 HydrophobicContact CE1-CE1 4.18Å; Y1444-F1467 HydrophobicContact CE1-CG 4.49Å; Y1444-V1470 HydrophobicContact CD1-CG2 4.19Å; Y1444-V1470 HydrophobicContact CD2-CB 4.19Å; Y1444-V1470 HydrophobicContact CD2-CG2 3.98Å; Y1444-V1470 HydrophobicContact CE1-CG2 3.83Å; Y1444-V1470 HydrophobicContact CE2-CB 3.66Å; Y1444-V1470 HydrophobicContact CE2-CG2 3.61Å; Y1444-V1470 HydrophobicContact CG-CG2 4.27Å
1445K91.7Very high88.2Confident38 Ų3853 Ų5317%0.16526%0.256CS..PPolyproline II helixtrans-89.8134.5173.5-168.390.7175.4-159.10109.2H1176 W1178 L1179 L1211 Q1253 P1447H1176-K1445 WeakPolarHBondContact O-CE 3.3Å; H1176-K1445 PolarHBondContact O-NZ 3.32Å; W1178-K1445 PolarHBondContact O-NZ 2.84Å; L1179-K1445 HydrophobicContact CD2-CB 4.18Å; L1179-K1445 HydrophobicContact CD2-CD 4.02Å; L1211-K1445 HydrophobicContact CD1-CB 3.61Å; L1211-K1445 HydrophobicContact CD1-CD 4.07Å; L1211-K1445 HydrophobicContact CD1-CG 3.65Å; L1211-K1445 HydrophobicContact CD2-CB 4.24Å; Q1253-K1445 PolarHBondContact NE2-O 3.37Å; K1445-P1447 WeakPolarHBondContact O-CD 3.09Å
1446W91.2Very high87.4Confident5 Ų553.9 Ų53.92%0.01926%0.261CS..PPolyproline II helixtrans-57.2119.7169-161.6-70.7000110.3H1176 L1450 Q1452 V1459 Y1463 L1466 F1467 Y1563H1176-W1446 PolarHBondContact CE1-O 2.89Å; H1176-W1446 PolarHBondContact NE2-O 2.94Å; W1446-L1450 VanDerWaalsContact CD1-O 3.23Å; W1446-L1450 HydrophobicContact CZ2-CD2 4.45Å; W1446-L1450 HydrophobicContact CZ2-CG 4.49Å; W1446-L1450 PolarHBondContact NE1-O 3.1Å; W1446-Q1452 HydrophobicContact CD2-CB 4.46Å; W1446-Q1452 HydrophobicContact CD2-CG 3.94Å; W1446-Q1452 HydrophobicContact CE3-CG 4.5Å; W1446-Q1452 HydrophobicContact CG-CB 4.29Å; W1446-Q1452 HydrophobicContact CG-CG 3.91Å; W1446-V1459 HydrophobicContact CE3-CG1 4.04Å; W1446-V1459 HydrophobicContact CZ3-CG1 4.09Å; W1446-Y1463 HydrophobicContact CE3-CE2 4.11Å; W1446-Y1463 PolarHBondContact N-OH 3.39Å; W1446-L1466 HydrophobicContact CH2-CD1 3.73Å; W1446-L1466 HydrophobicContact CZ2-CD1 4Å; W1446-F1467 HydrophobicContact CD2-CE2 4.08Å; W1446-F1467 AromaticContact CD2-CZ 3.87Å; W1446-F1467 HydrophobicContact CD2-CZ 3.87Å; W1446-F1467 AromaticContact CE3-CE2 3.67Å; W1446-F1467 HydrophobicContact CE3-CE2 3.67Å; W1446-F1467 AromaticContact CE3-CZ 3.97Å; W1446-F1467 HydrophobicContact CE3-CZ 3.97Å; W1446-F1467 HydrophobicContact CG-CZ 4.19Å; W1446-F1467 AromaticContact CZ3-CE2 3.99Å; W1446-F1467 HydrophobicContact CZ3-CE2 3.99Å; W1446-F1467 HydrophobicContact CZ3-CZ 4.46Å; W1446-Y1563 AromaticContact CZ2-CE1 3.85Å; W1446-Y1563 HydrophobicContact CZ2-CE1 3.85Å; W1446-Y1563 AromaticContact CZ2-CZ 3.8Å
1447P88.9Confident86.6Confident1 Ų147.3 Ų47.31%0.00623%0.233CC..PPolyproline II helixtrans-66.9142.8-174.3-23.634.8000113.7Y1251 Y1444 K1445 W1449 L1450 F1467Y1251-P1447 HydrophobicContact CD1-CB 4.12Å; Y1251-P1447 HydrophobicContact CD1-CG 4.18Å; Y1251-P1447 HydrophobicContact CE1-CB 3.66Å; Y1251-P1447 HydrophobicContact CE1-CG 3.73Å; Y1444-P1447 HydrophobicContact CE1-CG 4.25Å; K1445-P1447 WeakPolarHBondContact O-CD 3.09Å; P1447-W1449 VanDerWaalsContact C-N 3.26Å; P1447-W1449 HydrophobicContact CB-CG 4.44Å; P1447-W1449 HydrophobicContact CB-CZ2 4.47Å; P1447-W1449 PolarHBondContact O-N 2.84Å; P1447-W1449 VanDerWaalsContact O-N 3.15Å; P1447-L1450 HydrophobicContact CB-CB 4.42Å; P1447-L1450 PolarHBondContact O-N 2.93Å; P1447-F1467 HydrophobicContact CG-CE1 4.25Å
1448R81Confident85.9Confident97 Ų9750.1 Ų50.137%0.36624%0.243SC..THydrogen-bonded Turntrans-50.2-40.5179.5-59.1-174.1-167.4-123.75.7114.7E433 H1176 E1213 S1301 L1450E433-R1448 PolarHBondContact O-NH1 3.12Å; H1176-R1448 WeakPolarHBondContact NE2-CG 3.35Å; E1213-R1448 IonicContact OE1-CZ 2.77Å; E1213-R1448 IonicContact OE1-NE 3.73Å; E1213-R1448 PolarHBondContact OE1-NE 3.43Å; E1213-R1448 IonicContact OE1-NH2 2.71Å; E1213-R1448 PolarHBondContact OE1-NH2 2.85Å; E1213-R1448 IonicContact OE2-NE 3.16Å; S1301-R1448 PolarHBondContact OG-NH2 2.97Å; R1448-L1450 VanDerWaalsContact C-N 3.26Å; R1448-L1450 PolarHBondContact O-N 3.34Å
1449W81.2Confident85.4Confident45 Ų4547.8 Ų47.817%0.1723%0.227CC..THydrogen-bonded Turntrans-75-12.6-177.162.6-98.7000113.7M1246 N1248 L1249 Y1251 P1447 R1560 H1564M1246-W1449 HydrophobicContact SD-CZ2 3.83Å; N1248-W1449 HydrophobicContact CB-CH2 3.56Å; N1248-W1449 HydrophobicContact CB-CZ2 3.87Å; N1248-W1449 HydrophobicContact CB-CZ3 3.97Å; N1248-W1449 VanDerWaalsContact ND2-CH2 3.3Å; N1248-W1449 WeakPolarHBondContact ND2-CH2 3.42Å; N1248-W1449 WeakPolarHBondContact ND2-CZ3 3.4Å; L1249-W1449 HydrophobicContact CD1-CB 3.85Å; L1249-W1449 HydrophobicContact CD1-CD2 4.33Å; L1249-W1449 HydrophobicContact CD1-CG 3.89Å; Y1251-W1449 AromaticContact CD1-NE1 3.65Å; Y1251-W1449 AromaticContact CD2-CD1 3.92Å; Y1251-W1449 AromaticContact CD2-NE1 3.77Å; Y1251-W1449 AromaticContact CG-CD1 3.96Å; Y1251-W1449 AromaticContact CG-NE1 3.33Å; Y1251-W1449 VanDerWaalsContact CG-NE1 3.33Å; P1447-W1449 VanDerWaalsContact C-N 3.26Å; P1447-W1449 HydrophobicContact CB-CG 4.44Å; P1447-W1449 HydrophobicContact CB-CZ2 4.47Å; P1447-W1449 PolarHBondContact O-N 2.84Å; P1447-W1449 VanDerWaalsContact O-N 3.15Å; W1449-R1560 HydrophobicContact CH2-CB 4.11Å; W1449-H1564 PolarHBondContact O-CE1 2.69Å; W1449-H1564 PolarHBondContact O-ND1 3.1Å; W1449-H1564 VanDerWaalsContact O-ND1 3.13Å
1450L85.4Confident84.8Confident2 Ų245 Ų451%0.0122%0.217CC..SBendtrans-100114.7-177-172.863.4000109.3W1446 P1447 R1448 Q1452 F1467 R1560 Y1563 H1564W1446-L1450 VanDerWaalsContact CD1-O 3.23Å; W1446-L1450 HydrophobicContact CZ2-CD2 4.45Å; W1446-L1450 HydrophobicContact CZ2-CG 4.49Å; W1446-L1450 PolarHBondContact NE1-O 3.1Å; P1447-L1450 HydrophobicContact CB-CB 4.42Å; P1447-L1450 PolarHBondContact O-N 2.93Å; R1448-L1450 VanDerWaalsContact C-N 3.26Å; R1448-L1450 PolarHBondContact O-N 3.34Å; L1450-Q1452 PolarHBondContact O-N 2.89Å; L1450-F1467 HydrophobicContact CD2-CE1 3.77Å; L1450-F1467 HydrophobicContact CD2-CZ 3.71Å; L1450-R1560 HydrophobicContact CD1-CB 4.3Å; L1450-R1560 HydrophobicContact CD2-CG 4.17Å; L1450-Y1563 HydrophobicContact CD1-CD1 3.74Å; L1450-Y1563 HydrophobicContact CD1-CE1 4.1Å; L1450-Y1563 HydrophobicContact CG-CD1 4.29Å; L1450-Y1563 HydrophobicContact CG-CE1 4.23Å; L1450-H1564 HydrophobicContact CD1-CB 4.09Å
1451H86.2Confident84.3Confident83 Ų8343.4 Ų43.438%0.38421%0.207SC..  trans-52.7110.6-175.8179.4-84000112.7Y1563 S1567H1451-Y1563 WeakPolarHBondContact O-CE1 3.39Å; H1451-Y1563 PolarHBondContact O-OH 3.27Å; H1451-S1567 WeakPolarHBondContact CB-OG 3.11Å; H1451-S1567 PolarHBondContact CE1-O 3.3Å; H1451-S1567 PolarHBondContact ND1-O 2.87Å; H1451-S1567 PolarHBondContact ND1-OG 3.07Å
1452Q84.6Confident84.2Confident104 Ų10441.6 Ų41.649%0.48620%0.199SC..  trans-81145-175-166-179-34.700111.7W1446 L1450W1446-Q1452 HydrophobicContact CD2-CB 4.46Å; W1446-Q1452 HydrophobicContact CD2-CG 3.94Å; W1446-Q1452 HydrophobicContact CE3-CG 4.5Å; W1446-Q1452 HydrophobicContact CG-CB 4.29Å; W1446-Q1452 HydrophobicContact CG-CG 3.91Å; L1450-Q1452 PolarHBondContact O-N 2.89Å
1453Q83.4Confident84.1Confident21 Ų2141.8 Ų41.810%0.09820%0.199CC..  trans-78.4145.7169.8-62.9-67.7-48.500110.7R1458 V1459 Y1563Q1453-R1458 HydrophobicContact CB-CB 3.73Å; Q1453-R1458 HydrophobicContact CG-CB 3.83Å; Q1453-V1459 HydrophobicContact CB-CG2 3.89Å; Q1453-V1459 WeakPolarHBondContact O-CG2 3.48Å; Q1453-Y1563 WeakPolarHBondContact CG-OH 3.47Å; Q1453-Y1563 PolarHBondContact NE2-OH 3.33Å
1454T74.6Confident84Confident142 Ų14242.2 Ų42.287%0.87120%0.201SC*.SBendtrans-81.5-41176.649.80000112.6
1455V75.3Confident83.9Confident73 Ų7344 Ų4444%0.44221%0.211SC..SBendtrans-75125-177.2-179.80000110.9Q1457 R1458 V1459V1455-Q1457 VanDerWaalsContact C-N 3.28Å; V1455-Q1457 HydrophobicContact CG1-CB 4.31Å; V1455-Q1457 PolarHBondContact O-N 2.93Å; V1455-Q1457 VanDerWaalsContact O-N 3.17Å; V1455-R1458 HydrophobicContact CB-CB 4.39Å; V1455-R1458 HydrophobicContact CB-CG 4.22Å; V1455-R1458 PolarHBondContact O-N 3.09Å; V1455-V1459 PolarHBondContact O-N 3.12Å; V1455-V1459 VanDerWaalsContact O-N 3.08Å
1456K74.9Confident83.9Confident53 Ų5342.5 Ų42.523%0.2320%0.204CC..Hα-helixtrans-49.5-44.6-176.7-166.5-179.9-173-174.60113.3D1190 Y1419 V1459 M1460D1190-K1456 IonicContact OD1-NZ 2.91Å; D1190-K1456 PolarHBondContact OD1-NZ 3.35Å; D1190-K1456 IonicContact OD2-NZ 3.93Å; D1190-K1456 PolarHBondContact OD2-NZ 2.99Å; Y1419-K1456 VanDerWaalsContact CD1-CE 3.46Å; Y1419-K1456 HydrophobicContact CE1-CG 4.16Å; K1456-V1459 PolarHBondContact O-N 2.92Å; K1456-M1460 HydrophobicContact CG-CE 4.46Å; K1456-M1460 WeakPolarHBondContact O-CG 3.11Å; K1456-M1460 PolarHBondContact O-N 3.42Å
1457Q75.2Confident84Confident50 Ų5042.2 Ų42.223%0.23420%0.203CC..Hα-helixtrans-60.5-45.3177.1-167.8-1781600112.7V1455 V1459 M1460 W1461V1455-Q1457 VanDerWaalsContact C-N 3.28Å; V1455-Q1457 HydrophobicContact CG1-CB 4.31Å; V1455-Q1457 PolarHBondContact O-N 2.93Å; V1455-Q1457 VanDerWaalsContact O-N 3.17Å; Q1457-V1459 VanDerWaalsContact C-N 3.32Å; Q1457-V1459 PolarHBondContact O-N 2.83Å; Q1457-M1460 PolarHBondContact O-N 3.39Å; Q1457-W1461 HydrophobicContact CG-CD2 4.33Å; Q1457-W1461 HydrophobicContact CG-CH2 4.09Å; Q1457-W1461 HydrophobicContact CG-CZ2 3.69Å; Q1457-W1461 VanDerWaalsContact NE2-CZ2 3.33Å; Q1457-W1461 PolarHBondContact O-N 3.14Å
1458R80.1Confident84.1Confident70 Ų7042.2 Ų42.226%0.26420%0.203SC..Hα-helixtrans-65.3-34.5176.8-66.8-169.6176.3-158.6-0112.4Q1453 V1455 W1461 G1462 P1570Q1453-R1458 HydrophobicContact CB-CB 3.73Å; Q1453-R1458 HydrophobicContact CG-CB 3.83Å; V1455-R1458 HydrophobicContact CB-CB 4.39Å; V1455-R1458 HydrophobicContact CB-CG 4.22Å; V1455-R1458 PolarHBondContact O-N 3.09Å; R1458-W1461 HydrophobicContact CB-CE3 4.31Å; R1458-W1461 HydrophobicContact CG-CE3 3.96Å; R1458-W1461 HydrophobicContact CG-CZ3 3.91Å; R1458-W1461 PolarHBondContact O-N 3.13Å; R1458-G1462 PolarHBondContact O-N 2.68Å; R1458-P1570 PolarHBondContact NH1-O 3.21Å; R1458-P1570 PolarHBondContact NH2-O 3.2Å
1459V84.4Confident84.6Confident7 Ų737.7 Ų37.74%0.04219%0.186CC..Hα-helixtrans-64.1-45.2173.1-178.80000110.9Y1419 W1446 Q1453 V1455 K1456 Q1457 W1461 G1462 Y1463Y1419-V1459 VanDerWaalsContact OH-CG1 3.28Å; Y1419-V1459 WeakPolarHBondContact OH-CG1 3.5Å; W1446-V1459 HydrophobicContact CE3-CG1 4.04Å; W1446-V1459 HydrophobicContact CZ3-CG1 4.09Å; Q1453-V1459 HydrophobicContact CB-CG2 3.89Å; Q1453-V1459 WeakPolarHBondContact O-CG2 3.48Å; V1455-V1459 PolarHBondContact O-N 3.12Å; V1455-V1459 VanDerWaalsContact O-N 3.08Å; K1456-V1459 PolarHBondContact O-N 2.92Å; Q1457-V1459 VanDerWaalsContact C-N 3.32Å; Q1457-V1459 PolarHBondContact O-N 2.83Å; V1459-W1461 VanDerWaalsContact C-N 3.35Å; V1459-W1461 PolarHBondContact O-N 2.8Å; V1459-G1462 WeakPolarHBondContact O-CA 3.07Å; V1459-G1462 PolarHBondContact O-N 2.92Å; V1459-G1462 VanDerWaalsContact O-N 3.08Å; V1459-Y1463 HydrophobicContact CG1-CD2 4.05Å; V1459-Y1463 HydrophobicContact CG1-CE2 3.66Å; V1459-Y1463 VanDerWaalsContact O-CD2 3.29Å; V1459-Y1463 WeakPolarHBondContact O-CD2 3.31Å; V1459-Y1463 PolarHBondContact O-N 2.9Å; V1459-Y1463 VanDerWaalsContact O-N 3.12Å
1460M82.3Confident85.2Confident14 Ų1436.3 Ų36.37%0.06918%0.183CC..Hα-helixtrans-62.8-38.7176.5-67.5-175.4-62.700112.4S1374 Y1419 K1456 Q1457 G1462 Y1463 K1464S1374-M1460 VanDerWaalsContact CB-SD 3.54Å; Y1419-M1460 HydrophobicContact CD1-CG 4.06Å; Y1419-M1460 HydrophobicContact CD1-SD 3.88Å; Y1419-M1460 HydrophobicContact CD2-CG 3.87Å; Y1419-M1460 HydrophobicContact CD2-SD 4.2Å; Y1419-M1460 HydrophobicContact CE1-CG 4.01Å; Y1419-M1460 HydrophobicContact CE1-SD 4.37Å; Y1419-M1460 HydrophobicContact CE2-CG 3.82Å; Y1419-M1460 HydrophobicContact CG-CG 3.98Å; Y1419-M1460 HydrophobicContact CG-SD 3.77Å; K1456-M1460 HydrophobicContact CG-CE 4.46Å; K1456-M1460 WeakPolarHBondContact O-CG 3.11Å; K1456-M1460 PolarHBondContact O-N 3.42Å; Q1457-M1460 PolarHBondContact O-N 3.39Å; M1460-G1462 VanDerWaalsContact C-N 3.31Å; M1460-G1462 PolarHBondContact O-N 2.94Å; M1460-Y1463 PolarHBondContact O-N 3.12Å; M1460-Y1463 VanDerWaalsContact O-N 3.15Å; M1460-K1464 PolarHBondContact O-N 2.96Å; M1460-K1464 VanDerWaalsContact O-N 3.14Å
1461W83.6Confident85.5Confident39 Ų3936.4 Ų36.415%0.14818%0.183CC..Hα-helixtrans-61.9-36.1170.9-65.6-27.8000112.8Q1457 R1458 V1459 Y1463 K1464 N1575 D1577Q1457-W1461 HydrophobicContact CG-CD2 4.33Å; Q1457-W1461 HydrophobicContact CG-CH2 4.09Å; Q1457-W1461 HydrophobicContact CG-CZ2 3.69Å; Q1457-W1461 VanDerWaalsContact NE2-CZ2 3.33Å; Q1457-W1461 PolarHBondContact O-N 3.14Å; R1458-W1461 HydrophobicContact CB-CE3 4.31Å; R1458-W1461 HydrophobicContact CG-CE3 3.96Å; R1458-W1461 HydrophobicContact CG-CZ3 3.91Å; R1458-W1461 PolarHBondContact O-N 3.13Å; V1459-W1461 VanDerWaalsContact C-N 3.35Å; V1459-W1461 PolarHBondContact O-N 2.8Å; W1461-Y1463 VanDerWaalsContact C-N 3.34Å; W1461-Y1463 PolarHBondContact O-N 3.42Å; W1461-K1464 WeakPolarHBondContact O-CB 3.28Å; W1461-K1464 PolarHBondContact O-N 2.88Å; W1461-K1464 VanDerWaalsContact O-N 3.17Å; W1461-N1575 HydrophobicContact CD2-CB 3.99Å; W1461-N1575 HydrophobicContact CE3-CB 3.55Å; W1461-N1575 HydrophobicContact CH2-CB 3.71Å; W1461-N1575 VanDerWaalsContact CH2-O 3.27Å; W1461-N1575 WeakPolarHBondContact CH2-O 3.02Å; W1461-N1575 HydrophobicContact CZ2-CB 4.1Å; W1461-N1575 HydrophobicContact CZ3-CB 3.43Å; W1461-N1575 VanDerWaalsContact CZ3-CB 3.43Å; W1461-D1577 HydrophobicContact CZ2-CB 4.48Å
1462G89.1Confident85.8Confident7 Ų732.7 Ų32.77%0.07217%0.166CC..Hα-helixtrans-59.2-43.1170.700000112.5R1458 V1459 M1460 K1464 I1465 L1466R1458-G1462 PolarHBondContact O-N 2.68Å; V1459-G1462 WeakPolarHBondContact O-CA 3.07Å; V1459-G1462 PolarHBondContact O-N 2.92Å; V1459-G1462 VanDerWaalsContact O-N 3.08Å; M1460-G1462 VanDerWaalsContact C-N 3.31Å; M1460-G1462 PolarHBondContact O-N 2.94Å; G1462-K1464 VanDerWaalsContact C-N 3.28Å; G1462-K1464 PolarHBondContact O-N 2.69Å; G1462-I1465 PolarHBondContact O-N 3.29Å; G1462-L1466 WeakPolarHBondContact O-CB 3.29Å; G1462-L1466 WeakPolarHBondContact O-CG 3.38Å; G1462-L1466 PolarHBondContact O-N 2.88Å
1463Y90.6Very high86.1Confident10 Ų1029 Ų294%0.03915%0.151CC..Hα-helixtrans-68.2-19.5175.1-73.7-74.6000114.7L1416 Y1419 Y1444 W1446 V1459 M1460 W1461 I1465 F1467L1416-Y1463 HydrophobicContact CD2-CD1 3.98Å; L1416-Y1463 HydrophobicContact CD2-CD2 3.82Å; L1416-Y1463 HydrophobicContact CD2-CG 3.52Å; Y1419-Y1463 HydrophobicContact CE2-CD2 4.05Å; Y1419-Y1463 HydrophobicContact CE2-CE2 4.16Å; Y1444-Y1463 WeakPolarHBondContact O-CE1 3.16Å; Y1444-Y1463 PolarHBondContact O-OH 2.96Å; Y1444-Y1463 VanDerWaalsContact O-OH 3.12Å; W1446-Y1463 HydrophobicContact CE3-CE2 4.11Å; W1446-Y1463 PolarHBondContact N-OH 3.39Å; V1459-Y1463 HydrophobicContact CG1-CD2 4.05Å; V1459-Y1463 HydrophobicContact CG1-CE2 3.66Å; V1459-Y1463 VanDerWaalsContact O-CD2 3.29Å; V1459-Y1463 WeakPolarHBondContact O-CD2 3.31Å; V1459-Y1463 PolarHBondContact O-N 2.9Å; V1459-Y1463 VanDerWaalsContact O-N 3.12Å; M1460-Y1463 PolarHBondContact O-N 3.12Å; M1460-Y1463 VanDerWaalsContact O-N 3.15Å; W1461-Y1463 VanDerWaalsContact C-N 3.34Å; W1461-Y1463 PolarHBondContact O-N 3.42Å; Y1463-I1465 PolarHBondContact O-N 3.19Å; Y1463-F1467 AromaticContact CD1-CD2 3.48Å; Y1463-F1467 HydrophobicContact CD1-CD2 3.48Å; Y1463-F1467 VanDerWaalsContact CD1-CD2 3.48Å; Y1463-F1467 AromaticContact CD1-CE2 3.93Å; Y1463-F1467 HydrophobicContact CD1-CE2 3.93Å; Y1463-F1467 HydrophobicContact CD1-CG 4.47Å; Y1463-F1467 AromaticContact CE1-CD2 3.71Å; Y1463-F1467 HydrophobicContact CE1-CD2 3.71Å; Y1463-F1467 AromaticContact CE1-CE2 3.84Å; Y1463-F1467 HydrophobicContact CE1-CE2 3.84Å; Y1463-F1467 HydrophobicContact CG-CD2 4.25Å
1464K88.4Confident86.2Confident21 Ų2128.3 Ų28.39%0.09115%0.148CC..Hα-helixtrans-62.7-27.4170.3-69.5-173.3175.8-171.80112.4L1372 M1460 W1461 G1462 F1481 D1483 Y1543L1372-K1464 HydrophobicContact CD1-CB 4.36Å; L1372-K1464 HydrophobicContact CD1-CG 3.45Å; L1372-K1464 VanDerWaalsContact CD1-CG 3.45Å; M1460-K1464 PolarHBondContact O-N 2.96Å; M1460-K1464 VanDerWaalsContact O-N 3.14Å; W1461-K1464 WeakPolarHBondContact O-CB 3.28Å; W1461-K1464 PolarHBondContact O-N 2.88Å; W1461-K1464 VanDerWaalsContact O-N 3.17Å; G1462-K1464 VanDerWaalsContact C-N 3.28Å; G1462-K1464 PolarHBondContact O-N 2.69Å; K1464-F1481 HydrophobicContact CD-CE1 4.28Å; K1464-F1481 HydrophobicContact CD-CZ 3.93Å; K1464-F1481 HydrophobicContact CG-CE2 4.38Å; K1464-F1481 HydrophobicContact CG-CZ 4.23Å; K1464-D1483 IonicContact NZ-OD1 2.7Å; K1464-D1483 PolarHBondContact NZ-OD1 3.11Å; K1464-D1483 IonicContact NZ-OD2 2.58Å; K1464-D1483 PolarHBondContact NZ-OD2 2.64Å; K1464-Y1543 PolarHBondContact O-OH 2.72Å
1465I89.7Confident86.6Confident42 Ų4225.8 Ų25.822%0.21513%0.129CC..Hα-helixtrans-136.4-36.8-166.1-170.456.7000116G1462 Y1463 F1467 L1468 L1559G1462-I1465 PolarHBondContact O-N 3.29Å; Y1463-I1465 PolarHBondContact O-N 3.19Å; I1465-F1467 VanDerWaalsContact C-N 3.34Å; I1465-F1467 PolarHBondContact O-N 2.97Å; I1465-L1468 HydrophobicContact CD1-CD1 3.93Å; I1465-L1559 HydrophobicContact CD1-CD1 3.99Å; I1465-L1559 HydrophobicContact CG1-CD1 4.14Å; I1465-L1559 HydrophobicContact CG1-CD2 4.49Å
1466L91Very high87.2Confident6 Ų622.8 Ų22.83%0.03111%0.111CC..THydrogen-bonded Turntrans-77.4-14-167.2-61.9179.2000115.1W1446 G1462 L1559 R1560 Y1563W1446-L1466 HydrophobicContact CH2-CD1 3.73Å; W1446-L1466 HydrophobicContact CZ2-CD1 4Å; G1462-L1466 WeakPolarHBondContact O-CB 3.29Å; G1462-L1466 WeakPolarHBondContact O-CG 3.38Å; G1462-L1466 PolarHBondContact O-N 2.88Å; L1466-L1559 HydrophobicContact CD2-CB 4.5Å; L1466-R1560 HydrophobicContact CB-CG 4.37Å; L1466-R1560 WeakPolarHBondContact O-CD 3.34Å; L1466-R1560 WeakPolarHBondContact O-CG 3.3Å; L1466-R1560 PolarHBondContact O-NH1 3.03Å; L1466-Y1563 HydrophobicContact CD1-CD1 3.89Å; L1466-Y1563 HydrophobicContact CD1-CD2 3.9Å; L1466-Y1563 HydrophobicContact CD1-CE1 4.15Å; L1466-Y1563 HydrophobicContact CD1-CE2 4.16Å; L1466-Y1563 HydrophobicContact CD1-CG 3.79Å; L1466-Y1563 HydrophobicContact CD2-CD2 4.34Å; L1466-Y1563 HydrophobicContact CD2-CG 3.96Å
1467F93.2Very high87.8Confident0 Ų025.5 Ų25.50%012%0.123CC..THydrogen-bonded Turntrans-131.213.2-169-53.6-64.2000113.9Y1444 W1446 P1447 L1450 Y1463 I1465 D1469 V1470 L1471Y1444-F1467 HydrophobicContact CD1-CB 4.42Å; Y1444-F1467 AromaticContact CD1-CD1 3.87Å; Y1444-F1467 HydrophobicContact CD1-CD1 3.87Å; Y1444-F1467 HydrophobicContact CD1-CE1 4.32Å; Y1444-F1467 HydrophobicContact CD1-CG 4.1Å; Y1444-F1467 AromaticContact CE1-CD1 3.83Å; Y1444-F1467 HydrophobicContact CE1-CD1 3.83Å; Y1444-F1467 HydrophobicContact CE1-CE1 4.18Å; Y1444-F1467 HydrophobicContact CE1-CG 4.49Å; W1446-F1467 HydrophobicContact CD2-CE2 4.08Å; W1446-F1467 AromaticContact CD2-CZ 3.87Å; W1446-F1467 HydrophobicContact CD2-CZ 3.87Å; W1446-F1467 AromaticContact CE3-CE2 3.67Å; W1446-F1467 HydrophobicContact CE3-CE2 3.67Å; W1446-F1467 AromaticContact CE3-CZ 3.97Å; W1446-F1467 HydrophobicContact CE3-CZ 3.97Å; W1446-F1467 HydrophobicContact CG-CZ 4.19Å; W1446-F1467 AromaticContact CZ3-CE2 3.99Å; W1446-F1467 HydrophobicContact CZ3-CE2 3.99Å; W1446-F1467 HydrophobicContact CZ3-CZ 4.46Å; P1447-F1467 HydrophobicContact CG-CE1 4.25Å; L1450-F1467 HydrophobicContact CD2-CE1 3.77Å; L1450-F1467 HydrophobicContact CD2-CZ 3.71Å; Y1463-F1467 AromaticContact CD1-CD2 3.48Å; Y1463-F1467 HydrophobicContact CD1-CD2 3.48Å; Y1463-F1467 VanDerWaalsContact CD1-CD2 3.48Å; Y1463-F1467 AromaticContact CD1-CE2 3.93Å; Y1463-F1467 HydrophobicContact CD1-CE2 3.93Å; Y1463-F1467 HydrophobicContact CD1-CG 4.47Å; Y1463-F1467 AromaticContact CE1-CD2 3.71Å; Y1463-F1467 HydrophobicContact CE1-CD2 3.71Å; Y1463-F1467 AromaticContact CE1-CE2 3.84Å; Y1463-F1467 HydrophobicContact CE1-CE2 3.84Å; Y1463-F1467 HydrophobicContact CG-CD2 4.25Å; I1465-F1467 VanDerWaalsContact C-N 3.34Å; I1465-F1467 PolarHBondContact O-N 2.97Å; F1467-D1469 PolarHBondContact O-N 3.38Å; F1467-D1469 VanDerWaalsContact O-N 3.13Å; F1467-V1470 HydrophobicContact CB-CG2 3.89Å; F1467-V1470 HydrophobicContact CD1-CG2 4.32Å; F1467-V1470 WeakPolarHBondContact O-CG2 3.46Å; F1467-V1470 PolarHBondContact O-N 3.19Å; F1467-L1471 VanDerWaalsContact O-CB 3.22Å; F1467-L1471 WeakPolarHBondContact O-CB 3.48Å; F1467-L1471 PolarHBondContact O-N 2.96Å
1468L92.8Very high88.7Confident0 Ų023.7 Ų23.70%011%0.114CC..THydrogen-bonded Turntrans-59.7-26.4-174.8-65.9171.6000113.8F1370 I1465 F1472 I1479 V1545 L1547 F1550F1370-L1468 HydrophobicContact CD1-CD2 4.43Å; F1370-L1468 HydrophobicContact CE1-CD2 4.19Å; I1465-L1468 HydrophobicContact CD1-CD1 3.93Å; L1468-F1472 HydrophobicContact CD2-CE2 3.97Å; L1468-F1472 WeakPolarHBondContact O-CD2 3.5Å; L1468-I1479 HydrophobicContact CD2-CD1 4.33Å; L1468-V1545 HydrophobicContact CD1-CG1 4.39Å; L1468-V1545 HydrophobicContact CD1-CG2 4.09Å; L1468-L1547 HydrophobicContact CB-CD2 4.39Å; L1468-L1547 VanDerWaalsContact O-CD2 3.3Å; L1468-L1547 WeakPolarHBondContact O-CD2 3.49Å; L1468-F1550 HydrophobicContact CB-CE1 4.15Å; L1468-F1550 HydrophobicContact CB-CZ 4.01Å; L1468-F1550 HydrophobicContact CD1-CE2 4.24Å; L1468-F1550 HydrophobicContact CD1-CZ 4.32Å
1469D91.5Very high89.3Confident3 Ų320.4 Ų20.42%0.01610%0.102CC..THydrogen-bonded Turntrans-72.4-32.117550.3-15.5000114.2I1244 F1467 F1550 R1551 R1560I1244-D1469 HydrophobicContact CD1-CB 4.05Å; F1467-D1469 PolarHBondContact O-N 3.38Å; F1467-D1469 VanDerWaalsContact O-N 3.13Å; D1469-F1550 HydrophobicContact CB-CD1 3.9Å; D1469-F1550 HydrophobicContact CB-CE1 3.81Å; D1469-R1551 HydrophobicContact CB-CG 3.88Å; D1469-R1551 PolarHBondContact O-NE 3.25Å; D1469-R1551 PolarHBondContact O-NH2 3.37Å; D1469-R1560 VanDerWaalsContact CG-NH1 3.34Å; D1469-R1560 IonicContact OD1-CZ 3.3Å; D1469-R1560 IonicContact OD1-NH1 2.69Å; D1469-R1560 PolarHBondContact OD1-NH1 2.89Å; D1469-R1560 IonicContact OD1-NH2 2.74Å; D1469-R1560 IonicContact OD2-CZ 2.68Å; D1469-R1560 IonicContact OD2-NH1 3.09Å; D1469-R1560 PolarHBondContact OD2-NH1 2.91Å; D1469-R1560 VanDerWaalsContact OD2-NH1 3.1Å; D1469-R1560 IonicContact OD2-NH2 3.98Å; D1469-R1560 PolarHBondContact OD2-NH2 3.45Å
1470V92.8Very high89.8Confident16 Ų1620 Ų2010%0.09710%0.1CC..THydrogen-bonded Turntrans-112.3-14.1-172-68.30000114.9I1244 M1246 Y1444 F1467I1244-V1470 HydrophobicContact CD1-CG1 4.02Å; I1244-V1470 HydrophobicContact CG1-CG1 3.51Å; M1246-V1470 HydrophobicContact CE-CB 4.43Å; M1246-V1470 HydrophobicContact CE-CG1 3.83Å; M1246-V1470 HydrophobicContact CE-CG2 3.85Å; Y1444-V1470 HydrophobicContact CD1-CG2 4.19Å; Y1444-V1470 HydrophobicContact CD2-CB 4.19Å; Y1444-V1470 HydrophobicContact CD2-CG2 3.98Å; Y1444-V1470 HydrophobicContact CE1-CG2 3.83Å; Y1444-V1470 HydrophobicContact CE2-CB 3.66Å; Y1444-V1470 HydrophobicContact CE2-CG2 3.61Å; Y1444-V1470 HydrophobicContact CG-CG2 4.27Å; F1467-V1470 HydrophobicContact CB-CG2 3.89Å; F1467-V1470 HydrophobicContact CD1-CG2 4.32Å; F1467-V1470 WeakPolarHBondContact O-CG2 3.46Å; F1467-V1470 PolarHBondContact O-N 3.19Å
1471L92Very high90.4Very high4 Ų419.4 Ų19.42%0.02110%0.097CC..SBendtrans-75.4-30.1-178.2-177.662.5000112.6F1370 L1416 V1442 F1467F1370-L1471 HydrophobicContact CE1-CD2 4.45Å; F1370-L1471 HydrophobicContact CE2-CD2 4.05Å; F1370-L1471 HydrophobicContact CZ-CD2 3.73Å; L1416-L1471 HydrophobicContact CD1-CD1 3.9Å; V1442-L1471 HydrophobicContact CB-CD1 3.83Å; V1442-L1471 HydrophobicContact CB-CG 3.97Å; V1442-L1471 WeakPolarHBondContact CG1-O 3.21Å; V1442-L1471 HydrophobicContact CG2-CD1 4.01Å; V1442-L1471 HydrophobicContact CG2-CD2 4.13Å; V1442-L1471 HydrophobicContact CG2-CG 3.89Å; F1467-L1471 VanDerWaalsContact O-CB 3.22Å; F1467-L1471 WeakPolarHBondContact O-CB 3.48Å; F1467-L1471 PolarHBondContact O-N 2.96Å
1472F93.3Very high90.8Very high5 Ų517.6 Ų17.62%0.0229%0.09CC..SBendtrans-107.5147.4-179.6-49.6-83.6000111.2F1370 W1414 V1442 L1468 V1476 I1479 L1547 R1551F1370-F1472 HydrophobicContact CB-CE1 4.29Å; F1370-F1472 HydrophobicContact CB-CZ 4.09Å; F1370-F1472 AromaticContact CD1-CZ 3.77Å; F1370-F1472 HydrophobicContact CD1-CZ 3.77Å; F1370-F1472 AromaticContact CD2-CE1 3.91Å; F1370-F1472 HydrophobicContact CD2-CE1 3.91Å; F1370-F1472 AromaticContact CD2-CZ 3.74Å; F1370-F1472 HydrophobicContact CD2-CZ 3.74Å; F1370-F1472 HydrophobicContact CE1-CZ 4.11Å; F1370-F1472 HydrophobicContact CE2-CE1 4.43Å; F1370-F1472 HydrophobicContact CE2-CZ 4.08Å; F1370-F1472 HydrophobicContact CG-CE1 4.05Å; F1370-F1472 AromaticContact CG-CZ 3.6Å; F1370-F1472 HydrophobicContact CG-CZ 3.6Å; F1370-F1472 HydrophobicContact CZ-CZ 4.26Å; W1414-F1472 HydrophobicContact CB-CD1 4.33Å; W1414-F1472 HydrophobicContact CB-CE1 3.79Å; W1414-F1472 AromaticContact CD2-CD1 3.96Å; W1414-F1472 HydrophobicContact CD2-CD1 3.96Å; W1414-F1472 HydrophobicContact CD2-CE1 4.32Å; W1414-F1472 AromaticContact CE3-CD1 3.9Å; W1414-F1472 HydrophobicContact CE3-CD1 3.9Å; W1414-F1472 HydrophobicContact CE3-CE1 4.49Å; W1414-F1472 HydrophobicContact CG-CD1 4.19Å; W1414-F1472 HydrophobicContact CG-CE1 4.07Å; W1414-F1472 HydrophobicContact CZ3-CD1 4.45Å; V1442-F1472 HydrophobicContact CG1-CD1 4.2Å; V1442-F1472 HydrophobicContact CG2-CE1 4.38Å; L1468-F1472 HydrophobicContact CD2-CE2 3.97Å; L1468-F1472 WeakPolarHBondContact O-CD2 3.5Å; F1472-V1476 HydrophobicContact CB-CB 4.42Å; F1472-V1476 HydrophobicContact CB-CG2 4.33Å; F1472-I1479 HydrophobicContact CD2-CD1 4.12Å; F1472-I1479 HydrophobicContact CE1-CD1 4.37Å; F1472-I1479 HydrophobicContact CE2-CD1 3.46Å; F1472-I1479 VanDerWaalsContact CE2-CD1 3.46Å; F1472-I1479 HydrophobicContact CZ-CD1 3.61Å; F1472-L1547 HydrophobicContact CB-CD1 4.05Å; F1472-L1547 HydrophobicContact CD2-CD1 3.89Å; F1472-L1547 HydrophobicContact CD2-CD2 4.47Å; F1472-L1547 HydrophobicContact CG-CD1 4.13Å; F1472-R1551 PolarHBondContact O-NH2 3Å
1473P89.4Confident90.6Very high27 Ų2718.2 Ų18.218%0.1759%0.092CC..  trans-50.7154.7170.1-30.238.4000114.2W1414 D1475 V1476 R1551W1414-P1473 HydrophobicContact CH2-CG 4.28Å; W1414-P1473 HydrophobicContact CZ3-CG 4.25Å; P1473-D1475 VanDerWaalsContact C-N 3.3Å; P1473-D1475 WeakPolarHBondContact CB-OD1 3.27Å; P1473-D1475 PolarHBondContact O-N 3.46Å; P1473-V1476 HydrophobicContact CB-CG2 4.35Å; P1473-V1476 PolarHBondContact O-N 2.94Å; P1473-R1551 PolarHBondContact O-NH2 3.2Å
1474L85.4Confident90.2Very high5 Ų518 Ų183%0.0269%0.092CC..THydrogen-bonded Turntrans-77.9-10.2-169.6-58.3-176.5000114.7Q1229 D1242 I1244Q1229-L1474 HydrophobicContact CB-CD1 4.01Å; Q1229-L1474 HydrophobicContact CG-CD1 3.82Å; D1242-L1474 HydrophobicContact CB-CD1 4.32Å; D1242-L1474 HydrophobicContact CB-CG 4.35Å; D1242-L1474 WeakPolarHBondContact OD2-CB 3.31Å; D1242-L1474 WeakPolarHBondContact OD2-CG 3.22Å; D1242-L1474 PolarHBondContact OD2-N 3.22Å; I1244-L1474 HydrophobicContact CG2-CD1 4Å; I1244-L1474 HydrophobicContact CG2-CD2 3.96Å
1475D83.2Confident89.7Confident90 Ų9019.5 Ų19.548%0.48110%0.101SC..THydrogen-bonded Turntrans-80.9-20.7172.362.4-50.8000113.3P1473 K1477P1473-D1475 VanDerWaalsContact C-N 3.3Å; P1473-D1475 WeakPolarHBondContact CB-OD1 3.27Å; P1473-D1475 PolarHBondContact O-N 3.46Å; D1475-K1477 PolarHBondContact O-N 2.62Å
1476V89Confident89.5Confident10 Ų1021 Ų216%0.06111%0.107CC..  trans-68.4115.6176.1-1690000109.9W1414 F1472 P1473 I1479 L1547 R1551W1414-V1476 HydrophobicContact CH2-CG2 3.5Å; W1414-V1476 VanDerWaalsContact CH2-CG2 3.5Å; W1414-V1476 HydrophobicContact CZ2-CG1 4.31Å; W1414-V1476 HydrophobicContact CZ2-CG2 3.48Å; W1414-V1476 VanDerWaalsContact CZ2-CG2 3.48Å; F1472-V1476 HydrophobicContact CB-CB 4.42Å; F1472-V1476 HydrophobicContact CB-CG2 4.33Å; P1473-V1476 HydrophobicContact CB-CG2 4.35Å; P1473-V1476 PolarHBondContact O-N 2.94Å; V1476-I1479 HydrophobicContact CG1-CG2 3.69Å; V1476-L1547 HydrophobicContact CB-CD1 4.11Å; V1476-L1547 HydrophobicContact CG1-CD1 3.9Å; V1476-R1551 PolarHBondContact O-NH1 3.38Å
1477K87.9Confident89.4Confident110 Ų11022.2 Ų22.248%0.47812%0.115SC..  trans-82.5-50.1-173.1-63.9177.8-177.41730114.3D1475 L1547 K1548D1475-K1477 PolarHBondContact O-N 2.62Å; K1477-L1547 WeakPolarHBondContact O-CA 3.45Å; K1477-L1547 WeakPolarHBondContact O-CB 3.41Å; K1477-L1547 PolarHBondContact O-N 2.74Å; K1477-K1548 PolarHBondContact O-N 3.4Å; K1477-K1548 VanDerWaalsContact O-N 3.12Å
1478K92.4Very high89.3Confident12 Ų1222.8 Ų22.85%0.05212%0.118CC..EExtended strand (participates in β ladder)trans-148145.1-172.6-165.1-171.2-92.6-1770108.2Y1364 M1496 L1498 V1544 V1545 D1546Y1364-K1478 HydrophobicContact CE1-CB 3.88Å; Y1364-K1478 HydrophobicContact CE1-CD 4.41Å; Y1364-K1478 WeakPolarHBondContact OH-CE 3.42Å; Y1364-K1478 PolarHBondContact OH-NZ 2.81Å; K1478-M1496 HydrophobicContact CB-CE 3.86Å; K1478-M1496 HydrophobicContact CD-CE 3.68Å; K1478-M1496 VanDerWaalsContact CD-O 3.22Å; K1478-M1496 WeakPolarHBondContact CD-O 3.45Å; K1478-M1496 HydrophobicContact CG-CE 3.55Å; K1478-M1496 PolarHBondContact NZ-O 3.42Å; K1478-L1498 PolarHBondContact NZ-O 3.29Å; K1478-V1544 HydrophobicContact CD-CG1 3.91Å; K1478-V1544 HydrophobicContact CG-CG1 3.99Å; K1478-V1545 CarbonylContact C-O 3.59Å; K1478-V1545 VanDerWaalsContact CA-O 3.27Å; K1478-V1545 WeakPolarHBondContact CA-O 3.39Å; K1478-V1545 VanDerWaalsContact CG-O 3.26Å; K1478-V1545 WeakPolarHBondContact CG-O 3.1Å; K1478-D1546 VanDerWaalsContact CE-OD2 3.28Å; K1478-D1546 WeakPolarHBondContact CE-OD2 3.45Å; K1478-D1546 HydrophobicContact CG-CB 4.32Å
1479I94.1Very high89.3Confident0 Ų028.7 Ų28.70%014%0.141CC..EExtended strand (participates in β ladder)trans-135.3161.4179.263169.3000111.5N1368 F1370 L1468 F1472 V1476 V1544 V1545 L1547N1368-I1479 HydrophobicContact CB-CG2 4.15Å; F1370-I1479 HydrophobicContact CB-CD1 4.35Å; L1468-I1479 HydrophobicContact CD2-CD1 4.33Å; F1472-I1479 HydrophobicContact CD2-CD1 4.12Å; F1472-I1479 HydrophobicContact CE1-CD1 4.37Å; F1472-I1479 HydrophobicContact CE2-CD1 3.46Å; F1472-I1479 VanDerWaalsContact CE2-CD1 3.46Å; F1472-I1479 HydrophobicContact CZ-CD1 3.61Å; V1476-I1479 HydrophobicContact CG1-CG2 3.69Å; I1479-V1544 WeakPolarHBondContact O-CA 3.35Å; I1479-V1545 HydrophobicContact CD1-CB 4.47Å; I1479-V1545 HydrophobicContact CG1-CB 3.88Å; I1479-V1545 HydrophobicContact CG1-CG2 4.27Å; I1479-V1545 PolarHBondContact N-O 2.68Å; I1479-V1545 PolarHBondContact O-N 2.83Å; I1479-L1547 HydrophobicContact CD1-CD1 4.47Å; I1479-L1547 HydrophobicContact CD1-CD2 4.23Å; I1479-L1547 HydrophobicContact CG1-CD1 4.44Å; I1479-L1547 HydrophobicContact CG1-CD2 4.31Å; I1479-L1547 HydrophobicContact CG1-CG 4.28Å; I1479-L1547 HydrophobicContact CG2-CD1 3.85Å; I1479-L1547 HydrophobicContact CG2-CG 4.41Å
1480I94.9Very high89.2Confident0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-118.5127.6169.3-50.8177.8000108.1L1367 N1368 V1369 F1370 V1482 L1492 L1495 M1496 L1542 Y1543 V1544L1367-I1480 HydrophobicContact CD1-CD1 3.92Å; N1368-I1480 PolarHBondContact O-N 2.79Å; V1369-I1480 CarbonylContact C-O 3.59Å; V1369-I1480 WeakPolarHBondContact CA-O 3.49Å; F1370-I1480 PolarHBondContact N-O 2.89Å; I1480-V1482 HydrophobicContact CG2-CG2 4.09Å; I1480-L1492 HydrophobicContact CD1-CB 3.93Å; I1480-L1492 VanDerWaalsContact CD1-O 3.27Å; I1480-L1492 WeakPolarHBondContact CD1-O 3.09Å; I1480-L1495 HydrophobicContact CD1-CB 4.12Å; I1480-L1495 HydrophobicContact CD1-CD2 4.37Å; I1480-L1495 HydrophobicContact CG2-CD2 4.05Å; I1480-M1496 HydrophobicContact CD1-CB 4.22Å; I1480-M1496 HydrophobicContact CD1-CE 4.17Å; I1480-M1496 HydrophobicContact CG1-CE 3.58Å; I1480-M1496 HydrophobicContact CG1-SD 4.42Å; I1480-L1542 HydrophobicContact CG2-CD1 3.92Å; I1480-Y1543 CarbonylContact C-O 3.52Å; I1480-Y1543 WeakPolarHBondContact CA-O 3.29Å; I1480-V1544 HydrophobicContact CG1-CG2 4.33Å
1481F94Very high89.2Confident0 Ų033.7 Ų33.70%017%0.17CC..EExtended strand (participates in β ladder)trans-88.1134.9167176.9-96.9000110.7F1370 L1372 K1464 D1483 S1540 L1542 Y1543F1370-F1481 HydrophobicContact CD1-CB 4.46Å; F1370-F1481 AromaticContact CD1-CD2 3.55Å; F1370-F1481 HydrophobicContact CD1-CD2 3.55Å; F1370-F1481 HydrophobicContact CD1-CE2 4.34Å; F1370-F1481 HydrophobicContact CD1-CG 4.46Å; F1370-F1481 AromaticContact CE1-CD2 3.97Å; F1370-F1481 HydrophobicContact CE1-CD2 3.97Å; F1370-F1481 HydrophobicContact CE1-CE2 4.41Å; F1370-F1481 HydrophobicContact CG-CD2 4.18Å; F1370-F1481 WeakPolarHBondContact O-CA 3.33Å; F1370-F1481 WeakPolarHBondContact O-CD2 3.04Å; L1372-F1481 HydrophobicContact CB-CE2 4.18Å; L1372-F1481 HydrophobicContact CD1-CE2 4.1Å; L1372-F1481 HydrophobicContact CG-CE2 4.46Å; K1464-F1481 HydrophobicContact CD-CE1 4.28Å; K1464-F1481 HydrophobicContact CD-CZ 3.93Å; K1464-F1481 HydrophobicContact CG-CE2 4.38Å; K1464-F1481 HydrophobicContact CG-CZ 4.23Å; F1481-D1483 HydrophobicContact CE1-CB 4.04Å; F1481-D1483 WeakPolarHBondContact CE1-OD2 3.49Å; F1481-D1483 HydrophobicContact CZ-CB 4.29Å; F1481-D1483 WeakPolarHBondContact CZ-OD1 3.27Å; F1481-S1540 WeakPolarHBondContact CE1-O 3.33Å; F1481-L1542 WeakPolarHBondContact O-CA 3.05Å; F1481-L1542 WeakPolarHBondContact O-CD1 3.49Å; F1481-Y1543 HydrophobicContact CB-CD1 3.99Å; F1481-Y1543 HydrophobicContact CB-CD2 3.99Å; F1481-Y1543 HydrophobicContact CB-CE1 3.55Å; F1481-Y1543 HydrophobicContact CB-CE2 3.53Å; F1481-Y1543 HydrophobicContact CB-CG 4.18Å; F1481-Y1543 WeakPolarHBondContact CB-OH 3.31Å; F1481-Y1543 AromaticContact CD1-CD1 3.78Å; F1481-Y1543 HydrophobicContact CD1-CD1 3.78Å; F1481-Y1543 AromaticContact CD1-CE1 3.12Å; F1481-Y1543 HydrophobicContact CD1-CE1 3.12Å; F1481-Y1543 AromaticContact CD1-CZ 3.62Å; F1481-Y1543 AromaticContact CE1-CE1 3.97Å; F1481-Y1543 HydrophobicContact CE1-CE1 3.97Å; F1481-Y1543 HydrophobicContact CG-CD1 4.24Å; F1481-Y1543 AromaticContact CG-CE1 3.47Å; F1481-Y1543 HydrophobicContact CG-CE1 3.47Å; F1481-Y1543 VanDerWaalsContact CG-CE1 3.47Å; F1481-Y1543 HydrophobicContact CG-CE2 4.22Å; F1481-Y1543 AromaticContact CG-CZ 3.41Å; F1481-Y1543 VanDerWaalsContact CG-CZ 3.41Å; F1481-Y1543 VanDerWaalsContact CG-OH 3.22Å; F1481-Y1543 WeakPolarHBondContact CG-OH 3.39Å; F1481-Y1543 PolarHBondContact N-O 3.46Å; F1481-Y1543 PolarHBondContact O-N 2.88Å
1482V92.1Very high89.2Confident2 Ų234 Ų341%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-132122.5173.7-1760000108.3V1369 F1370 S1371 M1399 I1480 Q1486 V1488 L1492 L1542V1369-V1482 HydrophobicContact CG1-CB 4.18Å; V1369-V1482 HydrophobicContact CG1-CG2 3.84Å; F1370-V1482 PolarHBondContact O-N 2.94Å; S1371-V1482 VanDerWaalsContact CB-O 3.23Å; S1371-V1482 WeakPolarHBondContact CB-O 3Å; S1371-V1482 PolarHBondContact OG-O 2.92Å; M1399-V1482 HydrophobicContact CG-CG1 3.79Å; M1399-V1482 HydrophobicContact SD-CB 4.24Å; M1399-V1482 HydrophobicContact SD-CG1 3.9Å; I1480-V1482 HydrophobicContact CG2-CG2 4.09Å; V1482-Q1486 HydrophobicContact CG1-CB 3.88Å; V1482-Q1486 HydrophobicContact CG1-CG 4.39Å; V1482-V1488 HydrophobicContact CG1-CG2 4.32Å; V1482-L1492 HydrophobicContact CG2-CD1 4.14Å; V1482-L1542 HydrophobicContact CG2-CD1 4.02Å
1483D85.9Confident89Confident20 Ų2034.3 Ų34.311%0.10717%0.174CC..  trans-67150175.7-110-45.5000112.7K1464 F1481 D1485 Q1486 A1541K1464-D1483 IonicContact NZ-OD1 2.7Å; K1464-D1483 PolarHBondContact NZ-OD1 3.11Å; K1464-D1483 IonicContact NZ-OD2 2.58Å; K1464-D1483 PolarHBondContact NZ-OD2 2.64Å; F1481-D1483 HydrophobicContact CE1-CB 4.04Å; F1481-D1483 WeakPolarHBondContact CE1-OD2 3.49Å; F1481-D1483 HydrophobicContact CZ-CB 4.29Å; F1481-D1483 WeakPolarHBondContact CZ-OD1 3.27Å; D1483-D1485 PolarHBondContact O-N 2.77Å; D1483-D1485 VanDerWaalsContact O-N 3.14Å; D1483-Q1486 HydrophobicContact CB-CG 4.04Å; D1483-Q1486 WeakPolarHBondContact O-CB 3.49Å; D1483-Q1486 WeakPolarHBondContact O-CG 3.27Å; D1483-Q1486 PolarHBondContact O-N 3.12Å; D1483-Q1486 VanDerWaalsContact O-N 3.13Å; D1483-A1541 HydrophobicContact CB-CB 4.23Å; D1483-A1541 PolarHBondContact N-O 3.42Å; D1483-A1541 WeakPolarHBondContact OD2-CA 3.42Å
1484A82.3Confident89Confident6 Ų638 Ų385%0.0519%0.192CC..THydrogen-bonded Turntrans-68-14.5-169.100000114.8A1373 C1395 S1396A1373-A1484 HydrophobicContact CB-CB 4.13Å; C1395-A1484 CarbonylContact C-O 3.56Å; C1395-A1484 WeakPolarHBondContact CB-O 3.37Å; S1396-A1484 PolarHBondContact N-O 3.4Å
1485D77.9Confident89.3Confident52 Ų5240.4 Ų40.428%0.27820%0.204SC..THydrogen-bonded Turntrans-96.23.4176.969-9.4000114.1D1483 K1588D1483-D1485 PolarHBondContact O-N 2.77Å; D1483-D1485 VanDerWaalsContact O-N 3.14Å; D1485-K1588 IonicContact OD2-NZ 3.9Å; D1485-K1588 PolarHBondContact OD2-NZ 2.87Å
1486Q85Confident89.5Confident73 Ų7336.1 Ų36.134%0.34118%0.181SC..  trans-87.7144.5-179.6-56-58.4-62.500112.2M1399 V1482 D1483M1399-Q1486 VanDerWaalsContact CB-O 3.25Å; M1399-Q1486 WeakPolarHBondContact CB-O 3.39Å; M1399-Q1486 VanDerWaalsContact CG-O 3.25Å; M1399-Q1486 WeakPolarHBondContact CG-O 3.34Å; V1482-Q1486 HydrophobicContact CG1-CB 3.88Å; V1482-Q1486 HydrophobicContact CG1-CG 4.39Å; D1483-Q1486 HydrophobicContact CB-CG 4.04Å; D1483-Q1486 WeakPolarHBondContact O-CB 3.49Å; D1483-Q1486 WeakPolarHBondContact O-CG 3.27Å; D1483-Q1486 PolarHBondContact O-N 3.12Å; D1483-Q1486 VanDerWaalsContact O-N 3.13Å
1487V88.6Confident89.5Confident31 Ų3140.7 Ų40.719%0.18820%0.201CC..  trans-115.4129.1172.6-179.60000109.3I1398 I1596 Y1602I1398-V1487 HydrophobicContact CG2-CG2 4.28Å; V1487-I1596 HydrophobicContact CB-CD1 3.96Å; V1487-I1596 HydrophobicContact CB-CG2 4.44Å; V1487-I1596 HydrophobicContact CG1-CG2 4.19Å; V1487-I1596 HydrophobicContact CG2-CD1 3.65Å; V1487-I1596 HydrophobicContact CG2-CG2 4.4Å; V1487-Y1602 HydrophobicContact CG1-CD2 4.49Å; V1487-Y1602 HydrophobicContact CG1-CE2 4.07Å
1488V91.3Very high89.6Confident13 Ų1339.5 Ų39.58%0.07920%0.199CC..  trans-103.8118.7-172.3175.80000110.2S1402 V1403 H1406 V1482 T1490 L1492S1402-V1488 CarbonylContact C-O 3.54Å; S1402-V1488 WeakPolarHBondContact CB-O 3.44Å; S1402-V1488 PolarHBondContact OG-N 2.91Å; V1403-V1488 HydrophobicContact CG2-CB 3.79Å; V1403-V1488 HydrophobicContact CG2-CG1 4.09Å; V1403-V1488 HydrophobicContact CG2-CG2 3.68Å; H1406-V1488 PolarHBondContact CE1-O 3.46Å; H1406-V1488 PolarHBondContact ND1-O 2.73Å; V1482-V1488 HydrophobicContact CG1-CG2 4.32Å; V1488-T1490 VanDerWaalsContact CG1-O 3.25Å; V1488-T1490 WeakPolarHBondContact CG1-O 3.31Å; V1488-L1492 HydrophobicContact CG1-CD1 4.15Å; V1488-L1492 HydrophobicContact CG1-CD2 4.12Å; V1488-L1492 HydrophobicContact CG1-CG 3.82Å; V1488-L1492 HydrophobicContact CG2-CD1 4.33Å
1489R91.6Very high89.4Confident124 Ų12444.9 Ų44.947%0.46823%0.228SC..  trans-106.96.8178.3-70.2172.8162.8164.1-10.2113.8H1406 E1598H1406-R1489 PolarHBondContact CD2-O 3.09Å; R1489-E1598 IonicContact CZ-OE1 3.2Å; R1489-E1598 IonicContact NE-OE1 3.38Å; R1489-E1598 PolarHBondContact NE-OE1 2.93Å; R1489-E1598 IonicContact NE-OE2 2.88Å; R1489-E1598 IonicContact NH2-OE1 2.72Å; R1489-E1598 PolarHBondContact NH2-OE1 3.2Å
1490T90.9Very high89.2Confident94 Ų9446 Ų4658%0.57723%0.234SC*.SBendtrans-133.8158.3-172.151.90000111.6V1488 L1492V1488-T1490 VanDerWaalsContact CG1-O 3.25Å; V1488-T1490 WeakPolarHBondContact CG1-O 3.31Å; T1490-L1492 PolarHBondContact O-N 3.22Å; T1490-L1492 VanDerWaalsContact O-N 3.1Å
1491N91.6Very high88.9Confident30 Ų3055 Ų5516%0.1628%0.276CS..  trans-75.597.4177.2-178.540.6000109.8M1493 D1494N1491-M1493 WeakPolarHBondContact ND2-CB 3.37Å; N1491-M1493 PolarHBondContact O-N 3.32Å; N1491-M1493 WeakPolarHBondContact OD1-CB 3.4Å; N1491-D1494 PolarHBondContact ND2-OD1 2.87Å; N1491-D1494 WeakPolarHBondContact O-CB 3.44Å; N1491-D1494 PolarHBondContact O-N 2.95Å
1492L92.2Very high88.4Confident10 Ų1057.2 Ų57.25%0.05230%0.299CS..Hα-helixtrans-57.3-14.4179.6-68.1177.4000114.1L1367 V1369 V1403 I1480 V1482 V1488 T1490 D1494 L1495 M1496L1367-L1492 HydrophobicContact CD1-CB 3.91Å; L1367-L1492 HydrophobicContact CD2-CB 3.92Å; V1369-L1492 HydrophobicContact CG2-CD1 4.05Å; V1403-L1492 HydrophobicContact CG1-CD1 4.3Å; V1403-L1492 HydrophobicContact CG2-CD1 3.86Å; I1480-L1492 HydrophobicContact CD1-CB 3.93Å; I1480-L1492 VanDerWaalsContact CD1-O 3.27Å; I1480-L1492 WeakPolarHBondContact CD1-O 3.09Å; V1482-L1492 HydrophobicContact CG2-CD1 4.14Å; V1488-L1492 HydrophobicContact CG1-CD1 4.15Å; V1488-L1492 HydrophobicContact CG1-CD2 4.12Å; V1488-L1492 HydrophobicContact CG1-CG 3.82Å; V1488-L1492 HydrophobicContact CG2-CD1 4.33Å; T1490-L1492 PolarHBondContact O-N 3.22Å; T1490-L1492 VanDerWaalsContact O-N 3.1Å; L1492-D1494 PolarHBondContact O-N 2.99Å; L1492-L1495 WeakPolarHBondContact O-CB 3.48Å; L1492-L1495 PolarHBondContact O-N 3.34Å; L1492-L1495 VanDerWaalsContact O-N 3.1Å; L1492-M1496 PolarHBondContact O-N 2.99Å
1493M90.3Very high88.2Confident12 Ų1259.1 Ų59.16%0.05932%0.315CS..Hα-helixtrans-55.1-33.9169.9-156.266.4-141.900112.9Y1364 L1367 S1409 N1491 L1495 M1496 K1497Y1364-M1493 HydrophobicContact CG-CE 4.44Å; Y1364-M1493 WeakPolarHBondContact O-CE 3.38Å; L1367-M1493 HydrophobicContact CB-SD 4.05Å; L1367-M1493 HydrophobicContact CD1-SD 4.35Å; S1409-M1493 PolarHBondContact OG-SD 3.18Å; N1491-M1493 WeakPolarHBondContact ND2-CB 3.37Å; N1491-M1493 PolarHBondContact O-N 3.32Å; N1491-M1493 WeakPolarHBondContact OD1-CB 3.4Å; M1493-L1495 VanDerWaalsContact C-N 3.29Å; M1493-L1495 PolarHBondContact O-N 3.02Å; M1493-M1496 HydrophobicContact CE-CB 4.18Å; M1493-M1496 HydrophobicContact CE-CG 4.03Å; M1493-M1496 WeakPolarHBondContact O-CB 3.34Å; M1493-M1496 PolarHBondContact O-N 2.8Å; M1493-M1496 VanDerWaalsContact O-N 3.15Å; M1493-K1497 HydrophobicContact CE-CG 4.49Å; M1493-K1497 WeakPolarHBondContact O-CG 3.45Å; M1493-K1497 PolarHBondContact O-N 2.87Å
1494D89.6Confident88.5Confident105 Ų10559.1 Ų59.156%0.56132%0.316SS*.Hα-helixtrans-67.7-36.4-179.8-49.2-16.7000109.7N1491 L1492 L1498N1491-D1494 PolarHBondContact ND2-OD1 2.87Å; N1491-D1494 WeakPolarHBondContact O-CB 3.44Å; N1491-D1494 PolarHBondContact O-N 2.95Å; L1492-D1494 PolarHBondContact O-N 2.99Å; D1494-L1498 PolarHBondContact O-N 3.18Å; D1494-L1498 VanDerWaalsContact O-N 3.15Å
1495L90Very high89Confident54 Ų5462.8 Ų62.828%0.28333%0.329SS..Hα-helixtrans-75.3-26.2173.5-153.380000112.6I1480 L1492 M1493 L1498 L1542 V1544I1480-L1495 HydrophobicContact CD1-CB 4.12Å; I1480-L1495 HydrophobicContact CD1-CD2 4.37Å; I1480-L1495 HydrophobicContact CG2-CD2 4.05Å; L1492-L1495 WeakPolarHBondContact O-CB 3.48Å; L1492-L1495 PolarHBondContact O-N 3.34Å; L1492-L1495 VanDerWaalsContact O-N 3.1Å; M1493-L1495 VanDerWaalsContact C-N 3.29Å; M1493-L1495 PolarHBondContact O-N 3.02Å; L1495-L1498 HydrophobicContact CD1-CD2 4.2Å; L1495-L1498 VanDerWaalsContact O-CB 3.32Å; L1495-L1498 WeakPolarHBondContact O-CB 3.23Å; L1495-L1542 HydrophobicContact CD2-CD1 4.15Å; L1495-L1542 HydrophobicContact CD2-CG 4.48Å; L1495-V1544 HydrophobicContact CD2-CG2 3.61Å; L1495-V1544 HydrophobicContact CG-CG2 3.61Å
1496M87.4Confident89.7Confident0 Ų061.5 Ų61.50%033%0.329CS..Hα-helixtrans-70.9-38.9172-169.993.4-67.200111.6Y1364 L1367 K1478 I1480 L1492 M1493 L1498 V1544Y1364-M1496 HydrophobicContact CD1-CG 4.14Å; Y1364-M1496 HydrophobicContact CG-CG 4.26Å; L1367-M1496 HydrophobicContact CD1-CB 4.23Å; L1367-M1496 HydrophobicContact CD1-SD 4.38Å; K1478-M1496 HydrophobicContact CB-CE 3.86Å; K1478-M1496 HydrophobicContact CD-CE 3.68Å; K1478-M1496 VanDerWaalsContact CD-O 3.22Å; K1478-M1496 WeakPolarHBondContact CD-O 3.45Å; K1478-M1496 HydrophobicContact CG-CE 3.55Å; K1478-M1496 PolarHBondContact NZ-O 3.42Å; I1480-M1496 HydrophobicContact CD1-CB 4.22Å; I1480-M1496 HydrophobicContact CD1-CE 4.17Å; I1480-M1496 HydrophobicContact CG1-CE 3.58Å; I1480-M1496 HydrophobicContact CG1-SD 4.42Å; L1492-M1496 PolarHBondContact O-N 2.99Å; M1493-M1496 HydrophobicContact CE-CB 4.18Å; M1493-M1496 HydrophobicContact CE-CG 4.03Å; M1493-M1496 WeakPolarHBondContact O-CB 3.34Å; M1493-M1496 PolarHBondContact O-N 2.8Å; M1493-M1496 VanDerWaalsContact O-N 3.15Å; M1496-L1498 VanDerWaalsContact C-N 3.32Å; M1496-V1544 HydrophobicContact CE-CG1 4.37Å
1497K89.4Confident89.9Confident107 Ų10761 Ų6147%0.46532%0.324SS..Hα-helixtrans-78.2-12.3176.4-69.5-167.3175.6-1570114D1363 M1493 D1499D1363-K1497 WeakPolarHBondContact OD1-CE 3.34Å; D1363-K1497 IonicContact OD1-NZ 3.46Å; D1363-K1497 PolarHBondContact OD1-NZ 3.23Å; D1363-K1497 IonicContact OD2-NZ 3.63Å; D1363-K1497 PolarHBondContact OD2-NZ 3.32Å; M1493-K1497 HydrophobicContact CE-CG 4.49Å; M1493-K1497 WeakPolarHBondContact O-CG 3.45Å; M1493-K1497 PolarHBondContact O-N 2.87Å; K1497-D1499 PolarHBondContact O-N 3.47Å
1498L89.3Confident89.9Confident84 Ų8462 Ų6244%0.4433%0.33SS..  trans-53.6128.3174.9-172.866.4000111.2K1478 D1494 L1495 M1496 L1500K1478-L1498 PolarHBondContact NZ-O 3.29Å; D1494-L1498 PolarHBondContact O-N 3.18Å; D1494-L1498 VanDerWaalsContact O-N 3.15Å; L1495-L1498 HydrophobicContact CD1-CD2 4.2Å; L1495-L1498 VanDerWaalsContact O-CB 3.32Å; L1495-L1498 WeakPolarHBondContact O-CB 3.23Å; M1496-L1498 VanDerWaalsContact C-N 3.32Å; L1498-L1500 HydrophobicContact CD2-CD2 4.38Å
1499D89.8Confident89.8Confident126 Ų12664.1 Ų64.167%0.67434%0.344SS*.  trans-74.3142.5167.5-166.2-2.6000109.6K1497 E1501K1497-D1499 PolarHBondContact O-N 3.47Å; D1499-E1501 PolarHBondContact OD1-N 3.3Å
1500L89.5Confident89.4Confident23 Ų2361.1 Ų61.112%0.1234%0.335CS..  trans-108.611.6179.1-59.4-179.5000111.8L1498 G1502 A1503 V1544 D1546L1498-L1500 HydrophobicContact CD2-CD2 4.38Å; L1500-G1502 PolarHBondContact O-N 3.17Å; L1500-G1502 VanDerWaalsContact O-N 3.17Å; L1500-A1503 HydrophobicContact CB-CB 4.33Å; L1500-A1503 WeakPolarHBondContact CB-O 3.39Å; L1500-A1503 WeakPolarHBondContact O-CB 3.39Å; L1500-A1503 PolarHBondContact O-N 2.93Å; L1500-V1544 HydrophobicContact CD1-CG1 4.37Å; L1500-D1546 HydrophobicContact CD1-CB 4.27Å
1501E88.5Confident89Confident189 Ų18960.6 Ų60.688%0.88333%0.334SS*.THydrogen-bonded Turntrans55.536.9177.6-60.1176.4-175.200111.8D1499 A1503D1499-E1501 PolarHBondContact OD1-N 3.3Å; E1501-A1503 VanDerWaalsContact C-N 3.3Å; E1501-A1503 PolarHBondContact O-N 3.32Å
1502G82.8Confident88.6Confident47 Ų4763.5 Ų63.549%0.48535%0.349SS..THydrogen-bonded Turntrans79.4-1.8-17600000115.9L1500 K1549L1500-G1502 PolarHBondContact O-N 3.17Å; L1500-G1502 VanDerWaalsContact O-N 3.17Å; G1502-K1549 WeakPolarHBondContact O-CE 3.39Å
1503A89.3Confident88.2Confident42 Ų4267.9 Ų67.935%0.34738%0.381SS..  trans-70.4149.717400000112.3L1500 E1501L1500-A1503 HydrophobicContact CB-CB 4.33Å; L1500-A1503 WeakPolarHBondContact CB-O 3.39Å; L1500-A1503 WeakPolarHBondContact O-CB 3.39Å; L1500-A1503 PolarHBondContact O-N 2.93Å; E1501-A1503 VanDerWaalsContact C-N 3.3Å; E1501-A1503 PolarHBondContact O-N 3.32Å
1504P91.2Very high87.7Confident20 Ų2074.9 Ų74.913%0.1341%0.407CS..SBendtrans-76.8-19.2-178.733.5-39.4000113.8D1546 F1550 I1553 A1555P1504-D1546 PolarHBondContact O-N 3.15Å; P1504-F1550 HydrophobicContact CB-CB 4.07Å; P1504-F1550 HydrophobicContact CB-CD2 4.1Å; P1504-F1550 HydrophobicContact CB-CG 4.5Å; P1504-I1553 HydrophobicContact CB-CD1 3.9Å; P1504-I1553 HydrophobicContact CG-CD1 3.85Å; P1504-A1555 HydrophobicContact CB-CB 4.49Å
1505Y92.8Very high87.3Confident82 Ų8278.6 Ų78.632%0.32242%0.418SS..EExtended strand (participates in β ladder)trans-158.3157.5-179.348.3-111.8000111.4Y1507 V1544 F1550Y1505-Y1507 AromaticContact CD2-CD2 3.73Å; Y1505-Y1507 HydrophobicContact CD2-CD2 3.73Å; Y1505-Y1507 AromaticContact CD2-CE2 3.51Å; Y1505-Y1507 HydrophobicContact CD2-CE2 3.51Å; Y1505-Y1507 HydrophobicContact CE2-CD2 4.24Å; Y1505-Y1507 AromaticContact CE2-CE2 3.95Å; Y1505-Y1507 HydrophobicContact CE2-CE2 3.95Å; Y1505-Y1507 AromaticContact CG-CE2 4Å; Y1505-Y1507 HydrophobicContact CG-CE2 4Å; Y1505-V1544 CarbonylContact C-O 3.55Å; Y1505-V1544 WeakPolarHBondContact CA-O 3.45Å; Y1505-V1544 VanDerWaalsContact CB-O 3.22Å; Y1505-V1544 WeakPolarHBondContact CB-O 3.17Å; Y1505-F1550 AromaticContact CD1-CD2 3.92Å; Y1505-F1550 HydrophobicContact CD1-CD2 3.92Å; Y1505-F1550 AromaticContact CD1-CE2 3.92Å; Y1505-F1550 HydrophobicContact CD1-CE2 3.92Å; Y1505-F1550 HydrophobicContact CE1-CD2 4.43Å; Y1505-F1550 HydrophobicContact CE1-CE2 4.15Å
1506G92.2Very high86.8Confident26 Ų2681.7 Ų81.727%0.26843%0.431SS..EExtended strand (participates in β ladder)trans-133.5131.9175.600000111.7Y1543 V1544G1506-Y1543 CarbonylContact O-C 3.56Å; G1506-Y1543 VanDerWaalsContact O-CA 3.24Å; G1506-Y1543 WeakPolarHBondContact O-CA 3.43Å; G1506-Y1543 VanDerWaalsContact O-CB 3.23Å; G1506-Y1543 WeakPolarHBondContact O-CB 3.18Å; G1506-V1544 PolarHBondContact N-O 2.93Å; G1506-V1544 PolarHBondContact O-N 3.5Å
1507Y90.6Very high86.4Confident61 Ų6183.3 Ų83.324%0.23944%0.439CS..EExtended strand (participates in β ladder)trans-118.2155.7-175.8-79.9-95.4000112Y1505 I1539 Y1543Y1505-Y1507 AromaticContact CD2-CD2 3.73Å; Y1505-Y1507 HydrophobicContact CD2-CD2 3.73Å; Y1505-Y1507 AromaticContact CD2-CE2 3.51Å; Y1505-Y1507 HydrophobicContact CD2-CE2 3.51Å; Y1505-Y1507 HydrophobicContact CE2-CD2 4.24Å; Y1505-Y1507 AromaticContact CE2-CE2 3.95Å; Y1505-Y1507 HydrophobicContact CE2-CE2 3.95Å; Y1505-Y1507 AromaticContact CG-CE2 4Å; Y1505-Y1507 HydrophobicContact CG-CE2 4Å; Y1507-I1539 WeakPolarHBondContact CD1-O 3.33Å; Y1507-Y1543 AromaticContact CD1-CD1 3.86Å; Y1507-Y1543 HydrophobicContact CD1-CD1 3.86Å; Y1507-Y1543 AromaticContact CD1-CG 3.86Å; Y1507-Y1543 HydrophobicContact CD1-CG 3.86Å; Y1507-Y1543 AromaticContact CE1-CD1 3.23Å; Y1507-Y1543 HydrophobicContact CE1-CD1 3.23Å; Y1507-Y1543 HydrophobicContact CE1-CD2 4.07Å; Y1507-Y1543 AromaticContact CE1-CE1 3.9Å; Y1507-Y1543 HydrophobicContact CE1-CE1 3.9Å; Y1507-Y1543 AromaticContact CE1-CG 3.35Å; Y1507-Y1543 HydrophobicContact CE1-CG 3.35Å; Y1507-Y1543 HydrophobicContact CE2-CD2 4.4Å; Y1507-Y1543 HydrophobicContact CE2-CG 4.26Å; Y1507-Y1543 HydrophobicContact CG-CG 4.48Å; Y1507-Y1543 AromaticContact CZ-CD1 3.82Å; Y1507-Y1543 AromaticContact CZ-CD2 3.81Å; Y1507-Y1543 AromaticContact CZ-CG 3.57Å
1508T88.4Confident86Confident53 Ų5382.5 Ų82.533%0.32544%0.437SS..EExtended strand (participates in β ladder)trans-79.9134.2170.953.90000111.6H1538 I1539 L1542T1508-H1538 CarbonylContact O-C 3.57Å; T1508-H1538 VanDerWaalsContact O-CA 3.31Å; T1508-H1538 WeakPolarHBondContact O-CA 3.39Å; T1508-I1539 PolarHBondContact O-N 2.92Å; T1508-L1542 HydrophobicContact CG2-CD2 4.26Å; T1508-L1542 HydrophobicContact CG2-CG 4.49Å
1509P88Confident85.5Confident57 Ų5782.5 Ų82.537%0.3746%0.457SS..EExtended strand (participates in β ladder)trans-78.9157.2174.232.6-35000111.8K1536 Y1537P1509-K1536 HydrophobicContact CB-CB 3.97Å; P1509-K1536 HydrophobicContact CB-CD 3.75Å; P1509-K1536 HydrophobicContact CB-CG 4.46Å; P1509-K1536 HydrophobicContact CG-CD 4.23Å; P1509-Y1537 WeakPolarHBondContact CA-O 3.34Å
1510F83.5Confident85Confident62 Ų6281.8 Ų81.827%0.27245%0.446SS..PPolyproline II helixtrans-67.7144.4176-133.3-71000112.3W1523 Y1537 I1539F1510-W1523 HydrophobicContact CB-CH2 4.12Å; F1510-W1523 HydrophobicContact CB-CZ2 3.69Å; F1510-W1523 AromaticContact CD1-CH2 3.35Å; F1510-W1523 HydrophobicContact CD1-CH2 3.35Å; F1510-W1523 AromaticContact CD1-CZ2 3.66Å; F1510-W1523 HydrophobicContact CD1-CZ2 3.66Å; F1510-W1523 HydrophobicContact CD1-CZ3 4.29Å; F1510-W1523 AromaticContact CD2-CH2 3.9Å; F1510-W1523 HydrophobicContact CD2-CH2 3.9Å; F1510-W1523 HydrophobicContact CD2-CZ2 4.31Å; F1510-W1523 HydrophobicContact CD2-CZ3 4.11Å; F1510-W1523 AromaticContact CE1-CH2 3.65Å; F1510-W1523 HydrophobicContact CE1-CH2 3.65Å; F1510-W1523 HydrophobicContact CE1-CZ2 4.4Å; F1510-W1523 HydrophobicContact CE1-CZ3 4.36Å; F1510-W1523 HydrophobicContact CE2-CH2 4.15Å; F1510-W1523 HydrophobicContact CE2-CZ3 4.18Å; F1510-W1523 AromaticContact CG-CH2 3.51Å; F1510-W1523 HydrophobicContact CG-CH2 3.51Å; F1510-W1523 AromaticContact CG-CZ2 3.62Å; F1510-W1523 HydrophobicContact CG-CZ2 3.62Å; F1510-W1523 HydrophobicContact CG-CZ3 4.18Å; F1510-W1523 HydrophobicContact CZ-CH2 4.04Å; F1510-W1523 HydrophobicContact CZ-CZ3 4.31Å; F1510-Y1537 AromaticContact CD2-CD1 3.95Å; F1510-Y1537 HydrophobicContact CD2-CD1 3.95Å; F1510-Y1537 HydrophobicContact CD2-CE1 4.26Å; F1510-Y1537 PolarHBondContact N-O 3.34Å; F1510-I1539 HydrophobicContact CB-CG1 4.37Å; F1510-I1539 HydrophobicContact CD1-CD1 4.31Å; F1510-I1539 HydrophobicContact CD2-CD1 3.82Å; F1510-I1539 HydrophobicContact CD2-CG1 3.48Å; F1510-I1539 VanDerWaalsContact CD2-CG1 3.48Å; F1510-I1539 HydrophobicContact CE1-CD1 4.47Å; F1510-I1539 HydrophobicContact CE2-CD1 4Å; F1510-I1539 HydrophobicContact CE2-CG1 3.87Å; F1510-I1539 HydrophobicContact CG-CD1 3.97Å; F1510-I1539 HydrophobicContact CG-CG1 3.99Å; F1510-I1539 HydrophobicContact CZ-CD1 4.32Å
1511C83.3Confident84.7Confident83 Ų8381.2 Ų81.256%0.56144%0.442SS*.PPolyproline II helixtrans-75.6123.8-177.2-710000113.9R1521C1511-R1521 PolarHBondContact O-NE 3.01Å; C1511-R1521 PolarHBondContact O-NH2 3.44Å
1512D82.7Confident84.5Confident90 Ų9074.8 Ų74.848%0.48141%0.411SS..  trans-94.2-2173.9-80.7-42.2000114.8R1514 R1521 K1524D1512-R1514 PolarHBondContact O-N 3.49Å; D1512-R1521 WeakPolarHBondContact OD1-CD 3.47Å; D1512-R1521 IonicContact OD1-CZ 2.74Å; D1512-R1521 IonicContact OD1-NE 3.54Å; D1512-R1521 PolarHBondContact OD1-NE 2.88Å; D1512-R1521 VanDerWaalsContact OD1-NE 3.17Å; D1512-K1524 WeakPolarHBondContact OD1-CE 3.38Å; D1512-K1524 IonicContact OD1-NZ 3.67Å; D1512-K1524 PolarHBondContact OD1-NZ 2.75Å; D1512-K1524 IonicContact OD2-NZ 2.62Å
1513S83.9Confident84.6Confident102 Ų10273.6 Ų73.671%0.71339%0.392SS*.  trans-61.7-39.8-172.952.10000114.9K1515S1513-K1515 PolarHBondContact O-N 2.94Å
1514R80.3Confident84.4Confident159 Ų15974.7 Ų74.760%0.639%0.389SS*.  trans-84.1104.6179.7-74.4-178.9179.6-114.39.5111.4D1512 E1516 M1517 R1521D1512-R1514 PolarHBondContact O-N 3.49Å; R1514-E1516 HydrophobicContact CB-CG 4.16Å; R1514-E1516 VanDerWaalsContact CD-OE1 3.31Å; R1514-E1516 WeakPolarHBondContact CD-OE1 3.34Å; R1514-E1516 IonicContact CZ-OE1 3.98Å; R1514-E1516 IonicContact NE-OE1 3.67Å; R1514-E1516 IonicContact NH1-OE1 2.85Å; R1514-E1516 PolarHBondContact NH1-OE1 3.29Å; R1514-M1517 HydrophobicContact CB-CG 4.06Å; R1514-M1517 PolarHBondContact O-N 2.7Å; R1514-R1521 PolarHBondContact O-NH1 3.17Å; R1514-R1521 PolarHBondContact O-NH2 3.46Å
1515K80.7Confident84.2Confident183 Ų18378.1 Ų78.180%0.79641%0.41SS*.G310 helixtrans-66.5-32.7177.1-67.6-175178.8-179.60113.6S1513 M1517 E1518S1513-K1515 PolarHBondContact O-N 2.94Å; K1515-M1517 PolarHBondContact O-N 3.45Å; K1515-M1517 VanDerWaalsContact O-N 3.14Å; K1515-E1518 WeakPolarHBondContact O-CB 3.37Å; K1515-E1518 PolarHBondContact O-N 3.41Å; K1515-E1518 VanDerWaalsContact O-N 3.15Å
1516E79.6Confident83.9Confident119 Ų11977.1 Ų77.156%0.55642%0.424SS*.G310 helixtrans-54.2-29.3176.166.5-163.3168.800113.7R1514R1514-E1516 HydrophobicContact CB-CG 4.16Å; R1514-E1516 VanDerWaalsContact CD-OE1 3.31Å; R1514-E1516 WeakPolarHBondContact CD-OE1 3.34Å; R1514-E1516 IonicContact CZ-OE1 3.98Å; R1514-E1516 IonicContact NE-OE1 3.67Å; R1514-E1516 IonicContact NH1-OE1 2.85Å; R1514-E1516 PolarHBondContact NH1-OE1 3.29Å
1517M78.2Confident83.6Confident35 Ų3583.2 Ų83.217%0.17244%0.44CS..G310 helixtrans-88.22.1-177.2-58-54-66.400114.4R1514 K1515 G1519 Y1520 P1582 M1583R1514-M1517 HydrophobicContact CB-CG 4.06Å; R1514-M1517 PolarHBondContact O-N 2.7Å; K1515-M1517 PolarHBondContact O-N 3.45Å; K1515-M1517 VanDerWaalsContact O-N 3.14Å; M1517-G1519 VanDerWaalsContact C-N 3.27Å; M1517-G1519 PolarHBondContact O-N 3.42Å; M1517-Y1520 HydrophobicContact CE-CD2 3.74Å; M1517-Y1520 HydrophobicContact CE-CE2 4.33Å; M1517-Y1520 HydrophobicContact CE-CG 4.37Å; M1517-Y1520 PolarHBondContact O-N 3.38Å; M1517-Y1520 HydrophobicContact SD-CD2 4.5Å; M1517-P1582 HydrophobicContact CE-CG 4.03Å; M1517-M1583 HydrophobicContact SD-CE 3.91Å
1518E80.6Confident83.3Confident89 Ų8984.9 Ų84.942%0.41645%0.446SS..G310 helixtrans-58.5-36.4-169.9-162.668.6-167.400113K1515 Y1520 R1521 K1524K1515-E1518 WeakPolarHBondContact O-CB 3.37Å; K1515-E1518 PolarHBondContact O-N 3.41Å; K1515-E1518 VanDerWaalsContact O-N 3.15Å; E1518-Y1520 PolarHBondContact O-N 3.18Å; E1518-R1521 WeakPolarHBondContact O-CB 3.37Å; E1518-R1521 PolarHBondContact O-N 2.81Å; E1518-R1521 VanDerWaalsContact O-N 3.1Å; E1518-R1521 WeakPolarHBondContact OE2-CD 3.45Å; E1518-R1521 IonicContact OE2-CZ 2.93Å; E1518-R1521 IonicContact OE2-NE 3.44Å; E1518-R1521 IonicContact OE2-NH1 3.22Å; E1518-R1521 PolarHBondContact OE2-NH1 3.46Å; E1518-K1524 WeakPolarHBondContact OE1-CD 3.43Å; E1518-K1524 WeakPolarHBondContact OE1-CE 3.47Å; E1518-K1524 IonicContact OE1-NZ 3.67Å; E1518-K1524 PolarHBondContact OE1-NZ 2.88Å; E1518-K1524 IonicContact OE2-NZ 2.65Å; E1518-K1524 PolarHBondContact OE2-NZ 3.26Å
1519G79.5Confident83.2Confident84 Ų8488.8 Ų88.887%0.86646%0.459SS*.G310 helixtrans-64.5-19.1176.600000115M1517M1517-G1519 VanDerWaalsContact C-N 3.27Å; M1517-G1519 PolarHBondContact O-N 3.42Å
1520Y79.9Confident83.4Confident111 Ų11194.3 Ų94.344%0.43548%0.479SS..G310 helixtrans-95.5-6176-61.7-75.4000113.1M1517 E1518 F1522 P1582 M1583M1517-Y1520 HydrophobicContact CE-CD2 3.74Å; M1517-Y1520 HydrophobicContact CE-CE2 4.33Å; M1517-Y1520 HydrophobicContact CE-CG 4.37Å; M1517-Y1520 PolarHBondContact O-N 3.38Å; M1517-Y1520 HydrophobicContact SD-CD2 4.5Å; E1518-Y1520 PolarHBondContact O-N 3.18Å; Y1520-F1522 PolarHBondContact O-N 2.93Å; Y1520-P1582 HydrophobicContact CD1-CB 4.01Å; Y1520-P1582 HydrophobicContact CD1-CG 3.51Å; Y1520-P1582 HydrophobicContact CD2-CG 3.92Å; Y1520-P1582 HydrophobicContact CE1-CB 3.72Å; Y1520-P1582 HydrophobicContact CE1-CG 3.56Å; Y1520-P1582 HydrophobicContact CE2-CG 3.96Å; Y1520-P1582 HydrophobicContact CG-CG 3.7Å; Y1520-M1583 HydrophobicContact CE2-CG 4.03Å; Y1520-M1583 HydrophobicContact CE2-SD 4.32Å
1521R82.9Confident83.6Confident12 Ų1296.6 Ų96.65%0.04549%0.491CS..  trans-77.868.2179.6-64.5-166.5169.781.611.7111.8C1511 D1512 R1514 E1518 W1523 K1524C1511-R1521 PolarHBondContact O-NE 3.01Å; C1511-R1521 PolarHBondContact O-NH2 3.44Å; D1512-R1521 WeakPolarHBondContact OD1-CD 3.47Å; D1512-R1521 IonicContact OD1-CZ 2.74Å; D1512-R1521 IonicContact OD1-NE 3.54Å; D1512-R1521 PolarHBondContact OD1-NE 2.88Å; D1512-R1521 VanDerWaalsContact OD1-NE 3.17Å; R1514-R1521 PolarHBondContact O-NH1 3.17Å; R1514-R1521 PolarHBondContact O-NH2 3.46Å; E1518-R1521 WeakPolarHBondContact O-CB 3.37Å; E1518-R1521 PolarHBondContact O-N 2.81Å; E1518-R1521 VanDerWaalsContact O-N 3.1Å; E1518-R1521 WeakPolarHBondContact OE2-CD 3.45Å; E1518-R1521 IonicContact OE2-CZ 2.93Å; E1518-R1521 IonicContact OE2-NE 3.44Å; E1518-R1521 IonicContact OE2-NH1 3.22Å; E1518-R1521 PolarHBondContact OE2-NH1 3.46Å; R1521-W1523 HydrophobicContact CB-CD2 4.33Å; R1521-W1523 HydrophobicContact CB-CH2 4.05Å; R1521-W1523 HydrophobicContact CB-CZ2 3.83Å; R1521-W1523 HydrophobicContact CB-CZ3 4.39Å; R1521-W1523 HydrophobicContact CG-CH2 3.73Å; R1521-W1523 HydrophobicContact CG-CZ2 3.54Å; R1521-W1523 HydrophobicContact CG-CZ3 4.49Å; R1521-W1523 PolarHBondContact O-N 3.32Å; R1521-K1524 HydrophobicContact CB-CD 4.14Å; R1521-K1524 HydrophobicContact CB-CG 4.27Å; R1521-K1524 WeakPolarHBondContact O-CB 3.33Å; R1521-K1524 PolarHBondContact O-N 3.01Å
1522F83.5Confident83.8Confident53 Ų5394 Ų9423%0.23247%0.471CS..G310 helixtrans-54.3-25.8-177.169.4-96.7000114.1Y1520 K1524 T1525 W1528 Y1537Y1520-F1522 PolarHBondContact O-N 2.93Å; F1522-K1524 PolarHBondContact O-N 3.36Å; F1522-T1525 PolarHBondContact O-N 3.38Å; F1522-T1525 PolarHBondContact O-OG1 3.46Å; F1522-W1528 AromaticContact CD2-CD1 3.7Å; F1522-W1528 HydrophobicContact CD2-CG 4.5Å; F1522-W1528 AromaticContact CD2-NE1 4Å; F1522-W1528 AromaticContact CE2-CD1 3.83Å; F1522-W1528 AromaticContact CE2-NE1 3.72Å; F1522-Y1537 HydrophobicContact CZ-CE1 4.02Å; F1522-Y1537 AromaticContact CZ-CZ 3.9Å
1523W85Confident84.1Confident23 Ų2392 Ų929%0.08747%0.472CS..G310 helixtrans-69.7-16.7177.460.591.7000114F1510 R1521 T1525 W1528 K1529 L1532 Y1537F1510-W1523 HydrophobicContact CB-CH2 4.12Å; F1510-W1523 HydrophobicContact CB-CZ2 3.69Å; F1510-W1523 AromaticContact CD1-CH2 3.35Å; F1510-W1523 HydrophobicContact CD1-CH2 3.35Å; F1510-W1523 AromaticContact CD1-CZ2 3.66Å; F1510-W1523 HydrophobicContact CD1-CZ2 3.66Å; F1510-W1523 HydrophobicContact CD1-CZ3 4.29Å; F1510-W1523 AromaticContact CD2-CH2 3.9Å; F1510-W1523 HydrophobicContact CD2-CH2 3.9Å; F1510-W1523 HydrophobicContact CD2-CZ2 4.31Å; F1510-W1523 HydrophobicContact CD2-CZ3 4.11Å; F1510-W1523 AromaticContact CE1-CH2 3.65Å; F1510-W1523 HydrophobicContact CE1-CH2 3.65Å; F1510-W1523 HydrophobicContact CE1-CZ2 4.4Å; F1510-W1523 HydrophobicContact CE1-CZ3 4.36Å; F1510-W1523 HydrophobicContact CE2-CH2 4.15Å; F1510-W1523 HydrophobicContact CE2-CZ3 4.18Å; F1510-W1523 AromaticContact CG-CH2 3.51Å; F1510-W1523 HydrophobicContact CG-CH2 3.51Å; F1510-W1523 AromaticContact CG-CZ2 3.62Å; F1510-W1523 HydrophobicContact CG-CZ2 3.62Å; F1510-W1523 HydrophobicContact CG-CZ3 4.18Å; F1510-W1523 HydrophobicContact CZ-CH2 4.04Å; F1510-W1523 HydrophobicContact CZ-CZ3 4.31Å; R1521-W1523 HydrophobicContact CB-CD2 4.33Å; R1521-W1523 HydrophobicContact CB-CH2 4.05Å; R1521-W1523 HydrophobicContact CB-CZ2 3.83Å; R1521-W1523 HydrophobicContact CB-CZ3 4.39Å; R1521-W1523 HydrophobicContact CG-CH2 3.73Å; R1521-W1523 HydrophobicContact CG-CZ2 3.54Å; R1521-W1523 HydrophobicContact CG-CZ3 4.49Å; R1521-W1523 PolarHBondContact O-N 3.32Å; W1523-T1525 VanDerWaalsContact C-N 3.34Å; W1523-W1528 HydrophobicContact CB-CB 4.19Å; W1523-K1529 PolarHBondContact O-N 3.37Å; W1523-L1532 HydrophobicContact CB-CD1 4.39Å; W1523-Y1537 HydrophobicContact CB-CD1 4.17Å; W1523-Y1537 HydrophobicContact CB-CD2 3.94Å; W1523-Y1537 HydrophobicContact CB-CG 3.69Å; W1523-Y1537 AromaticContact CD2-CD1 3.87Å; W1523-Y1537 HydrophobicContact CD2-CD1 3.87Å; W1523-Y1537 HydrophobicContact CD2-CG 4.15Å; W1523-Y1537 AromaticContact CE3-CD1 3.9Å; W1523-Y1537 HydrophobicContact CE3-CD1 3.9Å; W1523-Y1537 HydrophobicContact CE3-CE1 4.25Å; W1523-Y1537 HydrophobicContact CG-CD1 4.01Å; W1523-Y1537 AromaticContact CG-CG 3.78Å; W1523-Y1537 HydrophobicContact CG-CG 3.78Å
1524K85.5Confident84.3Confident64 Ų6495.5 Ų95.528%0.27848%0.483SS..G310 helixtrans-87.40.2175.4-66.1-175.1179.3178.40113.7D1512 E1518 R1521 F1522 K1529D1512-K1524 WeakPolarHBondContact OD1-CE 3.38Å; D1512-K1524 IonicContact OD1-NZ 3.67Å; D1512-K1524 PolarHBondContact OD1-NZ 2.75Å; D1512-K1524 IonicContact OD2-NZ 2.62Å; E1518-K1524 WeakPolarHBondContact OE1-CD 3.43Å; E1518-K1524 WeakPolarHBondContact OE1-CE 3.47Å; E1518-K1524 IonicContact OE1-NZ 3.67Å; E1518-K1524 PolarHBondContact OE1-NZ 2.88Å; E1518-K1524 IonicContact OE2-NZ 2.65Å; E1518-K1524 PolarHBondContact OE2-NZ 3.26Å; R1521-K1524 HydrophobicContact CB-CD 4.14Å; R1521-K1524 HydrophobicContact CB-CG 4.27Å; R1521-K1524 WeakPolarHBondContact O-CB 3.33Å; R1521-K1524 PolarHBondContact O-N 3.01Å; F1522-K1524 PolarHBondContact O-N 3.36Å; K1524-K1529 WeakPolarHBondContact O-CD 3.4Å
1525T86.4Confident84.6Confident92 Ų9297.1 Ų97.156%0.56449%0.489SS*.SBendtrans-131.2169.8179.159.20000111.7F1522 W1523 K1529F1522-T1525 PolarHBondContact O-N 3.38Å; F1522-T1525 PolarHBondContact O-OG1 3.46Å; W1523-T1525 VanDerWaalsContact C-N 3.34Å; T1525-K1529 PolarHBondContact O-N 3.46Å
1526G87Confident85Confident61 Ų6195.2 Ų95.263%0.62948%0.481SS*.Hα-helixtrans52.6-141.8174.100000115.1W1528 K1529 Q1530G1526-W1528 VanDerWaalsContact C-N 3.34Å; G1526-W1528 PolarHBondContact O-N 3.24Å; G1526-K1529 PolarHBondContact O-N 3.07Å; G1526-Q1530 PolarHBondContact O-N 3.36Å
1527Y85.5Confident85.4Confident155 Ų15591.7 Ų91.761%0.60846%0.462SS*.Hα-helixtrans-53.2-45.9-177.7174.8-94000113.3K1529 Q1530 H1531Y1527-K1529 PolarHBondContact O-N 2.61Å; Y1527-Q1530 PolarHBondContact O-N 2.98Å; Y1527-H1531 HydrophobicContact CD1-CB 4.42Å; Y1527-H1531 HydrophobicContact CE1-CB 4.05Å; Y1527-H1531 WeakPolarHBondContact O-CB 3.48Å; Y1527-H1531 PolarHBondContact O-N 2.85Å
1528W84.4Confident85.8Confident96 Ų9694.2 Ų94.236%0.36447%0.474SS..Hα-helixtrans-64.5-41.7-174-77.7109.7000112.5F1522 W1523 G1526 Q1530 H1531 L1532 Y1537F1522-W1528 AromaticContact CD2-CD1 3.7Å; F1522-W1528 HydrophobicContact CD2-CG 4.5Å; F1522-W1528 AromaticContact CD2-NE1 4Å; F1522-W1528 AromaticContact CE2-CD1 3.83Å; F1522-W1528 AromaticContact CE2-NE1 3.72Å; W1523-W1528 HydrophobicContact CB-CB 4.19Å; G1526-W1528 VanDerWaalsContact C-N 3.34Å; G1526-W1528 PolarHBondContact O-N 3.24Å; W1528-Q1530 VanDerWaalsContact C-N 3.3Å; W1528-Q1530 PolarHBondContact O-N 3.12Å; W1528-H1531 PolarHBondContact O-N 2.65Å; W1528-L1532 HydrophobicContact CB-CD1 4.41Å; W1528-L1532 HydrophobicContact CE3-CD1 4.27Å; W1528-L1532 HydrophobicContact CE3-CG 4.27Å; W1528-L1532 VanDerWaalsContact O-CB 3.27Å; W1528-L1532 WeakPolarHBondContact O-CB 3.24Å; W1528-L1532 WeakPolarHBondContact O-CG 3.27Å; W1528-L1532 PolarHBondContact O-N 2.79Å; W1528-Y1537 HydrophobicContact CD2-CE2 4.29Å; W1528-Y1537 HydrophobicContact CE3-CD2 4.26Å; W1528-Y1537 HydrophobicContact CE3-CE2 4.1Å; W1528-Y1537 HydrophobicContact CH2-CE2 4.15Å; W1528-Y1537 HydrophobicContact CZ2-CE2 4.32Å; W1528-Y1537 HydrophobicContact CZ3-CD2 4.44Å; W1528-Y1537 HydrophobicContact CZ3-CE2 4.03Å
1529K87Confident86Confident135 Ų13591.9 Ų91.959%0.58746%0.464SS*.Hα-helixtrans-58.4-44.2174.6-167-169.8-170.2169.60111.5W1523 K1524 T1525 G1526 Y1527 G1533W1523-K1529 PolarHBondContact O-N 3.37Å; K1524-K1529 WeakPolarHBondContact O-CD 3.4Å; T1525-K1529 PolarHBondContact O-N 3.46Å; G1526-K1529 PolarHBondContact O-N 3.07Å; Y1527-K1529 PolarHBondContact O-N 2.61Å; K1529-G1533 PolarHBondContact O-N 2.97Å; K1529-G1533 VanDerWaalsContact O-N 3.1Å
1530Q91.5Very high86.2Confident172 Ų17290.6 Ų90.680%0.80444%0.442SS*.Hα-helixtrans-70.5-35.5-179.1-171.6177.63.600112.7G1526 Y1527 W1528G1526-Q1530 PolarHBondContact O-N 3.36Å; Y1527-Q1530 PolarHBondContact O-N 2.98Å; W1528-Q1530 VanDerWaalsContact C-N 3.3Å; W1528-Q1530 PolarHBondContact O-N 3.12Å
1531H87.6Confident86.4Confident111 Ų11186 Ų8651%0.51443%0.426SS..Hα-helixtrans-78.6-37.4-179.1-172.784.1000113.1Y1527 W1528Y1527-H1531 HydrophobicContact CD1-CB 4.42Å; Y1527-H1531 HydrophobicContact CE1-CB 4.05Å; Y1527-H1531 WeakPolarHBondContact O-CB 3.48Å; Y1527-H1531 PolarHBondContact O-N 2.85Å; W1528-H1531 PolarHBondContact O-N 2.65Å
1532L87.5Confident86.8Confident27 Ų2787.8 Ų87.814%0.14144%0.436CS..Hα-helixtrans-78.3-37.4179.8-66.7169.3000112.3W1523 W1528 D1534 R1535 Y1537W1523-L1532 HydrophobicContact CB-CD1 4.39Å; W1528-L1532 HydrophobicContact CB-CD1 4.41Å; W1528-L1532 HydrophobicContact CE3-CD1 4.27Å; W1528-L1532 HydrophobicContact CE3-CG 4.27Å; W1528-L1532 VanDerWaalsContact O-CB 3.27Å; W1528-L1532 WeakPolarHBondContact O-CB 3.24Å; W1528-L1532 WeakPolarHBondContact O-CG 3.27Å; W1528-L1532 PolarHBondContact O-N 2.79Å; L1532-D1534 PolarHBondContact O-N 3.21Å; L1532-R1535 HydrophobicContact CB-CB 4.36Å; L1532-R1535 HydrophobicContact CD2-CB 4.43Å; L1532-R1535 VanDerWaalsContact O-CB 3.31Å; L1532-R1535 WeakPolarHBondContact O-CB 3.29Å; L1532-R1535 VanDerWaalsContact O-CG 3.31Å; L1532-R1535 WeakPolarHBondContact O-CG 3.44Å; L1532-R1535 PolarHBondContact O-N 3.16Å; L1532-R1535 VanDerWaalsContact O-N 3.12Å; L1532-Y1537 HydrophobicContact CD1-CD2 4.17Å
1533G89.2Confident87.2Confident49 Ų4985.5 Ų85.551%0.50543%0.426SS..THydrogen-bonded Turntrans59.7-124.2-166.500000110K1529 R1535K1529-G1533 PolarHBondContact O-N 2.97Å; K1529-G1533 VanDerWaalsContact O-N 3.1Å; G1533-R1535 VanDerWaalsContact C-N 3.27Å; G1533-R1535 PolarHBondContact O-N 2.79Å
1534D87.9Confident87.7Confident176 Ų17684.6 Ų84.694%0.94142%0.423SS*.THydrogen-bonded Turntrans-81.3-1.1178.1-50.6-59.7000113.9L1532L1532-D1534 PolarHBondContact O-N 3.21Å
1535R88.1Confident88.1Confident192 Ų19281.5 Ų81.573%0.72541%0.41SS*.PPolyproline II helixtrans-75.1140.3179.4-59.2-179.3-134.7-169.33.2111.2L1532 G1533L1532-R1535 HydrophobicContact CB-CB 4.36Å; L1532-R1535 HydrophobicContact CD2-CB 4.43Å; L1532-R1535 VanDerWaalsContact O-CB 3.31Å; L1532-R1535 WeakPolarHBondContact O-CB 3.29Å; L1532-R1535 VanDerWaalsContact O-CG 3.31Å; L1532-R1535 WeakPolarHBondContact O-CG 3.44Å; L1532-R1535 PolarHBondContact O-N 3.16Å; L1532-R1535 VanDerWaalsContact O-N 3.12Å; G1533-R1535 VanDerWaalsContact C-N 3.27Å; G1533-R1535 PolarHBondContact O-N 2.79Å
1536K89.3Confident88.4Confident143 Ų14378.5 Ų78.562%0.62239%0.39SS*.PPolyproline II helixtrans-70.8149.3175.2-61.7-179.7-176175.10111.2P1509 H1538P1509-K1536 HydrophobicContact CB-CB 3.97Å; P1509-K1536 HydrophobicContact CB-CD 3.75Å; P1509-K1536 HydrophobicContact CB-CG 4.46Å; P1509-K1536 HydrophobicContact CG-CD 4.23Å; K1536-H1538 PolarHBondContact O-CE1 3.29Å; K1536-H1538 PolarHBondContact O-ND1 3.19Å
1537Y87.2Confident88.6Confident45 Ų4575.6 Ų75.618%0.17636%0.36CS..PPolyproline II helixtrans-82.1142.2164.5-168.9-105.9000109.3P1509 F1510 F1522 W1523 W1528 L1532P1509-Y1537 WeakPolarHBondContact CA-O 3.34Å; F1510-Y1537 AromaticContact CD2-CD1 3.95Å; F1510-Y1537 HydrophobicContact CD2-CD1 3.95Å; F1510-Y1537 HydrophobicContact CD2-CE1 4.26Å; F1510-Y1537 PolarHBondContact N-O 3.34Å; F1522-Y1537 HydrophobicContact CZ-CE1 4.02Å; F1522-Y1537 AromaticContact CZ-CZ 3.9Å; W1523-Y1537 HydrophobicContact CB-CD1 4.17Å; W1523-Y1537 HydrophobicContact CB-CD2 3.94Å; W1523-Y1537 HydrophobicContact CB-CG 3.69Å; W1523-Y1537 AromaticContact CD2-CD1 3.87Å; W1523-Y1537 HydrophobicContact CD2-CD1 3.87Å; W1523-Y1537 HydrophobicContact CD2-CG 4.15Å; W1523-Y1537 AromaticContact CE3-CD1 3.9Å; W1523-Y1537 HydrophobicContact CE3-CD1 3.9Å; W1523-Y1537 HydrophobicContact CE3-CE1 4.25Å; W1523-Y1537 HydrophobicContact CG-CD1 4.01Å; W1523-Y1537 AromaticContact CG-CG 3.78Å; W1523-Y1537 HydrophobicContact CG-CG 3.78Å; W1528-Y1537 HydrophobicContact CD2-CE2 4.29Å; W1528-Y1537 HydrophobicContact CE3-CD2 4.26Å; W1528-Y1537 HydrophobicContact CE3-CE2 4.1Å; W1528-Y1537 HydrophobicContact CH2-CE2 4.15Å; W1528-Y1537 HydrophobicContact CZ2-CE2 4.32Å; W1528-Y1537 HydrophobicContact CZ3-CD2 4.44Å; W1528-Y1537 HydrophobicContact CZ3-CE2 4.03Å; L1532-Y1537 HydrophobicContact CD1-CD2 4.17Å
1538H87.4Confident88.7Confident89 Ų8971.9 Ų71.941%0.41235%0.347SS..EExtended strand (participates in β ladder)trans-123.1150.1-167.4-66.688.1000112.3T1508 K1536T1508-H1538 CarbonylContact O-C 3.57Å; T1508-H1538 VanDerWaalsContact O-CA 3.31Å; T1508-H1538 WeakPolarHBondContact O-CA 3.39Å; K1536-H1538 PolarHBondContact O-CE1 3.29Å; K1536-H1538 PolarHBondContact O-ND1 3.19Å
1539I84.1Confident88.8Confident39 Ų3970.6 Ų70.620%0.235%0.345CS..EExtended strand (participates in β ladder)trans-99.4133.9-179-49.4-177.7000109.6Y1507 T1508 F1510 A1541Y1507-I1539 WeakPolarHBondContact CD1-O 3.33Å; T1508-I1539 PolarHBondContact O-N 2.92Å; F1510-I1539 HydrophobicContact CB-CG1 4.37Å; F1510-I1539 HydrophobicContact CD1-CD1 4.31Å; F1510-I1539 HydrophobicContact CD2-CD1 3.82Å; F1510-I1539 HydrophobicContact CD2-CG1 3.48Å; F1510-I1539 VanDerWaalsContact CD2-CG1 3.48Å; F1510-I1539 HydrophobicContact CE1-CD1 4.47Å; F1510-I1539 HydrophobicContact CE2-CD1 4Å; F1510-I1539 HydrophobicContact CE2-CG1 3.87Å; F1510-I1539 HydrophobicContact CG-CD1 3.97Å; F1510-I1539 HydrophobicContact CG-CG1 3.99Å; F1510-I1539 HydrophobicContact CZ-CD1 4.32Å; I1539-A1541 VanDerWaalsContact C-N 3.33Å; I1539-A1541 HydrophobicContact CG2-CB 3.97Å; I1539-A1541 PolarHBondContact O-N 2.67Å
1540S84.1Confident89Confident58 Ų5864.2 Ų64.241%0.40632%0.317SS..EExtended strand (participates in β ladder)trans-84.34.2-177.550.40000115.4F1481 Y1543F1481-S1540 WeakPolarHBondContact CE1-O 3.33Å; S1540-Y1543 WeakPolarHBondContact O-CD1 3.33Å; S1540-Y1543 VanDerWaalsContact O-CE1 3.28Å; S1540-Y1543 WeakPolarHBondContact O-CE1 3.39Å
1541A83.8Confident88.8Confident13 Ų1356.4 Ų56.411%0.10728%0.28CS..EExtended strand (participates in β ladder)trans-79.6-23.8-174.700000114.7D1483 I1539D1483-A1541 HydrophobicContact CB-CB 4.23Å; D1483-A1541 PolarHBondContact N-O 3.42Å; D1483-A1541 WeakPolarHBondContact OD2-CA 3.42Å; I1539-A1541 VanDerWaalsContact C-N 3.33Å; I1539-A1541 HydrophobicContact CG2-CB 3.97Å; I1539-A1541 PolarHBondContact O-N 2.67Å
1542L90.6Very high88.5Confident50 Ų5053.6 Ų53.626%0.26227%0.267SS..EExtended strand (participates in β ladder)trans-147.7120.5179.3176.264.6000109.9I1480 F1481 V1482 L1495 T1508I1480-L1542 HydrophobicContact CG2-CD1 3.92Å; F1481-L1542 WeakPolarHBondContact O-CA 3.05Å; F1481-L1542 WeakPolarHBondContact O-CD1 3.49Å; V1482-L1542 HydrophobicContact CG2-CD1 4.02Å; L1495-L1542 HydrophobicContact CD2-CD1 4.15Å; L1495-L1542 HydrophobicContact CD2-CG 4.48Å; T1508-L1542 HydrophobicContact CG2-CD2 4.26Å; T1508-L1542 HydrophobicContact CG2-CG 4.49Å
1543Y92.6Very high88.3Confident5 Ų555 Ų552%0.0227%0.274CS..EExtended strand (participates in β ladder)trans-155.9155.5175.956.8-89000112.6K1464 I1480 F1481 G1506 Y1507 S1540 V1545K1464-Y1543 PolarHBondContact O-OH 2.72Å; I1480-Y1543 CarbonylContact C-O 3.52Å; I1480-Y1543 WeakPolarHBondContact CA-O 3.29Å; F1481-Y1543 HydrophobicContact CB-CD1 3.99Å; F1481-Y1543 HydrophobicContact CB-CD2 3.99Å; F1481-Y1543 HydrophobicContact CB-CE1 3.55Å; F1481-Y1543 HydrophobicContact CB-CE2 3.53Å; F1481-Y1543 HydrophobicContact CB-CG 4.18Å; F1481-Y1543 WeakPolarHBondContact CB-OH 3.31Å; F1481-Y1543 AromaticContact CD1-CD1 3.78Å; F1481-Y1543 HydrophobicContact CD1-CD1 3.78Å; F1481-Y1543 AromaticContact CD1-CE1 3.12Å; F1481-Y1543 HydrophobicContact CD1-CE1 3.12Å; F1481-Y1543 AromaticContact CD1-CZ 3.62Å; F1481-Y1543 AromaticContact CE1-CE1 3.97Å; F1481-Y1543 HydrophobicContact CE1-CE1 3.97Å; F1481-Y1543 HydrophobicContact CG-CD1 4.24Å; F1481-Y1543 AromaticContact CG-CE1 3.47Å; F1481-Y1543 HydrophobicContact CG-CE1 3.47Å; F1481-Y1543 VanDerWaalsContact CG-CE1 3.47Å; F1481-Y1543 HydrophobicContact CG-CE2 4.22Å; F1481-Y1543 AromaticContact CG-CZ 3.41Å; F1481-Y1543 VanDerWaalsContact CG-CZ 3.41Å; F1481-Y1543 VanDerWaalsContact CG-OH 3.22Å; F1481-Y1543 WeakPolarHBondContact CG-OH 3.39Å; F1481-Y1543 PolarHBondContact N-O 3.46Å; F1481-Y1543 PolarHBondContact O-N 2.88Å; G1506-Y1543 CarbonylContact O-C 3.56Å; G1506-Y1543 VanDerWaalsContact O-CA 3.24Å; G1506-Y1543 WeakPolarHBondContact O-CA 3.43Å; G1506-Y1543 VanDerWaalsContact O-CB 3.23Å; G1506-Y1543 WeakPolarHBondContact O-CB 3.18Å; Y1507-Y1543 AromaticContact CD1-CD1 3.86Å; Y1507-Y1543 HydrophobicContact CD1-CD1 3.86Å; Y1507-Y1543 AromaticContact CD1-CG 3.86Å; Y1507-Y1543 HydrophobicContact CD1-CG 3.86Å; Y1507-Y1543 AromaticContact CE1-CD1 3.23Å; Y1507-Y1543 HydrophobicContact CE1-CD1 3.23Å; Y1507-Y1543 HydrophobicContact CE1-CD2 4.07Å; Y1507-Y1543 AromaticContact CE1-CE1 3.9Å; Y1507-Y1543 HydrophobicContact CE1-CE1 3.9Å; Y1507-Y1543 AromaticContact CE1-CG 3.35Å; Y1507-Y1543 HydrophobicContact CE1-CG 3.35Å; Y1507-Y1543 HydrophobicContact CE2-CD2 4.4Å; Y1507-Y1543 HydrophobicContact CE2-CG 4.26Å; Y1507-Y1543 HydrophobicContact CG-CG 4.48Å; Y1507-Y1543 AromaticContact CZ-CD1 3.82Å; Y1507-Y1543 AromaticContact CZ-CD2 3.81Å; Y1507-Y1543 AromaticContact CZ-CG 3.57Å; S1540-Y1543 WeakPolarHBondContact O-CD1 3.33Å; S1540-Y1543 VanDerWaalsContact O-CE1 3.28Å; S1540-Y1543 WeakPolarHBondContact O-CE1 3.39Å; Y1543-V1545 HydrophobicContact CD2-CG2 3.63Å; Y1543-V1545 HydrophobicContact CE2-CG2 3.72Å
1544V94.6Very high88Confident4 Ų453.4 Ų53.42%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-105.2144.4175.4-174.30000109.3K1478 I1479 I1480 L1495 M1496 L1500 Y1505 G1506K1478-V1544 HydrophobicContact CD-CG1 3.91Å; K1478-V1544 HydrophobicContact CG-CG1 3.99Å; I1479-V1544 WeakPolarHBondContact O-CA 3.35Å; I1480-V1544 HydrophobicContact CG1-CG2 4.33Å; L1495-V1544 HydrophobicContact CD2-CG2 3.61Å; L1495-V1544 HydrophobicContact CG-CG2 3.61Å; M1496-V1544 HydrophobicContact CE-CG1 4.37Å; L1500-V1544 HydrophobicContact CD1-CG1 4.37Å; Y1505-V1544 CarbonylContact C-O 3.55Å; Y1505-V1544 WeakPolarHBondContact CA-O 3.45Å; Y1505-V1544 VanDerWaalsContact CB-O 3.22Å; Y1505-V1544 WeakPolarHBondContact CB-O 3.17Å; G1506-V1544 PolarHBondContact N-O 2.93Å; G1506-V1544 PolarHBondContact O-N 3.5Å
1545V93.9Very high87.9Confident0 Ų045.4 Ų45.40%021%0.214CC..EExtended strand (participates in β ladder)trans-131.9123.4176.6-167.50000109.7L1468 K1478 I1479 Y1543 L1547 F1550L1468-V1545 HydrophobicContact CD1-CG1 4.39Å; L1468-V1545 HydrophobicContact CD1-CG2 4.09Å; K1478-V1545 CarbonylContact C-O 3.59Å; K1478-V1545 VanDerWaalsContact CA-O 3.27Å; K1478-V1545 WeakPolarHBondContact CA-O 3.39Å; K1478-V1545 VanDerWaalsContact CG-O 3.26Å; K1478-V1545 WeakPolarHBondContact CG-O 3.1Å; I1479-V1545 HydrophobicContact CD1-CB 4.47Å; I1479-V1545 HydrophobicContact CG1-CB 3.88Å; I1479-V1545 HydrophobicContact CG1-CG2 4.27Å; I1479-V1545 PolarHBondContact N-O 2.68Å; I1479-V1545 PolarHBondContact O-N 2.83Å; Y1543-V1545 HydrophobicContact CD2-CG2 3.63Å; Y1543-V1545 HydrophobicContact CE2-CG2 3.72Å; V1545-L1547 HydrophobicContact CB-CD2 4.4Å; V1545-L1547 HydrophobicContact CG1-CD2 3.86Å; V1545-L1547 PolarHBondContact O-N 3.44Å; V1545-F1550 HydrophobicContact CG1-CB 4.28Å; V1545-F1550 HydrophobicContact CG1-CD2 3.74Å; V1545-F1550 HydrophobicContact CG1-CE2 4.36Å; V1545-F1550 HydrophobicContact CG1-CG 4.19Å
1546D93.7Very high87.8Confident28 Ų2836.2 Ų36.215%0.1518%0.18CC..EExtended strand (participates in β ladder)trans-86.694.9168.5-167.1-72.9000109K1478 L1500 P1504 K1548 K1549 F1550K1478-D1546 VanDerWaalsContact CE-OD2 3.28Å; K1478-D1546 WeakPolarHBondContact CE-OD2 3.45Å; K1478-D1546 HydrophobicContact CG-CB 4.32Å; L1500-D1546 HydrophobicContact CD1-CB 4.27Å; P1504-D1546 PolarHBondContact O-N 3.15Å; D1546-K1548 PolarHBondContact O-N 2.99Å; D1546-K1548 WeakPolarHBondContact OD1-CB 3.48Å; D1546-K1548 PolarHBondContact OD1-N 3.13Å; D1546-K1549 HydrophobicContact CB-CB 4.15Å; D1546-K1549 PolarHBondContact O-N 3.33Å; D1546-K1549 WeakPolarHBondContact OD1-CB 3.48Å; D1546-K1549 PolarHBondContact OD1-N 2.93Å; D1546-F1550 WeakPolarHBondContact O-CB 3.29Å; D1546-F1550 PolarHBondContact O-N 3.35Å
1547L91.4Very high87.5Confident0 Ų030 Ų300%015%0.153CC..Hα-helixtrans-61.2-31.1-176.8-63.2-176.3000112.2L1468 F1472 V1476 K1477 I1479 V1545 R1551L1468-L1547 HydrophobicContact CB-CD2 4.39Å; L1468-L1547 VanDerWaalsContact O-CD2 3.3Å; L1468-L1547 WeakPolarHBondContact O-CD2 3.49Å; F1472-L1547 HydrophobicContact CB-CD1 4.05Å; F1472-L1547 HydrophobicContact CD2-CD1 3.89Å; F1472-L1547 HydrophobicContact CD2-CD2 4.47Å; F1472-L1547 HydrophobicContact CG-CD1 4.13Å; V1476-L1547 HydrophobicContact CB-CD1 4.11Å; V1476-L1547 HydrophobicContact CG1-CD1 3.9Å; K1477-L1547 WeakPolarHBondContact O-CA 3.45Å; K1477-L1547 WeakPolarHBondContact O-CB 3.41Å; K1477-L1547 PolarHBondContact O-N 2.74Å; I1479-L1547 HydrophobicContact CD1-CD1 4.47Å; I1479-L1547 HydrophobicContact CD1-CD2 4.23Å; I1479-L1547 HydrophobicContact CG1-CD1 4.44Å; I1479-L1547 HydrophobicContact CG1-CD2 4.31Å; I1479-L1547 HydrophobicContact CG1-CG 4.28Å; I1479-L1547 HydrophobicContact CG2-CD1 3.85Å; I1479-L1547 HydrophobicContact CG2-CG 4.41Å; V1545-L1547 HydrophobicContact CB-CD2 4.4Å; V1545-L1547 HydrophobicContact CG1-CD2 3.86Å; V1545-L1547 PolarHBondContact O-N 3.44Å; L1547-R1551 WeakPolarHBondContact O-CB 3.44Å; L1547-R1551 WeakPolarHBondContact O-CD 3.34Å; L1547-R1551 WeakPolarHBondContact O-CG 3.41Å; L1547-R1551 PolarHBondContact O-N 3.31Å
1548K86.2Confident87.4Confident77 Ų7735.7 Ų35.734%0.33518%0.175SC..Hα-helixtrans-62.3-52.5173.5167.5177.4168.7-1790110.8W1347 K1477 D1546 Q1552W1347-K1548 HydrophobicContact CB-CD 3.81Å; W1347-K1548 HydrophobicContact CB-CG 4.14Å; W1347-K1548 HydrophobicContact CD2-CG 3.98Å; W1347-K1548 HydrophobicContact CG-CD 3.99Å; W1347-K1548 HydrophobicContact CG-CG 3.73Å; K1477-K1548 PolarHBondContact O-N 3.4Å; K1477-K1548 VanDerWaalsContact O-N 3.12Å; D1546-K1548 PolarHBondContact O-N 2.99Å; D1546-K1548 WeakPolarHBondContact OD1-CB 3.48Å; D1546-K1548 PolarHBondContact OD1-N 3.13Å; K1548-Q1552 VanDerWaalsContact O-CB 3.32Å; K1548-Q1552 WeakPolarHBondContact O-CB 3.38Å; K1548-Q1552 PolarHBondContact O-N 3.19Å
1549K87.2Confident87.5Confident70 Ų7033.3 Ų33.330%0.30416%0.164SC..Hα-helixtrans-70.3-40.4179.8-166.766.6170.4-173.70112.1G1502 D1546 R1551 Q1552 I1553G1502-K1549 WeakPolarHBondContact O-CE 3.39Å; D1546-K1549 HydrophobicContact CB-CB 4.15Å; D1546-K1549 PolarHBondContact O-N 3.33Å; D1546-K1549 WeakPolarHBondContact OD1-CB 3.48Å; D1546-K1549 PolarHBondContact OD1-N 2.93Å; K1549-R1551 PolarHBondContact O-N 2.84Å; K1549-Q1552 PolarHBondContact O-N 3.17Å; K1549-Q1552 VanDerWaalsContact O-N 3.16Å; K1549-I1553 HydrophobicContact CD-CG2 4.4Å; K1549-I1553 WeakPolarHBondContact O-CG1 3.48Å; K1549-I1553 PolarHBondContact O-N 3.33Å
1550F90.4Very high87.6Confident0 Ų031.4 Ų31.40%016%0.155CC..Hα-helixtrans-58.4-46.1176.5-172.6-77.7000111.8L1468 D1469 P1504 Y1505 V1545 D1546 A1554 A1555 G1556 L1559L1468-F1550 HydrophobicContact CB-CE1 4.15Å; L1468-F1550 HydrophobicContact CB-CZ 4.01Å; L1468-F1550 HydrophobicContact CD1-CE2 4.24Å; L1468-F1550 HydrophobicContact CD1-CZ 4.32Å; D1469-F1550 HydrophobicContact CB-CD1 3.9Å; D1469-F1550 HydrophobicContact CB-CE1 3.81Å; P1504-F1550 HydrophobicContact CB-CB 4.07Å; P1504-F1550 HydrophobicContact CB-CD2 4.1Å; P1504-F1550 HydrophobicContact CB-CG 4.5Å; Y1505-F1550 AromaticContact CD1-CD2 3.92Å; Y1505-F1550 HydrophobicContact CD1-CD2 3.92Å; Y1505-F1550 AromaticContact CD1-CE2 3.92Å; Y1505-F1550 HydrophobicContact CD1-CE2 3.92Å; Y1505-F1550 HydrophobicContact CE1-CD2 4.43Å; Y1505-F1550 HydrophobicContact CE1-CE2 4.15Å; V1545-F1550 HydrophobicContact CG1-CB 4.28Å; V1545-F1550 HydrophobicContact CG1-CD2 3.74Å; V1545-F1550 HydrophobicContact CG1-CE2 4.36Å; V1545-F1550 HydrophobicContact CG1-CG 4.19Å; D1546-F1550 WeakPolarHBondContact O-CB 3.29Å; D1546-F1550 PolarHBondContact O-N 3.35Å; F1550-A1554 PolarHBondContact O-N 3.31Å; F1550-A1555 HydrophobicContact CD1-CB 4.04Å; F1550-A1555 HydrophobicContact CD2-CB 3.73Å; F1550-A1555 HydrophobicContact CE1-CB 4.16Å; F1550-A1555 HydrophobicContact CE2-CB 3.85Å; F1550-A1555 HydrophobicContact CG-CB 3.82Å; F1550-A1555 HydrophobicContact CZ-CB 4.06Å; F1550-A1555 PolarHBondContact O-N 2.72Å; F1550-G1556 VanDerWaalsContact CE1-N 3.33Å; F1550-L1559 HydrophobicContact CE2-CD1 3.99Å; F1550-L1559 HydrophobicContact CZ-CD1 3.82Å
1551R87.5Confident87.5Confident9 Ų930.3 Ų30.33%0.03415%0.153CC..Hα-helixtrans-67.3-42.5172.1-69.2169.4-177.2144.2-8.4111.2W1347 D1469 F1472 P1473 V1476 L1547 K1549 I1553 A1554W1347-R1551 HydrophobicContact CH2-CB 3.93Å; W1347-R1551 HydrophobicContact CH2-CG 4.43Å; W1347-R1551 HydrophobicContact CZ2-CB 3.84Å; D1469-R1551 HydrophobicContact CB-CG 3.88Å; D1469-R1551 PolarHBondContact O-NE 3.25Å; D1469-R1551 PolarHBondContact O-NH2 3.37Å; F1472-R1551 PolarHBondContact O-NH2 3Å; P1473-R1551 PolarHBondContact O-NH2 3.2Å; V1476-R1551 PolarHBondContact O-NH1 3.38Å; L1547-R1551 WeakPolarHBondContact O-CB 3.44Å; L1547-R1551 WeakPolarHBondContact O-CD 3.34Å; L1547-R1551 WeakPolarHBondContact O-CG 3.41Å; L1547-R1551 PolarHBondContact O-N 3.31Å; K1549-R1551 PolarHBondContact O-N 2.84Å; R1551-I1553 PolarHBondContact O-N 3.38Å; R1551-A1554 PolarHBondContact O-N 3.32Å
1552Q81.7Confident87.6Confident52 Ų5236.6 Ų36.624%0.24318%0.18CC..Hα-helixtrans-57.6-44.8-179.4-175.5-177-0.700113K1548 K1549 A1554K1548-Q1552 VanDerWaalsContact O-CB 3.32Å; K1548-Q1552 WeakPolarHBondContact O-CB 3.38Å; K1548-Q1552 PolarHBondContact O-N 3.19Å; K1549-Q1552 PolarHBondContact O-N 3.17Å; K1549-Q1552 VanDerWaalsContact O-N 3.16Å; Q1552-A1554 VanDerWaalsContact C-N 3.32Å
1553I83.3Confident87.5Confident55 Ų5535.3 Ų35.328%0.28217%0.172SC..THydrogen-bonded Turntrans-906.2-177.574.5-179000113.8P1504 K1549 R1551 A1555 R1558P1504-I1553 HydrophobicContact CB-CD1 3.9Å; P1504-I1553 HydrophobicContact CG-CD1 3.85Å; K1549-I1553 HydrophobicContact CD-CG2 4.4Å; K1549-I1553 WeakPolarHBondContact O-CG1 3.48Å; K1549-I1553 PolarHBondContact O-N 3.33Å; R1551-I1553 PolarHBondContact O-N 3.38Å; I1553-A1555 VanDerWaalsContact C-N 3.32Å; I1553-A1555 HydrophobicContact CD1-CB 4.35Å; I1553-A1555 HydrophobicContact CG1-CB 4Å; I1553-A1555 PolarHBondContact O-N 2.68Å; I1553-R1558 PolarHBondContact O-NE 3.27Å; I1553-R1558 PolarHBondContact O-NH2 3.44Å
1554A82.3Confident87.1Confident16 Ų1637.9 Ų37.913%0.13218%0.184CC..THydrogen-bonded Turntrans51.144.1-17300000113.6F1550 R1551 Q1552 G1556 D1557 R1558F1550-A1554 PolarHBondContact O-N 3.31Å; R1551-A1554 PolarHBondContact O-N 3.32Å; Q1552-A1554 VanDerWaalsContact C-N 3.32Å; A1554-G1556 VanDerWaalsContact C-N 3.29Å; A1554-G1556 PolarHBondContact O-N 3.41Å; A1554-D1557 PolarHBondContact O-N 3.39Å; A1554-R1558 PolarHBondContact O-N 3.2Å
1555A86.3Confident86.5Confident8 Ų840.3 Ų40.37%0.06621%0.209CC..Hα-helixtrans-60.2-38.4-177.700000112.4P1504 F1550 I1553 D1557 R1558 L1559P1504-A1555 HydrophobicContact CB-CB 4.49Å; F1550-A1555 HydrophobicContact CD1-CB 4.04Å; F1550-A1555 HydrophobicContact CD2-CB 3.73Å; F1550-A1555 HydrophobicContact CE1-CB 4.16Å; F1550-A1555 HydrophobicContact CE2-CB 3.85Å; F1550-A1555 HydrophobicContact CG-CB 3.82Å; F1550-A1555 HydrophobicContact CZ-CB 4.06Å; F1550-A1555 PolarHBondContact O-N 2.72Å; I1553-A1555 VanDerWaalsContact C-N 3.32Å; I1553-A1555 HydrophobicContact CD1-CB 4.35Å; I1553-A1555 HydrophobicContact CG1-CB 4Å; I1553-A1555 PolarHBondContact O-N 2.68Å; A1555-D1557 PolarHBondContact O-N 2.92Å; A1555-R1558 PolarHBondContact O-N 3.44Å; A1555-L1559 WeakPolarHBondContact O-CG 3.47Å; A1555-L1559 PolarHBondContact O-N 2.8Å
1556G86.4Confident86.2Confident0 Ų044.6 Ų44.60%023%0.232CC..Hα-helixtrans-59.1-43.3177.100000113.4F1550 A1554 L1559 R1560F1550-G1556 VanDerWaalsContact CE1-N 3.33Å; A1554-G1556 VanDerWaalsContact C-N 3.29Å; A1554-G1556 PolarHBondContact O-N 3.41Å; G1556-L1559 PolarHBondContact O-N 3.19Å; G1556-R1560 WeakPolarHBondContact O-CB 3.44Å; G1556-R1560 VanDerWaalsContact O-CG 3.31Å; G1556-R1560 WeakPolarHBondContact O-CG 3.4Å; G1556-R1560 PolarHBondContact O-N 2.95Å; G1556-R1560 PolarHBondContact O-NE 2.88Å
1557D83.9Confident85.7Confident13 Ų1343.4 Ų43.47%0.0723%0.226CC..Hα-helixtrans-67.1-39.2178.7-74.5-38.8000112.2M1246 A1247 A1554 A1555 R1560 G1561M1246-D1557 WeakPolarHBondContact CB-OD1 3.04Å; A1247-D1557 HydrophobicContact CB-CB 4.17Å; A1247-D1557 WeakPolarHBondContact CB-OD2 3.5Å; A1247-D1557 PolarHBondContact N-OD2 3.22Å; A1554-D1557 PolarHBondContact O-N 3.39Å; A1555-D1557 PolarHBondContact O-N 2.92Å; D1557-R1560 PolarHBondContact O-N 2.9Å; D1557-R1560 IonicContact OD1-CZ 3.56Å; D1557-R1560 IonicContact OD1-NE 3.82Å; D1557-R1560 PolarHBondContact OD1-NE 3.1Å; D1557-R1560 IonicContact OD1-NH2 3.29Å; D1557-R1560 PolarHBondContact OD1-NH2 2.79Å; D1557-R1560 IonicContact OD2-NH2 2.59Å; D1557-G1561 PolarHBondContact O-N 2.99Å
1558R84.6Confident85.2Confident164 Ų16450 Ų5062%0.61925%0.254SS*.Hα-helixtrans-61-45.1174-61.3178.7-169.9-154.70.3111.4I1553 A1554 A1555 G1561 Q1562I1553-R1558 PolarHBondContact O-NE 3.27Å; I1553-R1558 PolarHBondContact O-NH2 3.44Å; A1554-R1558 PolarHBondContact O-N 3.2Å; A1555-R1558 PolarHBondContact O-N 3.44Å; R1558-G1561 PolarHBondContact O-N 3.1Å; R1558-Q1562 PolarHBondContact O-N 3.32Å
1559L88.3Confident84.9Confident38 Ų3850 Ų5020%0.19926%0.258CS..Hα-helixtrans-63.7-46.4177.3-72.1164.1000111.6I1465 L1466 F1550 A1555 G1556 G1561 Q1562 Y1563I1465-L1559 HydrophobicContact CD1-CD1 3.99Å; I1465-L1559 HydrophobicContact CG1-CD1 4.14Å; I1465-L1559 HydrophobicContact CG1-CD2 4.49Å; L1466-L1559 HydrophobicContact CD2-CB 4.5Å; F1550-L1559 HydrophobicContact CE2-CD1 3.99Å; F1550-L1559 HydrophobicContact CZ-CD1 3.82Å; A1555-L1559 WeakPolarHBondContact O-CG 3.47Å; A1555-L1559 PolarHBondContact O-N 2.8Å; G1556-L1559 PolarHBondContact O-N 3.19Å; L1559-G1561 VanDerWaalsContact C-N 3.33Å; L1559-G1561 PolarHBondContact O-N 2.77Å; L1559-Q1562 PolarHBondContact O-N 2.71Å; L1559-Y1563 VanDerWaalsContact O-CB 3.24Å; L1559-Y1563 WeakPolarHBondContact O-CB 3.39Å; L1559-Y1563 PolarHBondContact O-N 3.16Å
1560R87.5Confident84.2Confident0 Ų050.6 Ų50.60%027%0.269CS..Hα-helixtrans-61.2-40175.6-72.6-179.2-71.1-97.210.1112.2W1449 L1450 L1466 D1469 G1556 D1557 H1564W1449-R1560 HydrophobicContact CH2-CB 4.11Å; L1450-R1560 HydrophobicContact CD1-CB 4.3Å; L1450-R1560 HydrophobicContact CD2-CG 4.17Å; L1466-R1560 HydrophobicContact CB-CG 4.37Å; L1466-R1560 WeakPolarHBondContact O-CD 3.34Å; L1466-R1560 WeakPolarHBondContact O-CG 3.3Å; L1466-R1560 PolarHBondContact O-NH1 3.03Å; D1469-R1560 VanDerWaalsContact CG-NH1 3.34Å; D1469-R1560 IonicContact OD1-CZ 3.3Å; D1469-R1560 IonicContact OD1-NH1 2.69Å; D1469-R1560 PolarHBondContact OD1-NH1 2.89Å; D1469-R1560 IonicContact OD1-NH2 2.74Å; D1469-R1560 IonicContact OD2-CZ 2.68Å; D1469-R1560 IonicContact OD2-NH1 3.09Å; D1469-R1560 PolarHBondContact OD2-NH1 2.91Å; D1469-R1560 VanDerWaalsContact OD2-NH1 3.1Å; D1469-R1560 IonicContact OD2-NH2 3.98Å; D1469-R1560 PolarHBondContact OD2-NH2 3.45Å; G1556-R1560 WeakPolarHBondContact O-CB 3.44Å; G1556-R1560 VanDerWaalsContact O-CG 3.31Å; G1556-R1560 WeakPolarHBondContact O-CG 3.4Å; G1556-R1560 PolarHBondContact O-N 2.95Å; G1556-R1560 PolarHBondContact O-NE 2.88Å; D1557-R1560 PolarHBondContact O-N 2.9Å; D1557-R1560 IonicContact OD1-CZ 3.56Å; D1557-R1560 IonicContact OD1-NE 3.82Å; D1557-R1560 PolarHBondContact OD1-NE 3.1Å; D1557-R1560 IonicContact OD1-NH2 3.29Å; D1557-R1560 PolarHBondContact OD1-NH2 2.79Å; D1557-R1560 IonicContact OD2-NH2 2.59Å; R1560-H1564 WeakPolarHBondContact O-CB 3.31Å; R1560-H1564 PolarHBondContact O-N 3.06Å
1561G81.6Confident83.6Confident35 Ų3556.5 Ų56.536%0.36130%0.301SS..Hα-helixtrans-63.1-51.2176.200000113D1557 R1558 L1559 H1564 G1565D1557-G1561 PolarHBondContact O-N 2.99Å; R1558-G1561 PolarHBondContact O-N 3.1Å; L1559-G1561 VanDerWaalsContact C-N 3.33Å; L1559-G1561 PolarHBondContact O-N 2.77Å; G1561-H1564 PolarHBondContact O-N 3.49Å; G1561-G1565 PolarHBondContact O-N 2.93Å
1562Q85.7Confident82.9Confident144 Ų14457.1 Ų57.167%0.67331%0.307SS*.Hα-helixtrans-64.6-42.7177-73.1-165.8-10.300112.3R1558 L1559 H1564 G1565 L1566R1558-Q1562 PolarHBondContact O-N 3.32Å; L1559-Q1562 PolarHBondContact O-N 2.71Å; Q1562-H1564 PolarHBondContact O-N 2.84Å; Q1562-G1565 PolarHBondContact O-N 3.29Å; Q1562-L1566 WeakPolarHBondContact O-CG 3.48Å; Q1562-L1566 PolarHBondContact O-N 3.28Å; Q1562-L1566 VanDerWaalsContact O-N 3.1Å
1563Y88.5Confident82.5Confident24 Ų2458.6 Ų58.69%0.09432%0.316CS..Hα-helixtrans-56.4-48.4175.1167.2-87.1000111.5W1446 L1450 H1451 Q1453 L1466 L1559 G1565 L1566 S1567 L1573W1446-Y1563 AromaticContact CZ2-CE1 3.85Å; W1446-Y1563 HydrophobicContact CZ2-CE1 3.85Å; W1446-Y1563 AromaticContact CZ2-CZ 3.8Å; L1450-Y1563 HydrophobicContact CD1-CD1 3.74Å; L1450-Y1563 HydrophobicContact CD1-CE1 4.1Å; L1450-Y1563 HydrophobicContact CG-CD1 4.29Å; L1450-Y1563 HydrophobicContact CG-CE1 4.23Å; H1451-Y1563 WeakPolarHBondContact O-CE1 3.39Å; H1451-Y1563 PolarHBondContact O-OH 3.27Å; Q1453-Y1563 WeakPolarHBondContact CG-OH 3.47Å; Q1453-Y1563 PolarHBondContact NE2-OH 3.33Å; L1466-Y1563 HydrophobicContact CD1-CD1 3.89Å; L1466-Y1563 HydrophobicContact CD1-CD2 3.9Å; L1466-Y1563 HydrophobicContact CD1-CE1 4.15Å; L1466-Y1563 HydrophobicContact CD1-CE2 4.16Å; L1466-Y1563 HydrophobicContact CD1-CG 3.79Å; L1466-Y1563 HydrophobicContact CD2-CD2 4.34Å; L1466-Y1563 HydrophobicContact CD2-CG 3.96Å; L1559-Y1563 VanDerWaalsContact O-CB 3.24Å; L1559-Y1563 WeakPolarHBondContact O-CB 3.39Å; L1559-Y1563 PolarHBondContact O-N 3.16Å; Y1563-G1565 VanDerWaalsContact C-N 3.26Å; Y1563-G1565 PolarHBondContact O-N 2.93Å; Y1563-L1566 PolarHBondContact O-N 2.98Å; Y1563-S1567 VanDerWaalsContact CZ-CB 3.46Å; Y1563-S1567 VanDerWaalsContact O-CB 3.23Å; Y1563-S1567 WeakPolarHBondContact O-CB 3.45Å; Y1563-S1567 PolarHBondContact O-N 3.17Å; Y1563-S1567 PolarHBondContact O-OG 3.07Å; Y1563-L1573 HydrophobicContact CD2-CD1 3.59Å; Y1563-L1573 HydrophobicContact CE2-CD1 3.9Å
1564H84.9Confident81.6Confident58 Ų5859.7 Ų59.727%0.26933%0.328SS..Hα-helixtrans-61.8-33.9179.5-174.3110.5000112.4W1449 L1450 R1560 G1561 Q1562W1449-H1564 PolarHBondContact O-CE1 2.69Å; W1449-H1564 PolarHBondContact O-ND1 3.1Å; W1449-H1564 VanDerWaalsContact O-ND1 3.13Å; L1450-H1564 HydrophobicContact CD1-CB 4.09Å; R1560-H1564 WeakPolarHBondContact O-CB 3.31Å; R1560-H1564 PolarHBondContact O-N 3.06Å; G1561-H1564 PolarHBondContact O-N 3.49Å; Q1562-H1564 PolarHBondContact O-N 2.84Å
1565G82.3Confident80.4Confident55 Ų5562.7 Ų62.757%0.56734%0.342SS*.Hα-helixtrans-66.4-41.5175.300000113.1G1561 Q1562 Y1563G1561-G1565 PolarHBondContact O-N 2.93Å; Q1562-G1565 PolarHBondContact O-N 3.29Å; Y1563-G1565 VanDerWaalsContact C-N 3.26Å; Y1563-G1565 PolarHBondContact O-N 2.93Å
1566L86Confident78.5Confident91 Ų9166.5 Ų66.548%0.47636%0.361SS..Hα-helixtrans-82.3-44.6-176.4-65.3171.8000113Q1562 Y1563 K1568 D1569 S1572 L1573Q1562-L1566 WeakPolarHBondContact O-CG 3.48Å; Q1562-L1566 PolarHBondContact O-N 3.28Å; Q1562-L1566 VanDerWaalsContact O-N 3.1Å; Y1563-L1566 PolarHBondContact O-N 2.98Å; L1566-K1568 PolarHBondContact O-N 2.62Å; L1566-D1569 PolarHBondContact O-N 3.39Å; L1566-S1572 PolarHBondContact O-OG 3.12Å; L1566-L1573 HydrophobicContact CB-CD1 4.22Å; L1566-L1573 HydrophobicContact CB-CG 4.3Å; L1566-L1573 HydrophobicContact CD1-CD2 3.94Å
1567S84.3Confident76.4Confident2 Ų269.6 Ų69.61%0.01438%0.377CS..THydrogen-bonded Turntrans-65.2-2.1-163.672.20000116.2H1451 Y1563 D1569H1451-S1567 WeakPolarHBondContact CB-OG 3.11Å; H1451-S1567 PolarHBondContact CE1-O 3.3Å; H1451-S1567 PolarHBondContact ND1-O 2.87Å; H1451-S1567 PolarHBondContact ND1-OG 3.07Å; Y1563-S1567 VanDerWaalsContact CZ-CB 3.46Å; Y1563-S1567 VanDerWaalsContact O-CB 3.23Å; Y1563-S1567 WeakPolarHBondContact O-CB 3.45Å; Y1563-S1567 PolarHBondContact O-N 3.17Å; Y1563-S1567 PolarHBondContact O-OG 3.07Å; S1567-D1569 VanDerWaalsContact C-N 3.34Å
1568K80.6Confident74.7Confident139 Ų13973.3 Ų73.360%0.60439%0.394SS*.THydrogen-bonded Turntrans-72.9-26.3175.1-64179.7-179.5179.20112.3L1566L1566-K1568 PolarHBondContact O-N 2.62Å
1569D80.8Confident73Confident77 Ų7769.1 Ų69.141%0.41239%0.389SS..SBendtrans-89.3118.2165.5172.217.2000109.3L1566 S1567 N1571 S1572L1566-D1569 PolarHBondContact O-N 3.39Å; S1567-D1569 VanDerWaalsContact C-N 3.34Å; D1569-N1571 PolarHBondContact O-N 3.5Å; D1569-N1571 WeakPolarHBondContact OD1-CB 3.49Å; D1569-N1571 PolarHBondContact OD1-N 2.86Å; D1569-N1571 PolarHBondContact OD1-ND2 3.21Å; D1569-N1571 VanDerWaalsContact OD1-ND2 3.12Å; D1569-S1572 WeakPolarHBondContact O-CB 3.36Å; D1569-S1572 PolarHBondContact O-N 3.38Å; D1569-S1572 VanDerWaalsContact O-N 3.12Å; D1569-S1572 PolarHBondContact O-OG 3.2Å; D1569-S1572 PolarHBondContact OD2-N 2.83Å
1570P71.9Confident71.2Confident83 Ų8371.3 Ų71.354%0.53940%0.401SS..THydrogen-bonded Turntrans-67.2-16.6178.928.9-36.1000113.9R1458R1458-P1570 PolarHBondContact NH1-O 3.21Å; R1458-P1570 PolarHBondContact NH2-O 3.2Å
1571N76.7Confident69.6Low124 Ų12474.3 Ų74.366%0.66342%0.417SS*.THydrogen-bonded Turntrans-85.4-18174.7-53.8-62.2000112.7D1569D1569-N1571 PolarHBondContact O-N 3.5Å; D1569-N1571 WeakPolarHBondContact OD1-CB 3.49Å; D1569-N1571 PolarHBondContact OD1-N 2.86Å; D1569-N1571 PolarHBondContact OD1-ND2 3.21Å; D1569-N1571 VanDerWaalsContact OD1-ND2 3.12Å
1572S72.9Confident68.5Low22 Ų2275.9 Ų75.915%0.15442%0.421CS..THydrogen-bonded Turntrans-65.8159.8169.380.70000111L1566 D1569 S1574L1566-S1572 PolarHBondContact O-OG 3.12Å; D1569-S1572 WeakPolarHBondContact O-CB 3.36Å; D1569-S1572 PolarHBondContact O-N 3.38Å; D1569-S1572 VanDerWaalsContact O-N 3.12Å; D1569-S1572 PolarHBondContact O-OG 3.2Å; D1569-S1572 PolarHBondContact OD2-N 2.83Å; S1572-S1574 PolarHBondContact O-N 3.39Å
1573L72.8Confident67.4Low83 Ų8374.2 Ų74.244%0.43541%0.414SS..THydrogen-bonded Turntrans54.637.6175.6-55176000113.3Y1563 L1566 N1575Y1563-L1573 HydrophobicContact CD2-CD1 3.59Å; Y1563-L1573 HydrophobicContact CE2-CD1 3.9Å; L1566-L1573 HydrophobicContact CB-CD1 4.22Å; L1566-L1573 HydrophobicContact CB-CG 4.3Å; L1566-L1573 HydrophobicContact CD1-CD2 3.94Å; L1573-N1575 PolarHBondContact O-N 2.92Å
1574S64.4Low65.9Low77 Ų7776.3 Ų76.354%0.53843%0.43SS..  trans-67.188.7173.3410000111.1S1572 L1576S1572-S1574 PolarHBondContact O-N 3.39Å; S1574-L1576 WeakPolarHBondContact O-CD1 3.21Å; S1574-L1576 PolarHBondContact O-N 3.06Å
1575N58Low64.8Low79 Ų7983.4 Ų83.442%0.42246%0.46SS..  trans-71.1106.3170-97.90.5000109.7W1461 L1573W1461-N1575 HydrophobicContact CD2-CB 3.99Å; W1461-N1575 HydrophobicContact CE3-CB 3.55Å; W1461-N1575 HydrophobicContact CH2-CB 3.71Å; W1461-N1575 VanDerWaalsContact CH2-O 3.27Å; W1461-N1575 WeakPolarHBondContact CH2-O 3.02Å; W1461-N1575 HydrophobicContact CZ2-CB 4.1Å; W1461-N1575 HydrophobicContact CZ3-CB 3.43Å; W1461-N1575 VanDerWaalsContact CZ3-CB 3.43Å; L1573-N1575 PolarHBondContact O-N 2.92Å
1576L45.8Very low64.1Low89 Ų8983.3 Ų83.347%0.46645%0.445SS..  trans-86.8109.1165.5-64.2100.8000108.9S1574 Q1578S1574-L1576 WeakPolarHBondContact O-CD1 3.21Å; S1574-L1576 PolarHBondContact O-N 3.06Å; L1576-Q1578 HydrophobicContact CB-CB 3.97Å; L1576-Q1578 HydrophobicContact CB-CG 4.14Å; L1576-Q1578 HydrophobicContact CD2-CG 4.34Å; L1576-Q1578 PolarHBondContact O-N 2.85Å
1577D42.7Very low63Low64 Ų6480.8 Ų80.834%0.34243%0.434SS..  trans-75.257.3170.8-156.1-38.1000109.9W1461 C1579 K1588W1461-D1577 HydrophobicContact CZ2-CB 4.48Å; D1577-C1579 PolarHBondContact O-N 3.32Å; D1577-C1579 VanDerWaalsContact O-N 3.09Å; D1577-K1588 IonicContact OD1-NZ 2.71Å
1578Q48.6Very low62Low92 Ų9282.3 Ų82.343%0.4344%0.44SS..THydrogen-bonded Turntrans-87.527.1-158.8-126.7178.35.300113.8L1576 N1580L1576-Q1578 HydrophobicContact CB-CB 3.97Å; L1576-Q1578 HydrophobicContact CB-CG 4.14Å; L1576-Q1578 HydrophobicContact CD2-CG 4.34Å; L1576-Q1578 PolarHBondContact O-N 2.85Å; Q1578-N1580 PolarHBondContact O-N 3.18Å
1579C48.1Very low61.3Low75 Ų7578.3 Ų78.351%0.50743%0.425SS..THydrogen-bonded Turntrans-71.9-14.5174.4-60.80000112.5D1577 N1581D1577-C1579 PolarHBondContact O-N 3.32Å; D1577-C1579 VanDerWaalsContact O-N 3.09Å; C1579-N1581 PolarHBondContact O-N 3.16Å
1580N51.7Low60.8Low85 Ų8578.4 Ų78.446%0.45542%0.423SS..SBendtrans-68124.8167.8-69.40.2000109.9Q1578 P1582 K1588Q1578-N1580 PolarHBondContact O-N 3.18Å; N1580-P1582 WeakPolarHBondContact O-CD 3.4Å; N1580-K1588 WeakPolarHBondContact OD1-CE 3.32Å; N1580-K1588 VanDerWaalsContact OD1-CG 3.27Å; N1580-K1588 WeakPolarHBondContact OD1-CG 3.4Å
1581N53.8Low60.7Low62 Ų6275.5 Ų75.533%0.33241%0.405SS..  trans-61.2115.917717226000111.1C1579 M1583 T1584C1579-N1581 PolarHBondContact O-N 3.16Å; N1581-M1583 PolarHBondContact O-N 3.37Å; N1581-M1583 PolarHBondContact OD1-N 3.01Å; N1581-M1583 VanDerWaalsContact OD1-N 3.16Å; N1581-T1584 WeakPolarHBondContact CB-OG1 3.01Å; N1581-T1584 PolarHBondContact ND2-OG1 3.3Å; N1581-T1584 PolarHBondContact O-N 2.98Å; N1581-T1584 VanDerWaalsContact O-O 3.06Å
1582P58.6Low60.5Low68 Ų6870.6 Ų70.644%0.44238%0.381SS..THydrogen-bonded Turntrans-64-15.9-177.525.8-35.1000114M1517 Y1520 N1580M1517-P1582 HydrophobicContact CE-CG 4.03Å; Y1520-P1582 HydrophobicContact CD1-CB 4.01Å; Y1520-P1582 HydrophobicContact CD1-CG 3.51Å; Y1520-P1582 HydrophobicContact CD2-CG 3.92Å; Y1520-P1582 HydrophobicContact CE1-CB 3.72Å; Y1520-P1582 HydrophobicContact CE1-CG 3.56Å; Y1520-P1582 HydrophobicContact CE2-CG 3.96Å; Y1520-P1582 HydrophobicContact CG-CG 3.7Å; N1580-P1582 WeakPolarHBondContact O-CD 3.4Å
1583M61.7Low60.6Low109 Ų10972.6 Ų72.654%0.53739%0.389SS..THydrogen-bonded Turntrans-85.1-6.6175.8-60.9-164.6-72.200114.2M1517 Y1520 N1581M1517-M1583 HydrophobicContact SD-CE 3.91Å; Y1520-M1583 HydrophobicContact CE2-CG 4.03Å; Y1520-M1583 HydrophobicContact CE2-SD 4.32Å; N1581-M1583 PolarHBondContact O-N 3.37Å; N1581-M1583 PolarHBondContact OD1-N 3.01Å; N1581-M1583 VanDerWaalsContact OD1-N 3.16Å
1584T57.6Low61Low68 Ų6876.2 Ų76.242%0.41740%0.397SS..  trans-141122.4-177.753.10000112.4N1581 E1586N1581-T1584 WeakPolarHBondContact CB-OG1 3.01Å; N1581-T1584 PolarHBondContact ND2-OG1 3.3Å; N1581-T1584 PolarHBondContact O-N 2.98Å; N1581-T1584 VanDerWaalsContact O-O 3.06Å; T1584-E1586 PolarHBondContact O-N 3.39Å
1585K62.2Low61.7Low207 Ų20777.8 Ų77.890%0.940%0.398SS*.  trans-79.434.7175.3-60.7-175179.8-179.80113.4
1586E66.8Low62.8Low54 Ų5475.4 Ų75.425%0.25239%0.385SS..  trans-72133.6178.2-167.2-175.9-144.200109.8T1584 Q1590 S1591 R1594T1584-E1586 PolarHBondContact O-N 3.39Å; E1586-Q1590 HydrophobicContact CG-CB 4.16Å; E1586-S1591 WeakPolarHBondContact CG-OG 3.44Å; E1586-S1591 WeakPolarHBondContact OE2-CB 3.25Å; E1586-S1591 PolarHBondContact OE2-OG 2.93Å; E1586-R1594 IonicContact OE1-CZ 2.71Å; E1586-R1594 IonicContact OE1-NE 2.68Å; E1586-R1594 PolarHBondContact OE1-NE 3.14Å; E1586-R1594 IonicContact OE1-NH2 2.72Å; E1586-R1594 PolarHBondContact OE1-NH2 3.15Å; E1586-R1594 IonicContact OE2-CZ 3.89Å; E1586-R1594 IonicContact OE2-NE 2.74Å; E1586-R1594 IonicContact OE2-NH2 3.15Å; E1586-R1594 PolarHBondContact OE2-NH2 3.17Å
1587P63.2Low64.5Low38 Ų3879 Ų7925%0.24740%0.4CS..  trans-68.4138.2172.4-11.725.4000111.1F1381 L1589 Q1590 S1591F1381-P1587 HydrophobicContact CD2-CG 3.73Å; F1381-P1587 HydrophobicContact CE2-CG 3.8Å; P1587-L1589 PolarHBondContact O-N 3.42Å; P1587-Q1590 PolarHBondContact O-N 2.83Å; P1587-S1591 PolarHBondContact O-N 3.49Å; P1587-S1591 PolarHBondContact O-OG 3.25Å
1588K62.7Low66.5Low34 Ų3478.3 Ų78.315%0.14839%0.394CS..Hα-helixtrans-49.9-32.9-178.4-78.5-155.4-170.4169.10114.2Y1378 D1485 D1577 N1580 S1591 A1592Y1378-K1588 HydrophobicContact CD1-CB 4.13Å; Y1378-K1588 HydrophobicContact CD1-CD 4.46Å; Y1378-K1588 HydrophobicContact CD1-CG 4.3Å; Y1378-K1588 HydrophobicContact CE1-CB 3.98Å; Y1378-K1588 HydrophobicContact CE1-CD 3.51Å; Y1378-K1588 HydrophobicContact CE1-CG 3.75Å; Y1378-K1588 WeakPolarHBondContact OH-CD 3.35Å; Y1378-K1588 WeakPolarHBondContact OH-CE 3.39Å; Y1378-K1588 PolarHBondContact OH-NZ 3.33Å; D1485-K1588 IonicContact OD2-NZ 3.9Å; D1485-K1588 PolarHBondContact OD2-NZ 2.87Å; D1577-K1588 IonicContact OD1-NZ 2.71Å; N1580-K1588 WeakPolarHBondContact OD1-CE 3.32Å; N1580-K1588 VanDerWaalsContact OD1-CG 3.27Å; N1580-K1588 WeakPolarHBondContact OD1-CG 3.4Å; K1588-S1591 PolarHBondContact O-N 3.05Å; K1588-A1592 VanDerWaalsContact O-CB 3.31Å; K1588-A1592 WeakPolarHBondContact O-CB 3.49Å; K1588-A1592 PolarHBondContact O-N 3.45Å
1589L66.1Low68.2Low55 Ų5574.3 Ų74.329%0.28838%0.375SS..Hα-helixtrans-71-38.2-179.4-162.5132.7000112.8V1391 P1587 A1592 M1593 W1599V1391-L1589 HydrophobicContact CG1-CD1 3.71Å; P1587-L1589 PolarHBondContact O-N 3.42Å; L1589-A1592 PolarHBondContact O-N 2.75Å; L1589-M1593 HydrophobicContact CD2-CE 3.71Å; L1589-M1593 HydrophobicContact CD2-SD 4.28Å; L1589-M1593 WeakPolarHBondContact O-CG 3.48Å; L1589-M1593 PolarHBondContact O-N 2.91Å; L1589-M1593 VanDerWaalsContact O-N 3.14Å; L1589-W1599 HydrophobicContact CD1-CH2 4.14Å; L1589-W1599 HydrophobicContact CD1-CZ2 4.15Å; L1589-W1599 HydrophobicContact CD2-CH2 4.22Å; L1589-W1599 HydrophobicContact CG-CH2 4.04Å; L1589-W1599 HydrophobicContact CG-CZ2 4.11Å
1590Q70.7Confident69.9Low79 Ų7978.6 Ų78.637%0.36938%0.381SS..Hα-helixtrans-68.8-42170.5-74.3177.9-22.800110.6E1586 P1587 A1592 M1593 R1594E1586-Q1590 HydrophobicContact CG-CB 4.16Å; P1587-Q1590 PolarHBondContact O-N 2.83Å; Q1590-A1592 VanDerWaalsContact C-N 3.31Å; Q1590-A1592 PolarHBondContact O-N 3.12Å; Q1590-M1593 PolarHBondContact O-N 3.26Å; Q1590-R1594 WeakPolarHBondContact O-CB 3.44Å; Q1590-R1594 PolarHBondContact O-N 2.89Å; Q1590-R1594 VanDerWaalsContact O-N 3.12Å
1591S70.4Confident71.7Confident22 Ų2279.9 Ų79.915%0.15439%0.387CS..Hα-helixtrans-57.7-42.2173.1-51.90000112.2E1586 P1587 K1588 R1594 I1595E1586-S1591 WeakPolarHBondContact CG-OG 3.44Å; E1586-S1591 WeakPolarHBondContact OE2-CB 3.25Å; E1586-S1591 PolarHBondContact OE2-OG 2.93Å; P1587-S1591 PolarHBondContact O-N 3.49Å; P1587-S1591 PolarHBondContact O-OG 3.25Å; K1588-S1591 PolarHBondContact O-N 3.05Å; S1591-R1594 PolarHBondContact O-N 2.74Å; S1591-I1595 VanDerWaalsContact O-CB 3.29Å; S1591-I1595 WeakPolarHBondContact O-CB 3.43Å; S1591-I1595 WeakPolarHBondContact O-CD1 3.41Å; S1591-I1595 WeakPolarHBondContact O-CG1 3.2Å; S1591-I1595 PolarHBondContact O-N 3.24Å
1592A71.4Confident73.3Confident21 Ų2177.8 Ų77.817%0.17438%0.375CS..Hα-helixtrans-63.8-49.9179.200000111.7K1588 L1589 Q1590 R1594 I1595 I1596 W1599K1588-A1592 VanDerWaalsContact O-CB 3.31Å; K1588-A1592 WeakPolarHBondContact O-CB 3.49Å; K1588-A1592 PolarHBondContact O-N 3.45Å; L1589-A1592 PolarHBondContact O-N 2.75Å; Q1590-A1592 VanDerWaalsContact C-N 3.31Å; Q1590-A1592 PolarHBondContact O-N 3.12Å; A1592-R1594 PolarHBondContact O-N 3.44Å; A1592-R1594 VanDerWaalsContact O-N 3.13Å; A1592-I1595 PolarHBondContact O-N 2.98Å; A1592-I1596 WeakPolarHBondContact O-CB 3.42Å; A1592-I1596 PolarHBondContact O-N 3.44Å; A1592-W1599 HydrophobicContact CB-CG 4.41Å
1593M75.1Confident74.5Confident63 Ų6375.2 Ų75.231%0.3136%0.358SS..Hα-helixtrans-58.2-23.3174.5-72.1176171.100114L1589 Q1590 W1599L1589-M1593 HydrophobicContact CD2-CE 3.71Å; L1589-M1593 HydrophobicContact CD2-SD 4.28Å; L1589-M1593 WeakPolarHBondContact O-CG 3.48Å; L1589-M1593 PolarHBondContact O-N 2.91Å; L1589-M1593 VanDerWaalsContact O-N 3.14Å; Q1590-M1593 PolarHBondContact O-N 3.26Å; M1593-W1599 HydrophobicContact CE-CE3 4.14Å; M1593-W1599 HydrophobicContact CE-CH2 4Å; M1593-W1599 HydrophobicContact CE-CZ3 3.39Å; M1593-W1599 HydrophobicContact CG-CD2 4.28Å; M1593-W1599 HydrophobicContact CG-CE3 3.63Å; M1593-W1599 HydrophobicContact CG-CZ3 3.83Å; M1593-W1599 HydrophobicContact SD-CZ3 4.48Å
1594R81.2Confident75.7Confident160 Ų16071.9 Ų71.960%0.60435%0.347SS*.Hα-helixtrans-95.4-28.6-179.4-173.5176.760.671.2-0.2113.7E1586 Q1590 S1591 A1592E1586-R1594 IonicContact OE1-CZ 2.71Å; E1586-R1594 IonicContact OE1-NE 2.68Å; E1586-R1594 PolarHBondContact OE1-NE 3.14Å; E1586-R1594 IonicContact OE1-NH2 2.72Å; E1586-R1594 PolarHBondContact OE1-NH2 3.15Å; E1586-R1594 IonicContact OE2-CZ 3.89Å; E1586-R1594 IonicContact OE2-NE 2.74Å; E1586-R1594 IonicContact OE2-NH2 3.15Å; E1586-R1594 PolarHBondContact OE2-NH2 3.17Å; Q1590-R1594 WeakPolarHBondContact O-CB 3.44Å; Q1590-R1594 PolarHBondContact O-N 2.89Å; Q1590-R1594 VanDerWaalsContact O-N 3.12Å; S1591-R1594 PolarHBondContact O-N 2.74Å; A1592-R1594 PolarHBondContact O-N 3.44Å; A1592-R1594 VanDerWaalsContact O-N 3.13Å
1595I79.6Confident77.3Confident110 Ų11071.1 Ų71.156%0.56434%0.339SS*.Hα-helixtrans-94.7-25.1-177.1-66.5166.5000111.5S1591 A1592S1591-I1595 VanDerWaalsContact O-CB 3.29Å; S1591-I1595 WeakPolarHBondContact O-CB 3.43Å; S1591-I1595 WeakPolarHBondContact O-CD1 3.41Å; S1591-I1595 WeakPolarHBondContact O-CG1 3.2Å; S1591-I1595 PolarHBondContact O-N 3.24Å; A1592-I1595 PolarHBondContact O-N 2.98Å
1596I80.5Confident78.5Confident29 Ų2961.3 Ų61.315%0.14930%0.296CS..  trans-12895.2-171.3-50.9175.8000108.4V1487 A1592 E1598 W1599V1487-I1596 HydrophobicContact CB-CD1 3.96Å; V1487-I1596 HydrophobicContact CB-CG2 4.44Å; V1487-I1596 HydrophobicContact CG1-CG2 4.19Å; V1487-I1596 HydrophobicContact CG2-CD1 3.65Å; V1487-I1596 HydrophobicContact CG2-CG2 4.4Å; A1592-I1596 WeakPolarHBondContact O-CB 3.42Å; A1592-I1596 PolarHBondContact O-N 3.44Å; I1596-E1598 VanDerWaalsContact C-N 3.34Å; I1596-E1598 PolarHBondContact O-N 2.93Å; I1596-W1599 HydrophobicContact CB-CB 4.08Å; I1596-W1599 HydrophobicContact CG2-CB 4.11Å; I1596-W1599 WeakPolarHBondContact O-CB 3.41Å; I1596-W1599 PolarHBondContact O-N 2.83Å
1597E82.1Confident79.2Confident165 Ų16562 Ų6277%0.77130%0.298SS*.THydrogen-bonded Turntrans-54.4-47.5-176.6-63.4170.5174.600112.2W1599E1597-W1599 PolarHBondContact O-N 3.15Å
1598E85.4Confident80.4Confident48 Ų4867.4 Ų67.422%0.22432%0.318CS..THydrogen-bonded Turntrans-59.6-16.2176.4-60.7151.9-11400114.7R1489 I1596 R1600 D1601 Y1602R1489-E1598 IonicContact CZ-OE1 3.2Å; R1489-E1598 IonicContact NE-OE1 3.38Å; R1489-E1598 PolarHBondContact NE-OE1 2.93Å; R1489-E1598 IonicContact NE-OE2 2.88Å; R1489-E1598 IonicContact NH2-OE1 2.72Å; R1489-E1598 PolarHBondContact NH2-OE1 3.2Å; I1596-E1598 VanDerWaalsContact C-N 3.34Å; I1596-E1598 PolarHBondContact O-N 2.93Å; E1598-R1600 PolarHBondContact O-N 3.22Å; E1598-D1601 WeakPolarHBondContact O-CB 3.5Å; E1598-D1601 PolarHBondContact O-N 3.38Å; E1598-Y1602 HydrophobicContact CB-CD2 4.03Å; E1598-Y1602 HydrophobicContact CB-CE2 3.47Å; E1598-Y1602 VanDerWaalsContact CB-CE2 3.47Å; E1598-Y1602 HydrophobicContact CG-CE2 4.35Å; E1598-Y1602 VanDerWaalsContact O-CD2 3.29Å; E1598-Y1602 WeakPolarHBondContact O-CD2 3.35Å; E1598-Y1602 PolarHBondContact O-N 3.09Å; E1598-Y1602 WeakPolarHBondContact OE2-CE2 3.38Å; E1598-Y1602 PolarHBondContact OE2-OH 3.01Å
1599W83.9Confident81.6Confident9 Ų966 Ų663%0.03431%0.312CS..Hα-helixtrans-59.3-35.6-174.7-167.6101.5000111.2I1398 L1589 A1592 M1593 I1596 E1597 D1601 Y1602 D1603I1398-W1599 HydrophobicContact CD1-CD2 4.19Å; I1398-W1599 HydrophobicContact CD1-CH2 4.07Å; I1398-W1599 HydrophobicContact CD1-CZ2 3.55Å; L1589-W1599 HydrophobicContact CD1-CH2 4.14Å; L1589-W1599 HydrophobicContact CD1-CZ2 4.15Å; L1589-W1599 HydrophobicContact CD2-CH2 4.22Å; L1589-W1599 HydrophobicContact CG-CH2 4.04Å; L1589-W1599 HydrophobicContact CG-CZ2 4.11Å; A1592-W1599 HydrophobicContact CB-CG 4.41Å; M1593-W1599 HydrophobicContact CE-CE3 4.14Å; M1593-W1599 HydrophobicContact CE-CH2 4Å; M1593-W1599 HydrophobicContact CE-CZ3 3.39Å; M1593-W1599 HydrophobicContact CG-CD2 4.28Å; M1593-W1599 HydrophobicContact CG-CE3 3.63Å; M1593-W1599 HydrophobicContact CG-CZ3 3.83Å; M1593-W1599 HydrophobicContact SD-CZ3 4.48Å; I1596-W1599 HydrophobicContact CB-CB 4.08Å; I1596-W1599 HydrophobicContact CG2-CB 4.11Å; I1596-W1599 WeakPolarHBondContact O-CB 3.41Å; I1596-W1599 PolarHBondContact O-N 2.83Å; E1597-W1599 PolarHBondContact O-N 3.15Å; W1599-D1601 VanDerWaalsContact C-N 3.34Å; W1599-Y1602 PolarHBondContact O-N 2.83Å; W1599-D1603 HydrophobicContact CE3-CB 3.81Å; W1599-D1603 HydrophobicContact CH2-CB 4.12Å; W1599-D1603 HydrophobicContact CZ3-CB 3.5Å; W1599-D1603 VanDerWaalsContact O-CB 3.24Å; W1599-D1603 WeakPolarHBondContact O-CB 3.3Å; W1599-D1603 PolarHBondContact O-N 3.35Å
1600R84.2Confident82.3Confident165 Ų16563.6 Ų63.662%0.62330%0.3SS*.Hα-helixtrans-64-37.9176.1-62.9-177.4179.7-152.5-3112.2E1598 A1604E1598-R1600 PolarHBondContact O-N 3.22Å; R1600-A1604 VanDerWaalsContact O-CB 3.28Å; R1600-A1604 WeakPolarHBondContact O-CB 3.5Å; R1600-A1604 PolarHBondContact O-N 3.2Å
1601D88.7Confident82.8Confident111 Ų11161.7 Ų61.759%0.59429%0.292SS*.Hα-helixtrans-70.9-44.5178.9-60.7-45.2000111.1E1598 W1599 A1604 E1605E1598-D1601 WeakPolarHBondContact O-CB 3.5Å; E1598-D1601 PolarHBondContact O-N 3.38Å; W1599-D1601 VanDerWaalsContact C-N 3.34Å; D1601-A1604 PolarHBondContact O-N 2.94Å; D1601-E1605 WeakPolarHBondContact O-CB 3.42Å; D1601-E1605 PolarHBondContact O-N 3.4Å
1602Y88.5Confident83.6Confident18 Ų1864.8 Ų64.87%0.07130%0.304CS..Hα-helixtrans-63.9-42.8175.5-60.8-45.3000111.9I1398 L1401 K1405 V1487 E1598 W1599 E1605 I1606I1398-Y1602 HydrophobicContact CG2-CD2 4.23Å; I1398-Y1602 HydrophobicContact CG2-CG 4.41Å; L1401-Y1602 HydrophobicContact CD2-CD1 3.87Å; L1401-Y1602 HydrophobicContact CD2-CG 4.36Å; L1401-Y1602 HydrophobicContact CG-CD1 3.96Å; K1405-Y1602 HydrophobicContact CD-CE1 4.3Å; K1405-Y1602 HydrophobicContact CG-CE1 3.99Å; V1487-Y1602 HydrophobicContact CG1-CD2 4.49Å; V1487-Y1602 HydrophobicContact CG1-CE2 4.07Å; E1598-Y1602 HydrophobicContact CB-CD2 4.03Å; E1598-Y1602 HydrophobicContact CB-CE2 3.47Å; E1598-Y1602 VanDerWaalsContact CB-CE2 3.47Å; E1598-Y1602 HydrophobicContact CG-CE2 4.35Å; E1598-Y1602 VanDerWaalsContact O-CD2 3.29Å; E1598-Y1602 WeakPolarHBondContact O-CD2 3.35Å; E1598-Y1602 PolarHBondContact O-N 3.09Å; E1598-Y1602 WeakPolarHBondContact OE2-CE2 3.38Å; E1598-Y1602 PolarHBondContact OE2-OH 3.01Å; W1599-Y1602 PolarHBondContact O-N 2.83Å; Y1602-E1605 PolarHBondContact O-N 3.35Å; Y1602-I1606 WeakPolarHBondContact O-CG1 3.4Å; Y1602-I1606 PolarHBondContact O-N 3.22Å
1603D83.7Confident84.2Confident15 Ų1564.7 Ų64.78%0.0830%0.299CS..Hα-helixtrans-60.2-47174.5176.949.3000111.8H1394 I1398 W1599 E1605 I1606 K1607H1394-D1603 IonicContact CD2-OD1 3.55Å; H1394-D1603 IonicContact CE1-OD1 3.87Å; H1394-D1603 IonicContact NE2-OD1 3.72Å; H1394-D1603 PolarHBondContact NE2-OD1 2.67Å; I1398-D1603 HydrophobicContact CD1-CB 4.16Å; W1599-D1603 HydrophobicContact CE3-CB 3.81Å; W1599-D1603 HydrophobicContact CH2-CB 4.12Å; W1599-D1603 HydrophobicContact CZ3-CB 3.5Å; W1599-D1603 VanDerWaalsContact O-CB 3.24Å; W1599-D1603 WeakPolarHBondContact O-CB 3.3Å; W1599-D1603 PolarHBondContact O-N 3.35Å; D1603-E1605 PolarHBondContact O-N 2.9Å; D1603-I1606 PolarHBondContact O-N 2.96Å; D1603-K1607 WeakPolarHBondContact O-CB 3.37Å; D1603-K1607 WeakPolarHBondContact O-CG 3.23Å; D1603-K1607 PolarHBondContact O-N 3.44Å; D1603-K1607 WeakPolarHBondContact OD1-CE 3.19Å; D1603-K1607 IonicContact OD1-NZ 2.68Å; D1603-K1607 PolarHBondContact OD1-NZ 2.93Å; D1603-K1607 WeakPolarHBondContact OD2-CE 3.49Å; D1603-K1607 IonicContact OD2-NZ 3.51Å; D1603-K1607 PolarHBondContact OD2-NZ 3.12Å
1604A86.8Confident84.4Confident39 Ų3962.6 Ų62.632%0.32229%0.289SS..Hα-helixtrans-64.9-34.9177.300000113.3R1600 D1601 K1608R1600-A1604 VanDerWaalsContact O-CB 3.28Å; R1600-A1604 WeakPolarHBondContact O-CB 3.5Å; R1600-A1604 PolarHBondContact O-N 3.2Å; D1601-A1604 PolarHBondContact O-N 2.94Å; A1604-K1608 WeakPolarHBondContact O-CB 3.49Å; A1604-K1608 WeakPolarHBondContact O-CD 3.42Å; A1604-K1608 VanDerWaalsContact O-CG 3.31Å; A1604-K1608 WeakPolarHBondContact O-CG 3.46Å; A1604-K1608 PolarHBondContact O-N 3.03Å; A1604-K1608 VanDerWaalsContact O-N 3.16Å
1605E91.1Very high84.3Confident52 Ų5264.3 Ų64.324%0.24330%0.296CS..Hα-helixtrans-71.3-38.9175.5-166.4177.7-172.900111.9L1401 K1405 D1601 Y1602 D1603 L1609L1401-E1605 HydrophobicContact CD2-CB 4.19Å; L1401-E1605 HydrophobicContact CD2-CG 4.39Å; K1405-E1605 VanDerWaalsContact CE-OE2 3.22Å; K1405-E1605 WeakPolarHBondContact CE-OE2 3.31Å; K1405-E1605 IonicContact NZ-OE1 3.53Å; K1405-E1605 PolarHBondContact NZ-OE1 3.05Å; K1405-E1605 IonicContact NZ-OE2 3.89Å; K1405-E1605 PolarHBondContact NZ-OE2 2.88Å; D1601-E1605 WeakPolarHBondContact O-CB 3.42Å; D1601-E1605 PolarHBondContact O-N 3.4Å; Y1602-E1605 PolarHBondContact O-N 3.35Å; D1603-E1605 PolarHBondContact O-N 2.9Å; E1605-L1609 WeakPolarHBondContact O-CB 3.09Å; E1605-L1609 PolarHBondContact O-N 3.48Å
1606I86Confident84.3Confident0 Ų065 Ų650%030%0.297CS..Hα-helixtrans-67.3-43.7173.7-68.1-57.1000111.7K1397 I1398 L1401 M1431 Y1602 D1603 L1609 L1610K1397-I1606 HydrophobicContact CB-CD1 3.9Å; K1397-I1606 HydrophobicContact CB-CG1 4.03Å; K1397-I1606 HydrophobicContact CB-CG2 3.99Å; K1397-I1606 HydrophobicContact CD-CG2 3.62Å; K1397-I1606 HydrophobicContact CG-CG2 4.41Å; I1398-I1606 HydrophobicContact CG1-CG1 4.43Å; L1401-I1606 HydrophobicContact CB-CD1 4.38Å; L1401-I1606 HydrophobicContact CD2-CD1 3.88Å; L1401-I1606 HydrophobicContact CD2-CG1 3.92Å; M1431-I1606 HydrophobicContact CE-CD1 3.84Å; Y1602-I1606 WeakPolarHBondContact O-CG1 3.4Å; Y1602-I1606 PolarHBondContact O-N 3.22Å; D1603-I1606 PolarHBondContact O-N 2.96Å; I1606-L1609 WeakPolarHBondContact O-CB 3.2Å; I1606-L1609 PolarHBondContact O-N 2.93Å; I1606-L1609 VanDerWaalsContact O-N 3.15Å; I1606-L1610 HydrophobicContact CG2-CD1 3.9Å; I1606-L1610 PolarHBondContact O-N 3.39Å
1607K83.3Confident83.8Confident69 Ų6970.8 Ų70.830%0.332%0.317SS..Hα-helixtrans-58.9-50.3177.6-77.4169.6172.5165.80111.9D1603 L1609 L1610 D1611D1603-K1607 WeakPolarHBondContact O-CB 3.37Å; D1603-K1607 WeakPolarHBondContact O-CG 3.23Å; D1603-K1607 PolarHBondContact O-N 3.44Å; D1603-K1607 WeakPolarHBondContact OD1-CE 3.19Å; D1603-K1607 IonicContact OD1-NZ 2.68Å; D1603-K1607 PolarHBondContact OD1-NZ 2.93Å; D1603-K1607 WeakPolarHBondContact OD2-CE 3.49Å; D1603-K1607 IonicContact OD2-NZ 3.51Å; D1603-K1607 PolarHBondContact OD2-NZ 3.12Å; K1607-L1609 PolarHBondContact O-N 3.21Å; K1607-L1610 WeakPolarHBondContact O-CB 3.27Å; K1607-L1610 PolarHBondContact O-N 2.88Å; K1607-D1611 VanDerWaalsContact O-CG 3.28Å; K1607-D1611 PolarHBondContact O-N 3.24Å
1608K87.5Confident82.8Confident151 Ų15165.9 Ų65.966%0.65731%0.31SS*.Hα-helixtrans-56.7-34.6175-74.1169.1-178.1169.70112.9A1604 E1612A1604-K1608 WeakPolarHBondContact O-CB 3.49Å; A1604-K1608 WeakPolarHBondContact O-CD 3.42Å; A1604-K1608 VanDerWaalsContact O-CG 3.31Å; A1604-K1608 WeakPolarHBondContact O-CG 3.46Å; A1604-K1608 PolarHBondContact O-N 3.03Å; A1604-K1608 VanDerWaalsContact O-N 3.16Å; K1608-E1612 PolarHBondContact O-N 3.47Å; K1608-E1612 VanDerWaalsContact O-N 3.09Å
1609L86.7Confident81.4Confident6 Ų667.8 Ų67.83%0.03132%0.321CS..Hα-helixtrans-75.3-30.4177.8-164.867.8000113.1F1427 F1430 M1431 R1434 Y1435 E1605 I1606 K1607 Y1613F1427-L1609 HydrophobicContact CE2-CG 4.39Å; F1427-L1609 HydrophobicContact CZ-CB 4.4Å; F1427-L1609 HydrophobicContact CZ-CD2 4Å; F1427-L1609 HydrophobicContact CZ-CG 4.12Å; F1430-L1609 HydrophobicContact CD1-CD1 4.27Å; F1430-L1609 HydrophobicContact CD1-CG 4.15Å; F1430-L1609 HydrophobicContact CE1-CD1 3.61Å; F1430-L1609 HydrophobicContact CE1-CG 3.85Å; F1430-L1609 HydrophobicContact CZ-CD1 4.42Å; M1431-L1609 HydrophobicContact CG-CD2 4.35Å; R1434-L1609 HydrophobicContact CB-CD1 4.29Å; R1434-L1609 HydrophobicContact CB-CD2 4.29Å; R1434-L1609 HydrophobicContact CG-CD1 3.7Å; R1434-L1609 HydrophobicContact CG-CD2 4.1Å; Y1435-L1609 HydrophobicContact CD2-CD2 4.49Å; Y1435-L1609 HydrophobicContact CE2-CD2 3.58Å; E1605-L1609 WeakPolarHBondContact O-CB 3.09Å; E1605-L1609 PolarHBondContact O-N 3.48Å; I1606-L1609 WeakPolarHBondContact O-CB 3.2Å; I1606-L1609 PolarHBondContact O-N 2.93Å; I1606-L1609 VanDerWaalsContact O-N 3.15Å; K1607-L1609 PolarHBondContact O-N 3.21Å; L1609-Y1613 WeakPolarHBondContact O-CB 3.41Å; L1609-Y1613 PolarHBondContact O-N 3.43Å; L1609-Y1613 VanDerWaalsContact O-N 3.13Å
1610L81.4Confident79.3Confident4 Ų476.4 Ų76.42%0.02136%0.362CS..Hα-helixtrans-69.8-42171.2-72.2160.2000111.1F1427 I1606 K1607 E1612 Y1613 D1614F1427-L1610 HydrophobicContact CD1-CD2 4.28Å; F1427-L1610 HydrophobicContact CD2-CD2 3.59Å; F1427-L1610 HydrophobicContact CE1-CD2 4.14Å; F1427-L1610 HydrophobicContact CE2-CD2 3.43Å; F1427-L1610 VanDerWaalsContact CE2-CD2 3.43Å; F1427-L1610 HydrophobicContact CE2-CG 3.92Å; F1427-L1610 HydrophobicContact CG-CD2 4.01Å; F1427-L1610 HydrophobicContact CZ-CD2 3.71Å; F1427-L1610 HydrophobicContact CZ-CG 3.92Å; I1606-L1610 HydrophobicContact CG2-CD1 3.9Å; I1606-L1610 PolarHBondContact O-N 3.39Å; K1607-L1610 WeakPolarHBondContact O-CB 3.27Å; K1607-L1610 PolarHBondContact O-N 2.88Å; L1610-E1612 VanDerWaalsContact C-N 3.31Å; L1610-E1612 PolarHBondContact O-N 3.31Å; L1610-Y1613 WeakPolarHBondContact O-CB 3.39Å; L1610-Y1613 PolarHBondContact O-N 3.35Å; L1610-Y1613 VanDerWaalsContact O-N 3.14Å; L1610-D1614 PolarHBondContact O-N 3.14Å
1611D82.5Confident77.4Confident38 Ų3873.6 Ų73.620%0.20335%0.351CS..Hα-helixtrans-62.9-37.5175.6-57.5-17000112.1K1607 R1615 R1621K1607-D1611 VanDerWaalsContact O-CG 3.28Å; K1607-D1611 PolarHBondContact O-N 3.24Å; D1611-R1615 WeakPolarHBondContact O-CB 3.5Å; D1611-R1615 WeakPolarHBondContact O-CD 3.37Å; D1611-R1615 WeakPolarHBondContact O-CG 3.45Å; D1611-R1615 PolarHBondContact O-N 2.76Å; D1611-R1621 IonicContact OD1-CZ 3.7Å; D1611-R1621 IonicContact OD1-NH1 2.77Å; D1611-R1621 PolarHBondContact OD1-NH1 2.8Å; D1611-R1621 IonicContact OD1-NH2 3.99Å; D1611-R1621 PolarHBondContact OD1-NH2 3.25Å
1612E87.4Confident74.8Confident87 Ų8773.1 Ų73.141%0.40736%0.356SS..Hα-helixtrans-65-40.6173.2-164.3-171.115800111.8F1430 K1608 L1610 Q1616F1430-E1612 HydrophobicContact CZ-CB 4.4Å; F1430-E1612 HydrophobicContact CZ-CG 4.18Å; K1608-E1612 PolarHBondContact O-N 3.47Å; K1608-E1612 VanDerWaalsContact O-N 3.09Å; L1610-E1612 VanDerWaalsContact C-N 3.31Å; L1610-E1612 PolarHBondContact O-N 3.31Å; E1612-Q1616 WeakPolarHBondContact O-CG 3.32Å; E1612-Q1616 PolarHBondContact O-N 3.4Å; E1612-Q1616 VanDerWaalsContact O-N 3.1Å; E1612-Q1616 PolarHBondContact OE1-NE2 2.87Å
1613Y82.9Confident72.1Confident19 Ų1976.4 Ų76.48%0.07539%0.388CS..Hα-helixtrans-65-47.4177.3175.1-99.1000112.4A1426 F1427 F1430 L1609 L1610 R1615 Q1616 R1617A1426-Y1613 VanDerWaalsContact C-OH 3.23Å; A1426-Y1613 VanDerWaalsContact CB-OH 3.31Å; A1426-Y1613 WeakPolarHBondContact CB-OH 3.17Å; A1426-Y1613 PolarHBondContact O-OH 3.44Å; F1427-Y1613 HydrophobicContact CD2-CD1 4.11Å; F1427-Y1613 HydrophobicContact CD2-CD2 4.11Å; F1427-Y1613 AromaticContact CD2-CG 3.87Å; F1427-Y1613 HydrophobicContact CD2-CG 3.87Å; F1427-Y1613 HydrophobicContact CE2-CG 4.36Å; F1430-Y1613 HydrophobicContact CB-CD2 3.85Å; F1430-Y1613 HydrophobicContact CB-CE2 4.22Å; F1430-Y1613 AromaticContact CD1-CD2 4Å; F1430-Y1613 HydrophobicContact CD1-CD2 4Å; F1430-Y1613 HydrophobicContact CD1-CG 4.42Å; F1430-Y1613 HydrophobicContact CD2-CD2 4.26Å; F1430-Y1613 AromaticContact CG-CD2 3.79Å; F1430-Y1613 HydrophobicContact CG-CD2 3.79Å; L1609-Y1613 WeakPolarHBondContact O-CB 3.41Å; L1609-Y1613 PolarHBondContact O-N 3.43Å; L1609-Y1613 VanDerWaalsContact O-N 3.13Å; L1610-Y1613 WeakPolarHBondContact O-CB 3.39Å; L1610-Y1613 PolarHBondContact O-N 3.35Å; L1610-Y1613 VanDerWaalsContact O-N 3.14Å; Y1613-R1615 PolarHBondContact O-N 2.85Å; Y1613-Q1616 PolarHBondContact O-N 2.96Å; Y1613-Q1616 VanDerWaalsContact O-N 3.16Å; Y1613-R1617 PolarHBondContact O-N 2.81Å; Y1613-R1617 VanDerWaalsContact O-N 3.16Å; Y1613-R1617 PolarHBondContact OH-NH1 3.43Å
1614D78.5Confident69.6Low20 Ų2079.2 Ų79.211%0.10741%0.408CS..Hα-helixtrans-63.3-42.4-179.9-72.4-12.9000111.7L1610 Q1616 R1617 G1618 I1619 R1621L1610-D1614 PolarHBondContact O-N 3.14Å; D1614-Q1616 VanDerWaalsContact C-N 3.33Å; D1614-Q1616 PolarHBondContact O-N 3.39Å; D1614-R1617 PolarHBondContact O-N 3.41Å; D1614-G1618 PolarHBondContact O-N 2.89Å; D1614-I1619 HydrophobicContact CB-CB 4.43Å; D1614-I1619 PolarHBondContact O-N 3.14Å; D1614-I1619 VanDerWaalsContact O-N 3.1Å; D1614-R1621 IonicContact OD2-CZ 2.64Å; D1614-R1621 IonicContact OD2-NE 4Å; D1614-R1621 PolarHBondContact OD2-NE 3.22Å; D1614-R1621 IonicContact OD2-NH2 2.74Å; D1614-R1621 PolarHBondContact OD2-NH2 2.71Å
1615R79.3Confident67.2Low195 Ų19581.3 Ų81.374%0.73641%0.414SS*.Hα-helixtrans-59.1-42173-71.9169.9-170-174.44.8111.7D1611 Y1613 R1617 G1618D1611-R1615 WeakPolarHBondContact O-CB 3.5Å; D1611-R1615 WeakPolarHBondContact O-CD 3.37Å; D1611-R1615 WeakPolarHBondContact O-CG 3.45Å; D1611-R1615 PolarHBondContact O-N 2.76Å; Y1613-R1615 PolarHBondContact O-N 2.85Å; R1615-R1617 PolarHBondContact O-N 2.67Å; R1615-G1618 PolarHBondContact O-N 2.73Å
1616Q79.5Confident64.4Low125 Ų12586.3 Ų86.358%0.58444%0.438SS*.Hα-helixtrans-66.7-19.3175.7-74.6-176.734.600113.8E1612 Y1613 D1614E1612-Q1616 WeakPolarHBondContact O-CG 3.32Å; E1612-Q1616 PolarHBondContact O-N 3.4Å; E1612-Q1616 VanDerWaalsContact O-N 3.1Å; E1612-Q1616 PolarHBondContact OE1-NE2 2.87Å; Y1613-Q1616 PolarHBondContact O-N 2.96Å; Y1613-Q1616 VanDerWaalsContact O-N 3.16Å; D1614-Q1616 VanDerWaalsContact C-N 3.33Å; D1614-Q1616 PolarHBondContact O-N 3.39Å
1617R71.6Confident61.9Low150 Ų15095 Ų9557%0.56648%0.475SS*.THydrogen-bonded Turntrans-90.3-1.6172.1-60-17095.7-177.54.8113.8Y1613 D1614 R1615 I1619Y1613-R1617 PolarHBondContact O-N 2.81Å; Y1613-R1617 VanDerWaalsContact O-N 3.16Å; Y1613-R1617 PolarHBondContact OH-NH1 3.43Å; D1614-R1617 PolarHBondContact O-N 3.41Å; R1615-R1617 PolarHBondContact O-N 2.67Å; R1617-I1619 VanDerWaalsContact C-N 3.32Å; R1617-I1619 HydrophobicContact CB-CD1 4.15Å; R1617-I1619 HydrophobicContact CB-CG1 4.11Å
1618G59.7Low59.6Low62 Ų6298.8 Ų98.864%0.63949%0.494SS*.THydrogen-bonded Turntrans72.724.2-176.200000113.6D1614 R1615 E1620D1614-G1618 PolarHBondContact O-N 2.89Å; R1615-G1618 PolarHBondContact O-N 2.73Å; G1618-E1620 PolarHBondContact O-N 3.12Å
1619I57Low57Low88 Ų8897.5 Ų97.545%0.45149%0.49SS..  trans-89.288.4175.4-55.9174.8000107.6D1614 R1617 R1621D1614-I1619 HydrophobicContact CB-CB 4.43Å; D1614-I1619 PolarHBondContact O-N 3.14Å; D1614-I1619 VanDerWaalsContact O-N 3.1Å; R1617-I1619 VanDerWaalsContact C-N 3.32Å; R1617-I1619 HydrophobicContact CB-CD1 4.15Å; R1617-I1619 HydrophobicContact CB-CG1 4.11Å; I1619-R1621 PolarHBondContact O-N 3.18Å; I1619-R1621 VanDerWaalsContact O-N 3.16Å
1620E39.6Very low54.4Low190 Ų190105.7 Ų105.789%0.88853%0.529SS*.  trans-69.9106.2170.2-69-171154.100109.3G1618 S1622G1618-E1620 PolarHBondContact O-N 3.12Å; E1620-S1622 PolarHBondContact O-N 2.97Å
1621R43.7Very low52.1Low107 Ų107114.1 Ų114.140%0.40457%0.568SS.*  trans-67.4124.8168.7-60.8-168.2-163.9144.17.6108.6D1611 D1614 I1619 A1623D1611-R1621 IonicContact OD1-CZ 3.7Å; D1611-R1621 IonicContact OD1-NH1 2.77Å; D1611-R1621 PolarHBondContact OD1-NH1 2.8Å; D1611-R1621 IonicContact OD1-NH2 3.99Å; D1611-R1621 PolarHBondContact OD1-NH2 3.25Å; D1614-R1621 IonicContact OD2-CZ 2.64Å; D1614-R1621 IonicContact OD2-NE 4Å; D1614-R1621 PolarHBondContact OD2-NE 3.22Å; D1614-R1621 IonicContact OD2-NH2 2.74Å; D1614-R1621 PolarHBondContact OD2-NH2 2.71Å; I1619-R1621 PolarHBondContact O-N 3.18Å; I1619-R1621 VanDerWaalsContact O-N 3.16Å; R1621-A1623 PolarHBondContact O-N 2.81Å; R1621-A1623 VanDerWaalsContact O-N 3.15Å
1622S34.8Very low49.7Very low100 Ų100120.8 Ų120.870%0.69960%0.598SS**  trans-66.8109.7172.349.70000109.8E1620 S1624E1620-S1622 PolarHBondContact O-N 2.97Å; S1622-S1624 PolarHBondContact O-N 3.22Å; S1622-S1624 PolarHBondContact O-OG 3.35Å
1623A31.5Very low46.9Very low88 Ų88126 Ų12673%0.72762%0.622SS**THydrogen-bonded Turntrans-7544.6-17800000113.3R1621R1621-A1623 PolarHBondContact O-N 2.81Å; R1621-A1623 VanDerWaalsContact O-N 3.15Å
1624S31.4Very low44.3Very low74 Ų74132.7 Ų132.752%0.51765%0.654SS.*THydrogen-bonded Turntrans-89.7-23.8-177.547.10000114S1622S1622-S1624 PolarHBondContact O-N 3.22Å; S1622-S1624 PolarHBondContact O-OG 3.35Å
1625N36.1Very low42.2Very low83 Ų83137.8 Ų137.844%0.44469%0.688SS.*SBendtrans-102.1-14.4-166.6-71.961.2000114.7K1627 E1628N1625-K1627 PolarHBondContact O-N 2.96Å; N1625-E1628 PolarHBondContact O-N 3.37Å
1626E32.9Very low39.8Very low157 Ų157136.6 Ų136.673%0.73469%0.691SS**THydrogen-bonded Turntrans-70.611.1178.8-64-178.6150.900113.8
1627K32.2Very low37.5Very low181 Ų181139.1 Ų139.179%0.78770%0.703SS**THydrogen-bonded Turntrans-117.1-5178.8-75.9-161.3171.6-163.90115.3N1625N1625-K1627 PolarHBondContact O-N 2.96Å
1628E34.7Very low35.6Very low150 Ų150138.3 Ų138.370%0.70172%0.717SS**THydrogen-bonded Turntrans-104.5-10.5178.4-65.8-178.5151.900112.4N1625N1625-E1628 PolarHBondContact O-N 3.37Å
1629E33.2Very low34.1Very low123 Ų123141 Ų14158%0.57573%0.726SS**SBendtrans-95.1-5.5-178.9-65.6-173.6177.300114.5S1384S1384-E1629 WeakPolarHBondContact CB-OE1 3.31Å; S1384-E1629 PolarHBondContact OG-OE1 2.89Å; S1384-E1629 PolarHBondContact OG-OE2 2.93Å
1630E33.1Very low32.9Very low179 Ų179140.7 Ų140.784%0.83675%0.745SS**SBendtrans-90.7-4.3179.2-72.3-164.8141.600114.9
1631E33.6Very low32.6Very low180 Ų180138.4 Ų138.484%0.84174%0.744SS**SBendtrans-106.2-2.1-177.6-66.5-166.6154.200115.4
1632E30.7Very low32Very low179 Ų179141.7 Ų141.784%0.83677%0.768SS**  trans-107.529.7-175.4-73.3-152.9143.800116.7
1633E29.4Very low31.8Very low195 Ų195140.9 Ų140.991%0.91177%0.768SS**  trans-127.360.6169.4-73.7-153.4149.900115.2
1634E28.4Very low31.7Very low161 Ų161143.9 Ų143.975%0.75277%0.772SS**  trans-114.6121.4155-92.8-153.1162.700112.2Q1636E1634-Q1636 PolarHBondContact O-N 3.44Å; E1634-Q1636 VanDerWaalsContact O-N 3.14Å
1635P33Very low31.8Very low127 Ų127150.3 Ų150.383%0.82579%0.79SS**  trans-85.983.3-17934-34.8000112.3
1636Q30.6Very low31.4Very low169 Ų169154.7 Ų154.779%0.7981%0.813SS**  trans-69.1137.6177-65.9-167.10.100113.1E1634E1634-Q1636 PolarHBondContact O-N 3.44Å; E1634-Q1636 VanDerWaalsContact O-N 3.14Å
1637Q29.5Very low31.4Very low178 Ų178152.3 Ų152.383%0.83281%0.814SS**  trans-79.9147.4177.9-65.7-178.4-11.600111.6S1639Q1637-S1639 PolarHBondContact O-N 3.49Å
1638P33Very low31.3Very low133 Ų133154.1 Ų154.186%0.86484%0.84SS**  trans-81.6104.6-17531.4-34.6000113
1639S28Very low31.2Very low119 Ų119154.4 Ų154.483%0.83285%0.847SS**  trans-153.9117.6163.862.40000112.2Q1637Q1637-S1639 PolarHBondContact O-N 3.49Å
1640G31.5Very low31.1Very low82 Ų82156 Ų15685%0.84586%0.862SS**  trans154.6113.3174.500000113.3
1641T33.6Very low31Very low141 Ų141154.7 Ų154.787%0.86586%0.863SS**  trans-73.6153.4179.640.90000113.7A1643T1641-A1643 PolarHBondContact O-N 3.27Å
1642L31.5Very low30.8Very low176 Ų176153.2 Ų153.292%0.92186%0.864SS**  trans-58.9125169.7-80.272000112
1643A29.6Very low30.8Very low84 Ų84151.6 Ų151.669%0.69487%0.866SS**  trans-159.2163.8149.900000109.3T1641T1641-A1643 PolarHBondContact O-N 3.27Å
1644D29.3Very low30.9Very low151 Ų151148.7 Ų148.781%0.80786%0.863SS**  trans53.884.1163.6-59.8-12.7000119.2
1645K33.7Very low31.1Very low208 Ų208147.9 Ų147.990%0.90487%0.871SS**  -166.481124.6-104.4157.8-170.81750113.9
1646L28.9Very low30.9Very low175 Ų175149.5 Ų149.592%0.91688%0.875SS**  trans-89.7103.5152.4-91.7162000108
1647S31.6Very low31Very low108 Ų108147.8 Ų147.876%0.75588%0.882SS**  trans168.272156.338.50000114
1648T31.3Very low31.1Very low219 Ų219145.1 Ų145.1100%1.34489%0.886SS**  trans-156.20144.7-18.80000109.9

Retrieved 1,648 of 1,648 residues in 1230.9 ms (Link to these results)

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