A0A087XN20_POEFO Loading...

Polynucleotide 5'-hydroxyl-kinase NOL9

AlphaFold DB , UniProt , Accession A0A087XN20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 553 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M90.1Very high92.1Very high46 Ų4651.8 Ų51.823%0.22726%0.262CS..  0136.50-64.3176.273.700108.6Q5 L7 L49 A51 S90 S91 I93M1-Q5 HydrophobicContact CB-CB 4.44Å; M1-Q5 VanDerWaalsContact CE-O 3.3Å; M1-Q5 WeakPolarHBondContact CE-O 3.44Å; M1-L7 HydrophobicContact CE-CB 4.08Å; M1-L49 HydrophobicContact CE-CB 4.45Å; M1-A51 HydrophobicContact CB-CB 3.63Å; M1-A51 HydrophobicContact CE-CB 4.43Å; M1-S90 CarbonylContact O-C 3.59Å; M1-S90 VanDerWaalsContact O-CA 3.29Å; M1-S90 WeakPolarHBondContact O-CA 3.37Å; M1-S91 PolarHBondContact N-O 2.95Å; M1-S91 PolarHBondContact O-N 2.77Å; M1-I93 HydrophobicContact SD-CD1 3.56Å; M1-I93 VanDerWaalsContact SD-CD1 3.56Å; M1-I93 HydrophobicContact SD-CG1 4.18Å
2Q89.8Confident92.4Very high76 Ų7650.8 Ų50.836%0.35526%0.255SS..  trans-83.2162.8173.1-63.8-62.4-36.400110.7N4 Q5 A51 K85 T87 S90Q2-N4 PolarHBondContact O-N 3.47Å; Q2-Q5 HydrophobicContact CB-CB 4.48Å; Q2-Q5 WeakPolarHBondContact O-CB 3.47Å; Q2-Q5 PolarHBondContact O-N 3.01Å; Q2-A51 VanDerWaalsContact O-CB 3.28Å; Q2-A51 WeakPolarHBondContact O-CB 3.08Å; Q2-K85 PolarHBondContact NE2-O 3.15Å; Q2-T87 PolarHBondContact OE1-OG1 2.69Å; Q2-S90 PolarHBondContact NE2-OG 2.72Å; Q2-S90 VanDerWaalsContact NE2-OG 3.16Å; Q2-S90 PolarHBondContact OE1-OG 2.95Å; Q2-S90 VanDerWaalsContact OE1-OG 3.11Å
3K88.6Confident92.8Very high107 Ų10746.8 Ų46.847%0.46524%0.235SC..THydrogen-bonded Turntrans-49.3133.2177.2-172176.7178.9177.50112.3Q5 T89K3-Q5 PolarHBondContact O-N 2.68Å; K3-T89 HydrophobicContact CD-CG2 4.32Å; K3-T89 PolarHBondContact N-O 2.92Å
4N88.9Confident93.2Very high110 Ų11046.9 Ų46.959%0.58824%0.236SC*.THydrogen-bonded Turntrans62.22.2-177.2-55.9-27.8000115Q2 T6 A51Q2-N4 PolarHBondContact O-N 3.47Å; N4-T6 PolarHBondContact O-N 3.44Å; N4-A51 WeakPolarHBondContact CA-O 3.42Å; N4-A51 PolarHBondContact N-O 3.36Å
5Q91.4Very high93.5Very high99 Ų9943.8 Ų43.846%0.46322%0.22SC..  trans-64.8136.7170.3-170.4178.113.100108.6M1 Q2 K3 A51M1-Q5 HydrophobicContact CB-CB 4.44Å; M1-Q5 VanDerWaalsContact CE-O 3.3Å; M1-Q5 WeakPolarHBondContact CE-O 3.44Å; Q2-Q5 HydrophobicContact CB-CB 4.48Å; Q2-Q5 WeakPolarHBondContact O-CB 3.47Å; Q2-Q5 PolarHBondContact O-N 3.01Å; K3-Q5 PolarHBondContact O-N 2.68Å; Q5-A51 PolarHBondContact O-N 3.26Å
6T92.3Very high93.7Very high81 Ų8141.9 Ų41.950%0.49721%0.211SC..EExtended strand (participates in β ladder)trans-114.5150.8178.654.20000111.3N4 T48 L49 R50N4-T6 PolarHBondContact O-N 3.44Å; T6-T48 HydrophobicContact CG2-CG2 3.91Å; T6-L49 CarbonylContact C-O 3.54Å; T6-L49 WeakPolarHBondContact CA-O 3.27Å; T6-R50 HydrophobicContact CG2-CB 4.15Å; T6-R50 HydrophobicContact CG2-CG 4.08Å
7L93.2Very high93.8Very high30 Ų3039.5 Ų39.516%0.15720%0.2CC..EExtended strand (participates in β ladder)trans-12599.9165.9173.263000107.1M1 F9 T48 L49 L95 L132 P139M1-L7 HydrophobicContact CE-CB 4.08Å; L7-F9 HydrophobicContact CG-CD1 4.37Å; L7-T48 WeakPolarHBondContact O-CA 3.4Å; L7-L49 HydrophobicContact CB-CB 4.33Å; L7-L49 HydrophobicContact CD2-CD1 4.37Å; L7-L49 PolarHBondContact N-O 2.89Å; L7-L49 PolarHBondContact O-N 3.39Å; L7-L95 HydrophobicContact CD2-CD1 4.18Å; L7-L132 HydrophobicContact CD1-CD1 4.45Å; L7-P139 HydrophobicContact CD1-CB 4.01Å; L7-P139 HydrophobicContact CD1-CG 4.31Å
8C94.1Very high93.8Very high12 Ų1238 Ų388%0.08119%0.192CC..EExtended strand (participates in β ladder)trans-88.2131.4170.7-171.40000108.3L47 L140C8-L47 WeakPolarHBondContact CA-O 3.47Å; C8-L140 PolarHBondContact O-N 3.33Å
9F94.4Very high93.6Very high0 Ų036.1 Ų36.10%018%0.182CC..EExtended strand (participates in β ladder)trans-152.3161-173.171.8-80.9000113.5L7 L38 S40 P46 L47 L49 V137 I138L7-F9 HydrophobicContact CG-CD1 4.37Å; F9-L38 HydrophobicContact CE1-CD1 4.26Å; F9-L38 HydrophobicContact CZ-CB 4.06Å; F9-L38 HydrophobicContact CZ-CD1 3.81Å; F9-S40 WeakPolarHBondContact O-CB 3.34Å; F9-S40 PolarHBondContact O-OG 3.03Å; F9-P46 WeakPolarHBondContact O-CB 3.33Å; F9-L47 HydrophobicContact CE1-CB 3.94Å; F9-L47 HydrophobicContact CZ-CB 4.14Å; F9-L47 HydrophobicContact CZ-CD1 4.47Å; F9-L47 PolarHBondContact N-O 2.9Å; F9-L47 PolarHBondContact O-N 3.24Å; F9-L49 HydrophobicContact CE1-CD1 4.1Å; F9-L49 HydrophobicContact CE1-CG 4.29Å; F9-V137 HydrophobicContact CB-CG1 3.81Å; F9-V137 HydrophobicContact CD2-CB 4.41Å; F9-V137 HydrophobicContact CD2-CG1 3.76Å; F9-V137 HydrophobicContact CD2-CG2 4.35Å; F9-V137 HydrophobicContact CE2-CG2 4.41Å; F9-V137 HydrophobicContact CG-CG1 3.85Å; F9-I138 CarbonylContact C-O 3.59Å; F9-I138 VanDerWaalsContact CA-O 3.27Å; F9-I138 WeakPolarHBondContact CA-O 3.46Å; F9-I138 WeakPolarHBondContact CB-O 3.39Å
10R94.4Very high93.5Very high6 Ų634.4 Ų34.42%0.02318%0.175CC..EExtended strand (participates in β ladder)trans-106.9153.3162.3-67-64.8-171.5-178.33.7110S40 P41 H44 P118 E122 I138 L140R10-S40 WeakPolarHBondContact CA-O 3.43Å; R10-P41 PolarHBondContact NH1-O 2.98Å; R10-H44 PolarHBondContact NH1-O 3.05Å; R10-H44 PolarHBondContact NH2-O 3.43Å; R10-H44 VanDerWaalsContact NH2-O 3.08Å; R10-P118 HydrophobicContact CB-CG 4.15Å; R10-P118 HydrophobicContact CG-CB 4.23Å; R10-P118 HydrophobicContact CG-CG 4.3Å; R10-E122 IonicContact CZ-OE1 3.58Å; R10-E122 IonicContact CZ-OE2 2.74Å; R10-E122 IonicContact NE-OE1 3.93Å; R10-E122 IonicContact NE-OE2 2.71Å; R10-E122 PolarHBondContact NE-OE2 2.85Å; R10-E122 IonicContact NH2-OE1 3.79Å; R10-E122 PolarHBondContact NH2-OE1 2.52Å; R10-E122 IonicContact NH2-OE2 3.53Å; R10-E122 PolarHBondContact NH2-OE2 3.48Å; R10-I138 HydrophobicContact CB-CB 4.48Å; R10-I138 PolarHBondContact N-O 3.26Å; R10-I138 PolarHBondContact O-N 3.45Å; R10-L140 HydrophobicContact CG-CD1 4.13Å; R10-L140 HydrophobicContact CG-CD2 4.23Å; R10-L140 HydrophobicContact CG-CG 4.43Å
11G95.4Very high93.5Very high3 Ų335.7 Ų35.73%0.03118%0.177CC..EExtended strand (participates in β ladder)trans120.7-156.2175.400000114.1S40 F116 G136G11-S40 PolarHBondContact N-O 3.24Å; G11-S40 CarbonylContact O-C 3.58Å; G11-S40 WeakPolarHBondContact O-CA 3.14Å; G11-S40 PolarHBondContact O-N 2.8Å; G11-F116 VanDerWaalsContact CA-O 3.23Å; G11-F116 WeakPolarHBondContact CA-O 3.38Å; G11-F116 PolarHBondContact N-O 2.93Å; G11-G136 CarbonylContact C-O 3.48Å; G11-G136 WeakPolarHBondContact CA-O 3.22Å
12K96.5Very high93.8Very high39 Ų3933.5 Ų33.517%0.1717%0.167CC..EExtended strand (participates in β ladder)trans-144.6134-176.460.6178.1-175.2174.50110L38 F39 L98 T103 F116 G136K12-L38 WeakPolarHBondContact CA-O 3.4Å; K12-F39 HydrophobicContact CB-CD1 4.32Å; K12-L98 HydrophobicContact CB-CB 4.41Å; K12-L98 HydrophobicContact CB-CD2 4.29Å; K12-L98 WeakPolarHBondContact CD-O 3.45Å; K12-L98 WeakPolarHBondContact CE-O 3.29Å; K12-L98 HydrophobicContact CG-CB 4.46Å; K12-L98 PolarHBondContact NZ-O 2.73Å; K12-T103 HydrophobicContact CD-CG2 3.65Å; K12-T103 PolarHBondContact NZ-OG1 3.45Å; K12-F116 HydrophobicContact CB-CD1 4.07Å; K12-F116 HydrophobicContact CB-CE1 4.3Å; K12-F116 HydrophobicContact CD-CD2 4.34Å; K12-F116 HydrophobicContact CD-CG 4.38Å; K12-G136 PolarHBondContact N-O 2.94Å
13C97.6Very high94.1Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-157.8166.1178.361.80000111.3L38 D96 V137C13-L38 PolarHBondContact N-O 3.09Å; C13-L38 VanDerWaalsContact N-O 3.17Å; C13-L38 PolarHBondContact O-N 3.2Å; C13-D96 WeakPolarHBondContact CA-O 3.48Å; C13-D96 WeakPolarHBondContact CB-O 3.46Å; C13-V137 HydrophobicContact CB-CG2 3.48Å; C13-V137 VanDerWaalsContact CB-CG2 3.48Å; C13-V137 VanDerWaalsContact SG-CG2 3.53Å
14I97.8Very high94.4Very high48 Ų4826.8 Ų26.825%0.24614%0.137CC..EExtended strand (participates in β ladder)trans-97.4131.5165.8-61.2172.2000107.2S35 Y36 L95 D96 L98I14-S35 VanDerWaalsContact CG2-CB 3.4Å; I14-Y36 CarbonylContact C-O 3.58Å; I14-Y36 WeakPolarHBondContact CA-O 3.36Å; I14-L95 CarbonylContact O-C 3.58Å; I14-L95 VanDerWaalsContact O-CA 3.31Å; I14-L95 WeakPolarHBondContact O-CA 3.34Å; I14-D96 HydrophobicContact CB-CB 4.2Å; I14-D96 PolarHBondContact N-O 2.91Å; I14-D96 PolarHBondContact O-N 3.07Å; I14-L98 HydrophobicContact CD1-CD1 4Å; I14-L98 HydrophobicContact CG1-CB 4.19Å; I14-L98 HydrophobicContact CG1-CD1 3.71Å; I14-L98 HydrophobicContact CG1-CG 4.43Å
15V97.6Very high94.6Very high0 Ų022.6 Ų22.60%011%0.114CC..EExtended strand (participates in β ladder)trans-107.8135.1173.567.30000110.5I29 S35 Y36 L38 L49 I93 L94 L95V15-I29 HydrophobicContact CG1-CD1 3.51Å; V15-S35 CarbonylContact O-C 3.59Å; V15-S35 WeakPolarHBondContact O-CA 3.27Å; V15-Y36 PolarHBondContact N-O 3.07Å; V15-Y36 PolarHBondContact O-N 3.34Å; V15-L38 HydrophobicContact CB-CD1 3.86Å; V15-L38 HydrophobicContact CB-CG 4.22Å; V15-L38 HydrophobicContact CG1-CD1 3.68Å; V15-L38 HydrophobicContact CG1-CD2 3.86Å; V15-L38 HydrophobicContact CG1-CG 3.7Å; V15-L49 HydrophobicContact CG2-CD1 4.41Å; V15-L49 HydrophobicContact CG2-CD2 4.38Å; V15-I93 HydrophobicContact CG2-CB 4.36Å; V15-I93 HydrophobicContact CG2-CG2 4.46Å; V15-L94 WeakPolarHBondContact CA-O 3.49Å; V15-L95 HydrophobicContact CB-CD2 3.97Å; V15-L95 HydrophobicContact CG2-CD2 3.87Å
16T97.2Very high94.7Very high13 Ų1318.3 Ų18.38%0.0810%0.096CC..EExtended strand (participates in β ladder)trans-125.5128.9169.3-48.80000108.7L18 S35 I93 L94T16-L18 HydrophobicContact CG2-CD2 4.02Å; T16-L18 PolarHBondContact O-N 3.37Å; T16-S35 VanDerWaalsContact OG1-CB 3.26Å; T16-S35 WeakPolarHBondContact OG1-CB 3.23Å; T16-S35 PolarHBondContact OG1-OG 3.46Å; T16-I93 CarbonylContact O-C 3.56Å; T16-I93 VanDerWaalsContact O-CA 3.27Å; T16-I93 WeakPolarHBondContact O-CA 3.44Å; T16-L94 PolarHBondContact N-O 3.37Å; T16-L94 PolarHBondContact O-N 2.95Å
17C95.5Very high95Very high2 Ų214.9 Ų14.91%0.0147%0.074CC..EExtended strand (participates in β ladder)trans-85.1105.4171.1-1660000109G20 V22 I29C17-G20 PolarHBondContact SG-O 3.39Å; C17-G20 VanDerWaalsContact SG-O 3.39Å; C17-V22 HydrophobicContact CB-CG2 4.4Å; C17-I29 HydrophobicContact CB-CB 4.36Å; C17-I29 HydrophobicContact CB-CG2 3.7Å
18L92.8Very high95.2Very high12 Ų1214.6 Ų14.66%0.0637%0.074CC..EExtended strand (participates in β ladder)trans-81.1-30.7178.9-62.7-173.9000112T16 I68 Y72 I92 L94T16-L18 HydrophobicContact CG2-CD2 4.02Å; T16-L18 PolarHBondContact O-N 3.37Å; L18-I68 HydrophobicContact CB-CG2 4.07Å; L18-I68 VanDerWaalsContact O-CD1 3.29Å; L18-I68 WeakPolarHBondContact O-CD1 3.46Å; L18-Y72 HydrophobicContact CD1-CD2 3.97Å; L18-Y72 HydrophobicContact CD1-CE2 4.34Å; L18-Y72 HydrophobicContact CD1-CG 4.12Å; L18-Y72 HydrophobicContact CD2-CD1 4.48Å; L18-Y72 HydrophobicContact CD2-CD2 4.06Å; L18-Y72 HydrophobicContact CD2-CE1 4.01Å; L18-Y72 HydrophobicContact CD2-CE2 3.57Å; L18-Y72 HydrophobicContact CD2-CG 4.49Å; L18-I92 HydrophobicContact CB-CB 4.32Å; L18-I92 HydrophobicContact CB-CG2 4.14Å; L18-I92 HydrophobicContact CD1-CG2 4.24Å; L18-I92 PolarHBondContact N-O 2.99Å; L18-L94 HydrophobicContact CD1-CB 3.97Å; L18-L94 HydrophobicContact CD2-CB 4.33Å; L18-L94 HydrophobicContact CG-CB 4.02Å
19Y91Very high95.3Very high1 Ų114 Ų140%0.0047%0.07CC..EExtended strand (participates in β ladder)trans-152.5139.7-179.4-177.4-97.9000110.8E31 D61 E64 A65 I68 V86 S91 I92Y19-E31 WeakPolarHBondContact CA-OE2 3.27Å; Y19-E31 WeakPolarHBondContact CD2-OE2 3.12Å; Y19-D61 WeakPolarHBondContact OH-CA 3.02Å; Y19-D61 WeakPolarHBondContact OH-CB 3.14Å; Y19-D61 VanDerWaalsContact OH-CG 3.23Å; Y19-D61 PolarHBondContact OH-OD1 3.42Å; Y19-E64 HydrophobicContact CE2-CB 4.49Å; Y19-E64 HydrophobicContact CE2-CG 4.36Å; Y19-A65 HydrophobicContact CD2-CB 4.2Å; Y19-A65 HydrophobicContact CE2-CB 4.45Å; Y19-A65 HydrophobicContact CG-CB 4.29Å; Y19-I68 HydrophobicContact CD2-CD1 4.21Å; Y19-V86 HydrophobicContact CE1-CG1 4.27Å; Y19-S91 CarbonylContact O-C 3.46Å; Y19-S91 WeakPolarHBondContact O-CA 3.29Å; Y19-S91 WeakPolarHBondContact O-CB 3.46Å; Y19-I92 HydrophobicContact CD1-CG1 4.44Å; Y19-I92 HydrophobicContact CG-CD1 4.45Å; Y19-I92 PolarHBondContact N-O 3.1Å; Y19-I92 VanDerWaalsContact N-O 3.13Å; Y19-I92 PolarHBondContact O-N 2.9Å
20G91.3Very high95.3Very high3 Ų316.5 Ų16.53%0.0318%0.083CC..SBendtrans73.5-139.6179.700000112.1C17 E31C17-G20 PolarHBondContact SG-O 3.39Å; C17-G20 VanDerWaalsContact SG-O 3.39Å; G20-E31 PolarHBondContact N-OE2 3.11Å; G20-E31 PolarHBondContact O-N 3.28Å; G20-E31 VanDerWaalsContact O-N 3.09Å
21R93.5Very high95.1Very high62 Ų6218.9 Ų18.923%0.23410%0.095CC..EExtended strand (participates in β ladder)trans-148.4135.9-172.7-55.2-171.6-69.4-167.5-1.9112.6T28 I29 D30 L52 G53 S91R21-T28 HydrophobicContact CB-CG2 4.22Å; R21-I29 WeakPolarHBondContact CA-O 3.19Å; R21-D30 WeakPolarHBondContact CD-OD1 3.36Å; R21-D30 WeakPolarHBondContact CG-OD1 3.05Å; R21-L52 HydrophobicContact CB-CB 4.2Å; R21-L52 PolarHBondContact O-N 3.03Å; R21-G53 PolarHBondContact NH2-O 3.3Å; R21-S91 PolarHBondContact N-OG 3.2Å; R21-S91 PolarHBondContact O-OG 2.79Å
22V95.9Very high94.7Very high0 Ų022.4 Ų22.40%013%0.131CC..EExtended strand (participates in β ladder)trans-125.7149.2172.8-62.10000111C17 I29 L49 R50 I93C17-V22 HydrophobicContact CB-CG2 4.4Å; V22-I29 HydrophobicContact CG2-CB 3.94Å; V22-I29 HydrophobicContact CG2-CD1 4.46Å; V22-I29 PolarHBondContact N-O 3.45Å; V22-I29 PolarHBondContact O-N 2.83Å; V22-L49 HydrophobicContact CG2-CD2 4.39Å; V22-R50 CarbonylContact C-O 3.58Å; V22-R50 WeakPolarHBondContact CA-O 2.76Å; V22-I93 HydrophobicContact CB-CG2 4.36Å; V22-I93 HydrophobicContact CG1-CG2 3.5Å; V22-I93 HydrophobicContact CG2-CG2 3.97Å
23E95.8Very high94.5Very high41 Ų4123.5 Ų23.519%0.19214%0.137CC..EExtended strand (participates in β ladder)trans-115.4140178.2-176.2-153.9-134.200110.4F27 R50 L52E23-F27 CarbonylContact C-O 3.42Å; E23-F27 VanDerWaalsContact CA-O 3.23Å; E23-F27 WeakPolarHBondContact CA-O 3.45Å; E23-F27 WeakPolarHBondContact CG-O 3.13Å; E23-R50 VanDerWaalsContact CD-NH2 3.28Å; E23-R50 PolarHBondContact N-O 3.49Å; E23-R50 PolarHBondContact O-N 3.05Å; E23-R50 IonicContact OE1-NH2 3.73Å; E23-R50 PolarHBondContact OE1-NH2 3.06Å; E23-R50 VanDerWaalsContact OE1-NH2 3.16Å; E23-R50 IonicContact OE2-CZ 2.73Å; E23-R50 IonicContact OE2-NE 2.94Å; E23-R50 PolarHBondContact OE2-NE 3.13Å; E23-R50 IonicContact OE2-NH2 3.96Å; E23-R50 PolarHBondContact OE2-NH2 3.17Å; E23-L52 HydrophobicContact CB-CD1 3.99Å; E23-L52 HydrophobicContact CB-CD2 3.96Å; E23-L52 HydrophobicContact CB-CG 3.97Å
24V95.6Very high94.4Very high0 Ų028.6 Ų28.60%016%0.159CC..EExtended strand (participates in β ladder)trans-140.5126.4170.951.40000109.2G26 F27 I29 L38 L49 L230V24-G26 PolarHBondContact O-N 3.24Å; V24-F27 PolarHBondContact N-O 3.01Å; V24-F27 PolarHBondContact O-N 3.2Å; V24-I29 HydrophobicContact CG1-CD1 3.96Å; V24-I29 HydrophobicContact CG1-CG1 4.47Å; V24-L38 HydrophobicContact CG1-CD2 4.26Å; V24-L38 HydrophobicContact CG2-CD2 4.37Å; V24-L49 HydrophobicContact CB-CD2 3.95Å; V24-L49 HydrophobicContact CG1-CD2 4.28Å; V24-L230 HydrophobicContact CB-CD2 4.48Å; V24-L230 HydrophobicContact CG1-CD1 3.92Å; V24-L230 HydrophobicContact CG1-CD2 3.69Å; V24-L230 HydrophobicContact CG1-CG 4.41Å; V24-L230 HydrophobicContact CG2-CD2 4.24Å
25M93.6Very high94.4Very high23 Ų2329.1 Ų29.111%0.11317%0.167CC..THydrogen-bonded Turntrans48.736.6179.7-65.2-171.264.700114.9F27 L47 L147 R189 N193 L230M25-F27 VanDerWaalsContact C-N 3.31Å; M25-F27 PolarHBondContact O-N 2.94Å; M25-L47 HydrophobicContact CG-CD2 3.8Å; M25-L47 HydrophobicContact SD-CD2 3.37Å; M25-L47 WeakPolarHBondContact SD-CD2 3.43Å; M25-L147 HydrophobicContact CE-CD2 4.11Å; M25-L147 HydrophobicContact CG-CD2 4.14Å; M25-R189 HydrophobicContact CE-CB 4.12Å; M25-N193 VanDerWaalsContact O-CB 3.22Å; M25-N193 WeakPolarHBondContact O-CB 3.42Å; M25-N193 PolarHBondContact O-ND2 3.23Å; M25-N193 VanDerWaalsContact O-ND2 3.09Å; M25-L230 HydrophobicContact CB-CD2 4.5Å
26G94.3Very high94.4Very high8 Ų830.1 Ų30.18%0.08217%0.171CC..THydrogen-bonded Turntrans83.9-7.9-179.700000115.4V24 T194 N197V24-G26 PolarHBondContact O-N 3.24Å; G26-T194 WeakPolarHBondContact O-CA 3.33Å; G26-N197 PolarHBondContact O-ND2 3.49Å
27F97.1Very high94.4Very high9 Ų932.3 Ų32.34%0.03919%0.185CC..EExtended strand (participates in β ladder)trans-88.3138171.3-172.8-109.5000110.1E23 V24 M25 I29 Y36 N193 L196 N197 P228 L230E23-F27 CarbonylContact C-O 3.42Å; E23-F27 VanDerWaalsContact CA-O 3.23Å; E23-F27 WeakPolarHBondContact CA-O 3.45Å; E23-F27 WeakPolarHBondContact CG-O 3.13Å; V24-F27 PolarHBondContact N-O 3.01Å; V24-F27 PolarHBondContact O-N 3.2Å; M25-F27 VanDerWaalsContact C-N 3.31Å; M25-F27 PolarHBondContact O-N 2.94Å; F27-I29 HydrophobicContact CD1-CG1 3.79Å; F27-I29 HydrophobicContact CE1-CG1 3.9Å; F27-Y36 HydrophobicContact CE1-CE1 4.12Å; F27-Y36 HydrophobicContact CE1-CE2 4.07Å; F27-Y36 AromaticContact CE1-CZ 3.81Å; F27-Y36 HydrophobicContact CZ-CE1 4.44Å; F27-N193 HydrophobicContact CB-CB 3.91Å; F27-N193 WeakPolarHBondContact CD2-O 3.34Å; F27-L196 HydrophobicContact CD2-CB 4.28Å; F27-L196 HydrophobicContact CE2-CB 4.16Å; F27-N197 VanDerWaalsContact CD2-OD1 3.31Å; F27-N197 WeakPolarHBondContact CD2-OD1 3.04Å; F27-P228 HydrophobicContact CB-CB 4.01Å; F27-P228 HydrophobicContact CD1-CB 3.8Å; F27-P228 HydrophobicContact CD1-CG 3.79Å; F27-P228 HydrophobicContact CD2-CB 3.75Å; F27-P228 HydrophobicContact CD2-CG 4.29Å; F27-P228 HydrophobicContact CE1-CB 4.19Å; F27-P228 HydrophobicContact CE1-CG 3.76Å; F27-P228 HydrophobicContact CE2-CB 4.14Å; F27-P228 HydrophobicContact CE2-CG 4.26Å; F27-P228 HydrophobicContact CG-CB 3.56Å; F27-P228 HydrophobicContact CG-CG 4.07Å; F27-P228 HydrophobicContact CZ-CB 4.35Å; F27-P228 HydrophobicContact CZ-CG 4Å; F27-L230 HydrophobicContact CB-CD2 4.26Å
28T97Very high94.5Very high24 Ų2432.2 Ų32.215%0.14719%0.185CC..EExtended strand (participates in β ladder)trans-102121.6175.9-570000109.4R21 L52 N197R21-T28 HydrophobicContact CB-CG2 4.22Å; T28-L52 HydrophobicContact CG2-CD1 3.92Å; T28-N197 PolarHBondContact N-OD1 2.72Å
29I96.8Very high94.8Very high0 Ų032.3 Ų32.30%019%0.185CC..EExtended strand (participates in β ladder)trans-96.8107.6172.1-50.4176.6000107.1V15 C17 R21 V22 V24 F27 Y36V15-I29 HydrophobicContact CG1-CD1 3.51Å; C17-I29 HydrophobicContact CB-CB 4.36Å; C17-I29 HydrophobicContact CB-CG2 3.7Å; R21-I29 WeakPolarHBondContact CA-O 3.19Å; V22-I29 HydrophobicContact CG2-CB 3.94Å; V22-I29 HydrophobicContact CG2-CD1 4.46Å; V22-I29 PolarHBondContact N-O 3.45Å; V22-I29 PolarHBondContact O-N 2.83Å; V24-I29 HydrophobicContact CG1-CD1 3.96Å; V24-I29 HydrophobicContact CG1-CG1 4.47Å; F27-I29 HydrophobicContact CD1-CG1 3.79Å; F27-I29 HydrophobicContact CE1-CG1 3.9Å; I29-Y36 HydrophobicContact CD1-CD2 3.94Å; I29-Y36 HydrophobicContact CD1-CG 4.41Å; I29-Y36 HydrophobicContact CG1-CD2 4.1Å; I29-Y36 HydrophobicContact CG1-CE2 4.4Å; I29-Y36 HydrophobicContact CG2-CD2 3.95Å; I29-Y36 HydrophobicContact CG2-CE2 4.01Å
30D93.8Very high95Very high52 Ų5232.3 Ų32.328%0.27819%0.185SC..EExtended strand (participates in β ladder)trans-88.7158.3177.9-65.4-66.6000111.6R21 G32 Q33R21-D30 WeakPolarHBondContact CD-OD1 3.36Å; R21-D30 WeakPolarHBondContact CG-OD1 3.05Å; D30-G32 PolarHBondContact O-N 3.04Å; D30-Q33 HydrophobicContact CB-CG 4.16Å; D30-Q33 WeakPolarHBondContact O-CB 3.2Å; D30-Q33 PolarHBondContact O-N 3.11Å; D30-Q33 PolarHBondContact OD2-NE2 3.44Å
31E90.9Very high95.1Very high56 Ų5632.2 Ų32.226%0.26218%0.183SC..THydrogen-bonded Turntrans-51.8136.2167.2-178.9178.6151.400112.1Y19 G20 Q33 I68Y19-E31 WeakPolarHBondContact CA-OE2 3.27Å; Y19-E31 WeakPolarHBondContact CD2-OE2 3.12Å; G20-E31 PolarHBondContact N-OE2 3.11Å; G20-E31 PolarHBondContact O-N 3.28Å; G20-E31 VanDerWaalsContact O-N 3.09Å; E31-Q33 PolarHBondContact O-N 2.99Å; E31-I68 VanDerWaalsContact OE1-CD1 3.27Å; E31-I68 WeakPolarHBondContact OE1-CD1 3.38Å
32G86.6Confident95Very high78 Ų7829.4 Ų29.480%0.80417%0.174SC*.THydrogen-bonded Turntrans81-5178.600000114.9D30D30-G32 PolarHBondContact O-N 3.04Å
33Q93.7Very high94.7Very high61 Ų6129.6 Ų29.629%0.28518%0.175SC..PPolyproline II helixtrans-71.2161.9168-66.8-175.2-8.900111.4D30 E31 Y36D30-Q33 HydrophobicContact CB-CG 4.16Å; D30-Q33 WeakPolarHBondContact O-CB 3.2Å; D30-Q33 PolarHBondContact O-N 3.11Å; D30-Q33 PolarHBondContact OD2-NE2 3.44Å; E31-Q33 PolarHBondContact O-N 2.99Å; Q33-Y36 HydrophobicContact CB-CE2 4.27Å
34K95.6Very high94.5Very high108 Ų10829.3 Ų29.347%0.4717%0.174SC..PPolyproline II helixtrans-63.5166.4173.667.6177.9-179.4-178.30111.7Y36 E227K34-Y36 HydrophobicContact CG-CE1 4.21Å; K34-Y36 HydrophobicContact CG-CE2 4.05Å; K34-Y36 WeakPolarHBondContact O-CD2 3.47Å; K34-Y36 WeakPolarHBondContact O-CE2 3.45Å; K34-E227 VanDerWaalsContact CE-OE2 3.25Å; K34-E227 WeakPolarHBondContact CE-OE2 3.31Å; K34-E227 IonicContact NZ-OE1 3.72Å; K34-E227 PolarHBondContact NZ-OE1 2.85Å; K34-E227 IonicContact NZ-OE2 3.06Å; K34-E227 PolarHBondContact NZ-OE2 2.82Å
35S97.1Very high94.2Very high58 Ų5831.1 Ų31.141%0.40619%0.186SC..PPolyproline II helixtrans-75.6147.3173-44.10000111.9I14 V15 T16I14-S35 VanDerWaalsContact CG2-CB 3.4Å; V15-S35 CarbonylContact O-C 3.59Å; V15-S35 WeakPolarHBondContact O-CA 3.27Å; T16-S35 VanDerWaalsContact OG1-CB 3.26Å; T16-S35 WeakPolarHBondContact OG1-CB 3.23Å; T16-S35 PolarHBondContact OG1-OG 3.46Å
36Y97.9Very high94.1Very high21 Ų2130 Ų308%0.08218%0.18CC..EExtended strand (participates in β ladder)trans-124.2133.9-177.8-65.9-86.9000111.8I14 V15 F27 I29 Q33 K34 P228 L230I14-Y36 CarbonylContact C-O 3.58Å; I14-Y36 WeakPolarHBondContact CA-O 3.36Å; V15-Y36 PolarHBondContact N-O 3.07Å; V15-Y36 PolarHBondContact O-N 3.34Å; F27-Y36 HydrophobicContact CE1-CE1 4.12Å; F27-Y36 HydrophobicContact CE1-CE2 4.07Å; F27-Y36 AromaticContact CE1-CZ 3.81Å; F27-Y36 HydrophobicContact CZ-CE1 4.44Å; I29-Y36 HydrophobicContact CD1-CD2 3.94Å; I29-Y36 HydrophobicContact CD1-CG 4.41Å; I29-Y36 HydrophobicContact CG1-CD2 4.1Å; I29-Y36 HydrophobicContact CG1-CE2 4.4Å; I29-Y36 HydrophobicContact CG2-CD2 3.95Å; I29-Y36 HydrophobicContact CG2-CE2 4.01Å; Q33-Y36 HydrophobicContact CB-CE2 4.27Å; K34-Y36 HydrophobicContact CG-CE1 4.21Å; K34-Y36 HydrophobicContact CG-CE2 4.05Å; K34-Y36 WeakPolarHBondContact O-CD2 3.47Å; K34-Y36 WeakPolarHBondContact O-CE2 3.45Å; Y36-P228 HydrophobicContact CD1-CG 3.69Å; Y36-P228 HydrophobicContact CE1-CG 3.61Å; Y36-L230 HydrophobicContact CD1-CD1 4.46Å; Y36-L230 HydrophobicContact CG-CD1 4.33Å
37P97.6Very high94.1Very high60 Ų6030 Ų3039%0.3918%0.179SC..EExtended strand (participates in β ladder)trans-74.2135.1172.331.5-33.5000110.5F39 L98P37-F39 HydrophobicContact CB-CE2 3.79Å; P37-F39 HydrophobicContact CB-CZ 4.15Å; P37-F39 HydrophobicContact CG-CE2 4.2Å; P37-L98 HydrophobicContact CB-CD1 4.31Å; P37-L98 HydrophobicContact CB-CD2 3.72Å
38L97.7Very high94Very high0 Ų031.2 Ų31.20%019%0.187CC..EExtended strand (participates in β ladder)trans-114.4131.7174.6-55.6-174.6000109.7F9 K12 C13 V15 V24 L47 L49 L230F9-L38 HydrophobicContact CE1-CD1 4.26Å; F9-L38 HydrophobicContact CZ-CB 4.06Å; F9-L38 HydrophobicContact CZ-CD1 3.81Å; K12-L38 WeakPolarHBondContact CA-O 3.4Å; C13-L38 PolarHBondContact N-O 3.09Å; C13-L38 VanDerWaalsContact N-O 3.17Å; C13-L38 PolarHBondContact O-N 3.2Å; V15-L38 HydrophobicContact CB-CD1 3.86Å; V15-L38 HydrophobicContact CB-CG 4.22Å; V15-L38 HydrophobicContact CG1-CD1 3.68Å; V15-L38 HydrophobicContact CG1-CD2 3.86Å; V15-L38 HydrophobicContact CG1-CG 3.7Å; V24-L38 HydrophobicContact CG1-CD2 4.26Å; V24-L38 HydrophobicContact CG2-CD2 4.37Å; L38-L47 HydrophobicContact CB-CD1 4.12Å; L38-L49 HydrophobicContact CD1-CD1 3.9Å; L38-L49 HydrophobicContact CD1-CD2 4.04Å; L38-L49 HydrophobicContact CD1-CG 4.12Å; L38-L230 HydrophobicContact CD2-CB 3.77Å; L38-L230 HydrophobicContact CD2-CD1 3.64Å; L38-L230 HydrophobicContact CD2-CG 4.28Å
39F97.3Very high93.9Very high14 Ų1430.1 Ų30.16%0.06118%0.18CC..EExtended strand (participates in β ladder)trans-123.6112.4178.1-60.8-84.6000110.6K12 P37 P41 L47 L98 T103 F116 L230 T235K12-F39 HydrophobicContact CB-CD1 4.32Å; P37-F39 HydrophobicContact CB-CE2 3.79Å; P37-F39 HydrophobicContact CB-CZ 4.15Å; P37-F39 HydrophobicContact CG-CE2 4.2Å; F39-P41 VanDerWaalsContact O-CD 3.29Å; F39-P41 WeakPolarHBondContact O-CD 3.1Å; F39-L47 WeakPolarHBondContact O-CD1 3.34Å; F39-L98 HydrophobicContact CD1-CD2 4.13Å; F39-L98 HydrophobicContact CE1-CD2 3.48Å; F39-L98 VanDerWaalsContact CE1-CD2 3.48Å; F39-L98 HydrophobicContact CE1-CG 4.45Å; F39-L98 HydrophobicContact CE2-CD2 4.23Å; F39-L98 HydrophobicContact CZ-CD2 3.55Å; F39-T103 HydrophobicContact CD1-CG2 4.38Å; F39-T103 HydrophobicContact CE1-CG2 3.8Å; F39-F116 HydrophobicContact CB-CE1 4.12Å; F39-F116 AromaticContact CD1-CE1 3.85Å; F39-F116 HydrophobicContact CD1-CE1 3.85Å; F39-F116 AromaticContact CD1-CZ 3.98Å; F39-F116 HydrophobicContact CD1-CZ 3.98Å; F39-F116 HydrophobicContact CG-CE1 4.49Å; F39-L230 PolarHBondContact N-O 2.57Å; F39-L230 VanDerWaalsContact N-O 3.09Å; F39-T235 HydrophobicContact CB-CG2 3.8Å; F39-T235 HydrophobicContact CD1-CG2 3.91Å; F39-T235 HydrophobicContact CD2-CG2 3.87Å; F39-T235 HydrophobicContact CE1-CG2 4.41Å; F39-T235 HydrophobicContact CE2-CG2 4.38Å; F39-T235 HydrophobicContact CG-CG2 3.6Å
40S95.9Very high93.8Very high0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-121.169.6178-161.60000113F9 R10 G11 P46 L47F9-S40 WeakPolarHBondContact O-CB 3.34Å; F9-S40 PolarHBondContact O-OG 3.03Å; R10-S40 WeakPolarHBondContact CA-O 3.43Å; G11-S40 PolarHBondContact N-O 3.24Å; G11-S40 CarbonylContact O-C 3.58Å; G11-S40 WeakPolarHBondContact O-CA 3.14Å; G11-S40 PolarHBondContact O-N 2.8Å; S40-P46 WeakPolarHBondContact OG-CA 3.48Å; S40-L47 PolarHBondContact OG-N 3.24Å
41P94.5Very high93.8Very high1 Ų132.6 Ų32.61%0.00619%0.185CC..  trans-81.3159-179.933.5-34.2000112.8R10 F39 S43 H44 L115 F116 P232 F234R10-P41 PolarHBondContact NH1-O 2.98Å; F39-P41 VanDerWaalsContact O-CD 3.29Å; F39-P41 WeakPolarHBondContact O-CD 3.1Å; P41-S43 WeakPolarHBondContact CG-OG 3.23Å; P41-S43 PolarHBondContact O-N 3Å; P41-S43 VanDerWaalsContact O-N 3.08Å; P41-H44 PolarHBondContact O-N 3.27Å; P41-L115 CarbonylContact C-O 3.59Å; P41-L115 WeakPolarHBondContact CA-O 3.42Å; P41-L115 HydrophobicContact CB-CD1 4.08Å; P41-L115 HydrophobicContact CB-CG 3.89Å; P41-L115 WeakPolarHBondContact CB-O 3.43Å; P41-F116 HydrophobicContact CB-CD1 3.85Å; P41-F116 HydrophobicContact CB-CE1 3.84Å; P41-F116 HydrophobicContact CB-CG 4.49Å; P41-F116 HydrophobicContact CB-CZ 4.48Å; P41-F116 HydrophobicContact CG-CE1 4.2Å; P41-P232 HydrophobicContact CG-CG 3.48Å; P41-P232 VanDerWaalsContact CG-CG 3.48Å; P41-F234 HydrophobicContact CB-CZ 4.36Å; P41-F234 HydrophobicContact CG-CE1 4.33Å; P41-F234 HydrophobicContact CG-CZ 3.87Å
42A90.7Very high93.8Very high4 Ų431.8 Ų31.83%0.03318%0.182CC..THydrogen-bonded Turntrans-58.2-21.1177.900000114.5H44 L115 P119A42-H44 PolarHBondContact O-N 3.21Å; A42-L115 PolarHBondContact N-O 3.27Å; A42-P119 HydrophobicContact CB-CB 4.35Å; A42-P119 HydrophobicContact CB-CG 4.39Å
43S90Very high93.3Very high3 Ų328.7 Ų28.72%0.02115%0.151CC..THydrogen-bonded Turntrans-65.6-22.8177.855.10000113.8P41 H373P41-S43 WeakPolarHBondContact CG-OG 3.23Å; P41-S43 PolarHBondContact O-N 3Å; P41-S43 VanDerWaalsContact O-N 3.08Å; S43-H373 WeakPolarHBondContact CB-O 3.5Å
44H90.4Very high92.2Very high36 Ų3627.4 Ų27.417%0.16715%0.145CC..SBendtrans-127.9175.2-174.2-69.370.7000111.8R10 P41 A42 P232 H379R10-H44 PolarHBondContact NH1-O 3.05Å; R10-H44 PolarHBondContact NH2-O 3.43Å; R10-H44 VanDerWaalsContact NH2-O 3.08Å; P41-H44 PolarHBondContact O-N 3.27Å; A42-H44 PolarHBondContact O-N 3.21Å; H44-P232 HydrophobicContact CB-CG 4.18Å; H44-P232 WeakPolarHBondContact ND1-CG 3.47Å; H44-H379 AromaticContact CE1-CE1 3.91Å; H44-H379 AromaticContact CE1-NE2 3.71Å; H44-H379 AromaticContact NE2-CE1 3.93Å
45C89.8Confident90.5Very high37 Ų3726.5 Ų26.525%0.2515%0.148CC..PPolyproline II helixtrans-61139.6172.1173.20000110.3L147 E363C45-L147 PolarHBondContact SG-N 3.08Å; C45-E363 PolarHBondContact SG-OE2 3.37Å
46P92.1Very high88.7Confident1 Ų128.2 Ų28.21%0.00615%0.153CC..PPolyproline II helixtrans-62146.717924.6-31.2000111.5F9 S40 L140 I144 E363F9-P46 WeakPolarHBondContact O-CB 3.33Å; S40-P46 WeakPolarHBondContact OG-CA 3.48Å; P46-L140 HydrophobicContact CB-CD1 3.76Å; P46-L140 HydrophobicContact CG-CD1 3.93Å; P46-I144 HydrophobicContact CG-CG2 4.22Å; P46-E363 WeakPolarHBondContact CD-OE2 3.25Å
47L94.3Very high86.7Confident8 Ų837.2 Ų37.24%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-79.1147.6178.9-68.1-174.4000109.5C8 F9 M25 L38 F39 S40C8-L47 WeakPolarHBondContact CA-O 3.47Å; F9-L47 HydrophobicContact CE1-CB 3.94Å; F9-L47 HydrophobicContact CZ-CB 4.14Å; F9-L47 HydrophobicContact CZ-CD1 4.47Å; F9-L47 PolarHBondContact N-O 2.9Å; F9-L47 PolarHBondContact O-N 3.24Å; M25-L47 HydrophobicContact CG-CD2 3.8Å; M25-L47 HydrophobicContact SD-CD2 3.37Å; M25-L47 WeakPolarHBondContact SD-CD2 3.43Å; L38-L47 HydrophobicContact CB-CD1 4.12Å; F39-L47 WeakPolarHBondContact O-CD1 3.34Å; S40-L47 PolarHBondContact OG-N 3.24Å
48T94.2Very high84.7Confident34 Ų3441 Ų4121%0.20921%0.21CC..EExtended strand (participates in β ladder)trans-128.1117.9175.5-61.60000109.2T6 L7T6-T48 HydrophobicContact CG2-CG2 3.91Å; L7-T48 WeakPolarHBondContact O-CA 3.4Å
49L94.9Very high83Confident0 Ų046 Ų460%023%0.229CC..EExtended strand (participates in β ladder)trans-83.8130.3166.5-76.6163.6000108.6M1 T6 L7 F9 V15 V22 V24 L38 I93 L95M1-L49 HydrophobicContact CE-CB 4.45Å; T6-L49 CarbonylContact C-O 3.54Å; T6-L49 WeakPolarHBondContact CA-O 3.27Å; L7-L49 HydrophobicContact CB-CB 4.33Å; L7-L49 HydrophobicContact CD2-CD1 4.37Å; L7-L49 PolarHBondContact N-O 2.89Å; L7-L49 PolarHBondContact O-N 3.39Å; F9-L49 HydrophobicContact CE1-CD1 4.1Å; F9-L49 HydrophobicContact CE1-CG 4.29Å; V15-L49 HydrophobicContact CG2-CD1 4.41Å; V15-L49 HydrophobicContact CG2-CD2 4.38Å; V22-L49 HydrophobicContact CG2-CD2 4.39Å; V24-L49 HydrophobicContact CB-CD2 3.95Å; V24-L49 HydrophobicContact CG1-CD2 4.28Å; L38-L49 HydrophobicContact CD1-CD1 3.9Å; L38-L49 HydrophobicContact CD1-CD2 4.04Å; L38-L49 HydrophobicContact CD1-CG 4.12Å; L49-I93 HydrophobicContact CD1-CD1 4.18Å; L49-L95 HydrophobicContact CD1-CD2 4.4Å
50R94.3Very high81.7Confident105 Ų10550.6 Ų50.640%0.39625%0.254SS..EExtended strand (participates in β ladder)trans-124.6123.6179.5-179.7167.365.4167.95.3110.3T6 V22 E23 L52T6-R50 HydrophobicContact CG2-CB 4.15Å; T6-R50 HydrophobicContact CG2-CG 4.08Å; V22-R50 CarbonylContact C-O 3.58Å; V22-R50 WeakPolarHBondContact CA-O 2.76Å; E23-R50 VanDerWaalsContact CD-NH2 3.28Å; E23-R50 PolarHBondContact N-O 3.49Å; E23-R50 PolarHBondContact O-N 3.05Å; E23-R50 IonicContact OE1-NH2 3.73Å; E23-R50 PolarHBondContact OE1-NH2 3.06Å; E23-R50 VanDerWaalsContact OE1-NH2 3.16Å; E23-R50 IonicContact OE2-CZ 2.73Å; E23-R50 IonicContact OE2-NE 2.94Å; E23-R50 PolarHBondContact OE2-NE 3.13Å; E23-R50 IonicContact OE2-NH2 3.96Å; E23-R50 PolarHBondContact OE2-NH2 3.17Å; R50-L52 PolarHBondContact O-N 3.09Å
51A93.8Very high80.6Confident0 Ų051.4 Ų51.40%026%0.259CS..EExtended strand (participates in β ladder)trans-73.8127.5174.200000111M1 Q2 N4 Q5M1-A51 HydrophobicContact CB-CB 3.63Å; M1-A51 HydrophobicContact CE-CB 4.43Å; Q2-A51 VanDerWaalsContact O-CB 3.28Å; Q2-A51 WeakPolarHBondContact O-CB 3.08Å; N4-A51 WeakPolarHBondContact CA-O 3.42Å; N4-A51 PolarHBondContact N-O 3.36Å; Q5-A51 PolarHBondContact O-N 3.26Å
52L90.7Very high79.9Confident38 Ų3858 Ų5820%0.19928%0.283CS..PPolyproline II helixtrans-93.1154.4177.2-59.2-175.2000110.4R21 E23 T28 R50R21-L52 HydrophobicContact CB-CB 4.2Å; R21-L52 PolarHBondContact O-N 3.03Å; E23-L52 HydrophobicContact CB-CD1 3.99Å; E23-L52 HydrophobicContact CB-CD2 3.96Å; E23-L52 HydrophobicContact CB-CG 3.97Å; T28-L52 HydrophobicContact CG2-CD1 3.92Å; R50-L52 PolarHBondContact O-N 3.09Å
53G77.7Confident79.6Confident14 Ų1461.2 Ų61.214%0.14430%0.302CS..PPolyproline II helixtrans-75.1143.4171.800000111.4R21R21-G53 PolarHBondContact NH2-O 3.3Å
54H69.6Low79.3Confident34 Ų3463.8 Ų63.816%0.15731%0.314CS..PPolyproline II helixtrans-70.3142166-134.3-44.1000109.7P88H54-P88 WeakPolarHBondContact CB-O 3.23Å
55T59.3Low79Confident88 Ų8862.1 Ų62.154%0.5431%0.306SS..SBendtrans-89.5-16.7175.341.40000113.2
56D59.3Low78.8Confident95 Ų9562 Ų6251%0.50831%0.306SS..  trans-104114-170.3-62.9-21.9000110.6V58D56-V58 VanDerWaalsContact C-N 3.33Å; D56-V58 PolarHBondContact O-N 3.39Å
57Y56Low78.6Confident209 Ų20966.8 Ų66.882%0.8233%0.332SS*.THydrogen-bonded Turntrans-87.19.2-172.8-71.1-88.4000114.5
58V55.9Low78.3Confident141 Ų14168.1 Ų68.186%0.85534%0.338SS*.THydrogen-bonded Turntrans-108.4-3.5-164.5-1700000113.5D56D56-V58 VanDerWaalsContact C-N 3.33Å; D56-V58 PolarHBondContact O-N 3.39Å
59R63.6Low78Confident104 Ų10466.7 Ų66.739%0.39233%0.329SS..SBendtrans-85.3142.5-176.1-74.7-179.6170.1-147.76.7112.5D61 E64R59-D61 WeakPolarHBondContact CB-OD1 3.45Å; R59-D61 PolarHBondContact O-N 3.38Å; R59-E64 WeakPolarHBondContact CD-OE2 3.29Å; R59-E64 IonicContact CZ-OE1 2.55Å; R59-E64 IonicContact CZ-OE2 2.81Å; R59-E64 IonicContact NE-OE2 3.9Å; R59-E64 VanDerWaalsContact NH1-CD 3.28Å; R59-E64 IonicContact NH1-OE1 2.65Å; R59-E64 PolarHBondContact NH1-OE1 2.85Å; R59-E64 IonicContact NH1-OE2 3.6Å; R59-E64 PolarHBondContact NH1-OE2 3.27Å
60D69.1Low77.7Confident110 Ų11071.3 Ų71.359%0.58835%0.351SS*.  trans-79.776.7164.5-175.411.1000108.8R62 T63 E64D60-R62 PolarHBondContact O-N 2.92Å; D60-T63 WeakPolarHBondContact CB-OG1 3.29Å; D60-T63 PolarHBondContact O-N 2.77Å; D60-T63 PolarHBondContact O-OG1 2.94Å; D60-T63 WeakPolarHBondContact OD2-CG2 3.15Å; D60-T63 PolarHBondContact OD2-OG1 2.98Å; D60-E64 PolarHBondContact O-N 2.87Å
61D73.1Confident77.3Confident18 Ų1873 Ų7310%0.09637%0.368CS..Hα-helixtrans-56-24.8-167.5-55.8-50.6000114.2Y19 R59 A65 P88Y19-D61 WeakPolarHBondContact OH-CA 3.02Å; Y19-D61 WeakPolarHBondContact OH-CB 3.14Å; Y19-D61 VanDerWaalsContact OH-CG 3.23Å; Y19-D61 PolarHBondContact OH-OD1 3.42Å; R59-D61 WeakPolarHBondContact CB-OD1 3.45Å; R59-D61 PolarHBondContact O-N 3.38Å; D61-A65 WeakPolarHBondContact O-CB 3.27Å; D61-A65 PolarHBondContact O-N 3Å; D61-P88 WeakPolarHBondContact OD2-CA 3.4Å; D61-P88 WeakPolarHBondContact OD2-CB 3.48Å; D61-P88 WeakPolarHBondContact OD2-CG 3.41Å
62R80.4Confident77Confident139 Ų13978.8 Ų78.853%0.52539%0.391SS..Hα-helixtrans-85-38-175-73-176.8175.4174.62.1113D60 S66 V83D60-R62 PolarHBondContact O-N 2.92Å; R62-S66 VanDerWaalsContact O-CB 3.23Å; R62-S66 WeakPolarHBondContact O-CB 3.42Å; R62-S66 PolarHBondContact O-N 2.87Å; R62-V83 HydrophobicContact CB-CG1 4.09Å; R62-V83 HydrophobicContact CG-CG1 4.42Å
63T82.9Confident76.8Confident71 Ų7179.8 Ų79.844%0.43640%0.396SS..Hα-helixtrans-71.5-43176.337.50000110.3D60 S66 N67D60-T63 WeakPolarHBondContact CB-OG1 3.29Å; D60-T63 PolarHBondContact O-N 2.77Å; D60-T63 PolarHBondContact O-OG1 2.94Å; D60-T63 WeakPolarHBondContact OD2-CG2 3.15Å; D60-T63 PolarHBondContact OD2-OG1 2.98Å; T63-S66 WeakPolarHBondContact O-CB 3.28Å; T63-S66 PolarHBondContact O-N 3.4Å; T63-N67 VanDerWaalsContact O-CG 3.24Å; T63-N67 PolarHBondContact O-N 3.05Å; T63-N67 PolarHBondContact O-ND2 3.42Å; T63-N67 PolarHBondContact O-OD1 2.96Å
64E83.4Confident76.9Confident58 Ų5885 Ų8527%0.27143%0.43SS..Hα-helixtrans-61.4-52.2176.4-171.1169.9-146.600111.7Y19 R59 D60 S66 N67 I68Y19-E64 HydrophobicContact CE2-CB 4.49Å; Y19-E64 HydrophobicContact CE2-CG 4.36Å; R59-E64 WeakPolarHBondContact CD-OE2 3.29Å; R59-E64 IonicContact CZ-OE1 2.55Å; R59-E64 IonicContact CZ-OE2 2.81Å; R59-E64 IonicContact NE-OE2 3.9Å; R59-E64 VanDerWaalsContact NH1-CD 3.28Å; R59-E64 IonicContact NH1-OE1 2.65Å; R59-E64 PolarHBondContact NH1-OE1 2.85Å; R59-E64 IonicContact NH1-OE2 3.6Å; R59-E64 PolarHBondContact NH1-OE2 3.27Å; D60-E64 PolarHBondContact O-N 2.87Å; E64-S66 PolarHBondContact O-N 2.86Å; E64-N67 PolarHBondContact O-N 3.46Å; E64-N67 VanDerWaalsContact O-N 3.1Å; E64-I68 HydrophobicContact CG-CD1 4.29Å; E64-I68 WeakPolarHBondContact O-CG1 3.44Å; E64-I68 PolarHBondContact O-N 2.71Å; E64-I68 VanDerWaalsContact O-N 3.07Å
65A84.4Confident77.7Confident0 Ų085.6 Ų85.60%044%0.441CS..Hα-helixtrans-59.2-35.2174.800000112.4Y19 D61 L69 V86 I92Y19-A65 HydrophobicContact CD2-CB 4.2Å; Y19-A65 HydrophobicContact CE2-CB 4.45Å; Y19-A65 HydrophobicContact CG-CB 4.29Å; D61-A65 WeakPolarHBondContact O-CB 3.27Å; D61-A65 PolarHBondContact O-N 3Å; A65-L69 WeakPolarHBondContact O-CB 3.38Å; A65-L69 WeakPolarHBondContact O-CD1 3.37Å; A65-L69 WeakPolarHBondContact O-CG 3.34Å; A65-L69 PolarHBondContact O-N 2.84Å; A65-L69 VanDerWaalsContact O-N 3.08Å; A65-V86 HydrophobicContact CB-CG1 4.26Å; A65-V86 HydrophobicContact CB-CG2 4.36Å; A65-I92 HydrophobicContact CB-CD1 3.91Å
66S86.1Confident78.7Confident35 Ų3583.7 Ų83.725%0.24544%0.435CS..Hα-helixtrans-65-42.9176.2-1710000111.9R62 T63 E64 L69 E70R62-S66 VanDerWaalsContact O-CB 3.23Å; R62-S66 WeakPolarHBondContact O-CB 3.42Å; R62-S66 PolarHBondContact O-N 2.87Å; T63-S66 WeakPolarHBondContact O-CB 3.28Å; T63-S66 PolarHBondContact O-N 3.4Å; E64-S66 PolarHBondContact O-N 2.86Å; S66-L69 PolarHBondContact O-N 2.85Å; S66-E70 WeakPolarHBondContact O-CG 3.43Å; S66-E70 PolarHBondContact O-N 3.11Å
67N87.4Confident79.8Confident102 Ų10282.9 Ų82.955%0.54544%0.441SS..Hα-helixtrans-62.5-48.1179.3-68-16.6000110.9T63 E64 L69 E70T63-N67 VanDerWaalsContact O-CG 3.24Å; T63-N67 PolarHBondContact O-N 3.05Å; T63-N67 PolarHBondContact O-ND2 3.42Å; T63-N67 PolarHBondContact O-OD1 2.96Å; E64-N67 PolarHBondContact O-N 3.46Å; E64-N67 VanDerWaalsContact O-N 3.1Å; N67-L69 VanDerWaalsContact C-N 3.3Å; N67-L69 PolarHBondContact O-N 3.02Å; N67-E70 WeakPolarHBondContact O-CB 3.4Å; N67-E70 PolarHBondContact O-N 3.16Å; N67-E70 VanDerWaalsContact O-N 3.09Å
68I87.9Confident81.1Confident35 Ų3576 Ų7618%0.17942%0.423CS..Hα-helixtrans-60.4-43.5178.4-61.8169000110.4L18 Y19 E31 E64 E70 D71 Y72L18-I68 HydrophobicContact CB-CG2 4.07Å; L18-I68 VanDerWaalsContact O-CD1 3.29Å; L18-I68 WeakPolarHBondContact O-CD1 3.46Å; Y19-I68 HydrophobicContact CD2-CD1 4.21Å; E31-I68 VanDerWaalsContact OE1-CD1 3.27Å; E31-I68 WeakPolarHBondContact OE1-CD1 3.38Å; E64-I68 HydrophobicContact CG-CD1 4.29Å; E64-I68 WeakPolarHBondContact O-CG1 3.44Å; E64-I68 PolarHBondContact O-N 2.71Å; E64-I68 VanDerWaalsContact O-N 3.07Å; I68-E70 PolarHBondContact O-N 3.36Å; I68-D71 PolarHBondContact O-N 2.77Å; I68-Y72 HydrophobicContact CG2-CD2 4.49Å; I68-Y72 HydrophobicContact CG2-CE2 4.23Å; I68-Y72 VanDerWaalsContact O-CD2 3.27Å; I68-Y72 WeakPolarHBondContact O-CD2 3.26Å
69L88.7Confident82.5Confident4 Ų471.3 Ų71.32%0.02139%0.39CS..Hα-helixtrans-67-15.9179.9-71.6172.6000113.9A65 S66 N67 D71 Y72 L73 R79 L82 V83 I92A65-L69 WeakPolarHBondContact O-CB 3.38Å; A65-L69 WeakPolarHBondContact O-CD1 3.37Å; A65-L69 WeakPolarHBondContact O-CG 3.34Å; A65-L69 PolarHBondContact O-N 2.84Å; A65-L69 VanDerWaalsContact O-N 3.08Å; S66-L69 PolarHBondContact O-N 2.85Å; N67-L69 VanDerWaalsContact C-N 3.3Å; N67-L69 PolarHBondContact O-N 3.02Å; L69-D71 VanDerWaalsContact C-N 3.26Å; L69-D71 PolarHBondContact O-N 2.94Å; L69-Y72 PolarHBondContact O-N 3.18Å; L69-L73 HydrophobicContact CD2-CD1 3.94Å; L69-L73 PolarHBondContact O-N 3.47Å; L69-R79 HydrophobicContact CB-CG 4.48Å; L69-R79 WeakPolarHBondContact O-CD 3.18Å; L69-L82 HydrophobicContact CD1-CB 4.39Å; L69-L82 HydrophobicContact CD1-CD2 3.77Å; L69-L82 HydrophobicContact CD1-CG 4.19Å; L69-L82 HydrophobicContact CD2-CD2 3.82Å; L69-L82 HydrophobicContact CG-CD2 4.47Å; L69-V83 HydrophobicContact CD1-CG2 3.76Å; L69-I92 HydrophobicContact CD1-CD1 4.1Å; L69-I92 HydrophobicContact CD2-CD1 4.46Å; L69-I92 HydrophobicContact CD2-CG2 4.14Å; L69-I92 HydrophobicContact CG-CD1 4.36Å
70E87.9Confident83.5Confident97 Ų9773.5 Ų73.545%0.45340%0.402SS..Hα-helixtrans-64.9-34.3177.4-58.1-143.312100112.1S66 N67 I68 R79S66-E70 WeakPolarHBondContact O-CG 3.43Å; S66-E70 PolarHBondContact O-N 3.11Å; N67-E70 WeakPolarHBondContact O-CB 3.4Å; N67-E70 PolarHBondContact O-N 3.16Å; N67-E70 VanDerWaalsContact O-N 3.09Å; I68-E70 PolarHBondContact O-N 3.36Å; E70-R79 IonicContact OE1-CZ 3.48Å; E70-R79 IonicContact OE1-NE 3.8Å; E70-R79 IonicContact OE1-NH2 2.8Å; E70-R79 PolarHBondContact OE1-NH2 3.47Å
71D87.3Confident84.4Confident142 Ų14275.3 Ų75.376%0.75941%0.405SS*.Hα-helixtrans-74.2-26.1-178.6-65.2-24000112.7I68 L69I68-D71 PolarHBondContact O-N 2.77Å; L69-D71 VanDerWaalsContact C-N 3.26Å; L69-D71 PolarHBondContact O-N 2.94Å
72Y86.5Confident85Confident120 Ų12077.6 Ų77.647%0.47142%0.417SS..Hα-helixtrans-107.5-22.8-173.7-61.6-85.9000114.2L18 I68 L69 L94L18-Y72 HydrophobicContact CD1-CD2 3.97Å; L18-Y72 HydrophobicContact CD1-CE2 4.34Å; L18-Y72 HydrophobicContact CD1-CG 4.12Å; L18-Y72 HydrophobicContact CD2-CD1 4.48Å; L18-Y72 HydrophobicContact CD2-CD2 4.06Å; L18-Y72 HydrophobicContact CD2-CE1 4.01Å; L18-Y72 HydrophobicContact CD2-CE2 3.57Å; L18-Y72 HydrophobicContact CD2-CG 4.49Å; I68-Y72 HydrophobicContact CG2-CD2 4.49Å; I68-Y72 HydrophobicContact CG2-CE2 4.23Å; I68-Y72 VanDerWaalsContact O-CD2 3.27Å; I68-Y72 WeakPolarHBondContact O-CD2 3.26Å; L69-Y72 PolarHBondContact O-N 3.18Å; Y72-L94 HydrophobicContact CD1-CD2 3.78Å; Y72-L94 HydrophobicContact CE1-CD2 3.91Å
73L85.6Confident85.3Confident60 Ų6072 Ų7231%0.31440%0.398SS..  trans-124.8107.8-177.3-65.8173.4000110.8L69 A75 R79 L82L69-L73 HydrophobicContact CD2-CD1 3.94Å; L69-L73 PolarHBondContact O-N 3.47Å; L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 3.12Å; L73-R79 HydrophobicContact CB-CG 3.56Å; L73-R79 HydrophobicContact CD1-CG 4.16Å; L73-R79 WeakPolarHBondContact O-CD 3.33Å; L73-R79 PolarHBondContact O-NH1 2.83Å; L73-L82 HydrophobicContact CD1-CD2 4.3Å
74S81.1Confident85.5Confident122 Ų12276.4 Ų76.485%0.85341%0.411SS*.  trans-69-29.417758.50000113.4A76S74-A76 PolarHBondContact O-N 3.3Å
75A86Confident85.7Confident47 Ų4780.1 Ų80.139%0.38843%0.427SS..  trans-82.2103.5-177.400000112.5L73 A77 S78 R79L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 3.12Å; A75-A77 PolarHBondContact O-N 2.84Å; A75-A77 VanDerWaalsContact O-N 3.11Å; A75-S78 PolarHBondContact O-N 2.86Å; A75-R79 PolarHBondContact O-N 3.45Å; A75-R79 VanDerWaalsContact O-N 3.11Å
76A80.8Confident85.7Confident49 Ų4980.4 Ų80.441%0.40543%0.428SS..Hα-helixtrans-55.3-31.9-179.900000114.2S74 K80S74-A76 PolarHBondContact O-N 3.3Å; A76-K80 WeakPolarHBondContact O-CB 3.47Å; A76-K80 WeakPolarHBondContact O-CG 3.25Å; A76-K80 PolarHBondContact O-N 3.44Å
77A82.4Confident85.6Confident78 Ų7880.8 Ų80.865%0.64543%0.429SS*.Hα-helixtrans-66.7-42.9176.700000112.4A75 K81A75-A77 PolarHBondContact O-N 2.84Å; A75-A77 VanDerWaalsContact O-N 3.11Å; A77-K81 WeakPolarHBondContact O-CB 3.31Å; A77-K81 PolarHBondContact O-N 2.99Å
78S82.4Confident85Confident63 Ų6379.3 Ų79.344%0.44143%0.425SS..Hα-helixtrans-65.9-42.4176.5-600000111.2A75 K81 L82A75-S78 PolarHBondContact O-N 2.86Å; S78-K81 PolarHBondContact O-N 3.41Å; S78-L82 PolarHBondContact O-N 3.11Å
79R84.9Confident84.8Confident44 Ų4479.9 Ų79.917%0.16643%0.43CS..Hα-helixtrans-56.2-55.7173.1-66.9-162.1-60-136.422.6111.7L69 E70 L73 A75 K81 L82 V83L69-R79 HydrophobicContact CB-CG 4.48Å; L69-R79 WeakPolarHBondContact O-CD 3.18Å; E70-R79 IonicContact OE1-CZ 3.48Å; E70-R79 IonicContact OE1-NE 3.8Å; E70-R79 IonicContact OE1-NH2 2.8Å; E70-R79 PolarHBondContact OE1-NH2 3.47Å; L73-R79 HydrophobicContact CB-CG 3.56Å; L73-R79 HydrophobicContact CD1-CG 4.16Å; L73-R79 WeakPolarHBondContact O-CD 3.33Å; L73-R79 PolarHBondContact O-NH1 2.83Å; A75-R79 PolarHBondContact O-N 3.45Å; A75-R79 VanDerWaalsContact O-N 3.11Å; R79-K81 PolarHBondContact O-N 3.25Å; R79-L82 PolarHBondContact O-N 3.34Å; R79-V83 WeakPolarHBondContact O-CG2 3.33Å; R79-V83 PolarHBondContact O-N 3.36Å
80K85.3Confident84.8Confident149 Ų14980 Ų8065%0.64843%0.431SS*.Hα-helixtrans-57.4-36.7179.1-75.2-180-179.3-178.80112.3A76 K84A76-K80 WeakPolarHBondContact O-CB 3.47Å; A76-K80 WeakPolarHBondContact O-CG 3.25Å; A76-K80 PolarHBondContact O-N 3.44Å; K80-K84 WeakPolarHBondContact O-CB 3.35Å; K80-K84 VanDerWaalsContact O-CG 3.23Å; K80-K84 WeakPolarHBondContact O-CG 3.31Å; K80-K84 PolarHBondContact O-N 3.08Å
81K87.4Confident85Confident148 Ų14875.4 Ų75.464%0.64341%0.41SS*.Hα-helixtrans-67.5-40.1176.9-172.4179.6-179.2-179.30112.1A77 S78 R79A77-K81 WeakPolarHBondContact O-CB 3.31Å; A77-K81 PolarHBondContact O-N 2.99Å; S78-K81 PolarHBondContact O-N 3.41Å; R79-K81 PolarHBondContact O-N 3.25Å
82L85.6Confident85.3Confident67 Ų6769.4 Ų69.435%0.35138%0.378SS..Hα-helixtrans-72-48.7179.3-172.161.2000111.4L69 L73 S78 R79 K84 K85 V86 I92L69-L82 HydrophobicContact CD1-CB 4.39Å; L69-L82 HydrophobicContact CD1-CD2 3.77Å; L69-L82 HydrophobicContact CD1-CG 4.19Å; L69-L82 HydrophobicContact CD2-CD2 3.82Å; L69-L82 HydrophobicContact CG-CD2 4.47Å; L73-L82 HydrophobicContact CD1-CD2 4.3Å; S78-L82 PolarHBondContact O-N 3.11Å; R79-L82 PolarHBondContact O-N 3.34Å; L82-K84 VanDerWaalsContact C-N 3.25Å; L82-K84 PolarHBondContact O-N 3.34Å; L82-K85 WeakPolarHBondContact O-CA 3.3Å; L82-K85 WeakPolarHBondContact O-CB 3.02Å; L82-K85 PolarHBondContact O-N 3.48Å; L82-V86 PolarHBondContact O-N 3.24Å; L82-I92 HydrophobicContact CD2-CG2 4.47Å
83V87.6Confident85.7Confident21 Ų2165.3 Ų65.313%0.12736%0.364CS..Hα-helixtrans-56.9-37.8178.9174.80000111.8R62 L69 R79 K85 V86R62-V83 HydrophobicContact CB-CG1 4.09Å; R62-V83 HydrophobicContact CG-CG1 4.42Å; L69-V83 HydrophobicContact CD1-CG2 3.76Å; R79-V83 WeakPolarHBondContact O-CG2 3.33Å; R79-V83 PolarHBondContact O-N 3.36Å; V83-K85 PolarHBondContact O-N 3.05Å; V83-K85 VanDerWaalsContact O-N 3.17Å; V83-V86 WeakPolarHBondContact O-CB 3.46Å; V83-V86 PolarHBondContact O-N 2.96Å
84K88Confident86.1Confident164 Ų16464.7 Ų64.771%0.71336%0.361SS*.THydrogen-bonded Turntrans-59.7-25.6174.8-80.1177.5-177.9-171.90114.1K80 L82K80-K84 WeakPolarHBondContact O-CB 3.35Å; K80-K84 VanDerWaalsContact O-CG 3.23Å; K80-K84 WeakPolarHBondContact O-CG 3.31Å; K80-K84 PolarHBondContact O-N 3.08Å; L82-K84 VanDerWaalsContact C-N 3.25Å; L82-K84 PolarHBondContact O-N 3.34Å
85K86.3Confident86.8Confident136 Ų13659.8 Ų59.859%0.59133%0.325SS*.THydrogen-bonded Turntrans-92.6-8.1178.9-63.9-175.5175.7-170.10113.1Q2 L82 V83 T87Q2-K85 PolarHBondContact NE2-O 3.15Å; L82-K85 WeakPolarHBondContact O-CA 3.3Å; L82-K85 WeakPolarHBondContact O-CB 3.02Å; L82-K85 PolarHBondContact O-N 3.48Å; V83-K85 PolarHBondContact O-N 3.05Å; V83-K85 VanDerWaalsContact O-N 3.17Å; K85-T87 PolarHBondContact O-N 2.99Å
86V85.3Confident87.3Confident5 Ų560.4 Ų60.43%0.0332%0.321CS..  trans-72.6127.3178.9179.80000108.9Y19 A65 L82 V83 I92Y19-V86 HydrophobicContact CE1-CG1 4.27Å; A65-V86 HydrophobicContact CB-CG1 4.26Å; A65-V86 HydrophobicContact CB-CG2 4.36Å; L82-V86 PolarHBondContact O-N 3.24Å; V83-V86 WeakPolarHBondContact O-CB 3.46Å; V83-V86 PolarHBondContact O-N 2.96Å; V86-I92 HydrophobicContact CG2-CD1 3.91Å; V86-I92 HydrophobicContact CG2-CG1 4.49Å
87T82.9Confident87.9Confident44 Ų4461.7 Ų61.727%0.2733%0.326SS..  trans-113.6164.2170.867.90000108.7Q2 K85 T89 S90Q2-T87 PolarHBondContact OE1-OG1 2.69Å; K85-T87 PolarHBondContact O-N 2.99Å; T87-T89 PolarHBondContact O-N 2.98Å; T87-S90 PolarHBondContact N-OG 3.49Å; T87-S90 VanDerWaalsContact O-CB 3.27Å; T87-S90 WeakPolarHBondContact O-CB 3.46Å; T87-S90 PolarHBondContact O-N 2.84Å; T87-S90 PolarHBondContact O-OG 3.13Å; T87-S90 PolarHBondContact OG1-N 2.66Å; T87-S90 PolarHBondContact OG1-OG 2.88Å
88P76.5Confident88.5Confident71 Ų7158.7 Ų58.746%0.46130%0.299SS..THydrogen-bonded Turntrans-58.9-14.1176.8-23.432.1000115.2H54 D61H54-P88 WeakPolarHBondContact CB-O 3.23Å; D61-P88 WeakPolarHBondContact OD2-CA 3.4Å; D61-P88 WeakPolarHBondContact OD2-CB 3.48Å; D61-P88 WeakPolarHBondContact OD2-CG 3.41Å
89T83Confident89Confident47 Ų4760 Ų6029%0.28830%0.301SS..THydrogen-bonded Turntrans-114.111.3-179.468.20000112.3K3 T87K3-T89 HydrophobicContact CD-CG2 4.32Å; K3-T89 PolarHBondContact N-O 2.92Å; T87-T89 PolarHBondContact O-N 2.98Å
90S88.9Confident89.4Confident6 Ų659.4 Ų59.44%0.04230%0.302CS..  trans-82.4152.4174.9-66.10000110.9M1 Q2 T87M1-S90 CarbonylContact O-C 3.59Å; M1-S90 VanDerWaalsContact O-CA 3.29Å; M1-S90 WeakPolarHBondContact O-CA 3.37Å; Q2-S90 PolarHBondContact NE2-OG 2.72Å; Q2-S90 VanDerWaalsContact NE2-OG 3.16Å; Q2-S90 PolarHBondContact OE1-OG 2.95Å; Q2-S90 VanDerWaalsContact OE1-OG 3.11Å; T87-S90 PolarHBondContact N-OG 3.49Å; T87-S90 VanDerWaalsContact O-CB 3.27Å; T87-S90 WeakPolarHBondContact O-CB 3.46Å; T87-S90 PolarHBondContact O-N 2.84Å; T87-S90 PolarHBondContact O-OG 3.13Å; T87-S90 PolarHBondContact OG1-N 2.66Å; T87-S90 PolarHBondContact OG1-OG 2.88Å
91S92Very high89.9Confident1 Ų153.4 Ų53.41%0.00728%0.278CS..  trans-122.9141.1167.4-40.90000109.6M1 Y19 R21M1-S91 PolarHBondContact N-O 2.95Å; M1-S91 PolarHBondContact O-N 2.77Å; Y19-S91 CarbonylContact O-C 3.46Å; Y19-S91 WeakPolarHBondContact O-CA 3.29Å; Y19-S91 WeakPolarHBondContact O-CB 3.46Å; R21-S91 PolarHBondContact N-OG 3.2Å; R21-S91 PolarHBondContact O-OG 2.79Å
92I92.9Very high90.3Very high16 Ų1647.2 Ų47.28%0.08225%0.252CS..EExtended strand (participates in β ladder)trans-108.6125.8174.6-55.1176.5000107L18 Y19 A65 L69 L82 V86L18-I92 HydrophobicContact CB-CB 4.32Å; L18-I92 HydrophobicContact CB-CG2 4.14Å; L18-I92 HydrophobicContact CD1-CG2 4.24Å; L18-I92 PolarHBondContact N-O 2.99Å; Y19-I92 HydrophobicContact CD1-CG1 4.44Å; Y19-I92 HydrophobicContact CG-CD1 4.45Å; Y19-I92 PolarHBondContact N-O 3.1Å; Y19-I92 VanDerWaalsContact N-O 3.13Å; Y19-I92 PolarHBondContact O-N 2.9Å; A65-I92 HydrophobicContact CB-CD1 3.91Å; L69-I92 HydrophobicContact CD1-CD1 4.1Å; L69-I92 HydrophobicContact CD2-CD1 4.46Å; L69-I92 HydrophobicContact CD2-CG2 4.14Å; L69-I92 HydrophobicContact CG-CD1 4.36Å; L82-I92 HydrophobicContact CD2-CG2 4.47Å; V86-I92 HydrophobicContact CG2-CD1 3.91Å; V86-I92 HydrophobicContact CG2-CG1 4.49Å
93I94.7Very high90.7Very high34 Ų3444 Ų4417%0.17424%0.235CC..EExtended strand (participates in β ladder)trans-120145.1175.760.1170.1000109.6M1 V15 T16 V22 L49 L95M1-I93 HydrophobicContact SD-CD1 3.56Å; M1-I93 VanDerWaalsContact SD-CD1 3.56Å; M1-I93 HydrophobicContact SD-CG1 4.18Å; V15-I93 HydrophobicContact CG2-CB 4.36Å; V15-I93 HydrophobicContact CG2-CG2 4.46Å; T16-I93 CarbonylContact O-C 3.56Å; T16-I93 VanDerWaalsContact O-CA 3.27Å; T16-I93 WeakPolarHBondContact O-CA 3.44Å; V22-I93 HydrophobicContact CB-CG2 4.36Å; V22-I93 HydrophobicContact CG1-CG2 3.5Å; V22-I93 HydrophobicContact CG2-CG2 3.97Å; L49-I93 HydrophobicContact CD1-CD1 4.18Å; I93-L95 HydrophobicContact CD1-CD1 4.43Å; I93-L95 HydrophobicContact CD1-CD2 4.2Å; I93-L95 HydrophobicContact CD1-CG 4.28Å
94L94.6Very high91.1Very high47 Ų4744.6 Ų44.625%0.24624%0.235CC..EExtended strand (participates in β ladder)trans-102.5134.816617865.6000108V15 T16 L18 Y72 D96V15-L94 WeakPolarHBondContact CA-O 3.49Å; T16-L94 PolarHBondContact N-O 3.37Å; T16-L94 PolarHBondContact O-N 2.95Å; L18-L94 HydrophobicContact CD1-CB 3.97Å; L18-L94 HydrophobicContact CD2-CB 4.33Å; L18-L94 HydrophobicContact CG-CB 4.02Å; Y72-L94 HydrophobicContact CD1-CD2 3.78Å; Y72-L94 HydrophobicContact CE1-CD2 3.91Å; L94-D96 WeakPolarHBondContact CD2-OD2 3.28Å
95L95.9Very high91.5Very high19 Ų1936.9 Ų36.910%0.09920%0.202CC..EExtended strand (participates in β ladder)trans-118.3119.4174.5-63.7177.6000108L7 I14 V15 L49 I93 L132 L135L7-L95 HydrophobicContact CD2-CD1 4.18Å; I14-L95 CarbonylContact O-C 3.58Å; I14-L95 VanDerWaalsContact O-CA 3.31Å; I14-L95 WeakPolarHBondContact O-CA 3.34Å; V15-L95 HydrophobicContact CB-CD2 3.97Å; V15-L95 HydrophobicContact CG2-CD2 3.87Å; L49-L95 HydrophobicContact CD1-CD2 4.4Å; I93-L95 HydrophobicContact CD1-CD1 4.43Å; I93-L95 HydrophobicContact CD1-CD2 4.2Å; I93-L95 HydrophobicContact CD1-CG 4.28Å; L95-L132 HydrophobicContact CD1-CD2 4.02Å; L95-L135 HydrophobicContact CB-CD1 4.35Å
96D95.3Very high91.9Very high59 Ų5930.4 Ų30.432%0.31617%0.173SC..EExtended strand (participates in β ladder)trans-111.3150177.1-61.1-62.3000110.7C13 I14 L94 L98C13-D96 WeakPolarHBondContact CA-O 3.48Å; C13-D96 WeakPolarHBondContact CB-O 3.46Å; I14-D96 HydrophobicContact CB-CB 4.2Å; I14-D96 PolarHBondContact N-O 2.91Å; I14-D96 PolarHBondContact O-N 3.07Å; L94-D96 WeakPolarHBondContact CD2-OD2 3.28Å; D96-L98 PolarHBondContact O-N 3.47Å
97P95.1Very high92.4Very high77 Ų7732.4 Ų32.450%0.519%0.188SC..EExtended strand (participates in β ladder)trans-59.7137.7174.3-19.131.5000111.1L135P97-L135 HydrophobicContact CG-CD2 3.83Å
98L94.6Very high92.9Very high15 Ų1533 Ų338%0.07919%0.194CC..  trans-106.3110.7175.4-178.259.7000110.5K12 I14 P37 F39 D96 T100K12-L98 HydrophobicContact CB-CB 4.41Å; K12-L98 HydrophobicContact CB-CD2 4.29Å; K12-L98 WeakPolarHBondContact CD-O 3.45Å; K12-L98 WeakPolarHBondContact CE-O 3.29Å; K12-L98 HydrophobicContact CG-CB 4.46Å; K12-L98 PolarHBondContact NZ-O 2.73Å; I14-L98 HydrophobicContact CD1-CD1 4Å; I14-L98 HydrophobicContact CG1-CB 4.19Å; I14-L98 HydrophobicContact CG1-CD1 3.71Å; I14-L98 HydrophobicContact CG1-CG 4.43Å; P37-L98 HydrophobicContact CB-CD1 4.31Å; P37-L98 HydrophobicContact CB-CD2 3.72Å; F39-L98 HydrophobicContact CD1-CD2 4.13Å; F39-L98 HydrophobicContact CE1-CD2 3.48Å; F39-L98 VanDerWaalsContact CE1-CD2 3.48Å; F39-L98 HydrophobicContact CE1-CG 4.45Å; F39-L98 HydrophobicContact CE2-CD2 4.23Å; F39-L98 HydrophobicContact CZ-CD2 3.55Å; D96-L98 PolarHBondContact O-N 3.47Å; L98-T100 HydrophobicContact CD1-CG2 3.49Å; L98-T100 VanDerWaalsContact CD1-CG2 3.49Å; L98-T100 HydrophobicContact CG-CG2 3.99Å
99D92.1Very high93.8Very high91 Ų9129.7 Ų29.749%0.48717%0.172SC..  trans-118.2125167.7-172.444.2000110.3R104D99-R104 WeakPolarHBondContact OD1-CG 3.44Å; D99-R104 IonicContact OD1-NE 3.5Å; D99-R104 WeakPolarHBondContact OD2-CD 3.27Å; D99-R104 IonicContact OD2-NE 2.74Å; D99-R104 PolarHBondContact OD2-NE 2.87Å
100T94.1Very high94.2Very high31 Ų3132.6 Ų32.619%0.1919%0.19CC..  trans-139.3154.4-176.665.10000110.3L98 L102 T103 R104L98-T100 HydrophobicContact CD1-CG2 3.49Å; L98-T100 VanDerWaalsContact CD1-CG2 3.49Å; L98-T100 HydrophobicContact CG-CG2 3.99Å; T100-L102 PolarHBondContact O-N 3.24Å; T100-T103 PolarHBondContact N-OG1 2.93Å; T100-T103 PolarHBondContact O-N 2.89Å; T100-T103 PolarHBondContact O-OG1 3.48Å; T100-T103 VanDerWaalsContact O-OG1 3.08Å; T100-T103 VanDerWaalsContact OG1-CG2 3.31Å; T100-T103 WeakPolarHBondContact OG1-CG2 3.15Å; T100-T103 PolarHBondContact OG1-N 3.18Å; T100-T103 PolarHBondContact OG1-OG1 3.3Å; T100-R104 PolarHBondContact O-N 2.61Å
101P94.9Very high94.3Very high22 Ų2235.6 Ų35.614%0.14320%0.203CC..Hα-helixtrans-53.2-39.7175-24.733.7000112.3F105 Q392 S393P101-F105 WeakPolarHBondContact O-CB 3.5Å; P101-F105 PolarHBondContact O-N 2.8Å; P101-Q392 HydrophobicContact CB-CB 3.92Å; P101-S393 WeakPolarHBondContact CG-O 3.25Å
102L95.8Very high94.5Very high18 Ų1835.6 Ų35.69%0.09420%0.203CC..Hα-helixtrans-53-56.2172.4171.766.9000112.1T100 F105 L106 T235 S389T100-L102 PolarHBondContact O-N 3.24Å; L102-F105 PolarHBondContact O-N 3.38Å; L102-L106 HydrophobicContact CD1-CD1 3.78Å; L102-L106 HydrophobicContact CD1-CG 4.1Å; L102-L106 HydrophobicContact CG-CD1 4.15Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 2.84Å; L102-T235 HydrophobicContact CD2-CG2 4.17Å; L102-S389 WeakPolarHBondContact CA-OG 3.15Å; L102-S389 WeakPolarHBondContact CD1-OG 3.36Å
103T95Very high94.4Very high0 Ų037.3 Ų37.30%022%0.217CC..Hα-helixtrans-71.3-35.6-172.5620000111.8K12 F39 T100 S107 F116K12-T103 HydrophobicContact CD-CG2 3.65Å; K12-T103 PolarHBondContact NZ-OG1 3.45Å; F39-T103 HydrophobicContact CD1-CG2 4.38Å; F39-T103 HydrophobicContact CE1-CG2 3.8Å; T100-T103 PolarHBondContact N-OG1 2.93Å; T100-T103 PolarHBondContact O-N 2.89Å; T100-T103 PolarHBondContact O-OG1 3.48Å; T100-T103 VanDerWaalsContact O-OG1 3.08Å; T100-T103 VanDerWaalsContact OG1-CG2 3.31Å; T100-T103 WeakPolarHBondContact OG1-CG2 3.15Å; T100-T103 PolarHBondContact OG1-N 3.18Å; T100-T103 PolarHBondContact OG1-OG1 3.3Å; T103-S107 VanDerWaalsContact O-CB 3.3Å; T103-S107 WeakPolarHBondContact O-CB 3.35Å; T103-S107 PolarHBondContact O-N 2.83Å; T103-S107 PolarHBondContact O-OG 3.26Å; T103-S107 VanDerWaalsContact O-OG 3.09Å; T103-F116 HydrophobicContact CG2-CE2 3.96Å; T103-F116 HydrophobicContact CG2-CZ 4.07Å
104R95.1Very high94.3Very high34 Ų3441.5 Ų41.513%0.12824%0.235CC..Hα-helixtrans-62.4-46.7171.2-70-172.8-84.8119.52.9111.4D99 T100 S107 S108 S393 D394 D395 G397 V399D99-R104 WeakPolarHBondContact OD1-CG 3.44Å; D99-R104 IonicContact OD1-NE 3.5Å; D99-R104 WeakPolarHBondContact OD2-CD 3.27Å; D99-R104 IonicContact OD2-NE 2.74Å; D99-R104 PolarHBondContact OD2-NE 2.87Å; T100-R104 PolarHBondContact O-N 2.61Å; R104-S107 PolarHBondContact O-N 3.16Å; R104-S108 PolarHBondContact O-N 2.76Å; R104-S393 PolarHBondContact NH2-O 3.02Å; R104-D394 PolarHBondContact NH2-O 3.06Å; R104-D395 VanDerWaalsContact CZ-O 3.26Å; R104-D395 PolarHBondContact NH1-O 3.36Å; R104-D395 PolarHBondContact NH2-O 2.95Å; R104-G397 PolarHBondContact NH1-O 3.34Å; R104-V399 VanDerWaalsContact C-CG2 3.5Å; R104-V399 HydrophobicContact CB-CG2 3.67Å; R104-V399 WeakPolarHBondContact O-CG2 3.32Å
105F96.3Very high94.3Very high1 Ų139.3 Ų39.30%0.00422%0.224CC..Hα-helixtrans-59.8-49.2179.2-175-108.5000111.6P101 L102 S107 S108 F109 L385 L388 Q392 V399 L402 I508P101-F105 WeakPolarHBondContact O-CB 3.5Å; P101-F105 PolarHBondContact O-N 2.8Å; L102-F105 PolarHBondContact O-N 3.38Å; F105-S107 PolarHBondContact O-N 2.89Å; F105-S108 WeakPolarHBondContact O-CB 3.11Å; F105-S108 PolarHBondContact O-N 2.74Å; F105-S108 PolarHBondContact O-OG 3.28Å; F105-F109 AromaticContact CD1-CE2 3.94Å; F105-F109 HydrophobicContact CD1-CE2 3.94Å; F105-F109 HydrophobicContact CD2-CE2 4.46Å; F105-F109 AromaticContact CE1-CE2 3.68Å; F105-F109 HydrophobicContact CE1-CE2 3.68Å; F105-F109 HydrophobicContact CE1-CZ 4.02Å; F105-F109 HydrophobicContact CE2-CE2 4.23Å; F105-F109 HydrophobicContact CE2-CZ 4.12Å; F105-F109 HydrophobicContact CG-CE2 4.34Å; F105-F109 AromaticContact CZ-CE2 3.84Å; F105-F109 HydrophobicContact CZ-CE2 3.84Å; F105-F109 AromaticContact CZ-CZ 3.72Å; F105-F109 HydrophobicContact CZ-CZ 3.72Å; F105-F109 VanDerWaalsContact O-CD2 3.24Å; F105-F109 WeakPolarHBondContact O-CD2 3.42Å; F105-F109 VanDerWaalsContact O-CE2 3.25Å; F105-F109 WeakPolarHBondContact O-CE2 3.42Å; F105-L385 HydrophobicContact CE1-CB 4.34Å; F105-L385 HydrophobicContact CE1-CD2 4.05Å; F105-L385 WeakPolarHBondContact CE1-O 3.37Å; F105-L388 HydrophobicContact CE1-CB 4.32Å; F105-L388 HydrophobicContact CZ-CB 4.43Å; F105-Q392 HydrophobicContact CB-CG 4.15Å; F105-Q392 HydrophobicContact CD2-CG 3.73Å; F105-Q392 HydrophobicContact CE2-CG 4.47Å; F105-Q392 HydrophobicContact CG-CG 4.17Å; F105-V399 HydrophobicContact CD2-CG1 3.73Å; F105-V399 HydrophobicContact CE2-CG1 4.5Å; F105-L402 HydrophobicContact CE2-CD2 4.21Å; F105-L402 HydrophobicContact CE2-CG 4.5Å; F105-L402 HydrophobicContact CZ-CD2 4.44Å; F105-I508 HydrophobicContact CZ-CD1 3.91Å
106L95.9Very high94.2Very high0 Ų039.1 Ų39.10%022%0.222CC..Hα-helixtrans-61.8-45.7177-65.6177.3000111.4L102 S108 F109 L112 L115 F234 L382 L385L102-L106 HydrophobicContact CD1-CD1 3.78Å; L102-L106 HydrophobicContact CD1-CG 4.1Å; L102-L106 HydrophobicContact CG-CD1 4.15Å; L102-L106 WeakPolarHBondContact O-CG 3.47Å; L102-L106 PolarHBondContact O-N 2.84Å; L106-S108 PolarHBondContact O-N 2.84Å; L106-S108 VanDerWaalsContact O-N 3.15Å; L106-F109 PolarHBondContact O-N 2.83Å; L106-F109 VanDerWaalsContact O-N 3.14Å; L106-L112 HydrophobicContact CD2-CD1 4.03Å; L106-L112 VanDerWaalsContact O-CB 3.3Å; L106-L112 WeakPolarHBondContact O-CB 3.4Å; L106-L115 HydrophobicContact CD1-CD2 3.99Å; L106-F234 HydrophobicContact CD1-CD2 3.78Å; L106-F234 HydrophobicContact CD1-CE2 3.65Å; L106-L382 HydrophobicContact CD2-CD2 4.38Å; L106-L385 HydrophobicContact CD2-CB 3.58Å; L106-L385 HydrophobicContact CD2-CD1 4.19Å
107S94.3Very high94Very high47 Ų4737.9 Ų37.933%0.32922%0.218SC..Hα-helixtrans-67.1-13.1178.9-67.30000114.2T103 R104 F105 F109T103-S107 VanDerWaalsContact O-CB 3.3Å; T103-S107 WeakPolarHBondContact O-CB 3.35Å; T103-S107 PolarHBondContact O-N 2.83Å; T103-S107 PolarHBondContact O-OG 3.26Å; T103-S107 VanDerWaalsContact O-OG 3.09Å; R104-S107 PolarHBondContact O-N 3.16Å; F105-S107 PolarHBondContact O-N 2.89Å; S107-F109 VanDerWaalsContact C-N 3.27Å
108S94.3Very high93.6Very high57 Ų5735.2 Ų35.240%0.39920%0.201SC..THydrogen-bonded Turntrans-73.2-18.7173.9780000113.5R104 F105 L106R104-S108 PolarHBondContact O-N 2.76Å; F105-S108 WeakPolarHBondContact O-CB 3.11Å; F105-S108 PolarHBondContact O-N 2.74Å; F105-S108 PolarHBondContact O-OG 3.28Å; L106-S108 PolarHBondContact O-N 2.84Å; L106-S108 VanDerWaalsContact O-N 3.15Å
109F94.6Very high93.2Very high2 Ų235.1 Ų35.11%0.00920%0.201CC..SBendtrans-88.3131.5174-57.4-77.4000110F105 L106 S107 H111 L112 S113 L385 C507 I508 E511F105-F109 AromaticContact CD1-CE2 3.94Å; F105-F109 HydrophobicContact CD1-CE2 3.94Å; F105-F109 HydrophobicContact CD2-CE2 4.46Å; F105-F109 AromaticContact CE1-CE2 3.68Å; F105-F109 HydrophobicContact CE1-CE2 3.68Å; F105-F109 HydrophobicContact CE1-CZ 4.02Å; F105-F109 HydrophobicContact CE2-CE2 4.23Å; F105-F109 HydrophobicContact CE2-CZ 4.12Å; F105-F109 HydrophobicContact CG-CE2 4.34Å; F105-F109 AromaticContact CZ-CE2 3.84Å; F105-F109 HydrophobicContact CZ-CE2 3.84Å; F105-F109 AromaticContact CZ-CZ 3.72Å; F105-F109 HydrophobicContact CZ-CZ 3.72Å; F105-F109 VanDerWaalsContact O-CD2 3.24Å; F105-F109 WeakPolarHBondContact O-CD2 3.42Å; F105-F109 VanDerWaalsContact O-CE2 3.25Å; F105-F109 WeakPolarHBondContact O-CE2 3.42Å; L106-F109 PolarHBondContact O-N 2.83Å; L106-F109 VanDerWaalsContact O-N 3.14Å; S107-F109 VanDerWaalsContact C-N 3.27Å; F109-H111 VanDerWaalsContact C-N 3.27Å; F109-H111 PolarHBondContact O-N 2.88Å; F109-L112 HydrophobicContact CB-CB 4.28Å; F109-L112 HydrophobicContact CB-CD1 4.31Å; F109-L112 HydrophobicContact CB-CG 4.33Å; F109-L112 HydrophobicContact CD2-CD1 4.32Å; F109-L112 CarbonylContact O-C 3.59Å; F109-L112 PolarHBondContact O-N 3.35Å; F109-S113 PolarHBondContact O-N 3.03Å; F109-L385 HydrophobicContact CE2-CD2 4.04Å; F109-L385 HydrophobicContact CZ-CD2 4.1Å; F109-C507 HydrophobicContact CD1-CB 3.87Å; F109-C507 HydrophobicContact CE1-CB 4.21Å; F109-I508 HydrophobicContact CE1-CD1 4.23Å; F109-I508 HydrophobicContact CZ-CD1 3.77Å; F109-E511 HydrophobicContact CD1-CB 4.03Å
110T92.3Very high92.8Very high108 Ų10836.8 Ų36.866%0.66321%0.214SC*.G310 helixtrans-59.6-38.7-173.157.40000112.4L112 S113 E511T110-L112 VanDerWaalsContact C-N 3.26Å; T110-L112 PolarHBondContact O-N 2.86Å; T110-S113 PolarHBondContact O-OG 3.32Å; T110-E511 PolarHBondContact N-OE2 3.13Å; T110-E511 PolarHBondContact OG1-OE2 3.29Å
111H91.4Very high92.2Very high68 Ų6839.8 Ų39.832%0.31524%0.237SC..G310 helixtrans-77.9-10-179.770.4-81.7000113.3F109 H373 E381 E511F109-H111 VanDerWaalsContact C-N 3.27Å; F109-H111 PolarHBondContact O-N 2.88Å; H111-H373 PolarHBondContact O-CE1 3.08Å; H111-H373 PolarHBondContact O-NE2 3.31Å; H111-E381 IonicContact NE2-OE1 3.23Å; H111-E511 IonicContact CE1-OE1 3.38Å; H111-E511 PolarHBondContact CE1-OE1 3.4Å; H111-E511 IonicContact CG-OE1 3.94Å; H111-E511 IonicContact ND1-OE1 2.8Å; H111-E511 PolarHBondContact ND1-OE1 3.08Å; H111-E511 IonicContact ND1-OE2 3.41Å; H111-E511 PolarHBondContact ND1-OE2 3.33Å
112L94.4Very high91.7Very high2 Ų239.6 Ų39.61%0.0123%0.234CC..G310 helixtrans-116.60.4-180-59179.9000113.4L106 F109 T110 E114 L115 L382 L385L106-L112 HydrophobicContact CD2-CD1 4.03Å; L106-L112 VanDerWaalsContact O-CB 3.3Å; L106-L112 WeakPolarHBondContact O-CB 3.4Å; F109-L112 HydrophobicContact CB-CB 4.28Å; F109-L112 HydrophobicContact CB-CD1 4.31Å; F109-L112 HydrophobicContact CB-CG 4.33Å; F109-L112 HydrophobicContact CD2-CD1 4.32Å; F109-L112 CarbonylContact O-C 3.59Å; F109-L112 PolarHBondContact O-N 3.35Å; T110-L112 VanDerWaalsContact C-N 3.26Å; T110-L112 PolarHBondContact O-N 2.86Å; L112-E114 PolarHBondContact O-N 3.44Å; L112-L115 HydrophobicContact CB-CB 4.48Å; L112-L115 WeakPolarHBondContact O-CB 3.43Å; L112-L115 PolarHBondContact O-N 3.29Å; L112-L382 HydrophobicContact CD1-CD2 4Å; L112-L382 HydrophobicContact CD2-CD2 3.98Å; L112-L385 HydrophobicContact CD1-CD1 3.55Å
113S92.3Very high91.1Very high52 Ų5242.5 Ų42.536%0.36425%0.249SC..THydrogen-bonded Turntrans-55.9-37.2-178.865.50000112F109 T110F109-S113 PolarHBondContact O-N 3.03Å; T110-S113 PolarHBondContact O-OG 3.32Å
114E91.9Very high90.5Very high122 Ų12251.2 Ų51.257%0.5729%0.292SS*.THydrogen-bonded Turntrans-97.116.8179.5-59.7-54.5138.200113.5L112 F116 S117L112-E114 PolarHBondContact O-N 3.44Å; E114-F116 PolarHBondContact O-N 3.44Å; E114-F116 VanDerWaalsContact O-N 3.14Å; E114-S117 WeakPolarHBondContact O-CB 3.38Å; E114-S117 PolarHBondContact O-N 3.38Å; E114-S117 WeakPolarHBondContact OE2-CB 3.47Å; E114-S117 PolarHBondContact OE2-OG 2.88Å
115L94.1Very high89.9Confident0 Ų050 Ų500%029%0.289CS..THydrogen-bonded Turntrans-57.3-33.3-176.8178.362.9000112.9P41 A42 L106 L112 F234 H373 L382P41-L115 CarbonylContact C-O 3.59Å; P41-L115 WeakPolarHBondContact CA-O 3.42Å; P41-L115 HydrophobicContact CB-CD1 4.08Å; P41-L115 HydrophobicContact CB-CG 3.89Å; P41-L115 WeakPolarHBondContact CB-O 3.43Å; A42-L115 PolarHBondContact N-O 3.27Å; L106-L115 HydrophobicContact CD1-CD2 3.99Å; L112-L115 HydrophobicContact CB-CB 4.48Å; L112-L115 WeakPolarHBondContact O-CB 3.43Å; L112-L115 PolarHBondContact O-N 3.29Å; L115-F234 HydrophobicContact CD2-CE2 4.15Å; L115-F234 HydrophobicContact CD2-CZ 3.91Å; L115-H373 HydrophobicContact CD1-CB 4.35Å; L115-L382 HydrophobicContact CD2-CD2 3.87Å
116F93.9Very high89.3Confident16 Ų1651 Ų517%0.0730%0.295CS..THydrogen-bonded Turntrans-95.31.2178.9-68.9-78.2000113.6G11 K12 F39 P41 T103 E114 F234G11-F116 VanDerWaalsContact CA-O 3.23Å; G11-F116 WeakPolarHBondContact CA-O 3.38Å; G11-F116 PolarHBondContact N-O 2.93Å; K12-F116 HydrophobicContact CB-CD1 4.07Å; K12-F116 HydrophobicContact CB-CE1 4.3Å; K12-F116 HydrophobicContact CD-CD2 4.34Å; K12-F116 HydrophobicContact CD-CG 4.38Å; F39-F116 HydrophobicContact CB-CE1 4.12Å; F39-F116 AromaticContact CD1-CE1 3.85Å; F39-F116 HydrophobicContact CD1-CE1 3.85Å; F39-F116 AromaticContact CD1-CZ 3.98Å; F39-F116 HydrophobicContact CD1-CZ 3.98Å; F39-F116 HydrophobicContact CG-CE1 4.49Å; P41-F116 HydrophobicContact CB-CD1 3.85Å; P41-F116 HydrophobicContact CB-CE1 3.84Å; P41-F116 HydrophobicContact CB-CG 4.49Å; P41-F116 HydrophobicContact CB-CZ 4.48Å; P41-F116 HydrophobicContact CG-CE1 4.2Å; T103-F116 HydrophobicContact CG2-CE2 3.96Å; T103-F116 HydrophobicContact CG2-CZ 4.07Å; E114-F116 PolarHBondContact O-N 3.44Å; E114-F116 VanDerWaalsContact O-N 3.14Å; F116-F234 HydrophobicContact CZ-CE2 4.3Å
117S91.1Very high88.7Confident32 Ų3254 Ų5422%0.22431%0.313CS..SBendtrans-87.9159.7176.1-600000110.9E114E114-S117 WeakPolarHBondContact O-CB 3.38Å; E114-S117 PolarHBondContact O-N 3.38Å; E114-S117 WeakPolarHBondContact OE2-CB 3.47Å; E114-S117 PolarHBondContact OE2-OG 2.88Å
118P88.2Confident88Confident21 Ų2157 Ų5714%0.13633%0.325CS..PPolyproline II helixtrans-67.1133.5177.9-17.632.3000110.7R10 E122 L123 T126 I138R10-P118 HydrophobicContact CB-CG 4.15Å; R10-P118 HydrophobicContact CG-CB 4.23Å; R10-P118 HydrophobicContact CG-CG 4.3Å; P118-E122 HydrophobicContact CB-CB 4.3Å; P118-L123 HydrophobicContact CB-CD2 4.46Å; P118-T126 HydrophobicContact CB-CG2 3.55Å; P118-T126 HydrophobicContact CG-CG2 3.46Å; P118-T126 VanDerWaalsContact CG-CG2 3.46Å; P118-I138 HydrophobicContact CG-CB 4.19Å; P118-I138 HydrophobicContact CG-CD1 3.93Å; P118-I138 HydrophobicContact CG-CG2 3.68Å
119P85.8Confident87.1Confident14 Ų1462.2 Ų62.29%0.09135%0.348CS..PPolyproline II helixtrans-63.7159.9173.528.3-34.5000110.8A42 S121 E122 L123A42-P119 HydrophobicContact CB-CB 4.35Å; A42-P119 HydrophobicContact CB-CG 4.39Å; P119-S121 PolarHBondContact O-N 3.1Å; P119-E122 WeakPolarHBondContact CD-OE2 3.34Å; P119-E122 HydrophobicContact CG-CB 4.14Å; P119-E122 VanDerWaalsContact CG-CD 3.45Å; P119-E122 HydrophobicContact CG-CG 3.8Å; P119-E122 WeakPolarHBondContact CG-OE1 3.42Å; P119-E122 PolarHBondContact O-N 3.04Å; P119-L123 PolarHBondContact O-N 2.92Å
120V83.4Confident86.6Confident125 Ų12563.6 Ų63.676%0.75836%0.357SS*.G310 helixtrans-52.1-36.5-177.5178.70000112.6E122 L123V120-E122 PolarHBondContact O-N 2.78Å; V120-L123 HydrophobicContact CB-CD1 4.43Å; V120-L123 HydrophobicContact CG1-CD1 4.39Å; V120-L123 PolarHBondContact O-N 2.77Å
121S80.2Confident86.2Confident95 Ų9564.1 Ų64.166%0.66436%0.362SS*.G310 helixtrans-63.3-23.2177.552.10000114.3P119P119-S121 PolarHBondContact O-N 3.1Å
122E84.4Confident86.1Confident18 Ų1863.1 Ų63.18%0.08436%0.359CS..G310 helixtrans-103-11.1-175.6-65.7175.2-158.300112.7R10 P118 P119 V120 M124 S125 T126 I144R10-E122 IonicContact CZ-OE1 3.58Å; R10-E122 IonicContact CZ-OE2 2.74Å; R10-E122 IonicContact NE-OE1 3.93Å; R10-E122 IonicContact NE-OE2 2.71Å; R10-E122 PolarHBondContact NE-OE2 2.85Å; R10-E122 IonicContact NH2-OE1 3.79Å; R10-E122 PolarHBondContact NH2-OE1 2.52Å; R10-E122 IonicContact NH2-OE2 3.53Å; R10-E122 PolarHBondContact NH2-OE2 3.48Å; P118-E122 HydrophobicContact CB-CB 4.3Å; P119-E122 WeakPolarHBondContact CD-OE2 3.34Å; P119-E122 HydrophobicContact CG-CB 4.14Å; P119-E122 VanDerWaalsContact CG-CD 3.45Å; P119-E122 HydrophobicContact CG-CG 3.8Å; P119-E122 WeakPolarHBondContact CG-OE1 3.42Å; P119-E122 PolarHBondContact O-N 3.04Å; V120-E122 PolarHBondContact O-N 2.78Å; E122-M124 PolarHBondContact O-N 2.91Å; E122-M124 VanDerWaalsContact O-N 3.12Å; E122-S125 WeakPolarHBondContact O-CA 3.19Å; E122-S125 WeakPolarHBondContact O-CB 3.45Å; E122-S125 PolarHBondContact O-N 3.12Å; E122-S125 PolarHBondContact O-OG 2.83Å; E122-T126 PolarHBondContact O-N 2.96Å; E122-I144 HydrophobicContact CB-CD1 4.08Å; E122-I144 HydrophobicContact CG-CD1 3.74Å
123L83.6Confident85.7Confident79 Ų7965.2 Ų65.241%0.41437%0.37SS..G310 helixtrans-55.2-35.1-176.8-69.5174.2000113.9P118 P119 V120 S125 T126P118-L123 HydrophobicContact CB-CD2 4.46Å; P119-L123 PolarHBondContact O-N 2.92Å; V120-L123 HydrophobicContact CB-CD1 4.43Å; V120-L123 HydrophobicContact CG1-CD1 4.39Å; V120-L123 PolarHBondContact O-N 2.77Å; L123-S125 PolarHBondContact O-N 3.28Å; L123-T126 PolarHBondContact O-N 3.29Å; L123-T126 PolarHBondContact O-OG1 2.73Å
124M82.4Confident85.4Confident183 Ų18366.1 Ų66.190%0.90139%0.387SS*.G310 helixtrans-71.4-14.9177.8-63.9-61.399.100113.5E122E122-M124 PolarHBondContact O-N 2.91Å; E122-M124 VanDerWaalsContact O-N 3.12Å
125S82.8Confident85.2Confident9 Ų962.7 Ų62.76%0.06337%0.373CS..G310 helixtrans-101.4-8.5177.775.60000113.1E122 L123 V127 L140 A141 I144E122-S125 WeakPolarHBondContact O-CA 3.19Å; E122-S125 WeakPolarHBondContact O-CB 3.45Å; E122-S125 PolarHBondContact O-N 3.12Å; E122-S125 PolarHBondContact O-OG 2.83Å; L123-S125 PolarHBondContact O-N 3.28Å; S125-V127 PolarHBondContact O-N 3.01Å; S125-L140 CarbonylContact O-C 3.36Å; S125-A141 VanDerWaalsContact O-CB 3.23Å; S125-A141 WeakPolarHBondContact O-CB 3.32Å; S125-A141 PolarHBondContact O-N 3.23Å; S125-I144 VanDerWaalsContact CB-CD1 3.47Å; S125-I144 WeakPolarHBondContact OG-CD1 3.28Å
126T84.5Confident84.9Confident20 Ų2064 Ų6412%0.12339%0.387CS..BIsolated β-bridgetrans-71.2131.8-177.2580000110.2P118 E122 L123 L128 I138 L140P118-T126 HydrophobicContact CB-CG2 3.55Å; P118-T126 HydrophobicContact CG-CG2 3.46Å; P118-T126 VanDerWaalsContact CG-CG2 3.46Å; E122-T126 PolarHBondContact O-N 2.96Å; L123-T126 PolarHBondContact O-N 3.29Å; L123-T126 PolarHBondContact O-OG1 2.73Å; T126-L128 PolarHBondContact O-N 3.37Å; T126-I138 HydrophobicContact CG2-CG2 4.05Å; T126-L140 HydrophobicContact CG2-CD2 3.99Å
127V83.4Confident85Confident65 Ų6563.3 Ų63.339%0.39438%0.383SS..  trans-8898.9170.8-170.80000107.5S125 T130 P139S125-V127 PolarHBondContact O-N 3.01Å; V127-T130 HydrophobicContact CB-CG2 4.33Å; V127-T130 HydrophobicContact CG1-CG2 3.66Å; V127-P139 HydrophobicContact CB-CB 4.25Å; V127-P139 HydrophobicContact CG2-CB 4.48Å; V127-P139 PolarHBondContact N-O 3.28Å
128L78.3Confident85.1Confident110 Ų11063.2 Ų63.258%0.57638%0.38SS*.  trans-80.7168178.4-61.8174.7000111.4T126 T130T126-L128 PolarHBondContact O-N 3.37Å; L128-T130 VanDerWaalsContact C-N 3.26Å; L128-T130 PolarHBondContact O-N 3.09Å
129D75.8Confident85.4Confident165 Ų16562.8 Ų62.888%0.88238%0.377SS*.SBendtrans59.729.3176.2-55.1-38.7000115.5
130T83.6Confident85.6Confident32 Ų3262.7 Ų62.720%0.19638%0.376CS..  trans-92.7151.7170.182.40000110.7V127 L128 L132 N133 P139V127-T130 HydrophobicContact CB-CG2 4.33Å; V127-T130 HydrophobicContact CG1-CG2 3.66Å; L128-T130 VanDerWaalsContact C-N 3.26Å; L128-T130 PolarHBondContact O-N 3.09Å; T130-L132 PolarHBondContact O-N 3.07Å; T130-L132 WeakPolarHBondContact OG1-CB 3.4Å; T130-L132 PolarHBondContact OG1-N 2.78Å; T130-N133 PolarHBondContact N-OD1 2.78Å; T130-N133 WeakPolarHBondContact O-CB 3.47Å; T130-N133 PolarHBondContact O-N 2.94Å; T130-N133 PolarHBondContact O-OD1 2.88Å; T130-N133 PolarHBondContact OG1-OD1 2.85Å; T130-P139 HydrophobicContact CG2-CG 4.49Å
131P84.9Confident85.7Confident118 Ų11858.2 Ų58.277%0.76635%0.353SS*.THydrogen-bonded Turntrans-56-21170.3-25.134.4000113.6N133P131-N133 VanDerWaalsContact C-N 3.32Å
132L88.9Confident85.2Confident47 Ų4759.5 Ų59.525%0.24636%0.362CS..THydrogen-bonded Turntrans-69.8-29.3179.2-56.1177.5000112.2L7 L95 T130 G134 L135 G136 V137 P139L7-L132 HydrophobicContact CD1-CD1 4.45Å; L95-L132 HydrophobicContact CD1-CD2 4.02Å; T130-L132 PolarHBondContact O-N 3.07Å; T130-L132 WeakPolarHBondContact OG1-CB 3.4Å; T130-L132 PolarHBondContact OG1-N 2.78Å; L132-G134 VanDerWaalsContact C-N 3.26Å; L132-G134 PolarHBondContact O-N 3.45Å; L132-L135 HydrophobicContact CD2-CD1 4.23Å; L132-L135 CarbonylContact O-C 3.51Å; L132-L135 WeakPolarHBondContact O-CA 3.36Å; L132-L135 WeakPolarHBondContact O-CB 3.23Å; L132-L135 PolarHBondContact O-N 3.49Å; L132-G136 PolarHBondContact O-N 3.45Å; L132-V137 CarbonylContact C-O 3.6Å; L132-V137 HydrophobicContact CB-CB 4.07Å; L132-V137 HydrophobicContact CB-CG1 4.18Å; L132-V137 WeakPolarHBondContact CB-O 3.35Å; L132-V137 PolarHBondContact O-N 3.5Å; L132-P139 HydrophobicContact CB-CG 4.33Å; L132-P139 HydrophobicContact CD1-CG 3.71Å
133N86.3Confident84.5Confident47 Ų4764.3 Ų64.325%0.25139%0.388SS..G310 helixtrans-60.6-39.8179.2-64.946000110.9T130 P131 L135 G136 V137T130-N133 PolarHBondContact N-OD1 2.78Å; T130-N133 WeakPolarHBondContact O-CB 3.47Å; T130-N133 PolarHBondContact O-N 2.94Å; T130-N133 PolarHBondContact O-OD1 2.88Å; T130-N133 PolarHBondContact OG1-OD1 2.85Å; P131-N133 VanDerWaalsContact C-N 3.32Å; N133-L135 PolarHBondContact O-N 3.19Å; N133-G136 PolarHBondContact O-N 2.93Å; N133-G136 VanDerWaalsContact O-N 3.12Å; N133-V137 WeakPolarHBondContact CA-O 3.4Å; N133-V137 PolarHBondContact N-O 2.65Å
134G84.9Confident84Confident70 Ų7061.9 Ų61.972%0.72238%0.375SS*.G310 helixtrans-67.4-15.5175.200000114.2L132L132-G134 VanDerWaalsContact C-N 3.26Å; L132-G134 PolarHBondContact O-N 3.45Å
135L87.9Confident83.4Confident50 Ų5058 Ų5826%0.26235%0.354SS..G310 helixtrans-95.33.2175.8-55.5173.8000112.5L95 P97 L132 N133L95-L135 HydrophobicContact CB-CD1 4.35Å; P97-L135 HydrophobicContact CG-CD2 3.83Å; L132-L135 HydrophobicContact CD2-CD1 4.23Å; L132-L135 CarbonylContact O-C 3.51Å; L132-L135 WeakPolarHBondContact O-CA 3.36Å; L132-L135 WeakPolarHBondContact O-CB 3.23Å; L132-L135 PolarHBondContact O-N 3.49Å; N133-L135 PolarHBondContact O-N 3.19Å
136G89.4Confident83.4Confident29 Ų2957.8 Ų57.830%0.29935%0.354SS..THydrogen-bonded Turntrans79.119.4-175.400000113.9G11 K12 L132 N133G11-G136 CarbonylContact C-O 3.48Å; G11-G136 WeakPolarHBondContact CA-O 3.22Å; K12-G136 PolarHBondContact N-O 2.94Å; L132-G136 PolarHBondContact O-N 3.45Å; N133-G136 PolarHBondContact O-N 2.93Å; N133-G136 VanDerWaalsContact O-N 3.12Å
137V94.6Very high83.3Confident0 Ų058.8 Ų58.80%036%0.358CS..EExtended strand (participates in β ladder)trans-115.9118.5177.61750000109.2F9 C13 L132 N133 P139F9-V137 HydrophobicContact CB-CG1 3.81Å; F9-V137 HydrophobicContact CD2-CB 4.41Å; F9-V137 HydrophobicContact CD2-CG1 3.76Å; F9-V137 HydrophobicContact CD2-CG2 4.35Å; F9-V137 HydrophobicContact CE2-CG2 4.41Å; F9-V137 HydrophobicContact CG-CG1 3.85Å; C13-V137 HydrophobicContact CB-CG2 3.48Å; C13-V137 VanDerWaalsContact CB-CG2 3.48Å; C13-V137 VanDerWaalsContact SG-CG2 3.53Å; L132-V137 CarbonylContact C-O 3.6Å; L132-V137 HydrophobicContact CB-CB 4.07Å; L132-V137 HydrophobicContact CB-CG1 4.18Å; L132-V137 WeakPolarHBondContact CB-O 3.35Å; L132-V137 PolarHBondContact O-N 3.5Å; N133-V137 WeakPolarHBondContact CA-O 3.4Å; N133-V137 PolarHBondContact N-O 2.65Å; V137-P139 WeakPolarHBondContact O-CD 3.18Å
138I94.4Very high83.3Confident30 Ų3060.3 Ų60.315%0.15436%0.36CS..EExtended strand (participates in β ladder)trans-110.7100.9179.8-58.6165.6000107.9F9 R10 P118 T126F9-I138 CarbonylContact C-O 3.59Å; F9-I138 VanDerWaalsContact CA-O 3.27Å; F9-I138 WeakPolarHBondContact CA-O 3.46Å; F9-I138 WeakPolarHBondContact CB-O 3.39Å; R10-I138 HydrophobicContact CB-CB 4.48Å; R10-I138 PolarHBondContact N-O 3.26Å; R10-I138 PolarHBondContact O-N 3.45Å; P118-I138 HydrophobicContact CG-CB 4.19Å; P118-I138 HydrophobicContact CG-CD1 3.93Å; P118-I138 HydrophobicContact CG-CG2 3.68Å; T126-I138 HydrophobicContact CG2-CG2 4.05Å
139P93Very high83.6Confident12 Ų1257.1 Ų57.18%0.07834%0.343CS..EExtended strand (participates in β ladder)trans-64.9140.4-178.8-17.931.8000110.9L7 V127 T130 L132 V137L7-P139 HydrophobicContact CD1-CB 4.01Å; L7-P139 HydrophobicContact CD1-CG 4.31Å; V127-P139 HydrophobicContact CB-CB 4.25Å; V127-P139 HydrophobicContact CG2-CB 4.48Å; V127-P139 PolarHBondContact N-O 3.28Å; T130-P139 HydrophobicContact CG2-CG 4.49Å; L132-P139 HydrophobicContact CB-CG 4.33Å; L132-P139 HydrophobicContact CD1-CG 3.71Å; V137-P139 WeakPolarHBondContact O-CD 3.18Å
140L90.7Very high84.3Confident12 Ų1249.4 Ų49.46%0.06330%0.301CS..BIsolated β-bridgetrans-99.8144.2172-57.3-179.7000109.5C8 R10 P46 S125 T126 I144C8-L140 PolarHBondContact O-N 3.33Å; R10-L140 HydrophobicContact CG-CD1 4.13Å; R10-L140 HydrophobicContact CG-CD2 4.23Å; R10-L140 HydrophobicContact CG-CG 4.43Å; P46-L140 HydrophobicContact CB-CD1 3.76Å; P46-L140 HydrophobicContact CG-CD1 3.93Å; S125-L140 CarbonylContact O-C 3.36Å; T126-L140 HydrophobicContact CG2-CD2 3.99Å; L140-I144 HydrophobicContact CB-CB 4.19Å; L140-I144 HydrophobicContact CD1-CB 4.34Å; L140-I144 HydrophobicContact CD1-CG2 3.83Å
141A84.7Confident84.7Confident32 Ų3256.8 Ų56.826%0.26433%0.326SS..PPolyproline II helixtrans-60.9155.917700000110.9S125 N143 I144S125-A141 VanDerWaalsContact O-CB 3.23Å; S125-A141 WeakPolarHBondContact O-CB 3.32Å; S125-A141 PolarHBondContact O-N 3.23Å; A141-N143 WeakPolarHBondContact CB-OD1 3.35Å; A141-N143 PolarHBondContact O-N 3.16Å; A141-N143 PolarHBondContact O-OD1 3.35Å; A141-I144 PolarHBondContact O-N 2.95Å
142S69.8Low85Confident122 Ų12252.6 Ų52.685%0.85330%0.299SS*.THydrogen-bonded Turntrans-62.7-11.3-171.657.30000115.3
143N70.7Confident85.3Confident119 Ų11950.4 Ų50.464%0.63629%0.288SS*.THydrogen-bonded Turntrans-81.7-18.4174.865.9-33.8000113.1A141A141-N143 WeakPolarHBondContact CB-OD1 3.35Å; A141-N143 PolarHBondContact O-N 3.16Å; A141-N143 PolarHBondContact O-OD1 3.35Å
144I73.1Confident85.6Confident28 Ų2854.5 Ų54.514%0.14430%0.3CS..SBendtrans-89.4108.9168.7-57.2-153.1000108.3P46 E122 S125 L140 A141P46-I144 HydrophobicContact CG-CG2 4.22Å; E122-I144 HydrophobicContact CB-CD1 4.08Å; E122-I144 HydrophobicContact CG-CD1 3.74Å; S125-I144 VanDerWaalsContact CB-CD1 3.47Å; S125-I144 WeakPolarHBondContact OG-CD1 3.28Å; L140-I144 HydrophobicContact CB-CB 4.19Å; L140-I144 HydrophobicContact CD1-CB 4.34Å; L140-I144 HydrophobicContact CD1-CG2 3.83Å; A141-I144 PolarHBondContact O-N 2.95Å
145E69.6Low86.1Confident100 Ų10055.2 Ų55.247%0.46729%0.287SS..  trans-95.5118.1177.8-61174.5129.600107.2K148E145-K148 HydrophobicContact CB-CD 4.19Å; E145-K148 HydrophobicContact CB-CG 4.46Å; E145-K148 WeakPolarHBondContact OE1-CE 3.47Å; E145-K148 IonicContact OE1-NZ 2.8Å; E145-K148 PolarHBondContact OE1-NZ 3.07Å; E145-K148 WeakPolarHBondContact OE2-CE 3.31Å; E145-K148 IonicContact OE2-NZ 3.16Å; E145-K148 PolarHBondContact OE2-NZ 3.37Å
146G82.1Confident86.5Confident5 Ų553 Ų535%0.05228%0.276CS..  trans-68.7-144.4174.100000112.2K148G146-K148 PolarHBondContact O-N 3.43Å
147L84.1Confident86.7Confident41 Ų4152.2 Ų52.222%0.21527%0.265CS..SBendtrans-61.3104.8-171-176.560.9000113.2M25 C45 T186 I190 F362M25-L147 HydrophobicContact CE-CD2 4.11Å; M25-L147 HydrophobicContact CG-CD2 4.14Å; C45-L147 PolarHBondContact SG-N 3.08Å; L147-T186 HydrophobicContact CD1-CG2 3.44Å; L147-T186 VanDerWaalsContact CD1-CG2 3.44Å; L147-T186 HydrophobicContact CD2-CG2 4.11Å; L147-T186 HydrophobicContact CG-CG2 4.4Å; L147-I190 HydrophobicContact CD2-CD1 3.88Å; L147-I190 HydrophobicContact CD2-CG1 4Å; L147-I190 HydrophobicContact CG-CD1 4.43Å; L147-F362 HydrophobicContact CD1-CB 4.06Å; L147-F362 HydrophobicContact CD1-CD1 3.65Å; L147-F362 HydrophobicContact CD1-CE1 4.48Å; L147-F362 HydrophobicContact CD1-CG 4.22Å
148K81.9Confident86.7Confident98 Ų9855.1 Ų55.143%0.42629%0.285SS..  trans-94.5138.4173.7-79.7-173.4157.9-172.70112.6E145 G146 F362E145-K148 HydrophobicContact CB-CD 4.19Å; E145-K148 HydrophobicContact CB-CG 4.46Å; E145-K148 WeakPolarHBondContact OE1-CE 3.47Å; E145-K148 IonicContact OE1-NZ 2.8Å; E145-K148 PolarHBondContact OE1-NZ 3.07Å; E145-K148 WeakPolarHBondContact OE2-CE 3.31Å; E145-K148 IonicContact OE2-NZ 3.16Å; E145-K148 PolarHBondContact OE2-NZ 3.37Å; G146-K148 PolarHBondContact O-N 3.43Å; K148-F362 VanDerWaalsContact O-CD1 3.24Å; K148-F362 WeakPolarHBondContact O-CD1 3.24Å
149I86.3Confident86.7Confident43 Ų4356.6 Ų56.622%0.22130%0.296CS..  trans-108.2130.7178.5-55.8179000108.3C153 R154 I190I149-C153 HydrophobicContact CG2-CB 3.53Å; I149-C153 VanDerWaalsContact CG2-SG 3.5Å; I149-R154 HydrophobicContact CG2-CG 3.84Å; I149-R154 VanDerWaalsContact O-CZ 3.24Å; I149-R154 PolarHBondContact O-NH1 3.41Å; I149-R154 PolarHBondContact O-NH2 2.83Å; I149-R154 VanDerWaalsContact O-NH2 3.1Å; I149-I190 HydrophobicContact CD1-CD1 3.92Å; I149-I190 HydrophobicContact CD1-CG2 4.03Å; I149-I190 HydrophobicContact CG1-CD1 4.03Å
150S89.6Confident86.7Confident2 Ų256 Ų561%0.01429%0.292CS..  trans-72.6166174.966.70000111.5S152 C153 R154 Q359 E361S150-S152 PolarHBondContact OG-OG 2.83Å; S150-S152 VanDerWaalsContact OG-OG 3.11Å; S150-C153 PolarHBondContact O-N 3.42Å; S150-C153 VanDerWaalsContact OG-CB 3.27Å; S150-C153 WeakPolarHBondContact OG-CB 3.4Å; S150-C153 PolarHBondContact OG-N 3.5Å; S150-R154 PolarHBondContact O-N 3.09Å; S150-R154 VanDerWaalsContact O-N 3.09Å; S150-Q359 WeakPolarHBondContact CB-O 3.43Å; S150-Q359 PolarHBondContact OG-O 2.7Å; S150-E361 WeakPolarHBondContact CB-OE2 3.48Å
151R91.1Very high86.8Confident187 Ų18756 Ų5671%0.70629%0.292SS*.Hα-helixtrans-61.1-46.3174.4-178.1179176.1177.81.9111.6C153 R154 D155R151-C153 VanDerWaalsContact C-N 3.26Å; R151-C153 PolarHBondContact O-N 2.79Å; R151-R154 WeakPolarHBondContact O-CB 3.39Å; R151-R154 PolarHBondContact O-N 3.12Å; R151-R154 VanDerWaalsContact O-N 3.12Å; R151-D155 IonicContact NE-OD2 2.75Å; R151-D155 VanDerWaalsContact O-CG 3.26Å; R151-D155 PolarHBondContact O-N 3.32Å
152S92.9Very high87.1Confident31 Ų3157.8 Ų57.822%0.21730%0.297CS..Hα-helixtrans-60.8-36.1178.354.80000112.5S150 A156 Q359S150-S152 PolarHBondContact OG-OG 2.83Å; S150-S152 VanDerWaalsContact OG-OG 3.11Å; S152-A156 WeakPolarHBondContact O-CB 3.34Å; S152-A156 PolarHBondContact O-N 3.39Å; S152-Q359 PolarHBondContact OG-N 2.91Å; S152-Q359 PolarHBondContact OG-O 3.14Å
153C93.7Very high88Confident0 Ų052.3 Ų52.30%026%0.259CS..Hα-helixtrans-66.1-44.2174.1-173.60000112I149 S150 R151 D155 A156 L157 F187 V358I149-C153 HydrophobicContact CG2-CB 3.53Å; I149-C153 VanDerWaalsContact CG2-SG 3.5Å; S150-C153 PolarHBondContact O-N 3.42Å; S150-C153 VanDerWaalsContact OG-CB 3.27Å; S150-C153 WeakPolarHBondContact OG-CB 3.4Å; S150-C153 PolarHBondContact OG-N 3.5Å; R151-C153 VanDerWaalsContact C-N 3.26Å; R151-C153 PolarHBondContact O-N 2.79Å; C153-D155 PolarHBondContact O-N 2.9Å; C153-A156 PolarHBondContact O-N 2.91Å; C153-L157 WeakPolarHBondContact O-CB 3.43Å; C153-L157 VanDerWaalsContact O-CG 3.28Å; C153-L157 WeakPolarHBondContact O-CG 3.48Å; C153-L157 PolarHBondContact O-N 2.95Å; C153-F187 VanDerWaalsContact SG-CD2 3.58Å; C153-V358 HydrophobicContact CB-CG1 3.7Å
154R93.7Very high88.8Confident134 Ų13447.6 Ų47.651%0.50624%0.235SC..Hα-helixtrans-60.2-44.8173.9-80.8-174.2-79.3-79.1-5.6112.5I149 S150 R151 L157 S158I149-R154 HydrophobicContact CG2-CG 3.84Å; I149-R154 VanDerWaalsContact O-CZ 3.24Å; I149-R154 PolarHBondContact O-NH1 3.41Å; I149-R154 PolarHBondContact O-NH2 2.83Å; I149-R154 VanDerWaalsContact O-NH2 3.1Å; S150-R154 PolarHBondContact O-N 3.09Å; S150-R154 VanDerWaalsContact O-N 3.09Å; R151-R154 WeakPolarHBondContact O-CB 3.39Å; R151-R154 PolarHBondContact O-N 3.12Å; R151-R154 VanDerWaalsContact O-N 3.12Å; R154-L157 PolarHBondContact O-N 3.04Å; R154-S158 WeakPolarHBondContact O-CB 3.27Å; R154-S158 PolarHBondContact O-N 2.87Å
155D95Very high89.4Confident84 Ų8451.8 Ų51.845%0.44925%0.252SS..Hα-helixtrans-63.9-43.8-179.7-63.9-17.7000110.5R151 C153 S158 T159R151-D155 IonicContact NE-OD2 2.75Å; R151-D155 VanDerWaalsContact O-CG 3.26Å; R151-D155 PolarHBondContact O-N 3.32Å; C153-D155 PolarHBondContact O-N 2.9Å; D155-S158 PolarHBondContact O-N 3.22Å; D155-T159 PolarHBondContact O-N 3.08Å; D155-T159 PolarHBondContact O-OG1 2.9Å; D155-T159 VanDerWaalsContact O-OG1 3.1Å
156A95.5Very high89.5Confident5 Ų549.9 Ų49.94%0.04126%0.259CS..Hα-helixtrans-64.7-4317600000112.9S152 C153 T159 V160 F187 L356 V358S152-A156 WeakPolarHBondContact O-CB 3.34Å; S152-A156 PolarHBondContact O-N 3.39Å; C153-A156 PolarHBondContact O-N 2.91Å; A156-T159 PolarHBondContact O-N 3.4Å; A156-V160 WeakPolarHBondContact O-CG2 3.38Å; A156-V160 PolarHBondContact O-N 3.22Å; A156-F187 HydrophobicContact CB-CE2 4.43Å; A156-L356 HydrophobicContact CB-CB 4.34Å; A156-L356 HydrophobicContact CB-CD1 4.26Å; A156-V358 HydrophobicContact CB-CG2 3.41Å; A156-V358 VanDerWaalsContact CB-CG2 3.41Å
157L95.3Very high88.7Confident12 Ų1255.7 Ų55.76%0.06329%0.289CS..Hα-helixtrans-58.5-48.3174.3-75.3168.7000110.7C153 R154 T159 V160 I161 F187 I190 L191C153-L157 WeakPolarHBondContact O-CB 3.43Å; C153-L157 VanDerWaalsContact O-CG 3.28Å; C153-L157 WeakPolarHBondContact O-CG 3.48Å; C153-L157 PolarHBondContact O-N 2.95Å; R154-L157 PolarHBondContact O-N 3.04Å; L157-T159 PolarHBondContact O-N 2.9Å; L157-V160 PolarHBondContact O-N 3.04Å; L157-I161 HydrophobicContact CB-CD1 4.25Å; L157-I161 WeakPolarHBondContact O-CB 3.26Å; L157-I161 VanDerWaalsContact O-CD1 3.27Å; L157-I161 WeakPolarHBondContact O-CD1 3.42Å; L157-I161 WeakPolarHBondContact O-CG1 3.42Å; L157-I161 PolarHBondContact O-N 3.28Å; L157-F187 HydrophobicContact CD2-CE2 3.91Å; L157-F187 HydrophobicContact CD2-CZ 4.07Å; L157-F187 HydrophobicContact CG-CE2 3.95Å; L157-F187 HydrophobicContact CG-CZ 4.46Å; L157-I190 HydrophobicContact CD1-CG2 3.64Å; L157-I190 HydrophobicContact CD2-CG2 4.3Å; L157-L191 HydrophobicContact CD2-CB 3.79Å; L157-L191 HydrophobicContact CD2-CD1 3.83Å; L157-L191 HydrophobicContact CD2-CG 4.39Å
158S94.3Very high88Confident61 Ų6156.2 Ų56.243%0.42729%0.292SS..Hα-helixtrans-56.2-49.7178.3-174.50000111.8R154 D155 V160 I161 N162R154-S158 WeakPolarHBondContact O-CB 3.27Å; R154-S158 PolarHBondContact O-N 2.87Å; D155-S158 PolarHBondContact O-N 3.22Å; S158-V160 PolarHBondContact O-N 2.85Å; S158-I161 PolarHBondContact O-N 3.4Å; S158-N162 WeakPolarHBondContact O-CB 3.31Å; S158-N162 PolarHBondContact O-N 3.38Å; S158-N162 PolarHBondContact O-ND2 3.14Å
159T94.1Very high87.2Confident60 Ų6060.2 Ų60.237%0.36832%0.318SS..Hα-helixtrans-59.1-46.9178.3-58.90000112.1D155 A156 L157 A163 L356D155-T159 PolarHBondContact O-N 3.08Å; D155-T159 PolarHBondContact O-OG1 2.9Å; D155-T159 VanDerWaalsContact O-OG1 3.1Å; A156-T159 PolarHBondContact O-N 3.4Å; L157-T159 PolarHBondContact O-N 2.9Å; T159-A163 PolarHBondContact O-N 3.26Å; T159-A163 VanDerWaalsContact O-N 3.13Å; T159-L356 HydrophobicContact CG2-CD1 4.09Å; T159-L356 HydrophobicContact CG2-CD2 4.13Å
160V93.7Very high86.7Confident0 Ų060.2 Ų60.20%033%0.329CS..Hα-helixtrans-66.3-43179.8170.70000111.6A156 L157 S158 N162 A163 C164 I174 L191 V306 L356A156-V160 WeakPolarHBondContact O-CG2 3.38Å; A156-V160 PolarHBondContact O-N 3.22Å; L157-V160 PolarHBondContact O-N 3.04Å; S158-V160 PolarHBondContact O-N 2.85Å; V160-N162 VanDerWaalsContact C-N 3.35Å; V160-N162 PolarHBondContact O-N 3.23Å; V160-A163 WeakPolarHBondContact O-CB 3.29Å; V160-A163 PolarHBondContact O-N 2.86Å; V160-C164 PolarHBondContact O-N 2.92Å; V160-C164 PolarHBondContact O-SG 3.36Å; V160-I174 HydrophobicContact CG1-CD1 3.87Å; V160-I174 HydrophobicContact CG1-CG1 3.67Å; V160-I174 HydrophobicContact CG1-CG2 4.5Å; V160-I174 HydrophobicContact CG2-CG2 4.49Å; V160-L191 HydrophobicContact CB-CD1 4.28Å; V160-L191 HydrophobicContact CG1-CD1 3.69Å; V160-L191 HydrophobicContact CG1-CD2 4.11Å; V160-V306 HydrophobicContact CG2-CG2 4.3Å; V160-L356 HydrophobicContact CG2-CD1 3.73Å
161I92.8Very high86.5Confident13 Ų1361.3 Ų61.37%0.06734%0.336CS..Hα-helixtrans-64.5-41.6-179.4-69.4159.4000110.7L157 S158 A163 C164 K165 L191 T194 L195L157-I161 HydrophobicContact CB-CD1 4.25Å; L157-I161 WeakPolarHBondContact O-CB 3.26Å; L157-I161 VanDerWaalsContact O-CD1 3.27Å; L157-I161 WeakPolarHBondContact O-CD1 3.42Å; L157-I161 WeakPolarHBondContact O-CG1 3.42Å; L157-I161 PolarHBondContact O-N 3.28Å; S158-I161 PolarHBondContact O-N 3.4Å; I161-A163 VanDerWaalsContact C-N 3.35Å; I161-C164 PolarHBondContact O-N 3.33Å; I161-C164 VanDerWaalsContact O-N 3.15Å; I161-K165 HydrophobicContact CG2-CD 4.13Å; I161-K165 WeakPolarHBondContact O-CG 3.16Å; I161-K165 PolarHBondContact O-N 3.07Å; I161-K165 VanDerWaalsContact O-N 3.08Å; I161-L191 HydrophobicContact CG1-CD1 4.37Å; I161-T194 HydrophobicContact CD1-CG2 3.29Å; I161-T194 HydrophobicContact CG1-CG2 4.38Å; I161-L195 HydrophobicContact CG1-CD2 4.05Å
162N90.8Very high86.5Confident69 Ų6952.6 Ų52.637%0.36930%0.304SS..Hα-helixtrans-63.3-42.6177.1-67.8-16.3000111.2S158 V160 C164 K165 D167S158-N162 WeakPolarHBondContact O-CB 3.31Å; S158-N162 PolarHBondContact O-N 3.38Å; S158-N162 PolarHBondContact O-ND2 3.14Å; V160-N162 VanDerWaalsContact C-N 3.35Å; V160-N162 PolarHBondContact O-N 3.23Å; N162-C164 VanDerWaalsContact C-N 3.3Å; N162-C164 PolarHBondContact O-N 3.12Å; N162-K165 PolarHBondContact O-N 3.03Å; N162-D167 WeakPolarHBondContact CB-OD2 3.42Å
163A88.9Confident86.6Confident6 Ų651.3 Ų51.35%0.0530%0.295CS..Iπ-helixtrans-57.9-40.9171.500000112.6T159 V160 I161 K165 I168 H304T159-A163 PolarHBondContact O-N 3.26Å; T159-A163 VanDerWaalsContact O-N 3.13Å; V160-A163 WeakPolarHBondContact O-CB 3.29Å; V160-A163 PolarHBondContact O-N 2.86Å; I161-A163 VanDerWaalsContact C-N 3.35Å; A163-K165 VanDerWaalsContact C-N 3.26Å; A163-K165 PolarHBondContact O-N 3.31Å; A163-I168 HydrophobicContact CB-CD1 4.44Å; A163-I168 HydrophobicContact CB-CG2 4.25Å; A163-H304 WeakPolarHBondContact CB-CE1 3.33Å
164C87.4Confident86.8Confident21 Ų2151.3 Ų51.314%0.14230%0.295CS..Iπ-helixtrans-69.8-19.8177.4-61.20000113.7V160 I161 N162 A172 L195 P276V160-C164 PolarHBondContact O-N 2.92Å; V160-C164 PolarHBondContact O-SG 3.36Å; I161-C164 PolarHBondContact O-N 3.33Å; I161-C164 VanDerWaalsContact O-N 3.15Å; N162-C164 VanDerWaalsContact C-N 3.3Å; N162-C164 PolarHBondContact O-N 3.12Å; C164-A172 HydrophobicContact CB-CB 4.47Å; C164-A172 WeakPolarHBondContact SG-CB 3.45Å; C164-L195 HydrophobicContact CB-CD2 3.63Å; C164-P276 HydrophobicContact CB-CB 4.29Å
165K84Confident87Confident115 Ų11545 Ų4550%0.527%0.271SS..Iπ-helixtrans-87.5-2.8-178.9-76.2176.6178.7176.90114.4I161 N162 A163 H198I161-K165 HydrophobicContact CG2-CD 4.13Å; I161-K165 WeakPolarHBondContact O-CG 3.16Å; I161-K165 PolarHBondContact O-N 3.07Å; I161-K165 VanDerWaalsContact O-N 3.08Å; N162-K165 PolarHBondContact O-N 3.03Å; A163-K165 VanDerWaalsContact C-N 3.26Å; A163-K165 PolarHBondContact O-N 3.31Å; K165-H198 WeakPolarHBondContact CE-CD2 3.48Å; K165-H198 PolarHBondContact NZ-CD2 2.55Å; K165-H198 PolarHBondContact NZ-CE1 2.65Å; K165-H198 PolarHBondContact NZ-NE2 2.92Å
166G72.6Confident87.1Confident60 Ų6041 Ų4162%0.61925%0.249SC*.Iπ-helixtrans123.610.5174.800000115.9I168G166-I168 PolarHBondContact O-N 3.47Å
167D64.1Low87.2Confident127 Ų12740.7 Ų40.768%0.67925%0.247SC*.Iπ-helixtrans-74.2-2.8176.3-73.9-13.8000113.7N162N162-D167 WeakPolarHBondContact CB-OD2 3.42Å
168I70.2Confident87.1Confident52 Ų5240.1 Ų40.127%0.26724%0.244SC..SBendtrans-129.9147.4-179.765.2175000111.9A163 G166 G170 A172 T303A163-I168 HydrophobicContact CB-CD1 4.44Å; A163-I168 HydrophobicContact CB-CG2 4.25Å; G166-I168 PolarHBondContact O-N 3.47Å; I168-G170 PolarHBondContact O-N 3.47Å; I168-A172 HydrophobicContact CD1-CB 3.82Å; I168-T303 HydrophobicContact CD1-CG2 4.4Å
169D64.3Low87Confident183 Ų18338.6 Ų38.698%0.97923%0.232SC*.SBendtrans-69.795170.7-76.9-29.7000110
170G76.6Confident86.7Confident43 Ų4342.3 Ų42.344%0.44324%0.243SC..SBendtrans111.1-155.3175.500000114.1I168 R273I168-G170 PolarHBondContact O-N 3.47Å; G170-R273 CarbonylContact C-O 3.55Å
171C85.4Confident86.4Confident25 Ų2545.1 Ų45.117%0.16926%0.258CS..  trans-89.5132.2-173.1169.70000111.5V173 R273 I275C171-V173 PolarHBondContact O-N 3.46Å; C171-R273 WeakPolarHBondContact CA-O 3.44Å; C171-R273 WeakPolarHBondContact CB-O 3.49Å; C171-R273 PolarHBondContact N-O 3Å; C171-I275 PolarHBondContact SG-O 2.97Å
172A92.2Very high86.2Confident3 Ų344.7 Ų44.73%0.02526%0.256CS..  trans-69.3119.3170.400000110.3C164 I168 I174 P276 V277C164-A172 HydrophobicContact CB-CB 4.47Å; C164-A172 WeakPolarHBondContact SG-CB 3.45Å; I168-A172 HydrophobicContact CD1-CB 3.82Å; A172-I174 HydrophobicContact CB-CD1 3.9Å; A172-P276 WeakPolarHBondContact O-CA 3.35Å; A172-V277 PolarHBondContact O-N 2.82Å
173V94.7Very high86.2Confident5 Ų542 Ų423%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-113.2112.8173.2-177.80000108.3C171 W266 V277 I279 P301 V302 T303 H304C171-V173 PolarHBondContact O-N 3.46Å; V173-W266 HydrophobicContact CG1-CH2 3.78Å; V173-W266 HydrophobicContact CG1-CZ3 4.18Å; V173-W266 HydrophobicContact CG2-CH2 3.86Å; V173-W266 HydrophobicContact CG2-CZ2 4.5Å; V173-V277 WeakPolarHBondContact CA-O 3.46Å; V173-V277 HydrophobicContact CG1-CB 4.36Å; V173-V277 HydrophobicContact CG2-CB 4.29Å; V173-V277 HydrophobicContact CG2-CG2 4.27Å; V173-I279 HydrophobicContact CG1-CD1 3.6Å; V173-I279 HydrophobicContact CG1-CG1 4.4Å; V173-P301 VanDerWaalsContact CB-O 3.31Å; V173-P301 WeakPolarHBondContact CB-O 3.41Å; V173-P301 HydrophobicContact CG2-CG 4.39Å; V173-P301 WeakPolarHBondContact CG2-O 3.3Å; V173-V302 HydrophobicContact CG1-CG2 4.47Å; V173-T303 PolarHBondContact N-OG1 3.18Å; V173-T303 PolarHBondContact O-N 3.43Å; V173-T303 PolarHBondContact O-OG1 3.45Å; V173-H304 PolarHBondContact O-N 3.12Å
174I97.4Very high86.5Confident0 Ų042.4 Ų42.40%025%0.246CC..EExtended strand (participates in β ladder)trans-112.6112.2-170-55.7104.4000109.7V160 A172 V176 L191 V277 I278 I279 H304 V306V160-I174 HydrophobicContact CG1-CD1 3.87Å; V160-I174 HydrophobicContact CG1-CG1 3.67Å; V160-I174 HydrophobicContact CG1-CG2 4.5Å; V160-I174 HydrophobicContact CG2-CG2 4.49Å; A172-I174 HydrophobicContact CB-CD1 3.9Å; I174-V176 HydrophobicContact CG2-CG2 4.22Å; I174-L191 HydrophobicContact CG2-CD2 4.26Å; I174-V277 WeakPolarHBondContact CD1-O 3.47Å; I174-V277 PolarHBondContact N-O 2.97Å; I174-I278 HydrophobicContact CD1-CG1 4.49Å; I174-I278 CarbonylContact O-C 3.55Å; I174-I278 WeakPolarHBondContact O-CA 3.31Å; I174-I279 PolarHBondContact O-N 2.79Å; I174-H304 CarbonylContact C-O 3.47Å; I174-H304 WeakPolarHBondContact CA-O 3.31Å; I174-H304 HydrophobicContact CB-CB 4.44Å; I174-H304 HydrophobicContact CG1-CB 4.02Å; I174-H304 HydrophobicContact CG2-CB 4.32Å; I174-V306 HydrophobicContact CG2-CG2 3.84Å
175L98Very high86.8Confident0 Ų042.5 Ų42.50%025%0.247CC..EExtended strand (participates in β ladder)trans-96.5124.9174-174.7149.8000110.1Y177 I279 T281 L296 I297 V302 H304 V305 V306L175-Y177 HydrophobicContact CD2-CD1 4.14Å; L175-Y177 HydrophobicContact CD2-CG 4.44Å; L175-I279 HydrophobicContact CB-CB 4.38Å; L175-I279 HydrophobicContact CB-CD1 4.43Å; L175-I279 HydrophobicContact CD1-CG2 4.39Å; L175-I279 HydrophobicContact CG-CB 4.43Å; L175-I279 HydrophobicContact CG-CG2 4.41Å; L175-T281 HydrophobicContact CD1-CG2 4.26Å; L175-T281 HydrophobicContact CD2-CG2 4.08Å; L175-T281 HydrophobicContact CG-CG2 3.96Å; L175-L296 HydrophobicContact CD1-CB 4.12Å; L175-I297 HydrophobicContact CD1-CG1 4.04Å; L175-V302 HydrophobicContact CB-CG1 3.88Å; L175-V302 HydrophobicContact CB-CG2 4.25Å; L175-V302 HydrophobicContact CD1-CG2 4.22Å; L175-H304 PolarHBondContact N-O 3.22Å; L175-V305 CarbonylContact O-C 3.6Å; L175-V305 WeakPolarHBondContact O-CA 3.12Å; L175-V306 PolarHBondContact O-N 3.21Å
176V97.8Very high87.3Confident0 Ų038.4 Ų38.40%023%0.231CC..EExtended strand (participates in β ladder)trans-109.8124.8-179.7-175.60000109.5I174 K184 F187 I188 I278 I279 T281 V306 L308I174-V176 HydrophobicContact CG2-CG2 4.22Å; V176-K184 HydrophobicContact CG1-CB 4.38Å; V176-K184 HydrophobicContact CG1-CG 4.49Å; V176-F187 HydrophobicContact CG1-CD1 4.18Å; V176-F187 HydrophobicContact CG2-CD1 4.21Å; V176-F187 HydrophobicContact CG2-CE1 4.19Å; V176-I188 HydrophobicContact CB-CD1 4.04Å; V176-I188 HydrophobicContact CB-CG1 4.1Å; V176-I188 HydrophobicContact CG1-CD1 4.24Å; V176-I188 HydrophobicContact CG1-CG1 4.15Å; V176-I188 HydrophobicContact CG2-CD1 4.31Å; V176-I188 HydrophobicContact CG2-CG1 3.91Å; V176-I278 HydrophobicContact CG2-CG2 4.46Å; V176-I279 PolarHBondContact N-O 3.15Å; V176-T281 PolarHBondContact O-OG1 3.25Å; V176-V306 WeakPolarHBondContact CA-O 3.4Å; V176-V306 HydrophobicContact CG2-CB 4.32Å; V176-L308 HydrophobicContact CG1-CD1 3.39Å
177Y95.8Very high88.5Confident0 Ų035.5 Ų35.50%020%0.202CC..EExtended strand (participates in β ladder)trans-142.1165.4-179.783.7-73.8000113L175 T281 V285 L293 V305 V306 Q307 L308 C316 S317 L319 H355L175-Y177 HydrophobicContact CD2-CD1 4.14Å; L175-Y177 HydrophobicContact CD2-CG 4.44Å; Y177-T281 WeakPolarHBondContact CA-OG1 3.15Å; Y177-T281 WeakPolarHBondContact CB-OG1 3.24Å; Y177-V285 HydrophobicContact CD2-CG1 4.32Å; Y177-L293 HydrophobicContact CD2-CD1 3.7Å; Y177-L293 HydrophobicContact CE2-CD1 4.45Å; Y177-L293 HydrophobicContact CG-CD1 4.28Å; Y177-L293 HydrophobicContact CG-CD2 4.48Å; Y177-V305 HydrophobicContact CD1-CG1 3.78Å; Y177-V305 HydrophobicContact CE1-CG1 3.37Å; Y177-V306 PolarHBondContact N-O 2.72Å; Y177-Q307 HydrophobicContact CD1-CB 4.33Å; Y177-Q307 HydrophobicContact CE1-CB 3.54Å; Y177-Q307 HydrophobicContact CE1-CG 3.97Å; Y177-Q307 HydrophobicContact CE2-CG 4.09Å; Y177-Q307 WeakPolarHBondContact O-CA 3.39Å; Y177-Q307 VanDerWaalsContact OH-CD 3.28Å; Y177-Q307 PolarHBondContact OH-OE1 2.9Å; Y177-Q307 VanDerWaalsContact OH-OE1 3.12Å; Y177-L308 PolarHBondContact O-N 3.46Å; Y177-C316 VanDerWaalsContact CE2-SG 3.56Å; Y177-S317 PolarHBondContact OH-O 3.22Å; Y177-L319 HydrophobicContact CD2-CD1 4.21Å; Y177-L319 HydrophobicContact CE1-CD1 4.24Å; Y177-L319 HydrophobicContact CE2-CD1 3.73Å; Y177-L319 HydrophobicContact CE2-CG 4.25Å; Y177-L319 PolarHBondContact OH-N 2.89Å; Y177-H355 PolarHBondContact OH-NE2 2.87Å
178G94.1Very high90.1Very high0 Ų029.5 Ų29.50%017%0.169CC..  trans153.8163.7-17600000111.9K184 G283G178-K184 PolarHBondContact O-NZ 3.49Å; G178-G283 WeakPolarHBondContact O-CA 3.46Å
179V91.2Very high91.4Very high29 Ų2927.9 Ų27.918%0.17616%0.16CC..SBendtrans-58.2165.1-179.5-62.10000111.8V182 K184 V285 Q315V179-V182 HydrophobicContact CB-CG1 4.44Å; V179-V182 HydrophobicContact CG2-CG1 3.27Å; V179-V182 VanDerWaalsContact O-CG2 3.3Å; V179-V182 WeakPolarHBondContact O-CG2 3.22Å; V179-K184 PolarHBondContact O-NZ 3.25Å; V179-K184 VanDerWaalsContact O-NZ 3.15Å; V179-V285 HydrophobicContact CB-CG2 4.5Å; V179-V285 HydrophobicContact CG1-CG1 4.44Å; V179-V285 HydrophobicContact CG1-CG2 3.36Å; V179-Q315 HydrophobicContact CG1-CB 4.07Å
180K88.9Confident92.9Very high137 Ų13719.2 Ų19.260%0.59611%0.114SC*.THydrogen-bonded Turntrans-56.6145.1172.8-63.5-179.7-178.2178.20110V182K180-V182 VanDerWaalsContact C-N 3.35Å; K180-V182 PolarHBondContact O-N 3.39Å
181N86.3Confident93.9Very high59 Ų5917.1 Ų17.132%0.3169%0.092SC..THydrogen-bonded Turntrans65.621173.7-55.5-26.5000117.4V365 A366 Q368N181-V365 WeakPolarHBondContact O-CG1 3.41Å; N181-A366 PolarHBondContact O-N 3.03Å; N181-Q368 WeakPolarHBondContact ND2-CB 3.39Å; N181-Q368 PolarHBondContact ND2-OE1 2.97Å; N181-Q368 PolarHBondContact OD1-OE1 2.81Å
182V89.6Confident94.5Very high4 Ų416 Ų162%0.0248%0.084CC..SBendtrans-87.1-4.4170.8-59.80000114.4V179 K180 K184 L308 H310 S360V179-V182 HydrophobicContact CB-CG1 4.44Å; V179-V182 HydrophobicContact CG2-CG1 3.27Å; V179-V182 VanDerWaalsContact O-CG2 3.3Å; V179-V182 WeakPolarHBondContact O-CG2 3.22Å; K180-V182 VanDerWaalsContact C-N 3.35Å; K180-V182 PolarHBondContact O-N 3.39Å; V182-K184 HydrophobicContact CG2-CG 3.79Å; V182-L308 HydrophobicContact CB-CB 4.19Å; V182-L308 HydrophobicContact CG2-CB 3.49Å; V182-L308 VanDerWaalsContact CG2-CB 3.49Å; V182-L308 HydrophobicContact CG2-CD2 4.36Å; V182-H310 HydrophobicContact CG1-CB 4.26Å; V182-S360 WeakPolarHBondContact O-CB 3.4Å; V182-S360 PolarHBondContact O-OG 2.7Å
183G91.3Very high94.8Very high13 Ų1315.8 Ų15.813%0.1348%0.083CC..SBendtrans92.827.2-179.500000115.5S185 T186 F187 L308G183-S185 PolarHBondContact O-N 3.25Å; G183-T186 WeakPolarHBondContact O-CB 3.33Å; G183-T186 PolarHBondContact O-N 2.93Å; G183-T186 VanDerWaalsContact O-N 3.15Å; G183-F187 PolarHBondContact O-N 2.93Å; G183-L308 VanDerWaalsContact C-CD2 3.47Å; G183-L308 WeakPolarHBondContact O-CD2 3.48Å
184K94.2Very high94.9Very high14 Ų1416.7 Ų16.76%0.0619%0.089CC..Hα-helixtrans-54.1-54176.3-63.3-168.2-62.1-71.10112.2V176 G178 V179 V182 T186 F187 I188 T281 L308V176-K184 HydrophobicContact CG1-CB 4.38Å; V176-K184 HydrophobicContact CG1-CG 4.49Å; G178-K184 PolarHBondContact O-NZ 3.49Å; V179-K184 PolarHBondContact O-NZ 3.25Å; V179-K184 VanDerWaalsContact O-NZ 3.15Å; V182-K184 HydrophobicContact CG2-CG 3.79Å; K184-T186 PolarHBondContact O-N 3.08Å; K184-F187 PolarHBondContact O-N 2.97Å; K184-F187 VanDerWaalsContact O-N 3.17Å; K184-I188 WeakPolarHBondContact O-CB 3.34Å; K184-I188 WeakPolarHBondContact O-CG1 3.43Å; K184-I188 PolarHBondContact O-N 3.24Å; K184-T281 VanDerWaalsContact CE-O 3.25Å; K184-T281 WeakPolarHBondContact CE-O 3.38Å; K184-L308 HydrophobicContact CG-CB 4.48Å; K184-L308 HydrophobicContact CG-CD1 4.45Å; K184-L308 HydrophobicContact CG-CD2 4.37Å
185S94.7Very high94.8Very high23 Ų2316.8 Ų16.816%0.1619%0.089CC..Hα-helixtrans-63.1-28.8179.2-38.30000112.3G183 R189G183-S185 PolarHBondContact O-N 3.25Å; S185-R189 WeakPolarHBondContact O-CB 3.38Å; S185-R189 WeakPolarHBondContact O-CG 3.49Å; S185-R189 PolarHBondContact O-N 3.45Å; S185-R189 PolarHBondContact O-NE 3.25Å; S185-R189 VanDerWaalsContact O-NE 3.11Å
186T94.6Very high94.7Very high29 Ų2917.8 Ų17.818%0.17810%0.095CC..Hα-helixtrans-70-48.3174.1-56.40000111.2L147 G183 K184 I188 R189 I190 F362L147-T186 HydrophobicContact CD1-CG2 3.44Å; L147-T186 VanDerWaalsContact CD1-CG2 3.44Å; L147-T186 HydrophobicContact CD2-CG2 4.11Å; L147-T186 HydrophobicContact CG-CG2 4.4Å; G183-T186 WeakPolarHBondContact O-CB 3.33Å; G183-T186 PolarHBondContact O-N 2.93Å; G183-T186 VanDerWaalsContact O-N 3.15Å; K184-T186 PolarHBondContact O-N 3.08Å; T186-I188 PolarHBondContact O-N 3.15Å; T186-R189 PolarHBondContact O-N 3.39Å; T186-I190 HydrophobicContact CG2-CD1 4.13Å; T186-I190 VanDerWaalsContact O-CG1 3.31Å; T186-I190 WeakPolarHBondContact O-CG1 3.33Å; T186-I190 PolarHBondContact O-N 3.3Å; T186-F362 HydrophobicContact CG2-CD1 3.8Å; T186-F362 HydrophobicContact CG2-CD2 4.26Å; T186-F362 HydrophobicContact CG2-CE1 3.94Å; T186-F362 HydrophobicContact CG2-CE2 4.39Å; T186-F362 HydrophobicContact CG2-CG 3.97Å; T186-F362 HydrophobicContact CG2-CZ 4.23Å
187F96.6Very high94.6Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-59.3-46.5175.2175.9-90.9000111.8C153 A156 L157 V176 G183 K184 R189 I190 L191 V306 L308 V358 F362C153-F187 VanDerWaalsContact SG-CD2 3.58Å; A156-F187 HydrophobicContact CB-CE2 4.43Å; L157-F187 HydrophobicContact CD2-CE2 3.91Å; L157-F187 HydrophobicContact CD2-CZ 4.07Å; L157-F187 HydrophobicContact CG-CE2 3.95Å; L157-F187 HydrophobicContact CG-CZ 4.46Å; V176-F187 HydrophobicContact CG1-CD1 4.18Å; V176-F187 HydrophobicContact CG2-CD1 4.21Å; V176-F187 HydrophobicContact CG2-CE1 4.19Å; G183-F187 PolarHBondContact O-N 2.93Å; K184-F187 PolarHBondContact O-N 2.97Å; K184-F187 VanDerWaalsContact O-N 3.17Å; F187-R189 PolarHBondContact O-N 2.96Å; F187-I190 PolarHBondContact O-N 2.77Å; F187-L191 HydrophobicContact CE1-CB 4.42Å; F187-L191 HydrophobicContact CE1-CD2 4Å; F187-L191 WeakPolarHBondContact O-CB 3.38Å; F187-L191 PolarHBondContact O-N 3.03Å; F187-V306 HydrophobicContact CD1-CG1 4.42Å; F187-V306 HydrophobicContact CE1-CB 4.27Å; F187-V306 HydrophobicContact CE1-CG1 3.81Å; F187-V306 HydrophobicContact CE1-CG2 4.22Å; F187-V306 HydrophobicContact CE2-CG1 4.35Å; F187-V306 HydrophobicContact CZ-CG1 3.78Å; F187-V306 HydrophobicContact CZ-CG2 4.3Å; F187-L308 HydrophobicContact CB-CD1 4.4Å; F187-L308 HydrophobicContact CB-CD2 3.82Å; F187-L308 HydrophobicContact CD1-CD1 4.36Å; F187-L308 HydrophobicContact CG-CD1 4.32Å; F187-L308 HydrophobicContact CG-CD2 4.46Å; F187-V358 HydrophobicContact CE2-CG2 4.14Å; F187-F362 HydrophobicContact CB-CZ 4.24Å
188I97.8Very high94.3Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-58.4-47.7178.1-74.6171.9000111.1V176 K184 T186 I190 L191 I192 Y204 I278 N280V176-I188 HydrophobicContact CB-CD1 4.04Å; V176-I188 HydrophobicContact CB-CG1 4.1Å; V176-I188 HydrophobicContact CG1-CD1 4.24Å; V176-I188 HydrophobicContact CG1-CG1 4.15Å; V176-I188 HydrophobicContact CG2-CD1 4.31Å; V176-I188 HydrophobicContact CG2-CG1 3.91Å; K184-I188 WeakPolarHBondContact O-CB 3.34Å; K184-I188 WeakPolarHBondContact O-CG1 3.43Å; K184-I188 PolarHBondContact O-N 3.24Å; T186-I188 PolarHBondContact O-N 3.15Å; I188-I190 PolarHBondContact O-N 3.17Å; I188-L191 PolarHBondContact O-N 2.81Å; I188-I192 HydrophobicContact CG2-CD1 3.8Å; I188-I192 HydrophobicContact CG2-CG1 4.46Å; I188-I192 WeakPolarHBondContact O-CG1 3.34Å; I188-I192 PolarHBondContact O-N 3.48Å; I188-Y204 HydrophobicContact CG2-CD2 4.42Å; I188-Y204 HydrophobicContact CG2-CE2 3.63Å; I188-I278 HydrophobicContact CG1-CG2 4.14Å; I188-I278 HydrophobicContact CG2-CG2 4.18Å; I188-N280 HydrophobicContact CD1-CB 3.77Å; I188-N280 VanDerWaalsContact CD1-OD1 3.29Å; I188-N280 WeakPolarHBondContact CD1-OD1 3.23Å
189R97.5Very high94.1Very high18 Ų1826.8 Ų26.87%0.06814%0.14CC..Hα-helixtrans-61.2-45177.7-79.4179.8-73.2171.9-5.8112.1M25 S185 T186 F187 L191 I192 N193 E213 L229 G231M25-R189 HydrophobicContact CE-CB 4.12Å; S185-R189 WeakPolarHBondContact O-CB 3.38Å; S185-R189 WeakPolarHBondContact O-CG 3.49Å; S185-R189 PolarHBondContact O-N 3.45Å; S185-R189 PolarHBondContact O-NE 3.25Å; S185-R189 VanDerWaalsContact O-NE 3.11Å; T186-R189 PolarHBondContact O-N 3.39Å; F187-R189 PolarHBondContact O-N 2.96Å; R189-L191 VanDerWaalsContact C-N 3.31Å; R189-L191 PolarHBondContact O-N 3.38Å; R189-I192 PolarHBondContact O-N 2.86Å; R189-N193 VanDerWaalsContact O-CB 3.23Å; R189-N193 WeakPolarHBondContact O-CB 3.49Å; R189-N193 PolarHBondContact O-N 3.27Å; R189-N193 PolarHBondContact O-ND2 2.85Å; R189-E213 WeakPolarHBondContact CD-OE1 3.46Å; R189-L229 HydrophobicContact CG-CB 4.09Å; R189-L229 HydrophobicContact CG-CD1 3.79Å; R189-G231 PolarHBondContact NH1-O 3.22Å
190I96.7Very high94.1Very high1 Ų129.8 Ų29.81%0.00516%0.162CC..Hα-helixtrans-60.7-43.5175-63162000110.4L147 I149 L157 T186 F187 I188 N193 T194 F362L147-I190 HydrophobicContact CD2-CD1 3.88Å; L147-I190 HydrophobicContact CD2-CG1 4Å; L147-I190 HydrophobicContact CG-CD1 4.43Å; I149-I190 HydrophobicContact CD1-CD1 3.92Å; I149-I190 HydrophobicContact CD1-CG2 4.03Å; I149-I190 HydrophobicContact CG1-CD1 4.03Å; L157-I190 HydrophobicContact CD1-CG2 3.64Å; L157-I190 HydrophobicContact CD2-CG2 4.3Å; T186-I190 HydrophobicContact CG2-CD1 4.13Å; T186-I190 VanDerWaalsContact O-CG1 3.31Å; T186-I190 WeakPolarHBondContact O-CG1 3.33Å; T186-I190 PolarHBondContact O-N 3.3Å; F187-I190 PolarHBondContact O-N 2.77Å; I188-I190 PolarHBondContact O-N 3.17Å; I190-N193 PolarHBondContact O-N 2.81Å; I190-T194 WeakPolarHBondContact O-CB 3.29Å; I190-T194 PolarHBondContact O-N 2.84Å; I190-T194 PolarHBondContact O-OG1 3.09Å; I190-F362 HydrophobicContact CD1-CE1 3.82Å
191L97.7Very high94.3Very high0 Ų025 Ų250%014%0.144CC..Hα-helixtrans-62.8-49179.8176.861000111.4L157 V160 I161 I174 F187 I188 R189 N193 T194 L195 I278L157-L191 HydrophobicContact CD2-CB 3.79Å; L157-L191 HydrophobicContact CD2-CD1 3.83Å; L157-L191 HydrophobicContact CD2-CG 4.39Å; V160-L191 HydrophobicContact CB-CD1 4.28Å; V160-L191 HydrophobicContact CG1-CD1 3.69Å; V160-L191 HydrophobicContact CG1-CD2 4.11Å; I161-L191 HydrophobicContact CG1-CD1 4.37Å; I174-L191 HydrophobicContact CG2-CD2 4.26Å; F187-L191 HydrophobicContact CE1-CB 4.42Å; F187-L191 HydrophobicContact CE1-CD2 4Å; F187-L191 WeakPolarHBondContact O-CB 3.38Å; F187-L191 PolarHBondContact O-N 3.03Å; I188-L191 PolarHBondContact O-N 2.81Å; R189-L191 VanDerWaalsContact C-N 3.31Å; R189-L191 PolarHBondContact O-N 3.38Å; L191-N193 PolarHBondContact O-N 3.38Å; L191-T194 PolarHBondContact O-N 3.21Å; L191-L195 HydrophobicContact CD1-CD1 3.98Å; L191-L195 HydrophobicContact CD1-CG 4.06Å; L191-L195 HydrophobicContact CG-CD1 4.02Å; L191-L195 HydrophobicContact CG-CG 4.49Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 VanDerWaalsContact O-CG 3.29Å; L191-L195 WeakPolarHBondContact O-CG 3.39Å; L191-L195 PolarHBondContact O-N 3.24Å; L191-I278 HydrophobicContact CB-CD1 4.43Å; L191-I278 HydrophobicContact CD2-CD1 3.69Å; L191-I278 HydrophobicContact CD2-CG1 4.01Å; L191-I278 HydrophobicContact CG-CD1 3.8Å
192I97.9Very high94.7Very high0 Ų022.2 Ų22.20%013%0.129CC..Hα-helixtrans-55.8-53.6175.4-71.7170.3000109.9I188 R189 T194 L195 L196 V202 Y204 V225 L229 I278I188-I192 HydrophobicContact CG2-CD1 3.8Å; I188-I192 HydrophobicContact CG2-CG1 4.46Å; I188-I192 WeakPolarHBondContact O-CG1 3.34Å; I188-I192 PolarHBondContact O-N 3.48Å; R189-I192 PolarHBondContact O-N 2.86Å; I192-T194 VanDerWaalsContact C-N 3.27Å; I192-T194 PolarHBondContact O-N 2.87Å; I192-L195 PolarHBondContact O-N 3.41Å; I192-L196 HydrophobicContact CG2-CD1 3.85Å; I192-L196 HydrophobicContact CG2-CG 4.38Å; I192-L196 WeakPolarHBondContact O-CG 3.37Å; I192-L196 PolarHBondContact O-N 3.06Å; I192-V202 HydrophobicContact CG1-CG1 4.44Å; I192-Y204 HydrophobicContact CD1-CD2 4.02Å; I192-Y204 HydrophobicContact CD1-CE2 4.36Å; I192-V225 HydrophobicContact CG2-CB 4.46Å; I192-V225 HydrophobicContact CG2-CG1 3.87Å; I192-L229 HydrophobicContact CB-CD1 4.29Å; I192-L229 HydrophobicContact CD1-CD1 3.68Å; I192-L229 HydrophobicContact CG2-CD1 4.02Å; I192-L229 HydrophobicContact CG2-CG 4.16Å; I192-I278 HydrophobicContact CD1-CD1 4.34Å; I192-I278 HydrophobicContact CG1-CD1 3.44Å; I192-I278 VanDerWaalsContact CG1-CD1 3.44Å
193N97.9Very high95Very high0 Ų022.2 Ų22.20%013%0.129CC..Hα-helixtrans-57.7-40.9179.9-74.9-6.5000112.2M25 F27 R189 I190 L191 L196 P228 L229M25-N193 VanDerWaalsContact O-CB 3.22Å; M25-N193 WeakPolarHBondContact O-CB 3.42Å; M25-N193 PolarHBondContact O-ND2 3.23Å; M25-N193 VanDerWaalsContact O-ND2 3.09Å; F27-N193 HydrophobicContact CB-CB 3.91Å; F27-N193 WeakPolarHBondContact CD2-O 3.34Å; R189-N193 VanDerWaalsContact O-CB 3.23Å; R189-N193 WeakPolarHBondContact O-CB 3.49Å; R189-N193 PolarHBondContact O-N 3.27Å; R189-N193 PolarHBondContact O-ND2 2.85Å; I190-N193 PolarHBondContact O-N 2.81Å; L191-N193 PolarHBondContact O-N 3.38Å; N193-L196 PolarHBondContact O-N 3.05Å; N193-P228 WeakPolarHBondContact OD1-CA 3.46Å; N193-L229 PolarHBondContact ND2-O 3.19Å; N193-L229 PolarHBondContact OD1-N 3.12Å
194T96.8Very high95.3Very high24 Ų2421.6 Ų21.615%0.14712%0.122CC..Hα-helixtrans-71.6-37.5180-46.40000111.9G26 I161 I190 L191 I192 N197G26-T194 WeakPolarHBondContact O-CA 3.33Å; I161-T194 HydrophobicContact CD1-CG2 3.29Å; I161-T194 HydrophobicContact CG1-CG2 4.38Å; I190-T194 WeakPolarHBondContact O-CB 3.29Å; I190-T194 PolarHBondContact O-N 2.84Å; I190-T194 PolarHBondContact O-OG1 3.09Å; L191-T194 PolarHBondContact O-N 3.21Å; I192-T194 VanDerWaalsContact C-N 3.27Å; I192-T194 PolarHBondContact O-N 2.87Å; T194-N197 WeakPolarHBondContact CA-ND2 3.35Å; T194-N197 WeakPolarHBondContact O-CB 3.22Å; T194-N197 PolarHBondContact O-N 3.11Å; T194-N197 PolarHBondContact O-ND2 2.87Å
195L95.9Very high95.5Very high2 Ų221 Ų211%0.0112%0.119CC..Hα-helixtrans-65.2-39.4175.2-73.4171.9000111.8I161 C164 L191 I192 N197 H198 T199 V202 P276 I278I161-L195 HydrophobicContact CG1-CD2 4.05Å; C164-L195 HydrophobicContact CB-CD2 3.63Å; L191-L195 HydrophobicContact CD1-CD1 3.98Å; L191-L195 HydrophobicContact CD1-CG 4.06Å; L191-L195 HydrophobicContact CG-CD1 4.02Å; L191-L195 HydrophobicContact CG-CG 4.49Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 VanDerWaalsContact O-CG 3.29Å; L191-L195 WeakPolarHBondContact O-CG 3.39Å; L191-L195 PolarHBondContact O-N 3.24Å; I192-L195 PolarHBondContact O-N 3.41Å; L195-N197 PolarHBondContact O-N 3.48Å; L195-N197 VanDerWaalsContact O-N 3.11Å; L195-H198 CarbonylContact O-C 3.6Å; L195-H198 WeakPolarHBondContact O-CA 3.37Å; L195-H198 PolarHBondContact O-N 3.38Å; L195-T199 PolarHBondContact O-N 3.42Å; L195-T199 PolarHBondContact O-OG1 3.25Å; L195-V202 HydrophobicContact CB-CG2 3.83Å; L195-V202 HydrophobicContact CD1-CG1 4.28Å; L195-V202 HydrophobicContact CD1-CG2 4.17Å; L195-P276 HydrophobicContact CD1-CB 4.45Å; L195-P276 HydrophobicContact CD1-CG 4.28Å; L195-I278 HydrophobicContact CD1-CD1 4.11Å
196L96Very high95.6Very high21 Ų2119.9 Ų19.911%0.1111%0.112CC..THydrogen-bonded Turntrans-65.5-10.5178.1-70.6174.3000114.1F27 I192 N193 H198 T199 V202 V225 E227F27-L196 HydrophobicContact CD2-CB 4.28Å; F27-L196 HydrophobicContact CE2-CB 4.16Å; I192-L196 HydrophobicContact CG2-CD1 3.85Å; I192-L196 HydrophobicContact CG2-CG 4.38Å; I192-L196 WeakPolarHBondContact O-CG 3.37Å; I192-L196 PolarHBondContact O-N 3.06Å; N193-L196 PolarHBondContact O-N 3.05Å; L196-H198 PolarHBondContact O-N 3.31Å; L196-T199 WeakPolarHBondContact CA-O 3.48Å; L196-V202 HydrophobicContact CD2-CG2 4.14Å; L196-V202 HydrophobicContact CG-CG2 4.34Å; L196-V225 HydrophobicContact CD1-CG1 4.41Å; L196-E227 VanDerWaalsContact CD1-C 3.48Å; L196-E227 WeakPolarHBondContact CD1-O 3.4Å
197N94.3Very high95.8Very high46 Ų4618.5 Ų18.525%0.24610%0.104CC..THydrogen-bonded Turntrans-72.9-14.1166.8-60.1-44.3000113G26 F27 T28 T194 L195G26-N197 PolarHBondContact O-ND2 3.49Å; F27-N197 VanDerWaalsContact CD2-OD1 3.31Å; F27-N197 WeakPolarHBondContact CD2-OD1 3.04Å; T28-N197 PolarHBondContact N-OD1 2.72Å; T194-N197 WeakPolarHBondContact CA-ND2 3.35Å; T194-N197 WeakPolarHBondContact O-CB 3.22Å; T194-N197 PolarHBondContact O-N 3.11Å; T194-N197 PolarHBondContact O-ND2 2.87Å; L195-N197 PolarHBondContact O-N 3.48Å; L195-N197 VanDerWaalsContact O-N 3.11Å
198H90.1Very high95.8Very high106 Ų10619.3 Ų19.349%0.49111%0.108SC..THydrogen-bonded Turntrans-131.7-21.4-169.4-57.6-47.3000113.2K165 L195 L196K165-H198 WeakPolarHBondContact CE-CD2 3.48Å; K165-H198 PolarHBondContact NZ-CD2 2.55Å; K165-H198 PolarHBondContact NZ-CE1 2.65Å; K165-H198 PolarHBondContact NZ-NE2 2.92Å; L195-H198 CarbonylContact O-C 3.6Å; L195-H198 WeakPolarHBondContact O-CA 3.37Å; L195-H198 PolarHBondContact O-N 3.38Å; L196-H198 PolarHBondContact O-N 3.31Å
199T90.4Very high95.7Very high37 Ų3719.3 Ų19.323%0.22711%0.108CC..  trans-126.9154.417872.60000110L195 L196 N201L195-T199 PolarHBondContact O-N 3.42Å; L195-T199 PolarHBondContact O-OG1 3.25Å; L196-T199 WeakPolarHBondContact CA-O 3.48Å; T199-N201 PolarHBondContact OG1-O 2.85Å; T199-N201 VanDerWaalsContact OG1-O 3.12Å
200S90.9Very high95.5Very high91 Ų9118.9 Ų18.964%0.63611%0.109SC*.SBendtrans-83.2-20.7177.451.70000113.5
201N93.2Very high95.3Very high38 Ų3821.3 Ų21.320%0.20312%0.12CC..  trans-145.1149-173.9-57.2-76.3000110.6T199 T224 V225 K226 I275T199-N201 PolarHBondContact OG1-O 2.85Å; T199-N201 VanDerWaalsContact OG1-O 3.12Å; N201-T224 HydrophobicContact CB-CG2 3.74Å; N201-V225 CarbonylContact C-O 3.55Å; N201-V225 WeakPolarHBondContact CA-O 3.37Å; N201-K226 WeakPolarHBondContact OD1-CD 3.34Å; N201-K226 VanDerWaalsContact OD1-CE 3.29Å; N201-K226 WeakPolarHBondContact OD1-CE 3.42Å; N201-K226 VanDerWaalsContact OD1-CG 3.28Å; N201-K226 WeakPolarHBondContact OD1-CG 3.15Å; N201-I275 HydrophobicContact CB-CG2 4.19Å
202V95.2Very high95.2Very high0 Ų021.4 Ų21.40%012%0.121CC..EExtended strand (participates in β ladder)trans-135.6125.5168.9-1780000107.9I192 L195 L196 V225 P276 I278I192-V202 HydrophobicContact CG1-CG1 4.44Å; L195-V202 HydrophobicContact CB-CG2 3.83Å; L195-V202 HydrophobicContact CD1-CG1 4.28Å; L195-V202 HydrophobicContact CD1-CG2 4.17Å; L196-V202 HydrophobicContact CD2-CG2 4.14Å; L196-V202 HydrophobicContact CG-CG2 4.34Å; V202-V225 PolarHBondContact N-O 2.84Å; V202-V225 WeakPolarHBondContact O-CB 3.32Å; V202-V225 PolarHBondContact O-N 2.82Å; V202-P276 HydrophobicContact CG1-CG 4.42Å; V202-P276 HydrophobicContact CG2-CG 4.24Å; V202-I278 HydrophobicContact CG1-CD1 3.74Å; V202-I278 HydrophobicContact CG1-CG1 4.08Å
203D96.1Very high95.1Very high4 Ų421.5 Ų21.52%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-80.4141.2173.8-72.9-22.7000110.2S223 T224 R269 I275 P276 V277 I278D203-S223 CarbonylContact C-O 3.6Å; D203-T224 PolarHBondContact OD1-OG1 3.44Å; D203-R269 IonicContact OD2-CZ 3.9Å; D203-R269 IonicContact OD2-NE 3.01Å; D203-R269 PolarHBondContact OD2-NE 2.86Å; D203-R269 IonicContact OD2-NH2 3.75Å; D203-R269 PolarHBondContact OD2-NH2 2.81Å; D203-I275 HydrophobicContact CB-CG2 4.29Å; D203-P276 PolarHBondContact N-O 3.49Å; D203-V277 HydrophobicContact CB-CB 4.41Å; D203-V277 HydrophobicContact CB-CG1 4.18Å; D203-V277 HydrophobicContact CB-CG2 4.08Å; D203-V277 CarbonylContact O-C 3.4Å; D203-V277 VanDerWaalsContact O-CA 3.32Å; D203-V277 WeakPolarHBondContact O-CA 3.4Å; D203-I278 PolarHBondContact O-N 2.75Å
204Y97.4Very high95.1Very high0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-129.1118.1-176.5-175.6-98.3000110.3I188 I192 E206 E213 F214 L222 S223 I278 N280I188-Y204 HydrophobicContact CG2-CD2 4.42Å; I188-Y204 HydrophobicContact CG2-CE2 3.63Å; I192-Y204 HydrophobicContact CD1-CD2 4.02Å; I192-Y204 HydrophobicContact CD1-CE2 4.36Å; Y204-E206 HydrophobicContact CD1-CB 4.34Å; Y204-E206 HydrophobicContact CE1-CB 3.85Å; Y204-E206 HydrophobicContact CE1-CG 4.47Å; Y204-E206 PolarHBondContact OH-OE2 2.92Å; Y204-E213 HydrophobicContact CE1-CB 3.99Å; Y204-E213 WeakPolarHBondContact OH-CB 3.04Å; Y204-F214 AromaticContact CD1-CD2 3.54Å; Y204-F214 HydrophobicContact CD1-CD2 3.54Å; Y204-F214 AromaticContact CD1-CE2 3.47Å; Y204-F214 HydrophobicContact CD1-CE2 3.47Å; Y204-F214 VanDerWaalsContact CD1-CE2 3.47Å; Y204-F214 HydrophobicContact CD2-CE2 4.24Å; Y204-F214 AromaticContact CE1-CD2 3.77Å; Y204-F214 HydrophobicContact CE1-CD2 3.77Å; Y204-F214 AromaticContact CE1-CE2 3.81Å; Y204-F214 HydrophobicContact CE1-CE2 3.81Å; Y204-F214 HydrophobicContact CG-CD2 4.21Å; Y204-F214 AromaticContact CG-CE2 3.67Å; Y204-F214 HydrophobicContact CG-CE2 3.67Å; Y204-L222 WeakPolarHBondContact O-CA 3.34Å; Y204-S223 PolarHBondContact N-O 2.82Å; Y204-S223 PolarHBondContact O-N 2.99Å; Y204-I278 WeakPolarHBondContact CA-O 3.31Å; Y204-I278 HydrophobicContact CD2-CB 4.27Å; Y204-I278 HydrophobicContact CD2-CG2 4.29Å; Y204-I278 HydrophobicContact CE2-CG2 4.36Å; Y204-N280 HydrophobicContact CE2-CB 4.01Å; Y204-N280 WeakPolarHBondContact OH-CB 3.17Å; Y204-N280 PolarHBondContact OH-ND2 3.38Å
205L97.7Very high95Very high0 Ų020.7 Ų20.70%012%0.116CC..EExtended strand (participates in β ladder)trans-101.3114.2172.2-17669.9000109.3C221 L222 L262 L265 W266 I278 I279 N280 L300L205-C221 WeakPolarHBondContact CA-O 3.27Å; L205-L222 HydrophobicContact CB-CD1 4.44Å; L205-L222 HydrophobicContact CD1-CB 4.45Å; L205-L222 HydrophobicContact CD1-CD1 4.37Å; L205-L262 HydrophobicContact CD1-CD2 4.14Å; L205-L262 HydrophobicContact CD2-CD2 4.26Å; L205-L262 HydrophobicContact CG-CD2 4.12Å; L205-L265 HydrophobicContact CD1-CB 3.87Å; L205-L265 HydrophobicContact CD1-CD1 4.29Å; L205-W266 HydrophobicContact CD2-CE3 4.14Å; L205-I278 PolarHBondContact N-O 2.93Å; L205-I279 HydrophobicContact CB-CG1 4.1Å; L205-I279 HydrophobicContact CB-CG2 4.45Å; L205-I279 HydrophobicContact CD2-CG1 4.1Å; L205-I279 HydrophobicContact CD2-CG2 4.08Å; L205-I279 WeakPolarHBondContact O-CA 3.46Å; L205-N280 PolarHBondContact O-N 2.85Å; L205-L300 HydrophobicContact CD2-CD1 4Å
206E97.8Very high95Very high0 Ų020.8 Ų20.80%012%0.116CC..EExtended strand (participates in β ladder)trans-86.6115.7178.1-178.158.7-86.600110.9Y204 D208 T212 E213 L220 C221 N280Y204-E206 HydrophobicContact CD1-CB 4.34Å; Y204-E206 HydrophobicContact CE1-CB 3.85Å; Y204-E206 HydrophobicContact CE1-CG 4.47Å; Y204-E206 PolarHBondContact OH-OE2 2.92Å; E206-D208 PolarHBondContact OE1-N 2.78Å; E206-T212 HydrophobicContact CG-CG2 4.04Å; E206-T212 VanDerWaalsContact OE2-CA 3.31Å; E206-T212 WeakPolarHBondContact OE2-CA 3.46Å; E206-E213 PolarHBondContact OE2-N 2.97Å; E206-L220 WeakPolarHBondContact O-CD2 3.44Å; E206-C221 VanDerWaalsContact CB-SG 3.57Å; E206-C221 PolarHBondContact N-O 3.11Å; E206-N280 PolarHBondContact OE1-ND2 2.89Å
207G97.4Very high95.1Very high1 Ų119.9 Ų19.91%0.0111%0.112CC..  trans-111.9-5.5172.900000114.3Y258 N280 M282G207-Y258 WeakPolarHBondContact O-CE2 3.27Å; G207-Y258 PolarHBondContact O-OH 3.17Å; G207-N280 VanDerWaalsContact CA-O 3.24Å; G207-N280 WeakPolarHBondContact CA-O 3.17Å; G207-N280 PolarHBondContact N-O 2.92Å; G207-M282 WeakPolarHBondContact O-CG 3.32Å
208D97.1Very high95.1Very high17 Ų1717.7 Ų17.79%0.09110%0.1CC..  trans-93.599.8177.2-162.9-35000111.8E206 G210 Q211 T212E206-D208 PolarHBondContact OE1-N 2.78Å; D208-G210 PolarHBondContact O-N 3.1Å; D208-G210 WeakPolarHBondContact OD1-CA 3.42Å; D208-G210 PolarHBondContact OD1-N 3.01Å; D208-Q211 PolarHBondContact OD1-N 2.86Å; D208-Q211 VanDerWaalsContact OD1-N 3.09Å; D208-T212 VanDerWaalsContact O-CG2 3.26Å; D208-T212 WeakPolarHBondContact O-CG2 3.29Å
209L96.1Very high95.5Very high0 Ų012.6 Ų12.60%08%0.076CC..SBendtrans-61.8-24.8176.2-69172.7000114.1G218 L220 Y246 C251 Y258L209-G218 PolarHBondContact O-N 3.37Å; L209-L220 HydrophobicContact CD2-CD1 4.4Å; L209-L220 HydrophobicContact CD2-CD2 3.65Å; L209-L220 HydrophobicContact CD2-CG 3.72Å; L209-L220 HydrophobicContact CG-CD2 4.05Å; L209-Y246 HydrophobicContact CD1-CD1 3.52Å; L209-Y246 HydrophobicContact CD1-CD2 4.5Å; L209-Y246 HydrophobicContact CD1-CE1 3.81Å; L209-Y246 HydrophobicContact CD1-CG 3.93Å; L209-Y246 HydrophobicContact CD2-CD1 4.05Å; L209-Y246 HydrophobicContact CD2-CG 3.84Å; L209-Y246 HydrophobicContact CG-CD1 4.44Å; L209-C251 HydrophobicContact CD1-CB 3.88Å; L209-Y258 HydrophobicContact CD1-CD2 4.13Å; L209-Y258 HydrophobicContact CG-CD2 4.49Å; L209-Y258 HydrophobicContact CG-CE2 4.5Å
210G93Very high95.8Very high8 Ų810.9 Ų10.98%0.0827%0.066CC..SBendtrans-93.1-35.2-170.500000114.1D208 R380D208-G210 PolarHBondContact O-N 3.1Å; D208-G210 WeakPolarHBondContact OD1-CA 3.42Å; D208-G210 PolarHBondContact OD1-N 3.01Å; G210-R380 WeakPolarHBondContact O-CD 3.36Å; G210-R380 VanDerWaalsContact O-CG 3.26Å; G210-R380 WeakPolarHBondContact O-CG 3.49Å
211Q92.2Very high96.1Very high52 Ų526.5 Ų6.524%0.2434%0.035CC..SBendtrans-136.376.3-179.2-67.9-176.19.600109.8D208 S376D208-Q211 PolarHBondContact OD1-N 2.86Å; D208-Q211 VanDerWaalsContact OD1-N 3.09Å; Q211-S376 PolarHBondContact NE2-OG 2.74Å
212T95.8Very high96.3Very high2 Ų24.9 Ų4.91%0.0123%0.026CC..  trans-71.9151.8178.647.20000111.9E206 D208 T215 P216E206-T212 HydrophobicContact CG-CG2 4.04Å; E206-T212 VanDerWaalsContact OE2-CA 3.31Å; E206-T212 WeakPolarHBondContact OE2-CA 3.46Å; D208-T212 VanDerWaalsContact O-CG2 3.26Å; D208-T212 WeakPolarHBondContact O-CG2 3.29Å; T212-T215 WeakPolarHBondContact CB-O 3.24Å; T212-T215 PolarHBondContact OG1-O 2.83Å; T212-P216 PolarHBondContact OG1-O 3.18Å
213E96.7Very high96.3Very high2 Ų25 Ų51%0.0093%0.028CC..SBendtrans-89.5-44.7178.6-172.265.3-143.900113.4R189 Y204 E206 L229 P233 H236R189-E213 WeakPolarHBondContact CD-OE1 3.46Å; Y204-E213 HydrophobicContact CE1-CB 3.99Å; Y204-E213 WeakPolarHBondContact OH-CB 3.04Å; E206-E213 PolarHBondContact OE2-N 2.97Å; E213-L229 HydrophobicContact CG-CD1 4.33Å; E213-P233 WeakPolarHBondContact O-CB 3.34Å; E213-H236 IonicContact OE1-CD2 2.61Å; E213-H236 IonicContact OE1-CE1 2.72Å; E213-H236 IonicContact OE1-NE2 2.66Å; E213-H236 PolarHBondContact OE1-NE2 3.18Å
214F96.4Very high96.2Very high7 Ų76.9 Ų6.93%0.0314%0.039CC..SBendtrans-112.8-14.2-168.6-65.2-71000115Y204 V225 L229 Q237 V238Y204-F214 AromaticContact CD1-CD2 3.54Å; Y204-F214 HydrophobicContact CD1-CD2 3.54Å; Y204-F214 AromaticContact CD1-CE2 3.47Å; Y204-F214 HydrophobicContact CD1-CE2 3.47Å; Y204-F214 VanDerWaalsContact CD1-CE2 3.47Å; Y204-F214 HydrophobicContact CD2-CE2 4.24Å; Y204-F214 AromaticContact CE1-CD2 3.77Å; Y204-F214 HydrophobicContact CE1-CD2 3.77Å; Y204-F214 AromaticContact CE1-CE2 3.81Å; Y204-F214 HydrophobicContact CE1-CE2 3.81Å; Y204-F214 HydrophobicContact CG-CD2 4.21Å; Y204-F214 AromaticContact CG-CE2 3.67Å; Y204-F214 HydrophobicContact CG-CE2 3.67Å; F214-V225 HydrophobicContact CE1-CG1 4.44Å; F214-V225 HydrophobicContact CE1-CG2 4.17Å; F214-V225 HydrophobicContact CE2-CG2 3.76Å; F214-V225 HydrophobicContact CZ-CB 4.43Å; F214-V225 HydrophobicContact CZ-CG1 4.14Å; F214-V225 HydrophobicContact CZ-CG2 3.39Å; F214-L229 HydrophobicContact CE1-CD1 4.35Å; F214-L229 HydrophobicContact CE1-CD2 3.58Å; F214-L229 HydrophobicContact CZ-CD1 3.87Å; F214-L229 HydrophobicContact CZ-CD2 3.89Å; F214-Q237 WeakPolarHBondContact O-CA 3.23Å; F214-V238 HydrophobicContact CB-CG2 3.86Å; F214-V238 HydrophobicContact CD1-CG2 3.87Å; F214-V238 HydrophobicContact CG-CG2 4.18Å; F214-V238 PolarHBondContact O-N 2.67Å
215T96.2Very high96.2Very high1 Ų17.3 Ų7.31%0.0064%0.042CC..SBendtrans-126.7166.1-172.259.50000110.9T212 C219 C221 Q237 P240 M243T212-T215 WeakPolarHBondContact CB-O 3.24Å; T212-T215 PolarHBondContact OG1-O 2.83Å; T215-C219 WeakPolarHBondContact OG1-CB 3.46Å; T215-C221 HydrophobicContact CG2-CB 4.33Å; T215-Q237 PolarHBondContact O-OE1 3.17Å; T215-P240 HydrophobicContact CG2-CG 3.25Å; T215-M243 HydrophobicContact CG2-SD 3.68Å
216P96.1Very high96.1Very high4 Ų413.7 Ų13.73%0.0267%0.069CC..  trans-52.9156.8161.7-32.441.4000113T212 C219 L384 Y387 F467T212-P216 PolarHBondContact OG1-O 3.18Å; P216-C219 PolarHBondContact O-SG 2.71Å; P216-L384 HydrophobicContact CB-CD2 3.93Å; P216-Y387 HydrophobicContact CG-CD1 4.26Å; P216-Y387 HydrophobicContact CG-CD2 3.84Å; P216-Y387 HydrophobicContact CG-CG 3.69Å; P216-F467 HydrophobicContact CB-CD2 3.99Å; P216-F467 HydrophobicContact CB-CE2 3.78Å; P216-F467 HydrophobicContact CB-CZ 4.21Å; P216-F467 HydrophobicContact CG-CD2 3.59Å; P216-F467 HydrophobicContact CG-CE2 3.74Å; P216-F467 HydrophobicContact CG-CG 4.38Å
217P96.4Very high96Very high1 Ų118 Ų181%0.0069%0.09CC..THydrogen-bonded Turntrans-64.7158178.727.3-35000112.3C219 R380 L384 I502P217-C219 VanDerWaalsContact C-N 3.33Å; P217-R380 HydrophobicContact CB-CB 4.39Å; P217-R380 HydrophobicContact CB-CG 3.84Å; P217-R380 HydrophobicContact CG-CB 4.02Å; P217-R380 HydrophobicContact CG-CG 4.03Å; P217-L384 HydrophobicContact CG-CD1 4.43Å; P217-L384 HydrophobicContact CG-CD2 4.49Å; P217-L384 HydrophobicContact CG-CG 4.24Å; P217-I502 HydrophobicContact CB-CD1 4.23Å; P217-I502 HydrophobicContact CG-CD1 4.37Å; P217-I502 HydrophobicContact CG-CG2 3.87Å
218G96.1Very high96Very high0 Ų018.9 Ų18.90%010%0.095CC..THydrogen-bonded Turntrans77.917.3-176.700000114.2L209 Y245 Y246 G247 Q248L209-G218 PolarHBondContact O-N 3.37Å; G218-Y245 WeakPolarHBondContact O-CD2 3.16Å; G218-Y246 WeakPolarHBondContact O-CB 3.35Å; G218-Y246 PolarHBondContact O-N 2.94Å; G218-G247 PolarHBondContact O-N 2.97Å; G218-Q248 WeakPolarHBondContact CA-O 3.39Å
219C96.6Very high96Very high0 Ų018.3 Ų18.30%09%0.092CC..EExtended strand (participates in β ladder)trans-107149.6175.3-58.10000111.7T215 P216 P217 M243 I244 F467T215-C219 WeakPolarHBondContact OG1-CB 3.46Å; P216-C219 PolarHBondContact O-SG 2.71Å; P217-C219 VanDerWaalsContact C-N 3.33Å; C219-M243 HydrophobicContact CB-CG 4.12Å; C219-M243 HydrophobicContact CB-SD 4.08Å; C219-M243 VanDerWaalsContact SG-SD 3.69Å; C219-I244 WeakPolarHBondContact CA-O 3.34Å; C219-F467 VanDerWaalsContact SG-CE2 3.59Å; C219-F467 WeakPolarHBondContact SG-CZ 3.48Å
220L97.6Very high96.1Very high0 Ų018.7 Ų18.70%09%0.094CC..EExtended strand (participates in β ladder)trans-115.1136.7158.6-57.9169.4000106.7E206 L209 M243 I244 Y258 L262 L265E206-L220 WeakPolarHBondContact O-CD2 3.44Å; L209-L220 HydrophobicContact CD2-CD1 4.4Å; L209-L220 HydrophobicContact CD2-CD2 3.65Å; L209-L220 HydrophobicContact CD2-CG 3.72Å; L209-L220 HydrophobicContact CG-CD2 4.05Å; L220-M243 CarbonylContact O-C 3.56Å; L220-M243 WeakPolarHBondContact O-CA 3.3Å; L220-I244 PolarHBondContact N-O 3.09Å; L220-I244 PolarHBondContact O-N 2.97Å; L220-Y258 HydrophobicContact CD1-CD2 3.89Å; L220-Y258 HydrophobicContact CD1-CE2 4.31Å; L220-Y258 HydrophobicContact CD2-CD2 4.09Å; L220-Y258 HydrophobicContact CD2-CE2 3.73Å; L220-L262 HydrophobicContact CB-CD2 4.5Å; L220-L262 HydrophobicContact CD1-CG 4.4Å; L220-L262 HydrophobicContact CD2-CD2 4.24Å; L220-L265 HydrophobicContact CB-CD1 3.69Å
221C97.2Very high96.2Very high0 Ų018.4 Ų18.40%09%0.091CC..EExtended strand (participates in β ladder)trans-149.2160-177.972.80000113.5L205 E206 T215 P240 H242 M243L205-C221 WeakPolarHBondContact CA-O 3.27Å; E206-C221 VanDerWaalsContact CB-SG 3.57Å; E206-C221 PolarHBondContact N-O 3.11Å; T215-C221 HydrophobicContact CG2-CB 4.33Å; C221-P240 HydrophobicContact CB-CB 3.72Å; C221-P240 HydrophobicContact CB-CG 3.59Å; C221-H242 CarbonylContact C-O 3.54Å; C221-H242 WeakPolarHBondContact CA-O 3.34Å; C221-H242 WeakPolarHBondContact CB-O 3.49Å; C221-M243 HydrophobicContact CB-CB 4.07Å; C221-M243 HydrophobicContact CB-CG 4.21Å
222L96.6Very high96.4Very high3 Ų316 Ų162%0.0168%0.08CC..EExtended strand (participates in β ladder)trans-115.9123.2164.618072.2000107.3Y204 L205 P240 D241 H242 L265 R269Y204-L222 WeakPolarHBondContact O-CA 3.34Å; L205-L222 HydrophobicContact CB-CD1 4.44Å; L205-L222 HydrophobicContact CD1-CB 4.45Å; L205-L222 HydrophobicContact CD1-CD1 4.37Å; L222-P240 WeakPolarHBondContact O-CB 3.3Å; L222-D241 PolarHBondContact O-N 3.47Å; L222-H242 PolarHBondContact N-O 2.98Å; L222-H242 PolarHBondContact O-N 3.31Å; L222-L265 HydrophobicContact CB-CB 4.45Å; L222-L265 HydrophobicContact CB-CD2 4.46Å; L222-R269 HydrophobicContact CD2-CB 3.58Å; L222-R269 HydrophobicContact CD2-CG 3.95Å
223S95.1Very high96.4Very high4 Ų416.8 Ų16.83%0.0289%0.085CC..EExtended strand (participates in β ladder)trans-130.9140.3179.6-51.20000110.7D203 Y204 P240D203-S223 CarbonylContact C-O 3.6Å; Y204-S223 PolarHBondContact N-O 2.82Å; Y204-S223 PolarHBondContact O-N 2.99Å; S223-P240 WeakPolarHBondContact OG-CB 3.3Å
224T95.4Very high96.4Very high42 Ų4217 Ų1726%0.2589%0.086SC..EExtended strand (participates in β ladder)trans-91.8113.7165.2-60.10000110.8N201 D203 K226 D241N201-T224 HydrophobicContact CB-CG2 3.74Å; D203-T224 PolarHBondContact OD1-OG1 3.44Å; T224-K226 HydrophobicContact CG2-CG 4.4Å; T224-D241 PolarHBondContact N-OD2 3.29Å
225V96.3Very high96.5Very high9 Ų917.6 Ų17.66%0.0559%0.09CC..EExtended strand (participates in β ladder)trans-86.4127.4179.5-1690000110.1I192 L196 N201 V202 F214 E227 L229I192-V225 HydrophobicContact CG2-CB 4.46Å; I192-V225 HydrophobicContact CG2-CG1 3.87Å; L196-V225 HydrophobicContact CD1-CG1 4.41Å; N201-V225 CarbonylContact C-O 3.55Å; N201-V225 WeakPolarHBondContact CA-O 3.37Å; V202-V225 PolarHBondContact N-O 2.84Å; V202-V225 WeakPolarHBondContact O-CB 3.32Å; V202-V225 PolarHBondContact O-N 2.82Å; F214-V225 HydrophobicContact CE1-CG1 4.44Å; F214-V225 HydrophobicContact CE1-CG2 4.17Å; F214-V225 HydrophobicContact CE2-CG2 3.76Å; F214-V225 HydrophobicContact CZ-CB 4.43Å; F214-V225 HydrophobicContact CZ-CG1 4.14Å; F214-V225 HydrophobicContact CZ-CG2 3.39Å; V225-E227 WeakPolarHBondContact CG1-O 3.32Å; V225-L229 HydrophobicContact CG1-CD2 4.24Å
226K95.4Very high96.4Very high134 Ų13419.1 Ų19.158%0.58310%0.097SC*.  trans-122.1-11.6-176.8-48.6-167.2177.21700113.9N201 T224N201-K226 WeakPolarHBondContact OD1-CD 3.34Å; N201-K226 VanDerWaalsContact OD1-CE 3.29Å; N201-K226 WeakPolarHBondContact OD1-CE 3.42Å; N201-K226 VanDerWaalsContact OD1-CG 3.28Å; N201-K226 WeakPolarHBondContact OD1-CG 3.15Å; T224-K226 HydrophobicContact CG2-CG 4.4Å
227E96.4Very high96.3Very high92 Ų9219.7 Ų19.743%0.4310%0.1SC..SBendtrans-127.2146.1-172.6-64.1-63.9163.700109.5K34 L196 V225K34-E227 VanDerWaalsContact CE-OE2 3.25Å; K34-E227 WeakPolarHBondContact CE-OE2 3.31Å; K34-E227 IonicContact NZ-OE1 3.72Å; K34-E227 PolarHBondContact NZ-OE1 2.85Å; K34-E227 IonicContact NZ-OE2 3.06Å; K34-E227 PolarHBondContact NZ-OE2 2.82Å; L196-E227 VanDerWaalsContact CD1-C 3.48Å; L196-E227 WeakPolarHBondContact CD1-O 3.4Å; V225-E227 WeakPolarHBondContact CG1-O 3.32Å
228P97.4Very high96Very high18 Ų1823.3 Ų23.312%0.11712%0.121CC..  trans-68.2143.1179.930.8-36.8000111.5F27 Y36 N193 L230F27-P228 HydrophobicContact CB-CB 4.01Å; F27-P228 HydrophobicContact CD1-CB 3.8Å; F27-P228 HydrophobicContact CD1-CG 3.79Å; F27-P228 HydrophobicContact CD2-CB 3.75Å; F27-P228 HydrophobicContact CD2-CG 4.29Å; F27-P228 HydrophobicContact CE1-CB 4.19Å; F27-P228 HydrophobicContact CE1-CG 3.76Å; F27-P228 HydrophobicContact CE2-CB 4.14Å; F27-P228 HydrophobicContact CE2-CG 4.26Å; F27-P228 HydrophobicContact CG-CB 3.56Å; F27-P228 HydrophobicContact CG-CG 4.07Å; F27-P228 HydrophobicContact CZ-CB 4.35Å; F27-P228 HydrophobicContact CZ-CG 4Å; Y36-P228 HydrophobicContact CD1-CG 3.69Å; Y36-P228 HydrophobicContact CE1-CG 3.61Å; N193-P228 WeakPolarHBondContact OD1-CA 3.46Å; P228-L230 HydrophobicContact CB-CD1 4.29Å; P228-L230 HydrophobicContact CB-CD2 4.11Å; P228-L230 HydrophobicContact CB-CG 3.96Å; P228-L230 HydrophobicContact CG-CD1 4.03Å; P228-L230 HydrophobicContact CG-CG 4.14Å; P228-L230 PolarHBondContact O-N 3.04Å
229L97.6Very high95.5Very high6 Ų627.5 Ų27.53%0.03115%0.147CC..  trans-89.587.3179.3-49.6-179.6000109R189 I192 N193 E213 F214 V225R189-L229 HydrophobicContact CG-CB 4.09Å; R189-L229 HydrophobicContact CG-CD1 3.79Å; I192-L229 HydrophobicContact CB-CD1 4.29Å; I192-L229 HydrophobicContact CD1-CD1 3.68Å; I192-L229 HydrophobicContact CG2-CD1 4.02Å; I192-L229 HydrophobicContact CG2-CG 4.16Å; N193-L229 PolarHBondContact ND2-O 3.19Å; N193-L229 PolarHBondContact OD1-N 3.12Å; E213-L229 HydrophobicContact CG-CD1 4.33Å; F214-L229 HydrophobicContact CE1-CD1 4.35Å; F214-L229 HydrophobicContact CE1-CD2 3.58Å; F214-L229 HydrophobicContact CZ-CD1 3.87Å; F214-L229 HydrophobicContact CZ-CD2 3.89Å; V225-L229 HydrophobicContact CG1-CD2 4.24Å
230L96.9Very high95.2Very high8 Ų828.1 Ų28.14%0.04215%0.151CC..  trans-105.335.6-174.5-54.5-177000112.8V24 M25 F27 Y36 L38 F39 P228V24-L230 HydrophobicContact CB-CD2 4.48Å; V24-L230 HydrophobicContact CG1-CD1 3.92Å; V24-L230 HydrophobicContact CG1-CD2 3.69Å; V24-L230 HydrophobicContact CG1-CG 4.41Å; V24-L230 HydrophobicContact CG2-CD2 4.24Å; M25-L230 HydrophobicContact CB-CD2 4.5Å; F27-L230 HydrophobicContact CB-CD2 4.26Å; Y36-L230 HydrophobicContact CD1-CD1 4.46Å; Y36-L230 HydrophobicContact CG-CD1 4.33Å; L38-L230 HydrophobicContact CD2-CB 3.77Å; L38-L230 HydrophobicContact CD2-CD1 3.64Å; L38-L230 HydrophobicContact CD2-CG 4.28Å; F39-L230 PolarHBondContact N-O 2.57Å; F39-L230 VanDerWaalsContact N-O 3.09Å; P228-L230 HydrophobicContact CB-CD1 4.29Å; P228-L230 HydrophobicContact CB-CD2 4.11Å; P228-L230 HydrophobicContact CB-CG 3.96Å; P228-L230 HydrophobicContact CG-CD1 4.03Å; P228-L230 HydrophobicContact CG-CG 4.14Å; P228-L230 PolarHBondContact O-N 3.04Å
231G95.5Very high94.7Very high2 Ų232.8 Ų32.82%0.02118%0.176CC..SBendtrans-169.5-176.4-18000000112.5R189 H236R189-G231 PolarHBondContact NH1-O 3.22Å; G231-H236 PolarHBondContact O-CE1 3.06Å
232P95.7Very high94.5Very high2 Ų235.5 Ų35.51%0.01319%0.189CC..  trans-74.3160.8170-21.636.2000113.7P41 H44 F234 T235 H236P41-P232 HydrophobicContact CG-CG 3.48Å; P41-P232 VanDerWaalsContact CG-CG 3.48Å; H44-P232 HydrophobicContact CB-CG 4.18Å; H44-P232 WeakPolarHBondContact ND1-CG 3.47Å; P232-F234 HydrophobicContact CB-CD1 3.69Å; P232-F234 HydrophobicContact CB-CE1 3.45Å; P232-F234 VanDerWaalsContact CB-CE1 3.45Å; P232-F234 HydrophobicContact CB-CZ 4.22Å; P232-F234 HydrophobicContact CG-CD1 4.47Å; P232-F234 HydrophobicContact CG-CE1 3.75Å; P232-F234 HydrophobicContact CG-CZ 4.13Å; P232-F234 PolarHBondContact O-N 2.73Å; P232-T235 WeakPolarHBondContact O-CB 3.48Å; P232-T235 PolarHBondContact O-N 2.75Å; P232-T235 PolarHBondContact O-OG1 2.83Å; P232-H236 PolarHBondContact O-CE1 3.18Å; P232-H236 PolarHBondContact O-ND1 3.36Å
233P97Very high94.6Very high18 Ų1835.9 Ų35.912%0.11719%0.19CC..G310 helixtrans-46.4-39.3-178.3-34.539.3000116.4E213 T235 H236 Q237 L383E213-P233 WeakPolarHBondContact O-CB 3.34Å; P233-T235 PolarHBondContact O-N 3.37Å; P233-T235 VanDerWaalsContact O-N 3.09Å; P233-H236 WeakPolarHBondContact CA-NE2 3.35Å; P233-H236 PolarHBondContact O-N 2.98Å; P233-Q237 PolarHBondContact O-NE2 3.18Å; P233-L383 HydrophobicContact CB-CD2 3.51Å; P233-L383 HydrophobicContact CB-CG 4.39Å
234F97.1Very high94.6Very high5 Ų536.3 Ų36.32%0.02219%0.192CC..G310 helixtrans-66.7-10.8-179.668.5-97.9000114.3P41 L106 L115 F116 P232 L382P41-F234 HydrophobicContact CB-CZ 4.36Å; P41-F234 HydrophobicContact CG-CE1 4.33Å; P41-F234 HydrophobicContact CG-CZ 3.87Å; L106-F234 HydrophobicContact CD1-CD2 3.78Å; L106-F234 HydrophobicContact CD1-CE2 3.65Å; L115-F234 HydrophobicContact CD2-CE2 4.15Å; L115-F234 HydrophobicContact CD2-CZ 3.91Å; F116-F234 HydrophobicContact CZ-CE2 4.3Å; P232-F234 HydrophobicContact CB-CD1 3.69Å; P232-F234 HydrophobicContact CB-CE1 3.45Å; P232-F234 VanDerWaalsContact CB-CE1 3.45Å; P232-F234 HydrophobicContact CB-CZ 4.22Å; P232-F234 HydrophobicContact CG-CD1 4.47Å; P232-F234 HydrophobicContact CG-CE1 3.75Å; P232-F234 HydrophobicContact CG-CZ 4.13Å; P232-F234 PolarHBondContact O-N 2.73Å; F234-L382 HydrophobicContact CB-CB 4.13Å; F234-L382 VanDerWaalsContact CB-O 3.22Å; F234-L382 WeakPolarHBondContact CB-O 3.3Å; F234-L382 HydrophobicContact CD1-CB 3.79Å; F234-L382 HydrophobicContact CD1-CD1 4.08Å; F234-L382 HydrophobicContact CD1-CG 4.42Å; F234-L382 HydrophobicContact CE1-CB 4.41Å; F234-L382 HydrophobicContact CE1-CD1 3.9Å; F234-L382 HydrophobicContact CG-CB 4.04Å
235T97Very high94.7Very high21 Ų2134.7 Ų34.713%0.12918%0.182CC..G310 helixtrans-91.6-7.5-179.565.60000114.4F39 L102 P232 P233F39-T235 HydrophobicContact CB-CG2 3.8Å; F39-T235 HydrophobicContact CD1-CG2 3.91Å; F39-T235 HydrophobicContact CD2-CG2 3.87Å; F39-T235 HydrophobicContact CE1-CG2 4.41Å; F39-T235 HydrophobicContact CE2-CG2 4.38Å; F39-T235 HydrophobicContact CG-CG2 3.6Å; L102-T235 HydrophobicContact CD2-CG2 4.17Å; P232-T235 WeakPolarHBondContact O-CB 3.48Å; P232-T235 PolarHBondContact O-N 2.75Å; P232-T235 PolarHBondContact O-OG1 2.83Å; P233-T235 PolarHBondContact O-N 3.37Å; P233-T235 VanDerWaalsContact O-N 3.09Å
236H95.8Very high94.7Very high32 Ų3235.2 Ų35.215%0.14818%0.183CC..SBendtrans-143.844.7-175.345.4-97.5000111.5E213 G231 P232 P233 V238E213-H236 IonicContact OE1-CD2 2.61Å; E213-H236 IonicContact OE1-CE1 2.72Å; E213-H236 IonicContact OE1-NE2 2.66Å; E213-H236 PolarHBondContact OE1-NE2 3.18Å; G231-H236 PolarHBondContact O-CE1 3.06Å; P232-H236 PolarHBondContact O-CE1 3.18Å; P232-H236 PolarHBondContact O-ND1 3.36Å; P233-H236 WeakPolarHBondContact CA-NE2 3.35Å; P233-H236 PolarHBondContact O-N 2.98Å; H236-V238 PolarHBondContact O-N 2.86Å
237Q93.7Very high94.6Very high17 Ų1728.8 Ų28.88%0.07916%0.155CC..  trans-65.5123.5171.6-64.3-63.9-77.700110.1F214 T215 P233 Q390F214-Q237 WeakPolarHBondContact O-CA 3.23Å; T215-Q237 PolarHBondContact O-OE1 3.17Å; P233-Q237 PolarHBondContact O-NE2 3.18Å; Q237-Q390 PolarHBondContact O-NE2 3.17Å
238V89.3Confident94.5Very high76 Ų7626 Ų2646%0.46114%0.142SC..  trans-133.8152.6-179-64.70000110.4F214 H236 P240F214-V238 HydrophobicContact CB-CG2 3.86Å; F214-V238 HydrophobicContact CD1-CG2 3.87Å; F214-V238 HydrophobicContact CG-CG2 4.18Å; F214-V238 PolarHBondContact O-N 2.67Å; H236-V238 PolarHBondContact O-N 2.86Å; V238-P240 VanDerWaalsContact O-CD 3.23Å; V238-P240 WeakPolarHBondContact O-CD 3.43Å
239T86.8Confident94.3Very high88 Ų8827.4 Ų27.454%0.5415%0.152SC..  trans-76.4116.3170-58.30000108.9
240P88.4Confident94.2Very high14 Ų1428.1 Ų28.19%0.09116%0.158CC..  trans-66.5161.6178.8-2337000112.6T215 C221 L222 S223 V238 H242 M243T215-P240 HydrophobicContact CG2-CG 3.25Å; C221-P240 HydrophobicContact CB-CB 3.72Å; C221-P240 HydrophobicContact CB-CG 3.59Å; L222-P240 WeakPolarHBondContact O-CB 3.3Å; S223-P240 WeakPolarHBondContact OG-CB 3.3Å; V238-P240 VanDerWaalsContact O-CD 3.23Å; V238-P240 WeakPolarHBondContact O-CD 3.43Å; P240-H242 VanDerWaalsContact C-N 3.27Å; P240-H242 PolarHBondContact O-N 2.86Å; P240-M243 HydrophobicContact CB-CB 4.26Å; P240-M243 HydrophobicContact CG-CB 4.09Å; P240-M243 HydrophobicContact CG-SD 4.26Å
241D87.7Confident94Very high97 Ų9727.8 Ų27.852%0.51916%0.156SC..SBendtrans-58.8-44.2171.3-58.4-67.7000110.7L222 T224L222-D241 PolarHBondContact O-N 3.47Å; T224-D241 PolarHBondContact N-OD2 3.29Å
242H94.4Very high93.9Very high58 Ų5834.5 Ų34.527%0.26919%0.187SC..EExtended strand (participates in β ladder)trans-139.1128.4175.2-59.1-48.2000110.6C221 L222 P240 L265 R268C221-H242 CarbonylContact C-O 3.54Å; C221-H242 WeakPolarHBondContact CA-O 3.34Å; C221-H242 WeakPolarHBondContact CB-O 3.49Å; L222-H242 PolarHBondContact N-O 2.98Å; L222-H242 PolarHBondContact O-N 3.31Å; P240-H242 VanDerWaalsContact C-N 3.27Å; P240-H242 PolarHBondContact O-N 2.86Å; H242-L265 HydrophobicContact CB-CD2 3.66Å; H242-L265 WeakPolarHBondContact O-CD2 3.48Å; H242-R268 WeakPolarHBondContact CD2-CB 3.41Å
243M96.8Very high93.6Very high10 Ų1039.1 Ų39.15%0.04922%0.215CC..EExtended strand (participates in β ladder)trans-135.1144.7178.3178.8175.263.400110.1T215 C219 L220 C221 P240 C464 F467T215-M243 HydrophobicContact CG2-SD 3.68Å; C219-M243 HydrophobicContact CB-CG 4.12Å; C219-M243 HydrophobicContact CB-SD 4.08Å; C219-M243 VanDerWaalsContact SG-SD 3.69Å; L220-M243 CarbonylContact O-C 3.56Å; L220-M243 WeakPolarHBondContact O-CA 3.3Å; C221-M243 HydrophobicContact CB-CB 4.07Å; C221-M243 HydrophobicContact CB-CG 4.21Å; P240-M243 HydrophobicContact CB-CB 4.26Å; P240-M243 HydrophobicContact CG-CB 4.09Å; P240-M243 HydrophobicContact CG-SD 4.26Å; M243-C464 WeakPolarHBondContact CB-O 3.43Å; M243-C464 HydrophobicContact CE-CB 3.97Å; M243-C464 WeakPolarHBondContact CE-O 3.4Å; M243-C464 HydrophobicContact CG-CB 4.34Å; M243-C464 PolarHBondContact O-N 3.03Å; M243-F467 HydrophobicContact CE-CE2 4.12Å; M243-F467 HydrophobicContact SD-CE2 4.23Å
244I97Very high93.4Very high13 Ų1341.9 Ų41.97%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-124.5124.7173.9-62.4174.2000106.6C219 L220 Y246 L265 L461C219-I244 WeakPolarHBondContact CA-O 3.34Å; L220-I244 PolarHBondContact N-O 3.09Å; L220-I244 PolarHBondContact O-N 2.97Å; I244-Y246 PolarHBondContact O-N 3.01Å; I244-L265 HydrophobicContact CD1-CD1 4.32Å; I244-L265 HydrophobicContact CD1-CD2 4.18Å; I244-L265 HydrophobicContact CD1-CG 3.88Å; I244-L265 HydrophobicContact CG1-CD2 4.18Å; I244-L265 HydrophobicContact CG1-CG 4.35Å; I244-L461 HydrophobicContact CD1-CD1 3.96Å; I244-L461 HydrophobicContact CD1-CD2 4.42Å; I244-L461 HydrophobicContact CD1-CG 4.23Å; I244-L461 HydrophobicContact CG2-CD1 3.83Å
245Y96.6Very high93.3Very high9 Ų942.3 Ų42.34%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-87.1106.5174.9-179.2-132.2000109.4G218 G247 I420 F467 L498 G500G218-Y245 WeakPolarHBondContact O-CD2 3.16Å; Y245-G247 VanDerWaalsContact CE2-CA 3.48Å; Y245-G247 VanDerWaalsContact CZ-CA 3.48Å; Y245-I420 HydrophobicContact CD1-CD1 3.92Å; Y245-I420 HydrophobicContact CE1-CD1 4.1Å; Y245-F467 HydrophobicContact CD1-CE1 4.31Å; Y245-F467 AromaticContact CD2-CE1 3.49Å; Y245-F467 HydrophobicContact CD2-CE1 3.49Å; Y245-F467 VanDerWaalsContact CD2-CE1 3.49Å; Y245-F467 AromaticContact CD2-CZ 3.57Å; Y245-F467 HydrophobicContact CD2-CZ 3.57Å; Y245-F467 HydrophobicContact CE1-CE1 4.26Å; Y245-F467 AromaticContact CE2-CE1 3.43Å; Y245-F467 HydrophobicContact CE2-CE1 3.43Å; Y245-F467 VanDerWaalsContact CE2-CE1 3.43Å; Y245-F467 AromaticContact CE2-CZ 3.9Å; Y245-F467 HydrophobicContact CE2-CZ 3.9Å; Y245-F467 AromaticContact CG-CE1 3.93Å; Y245-F467 HydrophobicContact CG-CE1 3.93Å; Y245-F467 HydrophobicContact CG-CZ 4.13Å; Y245-F467 AromaticContact CZ-CE1 3.81Å; Y245-L498 HydrophobicContact CD1-CB 4.2Å; Y245-L498 WeakPolarHBondContact CE1-O 3.48Å; Y245-G500 WeakPolarHBondContact OH-CA 3.23Å; Y245-G500 PolarHBondContact OH-N 3.22Å
246Y95.6Very high93.2Very high19 Ų1944.8 Ų44.88%0.07524%0.244CC..  trans-80.3-24.6177.8-171.9-87.8000111.7L209 G218 I244 Q248 S250 C251 D254 I420L209-Y246 HydrophobicContact CD1-CD1 3.52Å; L209-Y246 HydrophobicContact CD1-CD2 4.5Å; L209-Y246 HydrophobicContact CD1-CE1 3.81Å; L209-Y246 HydrophobicContact CD1-CG 3.93Å; L209-Y246 HydrophobicContact CD2-CD1 4.05Å; L209-Y246 HydrophobicContact CD2-CG 3.84Å; L209-Y246 HydrophobicContact CG-CD1 4.44Å; G218-Y246 WeakPolarHBondContact O-CB 3.35Å; G218-Y246 PolarHBondContact O-N 2.94Å; I244-Y246 PolarHBondContact O-N 3.01Å; Y246-Q248 VanDerWaalsContact C-N 3.31Å; Y246-Q248 HydrophobicContact CD1-CB 4.05Å; Y246-Q248 HydrophobicContact CE1-CB 4.07Å; Y246-Q248 PolarHBondContact O-N 3.35Å; Y246-S250 VanDerWaalsContact CE1-O 3.3Å; Y246-S250 WeakPolarHBondContact CE1-O 3.34Å; Y246-C251 HydrophobicContact CE1-CB 4.47Å; Y246-C251 WeakPolarHBondContact OH-CA 3.33Å; Y246-D254 WeakPolarHBondContact OH-CA 3.36Å; Y246-D254 WeakPolarHBondContact OH-CB 3.33Å; Y246-D254 PolarHBondContact OH-N 3.2Å; Y246-D254 PolarHBondContact OH-O 3.08Å; Y246-I420 WeakPolarHBondContact O-CD1 3.2Å
247G94.4Very high93.1Very high0 Ų044 Ų440%025%0.245CC..  trans85.2-7.7171.900000116G218 Y245 G500 A501G218-G247 PolarHBondContact O-N 2.97Å; Y245-G247 VanDerWaalsContact CE2-CA 3.48Å; Y245-G247 VanDerWaalsContact CZ-CA 3.48Å; G247-G500 CarbonylContact O-C 3.55Å; G247-G500 VanDerWaalsContact O-CA 3.28Å; G247-G500 WeakPolarHBondContact O-CA 3.44Å; G247-A501 PolarHBondContact O-N 2.86Å
248Q94.1Very high93.3Very high33 Ų3343.5 Ų43.515%0.15424%0.242CC..SBendtrans-135.3153.3-178.3-64.4176.674.900110.2G218 Y246 S250 T253 H421 A501G218-Q248 WeakPolarHBondContact CA-O 3.39Å; Y246-Q248 VanDerWaalsContact C-N 3.31Å; Y246-Q248 HydrophobicContact CD1-CB 4.05Å; Y246-Q248 HydrophobicContact CE1-CB 4.07Å; Y246-Q248 PolarHBondContact O-N 3.35Å; Q248-S250 PolarHBondContact O-N 2.68Å; Q248-T253 PolarHBondContact NE2-OG1 2.98Å; Q248-T253 PolarHBondContact OE1-OG1 3.16Å; Q248-T253 VanDerWaalsContact OE1-OG1 3.08Å; Q248-H421 HydrophobicContact CG-CB 3.77Å; Q248-A501 HydrophobicContact CG-CB 4.06Å
249S93.9Very high93.6Very high47 Ų4739.9 Ų39.933%0.32922%0.22SC..SBendtrans-80.39.3176.764.10000113.8
250S94Very high94.1Very high22 Ų2239 Ų3915%0.15421%0.21CC..  trans-154.4143.7-172.7177.10000109.4Y246 Q248 E252 W284Y246-S250 VanDerWaalsContact CE1-O 3.3Å; Y246-S250 WeakPolarHBondContact CE1-O 3.34Å; Q248-S250 PolarHBondContact O-N 2.68Å; S250-E252 PolarHBondContact OG-N 3.19Å; S250-W284 VanDerWaalsContact OG-CH2 3.25Å; S250-W284 WeakPolarHBondContact OG-CH2 3.46Å; S250-W284 WeakPolarHBondContact OG-CZ2 3.49Å
251C94.1Very high94.5Very high0 Ų038.5 Ų38.50%021%0.206CC..  trans-94.78.3176.262.10000114L209 Y246 T253 D254 L255 Y258 M282L209-C251 HydrophobicContact CD1-CB 3.88Å; Y246-C251 HydrophobicContact CE1-CB 4.47Å; Y246-C251 WeakPolarHBondContact OH-CA 3.33Å; C251-T253 PolarHBondContact O-N 2.9Å; C251-D254 CarbonylContact O-C 3.43Å; C251-D254 PolarHBondContact O-N 3.32Å; C251-D254 VanDerWaalsContact O-N 3.07Å; C251-L255 WeakPolarHBondContact O-CD2 3.23Å; C251-Y258 HydrophobicContact CB-CD1 4.49Å; C251-Y258 HydrophobicContact CB-CD2 3.8Å; C251-Y258 HydrophobicContact CB-CG 3.73Å; C251-M282 HydrophobicContact CB-SD 4.48Å
252E92.8Very high94.9Very high144 Ų14434 Ų3467%0.67318%0.182SC*.THydrogen-bonded Turntrans-52.7-29.8-175.3-114.3149.8-134.700113.6S250 W284S250-E252 PolarHBondContact OG-N 3.19Å; E252-W284 HydrophobicContact CB-CH2 3.72Å; E252-W284 HydrophobicContact CG-CH2 3.32Å; E252-W284 HydrophobicContact CG-CZ2 3.99Å; E252-W284 HydrophobicContact CG-CZ3 4.08Å; E252-W284 WeakPolarHBondContact OE1-CH2 3.24Å; E252-W284 WeakPolarHBondContact OE1-CZ2 3.41Å
253T89.1Confident95Very high99 Ų9932.6 Ų32.661%0.60718%0.176SC*.THydrogen-bonded Turntrans-89.5-19.1-175.147.20000114.1Q248 C251Q248-T253 PolarHBondContact NE2-OG1 2.98Å; Q248-T253 PolarHBondContact OE1-OG1 3.16Å; Q248-T253 VanDerWaalsContact OE1-OG1 3.08Å; C251-T253 PolarHBondContact O-N 2.9Å
254D92.9Very high94.9Very high75 Ų7533.2 Ų33.240%0.40118%0.181SC..  trans-156.380.8-178.6179.418000111.8Y246 C251 G257 Y258Y246-D254 WeakPolarHBondContact OH-CA 3.36Å; Y246-D254 WeakPolarHBondContact OH-CB 3.33Å; Y246-D254 PolarHBondContact OH-N 3.2Å; Y246-D254 PolarHBondContact OH-O 3.08Å; C251-D254 CarbonylContact O-C 3.43Å; C251-D254 PolarHBondContact O-N 3.32Å; C251-D254 VanDerWaalsContact O-N 3.07Å; D254-G257 PolarHBondContact OD1-N 3.22Å; D254-G257 WeakPolarHBondContact OD2-CA 3.42Å; D254-Y258 PolarHBondContact O-N 2.96Å; D254-Y258 VanDerWaalsContact O-N 3.16Å
255L95.5Very high94.9Very high15 Ų1532.7 Ų32.78%0.07918%0.178CC..Hα-helixtrans-67-36.2-179.5-61.1179.1000112.5C251 Y258 L259 F288 L292 Y330C251-L255 WeakPolarHBondContact O-CD2 3.23Å; L255-Y258 PolarHBondContact O-N 2.78Å; L255-L259 PolarHBondContact O-N 2.88Å; L255-L259 VanDerWaalsContact O-N 3.07Å; L255-F288 HydrophobicContact CD1-CB 3.83Å; L255-F288 HydrophobicContact CD1-CD1 3.82Å; L255-F288 HydrophobicContact CD1-CD2 4.43Å; L255-F288 HydrophobicContact CD1-CG 3.78Å; L255-L292 HydrophobicContact CB-CD2 4.36Å; L255-L292 HydrophobicContact CD2-CD1 3.94Å; L255-L292 HydrophobicContact CD2-CD2 4.35Å; L255-L292 HydrophobicContact CD2-CG 4.45Å; L255-Y330 HydrophobicContact CB-CD1 4.12Å; L255-Y330 HydrophobicContact CB-CE1 3.6Å; L255-Y330 HydrophobicContact CB-CE2 4.45Å; L255-Y330 HydrophobicContact CD1-CD2 3.96Å; L255-Y330 HydrophobicContact CD1-CE1 4.26Å; L255-Y330 HydrophobicContact CD1-CE2 3.61Å; L255-Y330 HydrophobicContact CD1-CG 4.42Å
256D94.9Very high94.8Very high73 Ų7334.6 Ų34.639%0.3919%0.185SC..Hα-helixtrans-67-46.6178.7-74.2-48.8000111Y258 L259 E260 Y330 Q331D256-Y258 VanDerWaalsContact C-N 3.29Å; D256-Y258 PolarHBondContact O-N 2.92Å; D256-L259 PolarHBondContact O-N 2.94Å; D256-E260 WeakPolarHBondContact O-CB 3.46Å; D256-E260 PolarHBondContact O-N 3.45Å; D256-Y330 WeakPolarHBondContact OD1-CE1 3.5Å; D256-Q331 PolarHBondContact OD1-NE2 3.15Å
257G94.3Very high94.7Very high16 Ų1641.7 Ų41.717%0.16521%0.212CC..Hα-helixtrans-60.1-38175.300000112.6D254 S261D254-G257 PolarHBondContact OD1-N 3.22Å; D254-G257 WeakPolarHBondContact OD2-CA 3.42Å; G257-S261 VanDerWaalsContact O-CB 3.24Å; G257-S261 WeakPolarHBondContact O-CB 3.39Å; G257-S261 PolarHBondContact O-N 3.49Å; G257-S261 PolarHBondContact O-OG 3.18Å
258Y96.7Very high94.6Very high5 Ų547.2 Ų47.22%0.0223%0.233CC..Hα-helixtrans-62.7-48.9173.8172.1-95.8000112.3G207 L209 L220 C251 D254 L255 D256 S261 L262 M282 L292G207-Y258 WeakPolarHBondContact O-CE2 3.27Å; G207-Y258 PolarHBondContact O-OH 3.17Å; L209-Y258 HydrophobicContact CD1-CD2 4.13Å; L209-Y258 HydrophobicContact CG-CD2 4.49Å; L209-Y258 HydrophobicContact CG-CE2 4.5Å; L220-Y258 HydrophobicContact CD1-CD2 3.89Å; L220-Y258 HydrophobicContact CD1-CE2 4.31Å; L220-Y258 HydrophobicContact CD2-CD2 4.09Å; L220-Y258 HydrophobicContact CD2-CE2 3.73Å; C251-Y258 HydrophobicContact CB-CD1 4.49Å; C251-Y258 HydrophobicContact CB-CD2 3.8Å; C251-Y258 HydrophobicContact CB-CG 3.73Å; D254-Y258 PolarHBondContact O-N 2.96Å; D254-Y258 VanDerWaalsContact O-N 3.16Å; L255-Y258 PolarHBondContact O-N 2.78Å; D256-Y258 VanDerWaalsContact C-N 3.29Å; D256-Y258 PolarHBondContact O-N 2.92Å; Y258-S261 WeakPolarHBondContact O-CB 3.41Å; Y258-S261 PolarHBondContact O-N 3.08Å; Y258-L262 HydrophobicContact CD1-CD1 4.26Å; Y258-L262 HydrophobicContact CE1-CD1 3.58Å; Y258-L262 HydrophobicContact CE2-CD1 3.99Å; Y258-L262 VanDerWaalsContact CZ-CD1 3.42Å; Y258-L262 PolarHBondContact O-N 3.08Å; Y258-L262 VanDerWaalsContact O-N 3.15Å; Y258-L262 WeakPolarHBondContact OH-CD1 3.22Å; Y258-M282 HydrophobicContact CE2-SD 4.2Å; Y258-L292 HydrophobicContact CD1-CD1 4.01Å; Y258-L292 HydrophobicContact CD1-CD2 4.39Å; Y258-L292 HydrophobicContact CE1-CD1 3.98Å
259L96.8Very high94.4Very high1 Ų147 Ų471%0.00523%0.23CC..Hα-helixtrans-65.8-43.9179.1-72.5174.3000112.1L255 D256 S261 L262 K263 L292 D295 L296 F299 Y330 Q331L255-L259 PolarHBondContact O-N 2.88Å; L255-L259 VanDerWaalsContact O-N 3.07Å; D256-L259 PolarHBondContact O-N 2.94Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.5Å; L259-L262 PolarHBondContact O-N 2.82Å; L259-K263 VanDerWaalsContact O-CG 3.31Å; L259-K263 WeakPolarHBondContact O-CG 3.47Å; L259-K263 PolarHBondContact O-N 2.85Å; L259-L292 HydrophobicContact CD1-CD2 3.73Å; L259-L292 HydrophobicContact CD2-CD2 3.9Å; L259-L292 HydrophobicContact CG-CD2 3.74Å; L259-D295 HydrophobicContact CD1-CB 4.49Å; L259-D295 HydrophobicContact CD2-CB 4.28Å; L259-L296 HydrophobicContact CD2-CD2 4.09Å; L259-L296 HydrophobicContact CD2-CG 4.35Å; L259-F299 HydrophobicContact CD1-CE2 4.43Å; L259-F299 HydrophobicContact CD2-CE2 4.46Å; L259-Y330 HydrophobicContact CD1-CD1 3.92Å; L259-Q331 VanDerWaalsContact CD1-CD 3.45Å; L259-Q331 HydrophobicContact CD1-CG 3.85Å
260E96.1Very high93.9Very high69 Ų6948.9 Ų48.932%0.32224%0.242SC..Hα-helixtrans-66-33.8177.5-73.5-50.8126.900112.4D256 K263 S264 R267D256-E260 WeakPolarHBondContact O-CB 3.46Å; D256-E260 PolarHBondContact O-N 3.45Å; E260-K263 WeakPolarHBondContact OE1-CD 3.25Å; E260-K263 IonicContact OE1-NZ 3.47Å; E260-K263 PolarHBondContact OE1-NZ 2.74Å; E260-S264 WeakPolarHBondContact O-CB 3.47Å; E260-S264 PolarHBondContact O-N 3.44Å; E260-R267 IonicContact OE2-NH1 3.05Å
261S96.4Very high92.8Very high3 Ų356.8 Ų56.82%0.02128%0.276CS..Hα-helixtrans-59.6-50.5171.8-63.70000111.6G257 Y258 L259 S264 L265 L461G257-S261 VanDerWaalsContact O-CB 3.24Å; G257-S261 WeakPolarHBondContact O-CB 3.39Å; G257-S261 PolarHBondContact O-N 3.49Å; G257-S261 PolarHBondContact O-OG 3.18Å; Y258-S261 WeakPolarHBondContact O-CB 3.41Å; Y258-S261 PolarHBondContact O-N 3.08Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.5Å; S261-S264 WeakPolarHBondContact O-CB 3.34Å; S261-S264 PolarHBondContact O-N 2.84Å; S261-L265 WeakPolarHBondContact O-CG 3.46Å; S261-L265 PolarHBondContact O-N 3.32Å; S261-L461 WeakPolarHBondContact OG-CD1 3.48Å
262L97.3Very high91.7Very high2 Ų258.9 Ų58.91%0.0129%0.291CS..Hα-helixtrans-65.6-40.8179.7-71.9175.1000112.5L205 L220 Y258 L259 S264 L265 W266 L296L205-L262 HydrophobicContact CD1-CD2 4.14Å; L205-L262 HydrophobicContact CD2-CD2 4.26Å; L205-L262 HydrophobicContact CG-CD2 4.12Å; L220-L262 HydrophobicContact CB-CD2 4.5Å; L220-L262 HydrophobicContact CD1-CG 4.4Å; L220-L262 HydrophobicContact CD2-CD2 4.24Å; Y258-L262 HydrophobicContact CD1-CD1 4.26Å; Y258-L262 HydrophobicContact CE1-CD1 3.58Å; Y258-L262 HydrophobicContact CE2-CD1 3.99Å; Y258-L262 VanDerWaalsContact CZ-CD1 3.42Å; Y258-L262 PolarHBondContact O-N 3.08Å; Y258-L262 VanDerWaalsContact O-N 3.15Å; Y258-L262 WeakPolarHBondContact OH-CD1 3.22Å; L259-L262 PolarHBondContact O-N 2.82Å; L262-S264 VanDerWaalsContact C-N 3.34Å; L262-S264 PolarHBondContact O-N 3.22Å; L262-L265 HydrophobicContact CD2-CD1 4.48Å; L262-L265 PolarHBondContact O-N 2.81Å; L262-W266 WeakPolarHBondContact O-CB 3.47Å; L262-W266 PolarHBondContact O-N 3.09Å; L262-L296 HydrophobicContact CB-CD2 4.35Å; L262-L296 HydrophobicContact CD1-CD1 4.2Å; L262-L296 HydrophobicContact CD1-CD2 3.63Å
263K96Very high90.4Very high30 Ų3061.8 Ų61.813%0.1330%0.295CS..Hα-helixtrans-61.8-42.3173.2-69.3172.9-165.1168.60111.4L259 E260 W266 R267 F299L259-K263 VanDerWaalsContact O-CG 3.31Å; L259-K263 WeakPolarHBondContact O-CG 3.47Å; L259-K263 PolarHBondContact O-N 2.85Å; E260-K263 WeakPolarHBondContact OE1-CD 3.25Å; E260-K263 IonicContact OE1-NZ 3.47Å; E260-K263 PolarHBondContact OE1-NZ 2.74Å; K263-W266 PolarHBondContact O-N 2.88Å; K263-R267 VanDerWaalsContact O-CG 3.24Å; K263-R267 WeakPolarHBondContact O-CG 3.23Å; K263-R267 PolarHBondContact O-N 3Å; K263-F299 HydrophobicContact CD-CD2 4.47Å
264S95.5Very high89.9Confident22 Ų2265.1 Ų65.115%0.15430%0.304CS..Hα-helixtrans-62.6-45.9177.6-176.80000111.7E260 S261 L262 R267 R268E260-S264 WeakPolarHBondContact O-CB 3.47Å; E260-S264 PolarHBondContact O-N 3.44Å; S261-S264 WeakPolarHBondContact O-CB 3.34Å; S261-S264 PolarHBondContact O-N 2.84Å; L262-S264 VanDerWaalsContact C-N 3.34Å; L262-S264 PolarHBondContact O-N 3.22Å; S264-R267 PolarHBondContact O-N 3.06Å; S264-R268 WeakPolarHBondContact O-CG 3.33Å; S264-R268 PolarHBondContact O-N 2.74Å
265L95.9Very high89.7Confident2 Ų263.5 Ų63.51%0.0130%0.295CS..Hα-helixtrans-60.4-45.8174.7-70.9167.9000111.3L205 L220 L222 H242 I244 S261 L262 R267 R268 R269L205-L265 HydrophobicContact CD1-CB 3.87Å; L205-L265 HydrophobicContact CD1-CD1 4.29Å; L220-L265 HydrophobicContact CB-CD1 3.69Å; L222-L265 HydrophobicContact CB-CB 4.45Å; L222-L265 HydrophobicContact CB-CD2 4.46Å; H242-L265 HydrophobicContact CB-CD2 3.66Å; H242-L265 WeakPolarHBondContact O-CD2 3.48Å; I244-L265 HydrophobicContact CD1-CD1 4.32Å; I244-L265 HydrophobicContact CD1-CD2 4.18Å; I244-L265 HydrophobicContact CD1-CG 3.88Å; I244-L265 HydrophobicContact CG1-CD2 4.18Å; I244-L265 HydrophobicContact CG1-CG 4.35Å; S261-L265 WeakPolarHBondContact O-CG 3.46Å; S261-L265 PolarHBondContact O-N 3.32Å; L262-L265 HydrophobicContact CD2-CD1 4.48Å; L262-L265 PolarHBondContact O-N 2.81Å; L265-R267 PolarHBondContact O-N 2.9Å; L265-R268 PolarHBondContact O-N 2.71Å; L265-R268 VanDerWaalsContact O-N 3.16Å; L265-R269 PolarHBondContact O-N 3.46Å
266W94.6Very high89.7Confident49 Ų4963 Ų6319%0.18629%0.292CS..Hα-helixtrans-59.8-44.2177.1-173.7-92.4000112.8V173 L205 L262 K263 R268 R269 V277 I279 L300 P301V173-W266 HydrophobicContact CG1-CH2 3.78Å; V173-W266 HydrophobicContact CG1-CZ3 4.18Å; V173-W266 HydrophobicContact CG2-CH2 3.86Å; V173-W266 HydrophobicContact CG2-CZ2 4.5Å; L205-W266 HydrophobicContact CD2-CE3 4.14Å; L262-W266 WeakPolarHBondContact O-CB 3.47Å; L262-W266 PolarHBondContact O-N 3.09Å; K263-W266 PolarHBondContact O-N 2.88Å; W266-R268 PolarHBondContact O-N 2.95Å; W266-R269 WeakPolarHBondContact O-CB 3.4Å; W266-R269 PolarHBondContact O-N 2.95Å; W266-V277 HydrophobicContact CH2-CB 4.5Å; W266-V277 HydrophobicContact CH2-CG1 4.3Å; W266-V277 HydrophobicContact CH2-CG2 4.28Å; W266-V277 HydrophobicContact CZ3-CG1 3.86Å; W266-I279 HydrophobicContact CZ3-CD1 4.35Å; W266-L300 HydrophobicContact CB-CD2 3.85Å; W266-L300 HydrophobicContact CD2-CD2 3.62Å; W266-L300 HydrophobicContact CE3-CD1 4.42Å; W266-L300 HydrophobicContact CE3-CD2 3.91Å; W266-L300 HydrophobicContact CG-CD2 3.54Å; W266-P301 HydrophobicContact CH2-CG 4.05Å; W266-P301 HydrophobicContact CZ2-CG 3.3Å
267R93.6Very high89.7Confident168 Ų16859.5 Ų59.563%0.63427%0.274SS*.Hα-helixtrans-61.6-26.6178.4-72.7169.3-169.5133-2.1113E260 K263 S264 L265E260-R267 IonicContact OE2-NH1 3.05Å; K263-R267 VanDerWaalsContact O-CG 3.24Å; K263-R267 WeakPolarHBondContact O-CG 3.23Å; K263-R267 PolarHBondContact O-N 3Å; S264-R267 PolarHBondContact O-N 3.06Å; L265-R267 PolarHBondContact O-N 2.9Å
268R91.7Very high89.9Confident117 Ų11758.7 Ų58.744%0.44227%0.266SS..Hα-helixtrans-83.9-12.7177.9-66.8174.1-179.9-95.1-1.8113.4H242 S264 L265 W266H242-R268 WeakPolarHBondContact CD2-CB 3.41Å; S264-R268 WeakPolarHBondContact O-CG 3.33Å; S264-R268 PolarHBondContact O-N 2.74Å; L265-R268 PolarHBondContact O-N 2.71Å; L265-R268 VanDerWaalsContact O-N 3.16Å; W266-R268 PolarHBondContact O-N 2.95Å
269R89.9Confident90Very high27 Ų2758.6 Ų58.610%0.10227%0.266CS..SBendtrans-59.7130.9177.2-172.5-176173.9-99.8-2110.3D203 L222 L265 W266 Q271 S272 I275 V277D203-R269 IonicContact OD2-CZ 3.9Å; D203-R269 IonicContact OD2-NE 3.01Å; D203-R269 PolarHBondContact OD2-NE 2.86Å; D203-R269 IonicContact OD2-NH2 3.75Å; D203-R269 PolarHBondContact OD2-NH2 2.81Å; L222-R269 HydrophobicContact CD2-CB 3.58Å; L222-R269 HydrophobicContact CD2-CG 3.95Å; L265-R269 PolarHBondContact O-N 3.46Å; W266-R269 WeakPolarHBondContact O-CB 3.4Å; W266-R269 PolarHBondContact O-N 2.95Å; R269-Q271 PolarHBondContact O-N 2.74Å; R269-S272 PolarHBondContact NH1-O 3.12Å; R269-I275 PolarHBondContact NH2-O 3.42Å; R269-V277 VanDerWaalsContact NE-CG2 3.3Å; R269-V277 VanDerWaalsContact NH2-CG2 3.33Å
270P83.4Confident90Very high88 Ų8858.5 Ų58.557%0.57127%0.265SS*.  trans-56.4133.1169.3-2333.3000110.7S272P270-S272 PolarHBondContact O-N 2.59Å
271Q71.3Confident90Very high188 Ų18855.3 Ų55.388%0.87925%0.25SS*.  trans-78.447.3-179.3-63.6-173.1-0.700112.5R269 R273R269-Q271 PolarHBondContact O-N 2.74Å; Q271-R273 PolarHBondContact O-N 3.43Å
272S71.6Confident89.9Confident43 Ų4355.7 Ų55.730%0.30125%0.252SS..  trans-71.8127.1168.8-177.60000109.2R269 P270 E274R269-S272 PolarHBondContact NH1-O 3.12Å; P270-S272 PolarHBondContact O-N 2.59Å; S272-E274 PolarHBondContact O-N 3.26Å
273R64.4Low89.7Confident205 Ų20556 Ų5677%0.77426%0.256SS*.SBendtrans-79-6.7-178.7-69-172.9174.5-170.2-1.8113.4G170 C171 Q271G170-R273 CarbonylContact C-O 3.55Å; C171-R273 WeakPolarHBondContact CA-O 3.44Å; C171-R273 WeakPolarHBondContact CB-O 3.49Å; C171-R273 PolarHBondContact N-O 3Å; Q271-R273 PolarHBondContact O-N 3.43Å
274E79.1Confident89.5Confident170 Ų17056.6 Ų56.679%0.79426%0.257SS*.SBendtrans-112.4-17.6-168.6-63.5178.5179.100114.4S272 P276S272-E274 PolarHBondContact O-N 3.26Å; E274-P276 WeakPolarHBondContact O-CD 3.34Å
275I89.9Confident89.3Confident40 Ų4056 Ų5621%0.20525%0.253CS..SBendtrans-87.5113.8-175.5-57.9173000109.4C171 N201 D203 R269C171-I275 PolarHBondContact SG-O 2.97Å; N201-I275 HydrophobicContact CB-CG2 4.19Å; D203-I275 HydrophobicContact CB-CG2 4.29Å; R269-I275 PolarHBondContact NH2-O 3.42Å
276P94Very high89.1Confident4 Ų463 Ų633%0.02628%0.283CS..  trans-61.9147.1179.427.5-35.1000111.4C164 A172 L195 V202 D203 E274C164-P276 HydrophobicContact CB-CB 4.29Å; A172-P276 WeakPolarHBondContact O-CA 3.35Å; L195-P276 HydrophobicContact CD1-CB 4.45Å; L195-P276 HydrophobicContact CD1-CG 4.28Å; V202-P276 HydrophobicContact CG1-CG 4.42Å; V202-P276 HydrophobicContact CG2-CG 4.24Å; D203-P276 PolarHBondContact N-O 3.49Å; E274-P276 WeakPolarHBondContact O-CD 3.34Å
277V95.6Very high89Confident0 Ų063.3 Ų63.30%030%0.301CS..EExtended strand (participates in β ladder)trans-118128.6-179-168.10000110.7A172 V173 I174 D203 W266 R269 I279A172-V277 PolarHBondContact O-N 2.82Å; V173-V277 WeakPolarHBondContact CA-O 3.46Å; V173-V277 HydrophobicContact CG1-CB 4.36Å; V173-V277 HydrophobicContact CG2-CB 4.29Å; V173-V277 HydrophobicContact CG2-CG2 4.27Å; I174-V277 WeakPolarHBondContact CD1-O 3.47Å; I174-V277 PolarHBondContact N-O 2.97Å; D203-V277 HydrophobicContact CB-CB 4.41Å; D203-V277 HydrophobicContact CB-CG1 4.18Å; D203-V277 HydrophobicContact CB-CG2 4.08Å; D203-V277 CarbonylContact O-C 3.4Å; D203-V277 VanDerWaalsContact O-CA 3.32Å; D203-V277 WeakPolarHBondContact O-CA 3.4Å; W266-V277 HydrophobicContact CH2-CB 4.5Å; W266-V277 HydrophobicContact CH2-CG1 4.3Å; W266-V277 HydrophobicContact CH2-CG2 4.28Å; W266-V277 HydrophobicContact CZ3-CG1 3.86Å; R269-V277 VanDerWaalsContact NE-CG2 3.3Å; R269-V277 VanDerWaalsContact NH2-CG2 3.33Å; V277-I279 HydrophobicContact CG1-CG1 4.43Å
278I98Very high89Confident0 Ų061 Ų610%030%0.296CS..EExtended strand (participates in β ladder)trans-109.3128.4171.8-61169.3000108.8I174 V176 I188 L191 I192 L195 V202 D203 Y204 L205I174-I278 HydrophobicContact CD1-CG1 4.49Å; I174-I278 CarbonylContact O-C 3.55Å; I174-I278 WeakPolarHBondContact O-CA 3.31Å; V176-I278 HydrophobicContact CG2-CG2 4.46Å; I188-I278 HydrophobicContact CG1-CG2 4.14Å; I188-I278 HydrophobicContact CG2-CG2 4.18Å; L191-I278 HydrophobicContact CB-CD1 4.43Å; L191-I278 HydrophobicContact CD2-CD1 3.69Å; L191-I278 HydrophobicContact CD2-CG1 4.01Å; L191-I278 HydrophobicContact CG-CD1 3.8Å; I192-I278 HydrophobicContact CD1-CD1 4.34Å; I192-I278 HydrophobicContact CG1-CD1 3.44Å; I192-I278 VanDerWaalsContact CG1-CD1 3.44Å; L195-I278 HydrophobicContact CD1-CD1 4.11Å; V202-I278 HydrophobicContact CG1-CD1 3.74Å; V202-I278 HydrophobicContact CG1-CG1 4.08Å; D203-I278 PolarHBondContact O-N 2.75Å; Y204-I278 WeakPolarHBondContact CA-O 3.31Å; Y204-I278 HydrophobicContact CD2-CB 4.27Å; Y204-I278 HydrophobicContact CD2-CG2 4.29Å; Y204-I278 HydrophobicContact CE2-CG2 4.36Å; L205-I278 PolarHBondContact N-O 2.93Å
279I98.3Very high89Confident2 Ų255.6 Ų55.61%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-108.8112.5177.1-55.6163000107.9V173 I174 L175 V176 L205 W266 V277 T281 L300 V302V173-I279 HydrophobicContact CG1-CD1 3.6Å; V173-I279 HydrophobicContact CG1-CG1 4.4Å; I174-I279 PolarHBondContact O-N 2.79Å; L175-I279 HydrophobicContact CB-CB 4.38Å; L175-I279 HydrophobicContact CB-CD1 4.43Å; L175-I279 HydrophobicContact CD1-CG2 4.39Å; L175-I279 HydrophobicContact CG-CB 4.43Å; L175-I279 HydrophobicContact CG-CG2 4.41Å; V176-I279 PolarHBondContact N-O 3.15Å; L205-I279 HydrophobicContact CB-CG1 4.1Å; L205-I279 HydrophobicContact CB-CG2 4.45Å; L205-I279 HydrophobicContact CD2-CG1 4.1Å; L205-I279 HydrophobicContact CD2-CG2 4.08Å; L205-I279 WeakPolarHBondContact O-CA 3.46Å; W266-I279 HydrophobicContact CZ3-CD1 4.35Å; V277-I279 HydrophobicContact CG1-CG1 4.43Å; I279-T281 HydrophobicContact CG2-CG2 4.26Å; I279-L300 HydrophobicContact CD1-CB 4.48Å; I279-L300 HydrophobicContact CD1-CD1 3.64Å; I279-V302 HydrophobicContact CD1-CG2 4.29Å
280N97.9Very high89.2Confident0 Ų055.6 Ų55.60%028%0.277CS..EExtended strand (participates in β ladder)trans-82.4142.2169.1-17432.8000110I188 Y204 L205 E206 G207I188-N280 HydrophobicContact CD1-CB 3.77Å; I188-N280 VanDerWaalsContact CD1-OD1 3.29Å; I188-N280 WeakPolarHBondContact CD1-OD1 3.23Å; Y204-N280 HydrophobicContact CE2-CB 4.01Å; Y204-N280 WeakPolarHBondContact OH-CB 3.17Å; Y204-N280 PolarHBondContact OH-ND2 3.38Å; L205-N280 PolarHBondContact O-N 2.85Å; E206-N280 PolarHBondContact OE1-ND2 2.89Å; G207-N280 VanDerWaalsContact CA-O 3.24Å; G207-N280 WeakPolarHBondContact CA-O 3.17Å; G207-N280 PolarHBondContact N-O 2.92Å
281T96.4Very high89.8Confident1 Ų154 Ų541%0.00626%0.262CS..  trans-129.9155-179.666.10000111.4L175 V176 Y177 K184 I279 L293 L296L175-T281 HydrophobicContact CD1-CG2 4.26Å; L175-T281 HydrophobicContact CD2-CG2 4.08Å; L175-T281 HydrophobicContact CG-CG2 3.96Å; V176-T281 PolarHBondContact O-OG1 3.25Å; Y177-T281 WeakPolarHBondContact CA-OG1 3.15Å; Y177-T281 WeakPolarHBondContact CB-OG1 3.24Å; K184-T281 VanDerWaalsContact CE-O 3.25Å; K184-T281 WeakPolarHBondContact CE-O 3.38Å; I279-T281 HydrophobicContact CG2-CG2 4.26Å; T281-L293 HydrophobicContact CG2-CD2 3.94Å; T281-L296 HydrophobicContact CG2-CD1 4.44Å
282M94.3Very high91Very high12 Ų1245.4 Ų45.46%0.05922%0.222CC..  trans-56.7154.3173.1-60.8-178.679.800112G207 C251 Y258 W284G207-M282 WeakPolarHBondContact O-CG 3.32Å; C251-M282 HydrophobicContact CB-SD 4.48Å; Y258-M282 HydrophobicContact CE2-SD 4.2Å; M282-W284 HydrophobicContact CB-CG 4.44Å; M282-W284 HydrophobicContact CE-CD2 4.36Å; M282-W284 HydrophobicContact CE-CZ2 4.05Å; M282-W284 PolarHBondContact O-N 2.93Å
283G91.9Very high92.1Very high9 Ų943.6 Ų43.69%0.09321%0.209CC..SBendtrans-71.223.8172.900000116.1G178G178-G283 WeakPolarHBondContact O-CA 3.46Å
284W92Very high93.6Very high41 Ų4133.8 Ų33.816%0.15517%0.172CC..  trans-99.3115.8-178.3-66.211.9000110.7S250 E252 M282 G289 L293S250-W284 VanDerWaalsContact OG-CH2 3.25Å; S250-W284 WeakPolarHBondContact OG-CH2 3.46Å; S250-W284 WeakPolarHBondContact OG-CZ2 3.49Å; E252-W284 HydrophobicContact CB-CH2 3.72Å; E252-W284 HydrophobicContact CG-CH2 3.32Å; E252-W284 HydrophobicContact CG-CZ2 3.99Å; E252-W284 HydrophobicContact CG-CZ3 4.08Å; E252-W284 WeakPolarHBondContact OE1-CH2 3.24Å; E252-W284 WeakPolarHBondContact OE1-CZ2 3.41Å; M282-W284 HydrophobicContact CB-CG 4.44Å; M282-W284 HydrophobicContact CE-CD2 4.36Å; M282-W284 HydrophobicContact CE-CZ2 4.05Å; M282-W284 PolarHBondContact O-N 2.93Å; W284-G289 CarbonylContact O-C 3.58Å; W284-L293 WeakPolarHBondContact O-CD1 3.43Å
285V91Very high94.4Very high10 Ų1025.7 Ų25.76%0.06114%0.135CC..  trans-12813.9-174.5-55.30000113.2Y177 V179 F290 L293 C316Y177-V285 HydrophobicContact CD2-CG1 4.32Å; V179-V285 HydrophobicContact CB-CG2 4.5Å; V179-V285 HydrophobicContact CG1-CG1 4.44Å; V179-V285 HydrophobicContact CG1-CG2 3.36Å; V285-F290 WeakPolarHBondContact O-CD2 3.01Å; V285-L293 HydrophobicContact CG1-CD1 4.34Å; V285-C316 HydrophobicContact CB-CB 4.08Å; V285-C316 VanDerWaalsContact CB-SG 3.51Å; V285-C316 HydrophobicContact CG1-CB 4.49Å; V285-C316 HydrophobicContact CG2-CB 3.83Å
286K91.4Very high94.6Very high150 Ų15024 Ų2465%0.65213%0.126SC*.SBendtrans-136.5158.5179.9-62.8-175.9-179.8179.50109.4G289 F290 Q315K286-G289 PolarHBondContact O-N 3.3Å; K286-F290 PolarHBondContact O-N 2.98Å; K286-Q315 VanDerWaalsContact CE-O 3.32Å; K286-Q315 WeakPolarHBondContact CE-O 3.31Å
287G93.1Very high94.7Very high54 Ų5424.1 Ų24.156%0.55713%0.126SC*.Hα-helixtrans54.8-136.917800000112.2G289 F290 Q291G287-G289 VanDerWaalsContact C-N 3.27Å; G287-G289 PolarHBondContact O-N 3.15Å; G287-F290 WeakPolarHBondContact O-CB 3.37Å; G287-F290 PolarHBondContact O-N 3.45Å; G287-F290 VanDerWaalsContact O-N 3.07Å; G287-Q291 PolarHBondContact O-N 3.49Å
288F93.9Very high94.5Very high120 Ų12026.8 Ų26.853%0.52614%0.136SC..Hα-helixtrans-55.5-38.5178.1-68.9-61.2000113.3L255 F290 Q291 L292 Y330L255-F288 HydrophobicContact CD1-CB 3.83Å; L255-F288 HydrophobicContact CD1-CD1 3.82Å; L255-F288 HydrophobicContact CD1-CD2 4.43Å; L255-F288 HydrophobicContact CD1-CG 3.78Å; F288-F290 VanDerWaalsContact C-N 3.28Å; F288-F290 PolarHBondContact O-N 3.4Å; F288-Q291 VanDerWaalsContact CD1-OE1 3.26Å; F288-Q291 WeakPolarHBondContact O-CA 3.47Å; F288-Q291 WeakPolarHBondContact O-CB 3.28Å; F288-Q291 PolarHBondContact O-N 2.92Å; F288-L292 WeakPolarHBondContact O-CG 3.49Å; F288-L292 PolarHBondContact O-N 2.86Å; F288-Y330 AromaticContact CD1-CD2 3.84Å; F288-Y330 HydrophobicContact CD1-CD2 3.84Å; F288-Y330 HydrophobicContact CD1-CE2 4.13Å; F288-Y330 HydrophobicContact CE1-CD2 4.09Å; F288-Y330 HydrophobicContact CE1-CE2 4.1Å
289G92.7Very high94.2Very high4 Ų430 Ų304%0.04115%0.15CC..Hα-helixtrans-62.9-34.3178.100000113.8W284 K286 G287 L292 L293W284-G289 CarbonylContact O-C 3.58Å; K286-G289 PolarHBondContact O-N 3.3Å; G287-G289 VanDerWaalsContact C-N 3.27Å; G287-G289 PolarHBondContact O-N 3.15Å; G289-L292 PolarHBondContact O-N 2.94Å; G289-L293 WeakPolarHBondContact O-CG 3.47Å; G289-L293 PolarHBondContact O-N 2.97Å
290F93.5Very high93.9Very high26 Ų2630 Ų3011%0.11415%0.151CC..Hα-helixtrans-66.9-41.9172.3-172.7-97.8000111.8V285 K286 G287 F288 L292 L293 V294 L319 F323V285-F290 WeakPolarHBondContact O-CD2 3.01Å; K286-F290 PolarHBondContact O-N 2.98Å; G287-F290 WeakPolarHBondContact O-CB 3.37Å; G287-F290 PolarHBondContact O-N 3.45Å; G287-F290 VanDerWaalsContact O-N 3.07Å; F288-F290 VanDerWaalsContact C-N 3.28Å; F288-F290 PolarHBondContact O-N 3.4Å; F290-L292 VanDerWaalsContact C-N 3.32Å; F290-L292 PolarHBondContact O-N 2.66Å; F290-L293 WeakPolarHBondContact O-CB 3.48Å; F290-L293 PolarHBondContact O-N 3.13Å; F290-V294 HydrophobicContact CD1-CG2 4.24Å; F290-V294 HydrophobicContact CE1-CG2 3.98Å; F290-V294 PolarHBondContact O-N 2.81Å; F290-V294 VanDerWaalsContact O-N 3.11Å; F290-L319 HydrophobicContact CE1-CD2 4.11Å; F290-L319 HydrophobicContact CE2-CD1 4.39Å; F290-L319 HydrophobicContact CE2-CD2 3.67Å; F290-L319 HydrophobicContact CE2-CG 3.97Å; F290-L319 HydrophobicContact CZ-CD2 3.37Å; F290-L319 HydrophobicContact CZ-CG 4.15Å; F290-F323 AromaticContact CE1-CE1 3.63Å; F290-F323 HydrophobicContact CE1-CE1 3.63Å; F290-F323 AromaticContact CE1-CZ 3.9Å; F290-F323 HydrophobicContact CE1-CZ 3.9Å; F290-F323 HydrophobicContact CZ-CD1 4.35Å; F290-F323 AromaticContact CZ-CE1 3.35Å; F290-F323 HydrophobicContact CZ-CE1 3.35Å; F290-F323 AromaticContact CZ-CZ 3.76Å; F290-F323 HydrophobicContact CZ-CZ 3.76Å
291Q95.3Very high93.6Very high55 Ų5532.7 Ų32.726%0.25717%0.168SC..Hα-helixtrans-62.2-39.2176.8-67.9-179.4-15.600111.9G287 F288 L293 V294 D295 G329G287-Q291 PolarHBondContact O-N 3.49Å; F288-Q291 VanDerWaalsContact CD1-OE1 3.26Å; F288-Q291 WeakPolarHBondContact O-CA 3.47Å; F288-Q291 WeakPolarHBondContact O-CB 3.28Å; F288-Q291 PolarHBondContact O-N 2.92Å; Q291-L293 PolarHBondContact O-N 2.85Å; Q291-V294 WeakPolarHBondContact O-CB 3.38Å; Q291-V294 PolarHBondContact O-N 3.28Å; Q291-D295 PolarHBondContact O-N 2.74Å; Q291-G329 WeakPolarHBondContact O-CA 3.39Å
292L96.3Very high93.5Very high7 Ų732.9 Ų32.94%0.03717%0.169CC..Hα-helixtrans-61.2-41.8172.3-64.1178.1000112.1L255 Y258 L259 F288 G289 F290 V294 D295 L296 Y330L255-L292 HydrophobicContact CB-CD2 4.36Å; L255-L292 HydrophobicContact CD2-CD1 3.94Å; L255-L292 HydrophobicContact CD2-CD2 4.35Å; L255-L292 HydrophobicContact CD2-CG 4.45Å; Y258-L292 HydrophobicContact CD1-CD1 4.01Å; Y258-L292 HydrophobicContact CD1-CD2 4.39Å; Y258-L292 HydrophobicContact CE1-CD1 3.98Å; L259-L292 HydrophobicContact CD1-CD2 3.73Å; L259-L292 HydrophobicContact CD2-CD2 3.9Å; L259-L292 HydrophobicContact CG-CD2 3.74Å; F288-L292 WeakPolarHBondContact O-CG 3.49Å; F288-L292 PolarHBondContact O-N 2.86Å; G289-L292 PolarHBondContact O-N 2.94Å; F290-L292 VanDerWaalsContact C-N 3.32Å; F290-L292 PolarHBondContact O-N 2.66Å; L292-V294 VanDerWaalsContact C-N 3.32Å; L292-V294 PolarHBondContact O-N 3.12Å; L292-D295 WeakPolarHBondContact O-CB 3.25Å; L292-D295 PolarHBondContact O-N 2.89Å; L292-L296 VanDerWaalsContact O-CG 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 2.87Å; L292-Y330 HydrophobicContact CD2-CD1 4.41Å
293L95.9Very high93.5Very high5 Ų534 Ų343%0.02618%0.176CC..Hα-helixtrans-61.8-42177.3-70.9170000111.6Y177 T281 W284 V285 G289 F290 Q291 D295 L296 I297 L319Y177-L293 HydrophobicContact CD2-CD1 3.7Å; Y177-L293 HydrophobicContact CE2-CD1 4.45Å; Y177-L293 HydrophobicContact CG-CD1 4.28Å; Y177-L293 HydrophobicContact CG-CD2 4.48Å; T281-L293 HydrophobicContact CG2-CD2 3.94Å; W284-L293 WeakPolarHBondContact O-CD1 3.43Å; V285-L293 HydrophobicContact CG1-CD1 4.34Å; G289-L293 WeakPolarHBondContact O-CG 3.47Å; G289-L293 PolarHBondContact O-N 2.97Å; F290-L293 WeakPolarHBondContact O-CB 3.48Å; F290-L293 PolarHBondContact O-N 3.13Å; Q291-L293 PolarHBondContact O-N 2.85Å; L293-D295 VanDerWaalsContact C-N 3.35Å; L293-L296 PolarHBondContact O-N 3.46Å; L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.06Å; L293-I297 PolarHBondContact O-N 3.11Å; L293-I297 VanDerWaalsContact O-N 3.08Å; L293-L319 HydrophobicContact CB-CD1 3.91Å; L293-L319 HydrophobicContact CD1-CD1 4.36Å
294V95.1Very high93.7Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-59.2-47.3174.8169.80000110.7F290 Q291 L292 I297 R298 L319 L324 A327F290-V294 HydrophobicContact CD1-CG2 4.24Å; F290-V294 HydrophobicContact CE1-CG2 3.98Å; F290-V294 PolarHBondContact O-N 2.81Å; F290-V294 VanDerWaalsContact O-N 3.11Å; Q291-V294 WeakPolarHBondContact O-CB 3.38Å; Q291-V294 PolarHBondContact O-N 3.28Å; L292-V294 VanDerWaalsContact C-N 3.32Å; L292-V294 PolarHBondContact O-N 3.12Å; V294-I297 PolarHBondContact O-N 3.27Å; V294-R298 VanDerWaalsContact CG1-CZ 3.46Å; V294-R298 VanDerWaalsContact CG1-NH1 3.34Å; V294-R298 WeakPolarHBondContact O-CG 3.41Å; V294-R298 PolarHBondContact O-N 2.78Å; V294-R298 VanDerWaalsContact O-N 3.12Å; V294-L319 HydrophobicContact CG2-CD2 3.83Å; V294-L324 HydrophobicContact CB-CD1 4.25Å; V294-L324 HydrophobicContact CG1-CD1 3.86Å; V294-L324 HydrophobicContact CG2-CD1 4.2Å; V294-A327 HydrophobicContact CG1-CB 4.11Å; V294-A327 HydrophobicContact CG2-CB 3.8Å
295D95.4Very high93.9Very high0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-61.2-45.4177.4-77-18.4000112.3L259 Q291 L292 L293 I297 R298 F299 G329 Y330 Q331 T332L259-D295 HydrophobicContact CD1-CB 4.49Å; L259-D295 HydrophobicContact CD2-CB 4.28Å; Q291-D295 PolarHBondContact O-N 2.74Å; L292-D295 WeakPolarHBondContact O-CB 3.25Å; L292-D295 PolarHBondContact O-N 2.89Å; L293-D295 VanDerWaalsContact C-N 3.35Å; D295-I297 VanDerWaalsContact C-N 3.34Å; D295-I297 PolarHBondContact O-N 3.41Å; D295-R298 PolarHBondContact O-N 3.08Å; D295-R298 VanDerWaalsContact O-N 3.12Å; D295-F299 HydrophobicContact CB-CD2 3.99Å; D295-F299 HydrophobicContact CB-CE2 3.57Å; D295-F299 HydrophobicContact CB-CZ 4.18Å; D295-F299 WeakPolarHBondContact O-CB 3.28Å; D295-F299 WeakPolarHBondContact O-CD2 3.27Å; D295-F299 WeakPolarHBondContact O-CG 3.42Å; D295-F299 PolarHBondContact O-N 3.31Å; D295-G329 WeakPolarHBondContact OD1-CA 3.15Å; D295-Y330 PolarHBondContact OD1-N 2.64Å; D295-Y330 VanDerWaalsContact OD2-CA 3.32Å; D295-Y330 WeakPolarHBondContact OD2-CA 3.14Å; D295-Y330 VanDerWaalsContact OD2-CB 3.25Å; D295-Y330 WeakPolarHBondContact OD2-CB 3.19Å; D295-Y330 PolarHBondContact OD2-N 3.4Å; D295-Q331 PolarHBondContact OD1-N 3.02Å; D295-Q331 PolarHBondContact OD2-N 3.38Å; D295-T332 VanDerWaalsContact OD1-CB 3.28Å; D295-T332 WeakPolarHBondContact OD1-CB 3.39Å; D295-T332 WeakPolarHBondContact OD1-CG2 3.3Å; D295-T332 PolarHBondContact OD1-N 3.19Å; D295-T332 PolarHBondContact OD1-OG1 3.33Å
296L95.5Very high94.2Very high5 Ų531.5 Ų31.53%0.02616%0.164CC..Hα-helixtrans-60.3-42.5178.5-71.1174.9000112L175 L259 L262 T281 L292 L293 R298 L300L175-L296 HydrophobicContact CD1-CB 4.12Å; L259-L296 HydrophobicContact CD2-CD2 4.09Å; L259-L296 HydrophobicContact CD2-CG 4.35Å; L262-L296 HydrophobicContact CB-CD2 4.35Å; L262-L296 HydrophobicContact CD1-CD1 4.2Å; L262-L296 HydrophobicContact CD1-CD2 3.63Å; T281-L296 HydrophobicContact CG2-CD1 4.44Å; L292-L296 VanDerWaalsContact O-CG 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 2.87Å; L293-L296 PolarHBondContact O-N 3.46Å; L296-R298 VanDerWaalsContact C-N 3.29Å; L296-R298 PolarHBondContact O-N 3.31Å; L296-L300 HydrophobicContact CD2-CD1 4.36Å; L296-L300 VanDerWaalsContact O-CB 3.32Å; L296-L300 WeakPolarHBondContact O-CB 3.46Å; L296-L300 WeakPolarHBondContact O-CG 3.43Å; L296-L300 PolarHBondContact O-N 3.43Å
297I94.7Very high94.4Very high5 Ų524.6 Ų24.63%0.02613%0.133CC..Hα-helixtrans-64.7-35.7176.9-63.3165.9000111.1L175 L293 V294 D295 L300 V302 V305 L319 L324 Y353L175-I297 HydrophobicContact CD1-CG1 4.04Å; L293-I297 VanDerWaalsContact O-CG1 3.31Å; L293-I297 WeakPolarHBondContact O-CG1 3.06Å; L293-I297 PolarHBondContact O-N 3.11Å; L293-I297 VanDerWaalsContact O-N 3.08Å; V294-I297 PolarHBondContact O-N 3.27Å; D295-I297 VanDerWaalsContact C-N 3.34Å; D295-I297 PolarHBondContact O-N 3.41Å; I297-L300 VanDerWaalsContact O-O 3.13Å; I297-V302 HydrophobicContact CG2-CB 4.46Å; I297-V305 HydrophobicContact CD1-CG2 4.06Å; I297-V305 HydrophobicContact CG1-CG2 4.23Å; I297-L319 HydrophobicContact CD1-CB 4.18Å; I297-L319 HydrophobicContact CD1-CD1 3.79Å; I297-L319 HydrophobicContact CD1-CG 4.46Å; I297-L324 HydrophobicContact CB-CD1 4.43Å; I297-L324 HydrophobicContact CB-CD2 4.26Å; I297-L324 HydrophobicContact CD1-CD1 4.47Å; I297-L324 HydrophobicContact CG2-CD1 4.44Å; I297-L324 HydrophobicContact CG2-CD2 3.49Å; I297-L324 VanDerWaalsContact CG2-CD2 3.49Å; I297-Y353 HydrophobicContact CG2-CD1 4.22Å; I297-Y353 HydrophobicContact CG2-CE1 3.91Å
298R92.1Very high94.4Very high56 Ų5622.1 Ų22.121%0.21111%0.107CC..Hα-helixtrans-74.3-44.3178.4-73.4170.1173.3165.80.3112.5V294 D295 L296 L324 A327 T332 K351V294-R298 VanDerWaalsContact CG1-CZ 3.46Å; V294-R298 VanDerWaalsContact CG1-NH1 3.34Å; V294-R298 WeakPolarHBondContact O-CG 3.41Å; V294-R298 PolarHBondContact O-N 2.78Å; V294-R298 VanDerWaalsContact O-N 3.12Å; D295-R298 PolarHBondContact O-N 3.08Å; D295-R298 VanDerWaalsContact O-N 3.12Å; L296-R298 VanDerWaalsContact C-N 3.29Å; L296-R298 PolarHBondContact O-N 3.31Å; R298-L324 HydrophobicContact CG-CD2 4.45Å; R298-L324 PolarHBondContact NH2-O 3.2Å; R298-A327 PolarHBondContact NH1-O 3.06Å; R298-A327 PolarHBondContact NH2-O 2.78Å; R298-T332 HydrophobicContact CB-CG2 4.5Å; R298-T332 WeakPolarHBondContact CD-OG1 3.46Å; R298-T332 PolarHBondContact NH1-O 2.52Å; R298-T332 PolarHBondContact NH1-OG1 3.43Å; R298-K351 PolarHBondContact O-NZ 3Å
299F92.4Very high94.2Very high67 Ų6716.9 Ų16.929%0.2949%0.086SC..Hα-helixtrans-71.7-40.2-176.7-64-31.4000113L259 K263 D295 Q331 T332L259-F299 HydrophobicContact CD1-CE2 4.43Å; L259-F299 HydrophobicContact CD2-CE2 4.46Å; K263-F299 HydrophobicContact CD-CD2 4.47Å; D295-F299 HydrophobicContact CB-CD2 3.99Å; D295-F299 HydrophobicContact CB-CE2 3.57Å; D295-F299 HydrophobicContact CB-CZ 4.18Å; D295-F299 WeakPolarHBondContact O-CB 3.28Å; D295-F299 WeakPolarHBondContact O-CD2 3.27Å; D295-F299 WeakPolarHBondContact O-CG 3.42Å; D295-F299 PolarHBondContact O-N 3.31Å; F299-Q331 HydrophobicContact CE2-CB 4.43Å; F299-Q331 HydrophobicContact CZ-CB 3.87Å; F299-T332 HydrophobicContact CD1-CG2 4.21Å; F299-T332 HydrophobicContact CE1-CG2 3.3Å; F299-T332 HydrophobicContact CZ-CG2 3.54Å
300L92.3Very high93.8Very high4 Ų420.3 Ų20.32%0.02110%0.101CC..THydrogen-bonded Turntrans-91.5152.8-177.1-53.8179.8000109.9L205 W266 I279 L296 I297 V302 K351L205-L300 HydrophobicContact CD2-CD1 4Å; W266-L300 HydrophobicContact CB-CD2 3.85Å; W266-L300 HydrophobicContact CD2-CD2 3.62Å; W266-L300 HydrophobicContact CE3-CD1 4.42Å; W266-L300 HydrophobicContact CE3-CD2 3.91Å; W266-L300 HydrophobicContact CG-CD2 3.54Å; I279-L300 HydrophobicContact CD1-CB 4.48Å; I279-L300 HydrophobicContact CD1-CD1 3.64Å; L296-L300 HydrophobicContact CD2-CD1 4.36Å; L296-L300 VanDerWaalsContact O-CB 3.32Å; L296-L300 WeakPolarHBondContact O-CB 3.46Å; L296-L300 WeakPolarHBondContact O-CG 3.43Å; L296-L300 PolarHBondContact O-N 3.43Å; I297-L300 VanDerWaalsContact O-O 3.13Å; L300-V302 HydrophobicContact CB-CG2 3.94Å; L300-V302 PolarHBondContact O-N 3.06Å; L300-K351 PolarHBondContact O-NZ 3.33Å
301P91.4Very high92.9Very high56 Ų5620.6 Ų20.636%0.36411%0.111SC..THydrogen-bonded Turntrans-78.657.1175.233.5-34.1000110.4V173 W266 T303V173-P301 VanDerWaalsContact CB-O 3.31Å; V173-P301 WeakPolarHBondContact CB-O 3.41Å; V173-P301 HydrophobicContact CG2-CG 4.39Å; V173-P301 WeakPolarHBondContact CG2-O 3.3Å; W266-P301 HydrophobicContact CH2-CG 4.05Å; W266-P301 HydrophobicContact CZ2-CG 3.3Å; P301-T303 PolarHBondContact O-N 3.03Å
302V93.8Very high91.1Very high5 Ų525.2 Ų25.23%0.0314%0.142CC..  trans-64.9128.1-179-178.10000110V173 L175 I279 I297 L300 H304 V305V173-V302 HydrophobicContact CG1-CG2 4.47Å; L175-V302 HydrophobicContact CB-CG1 3.88Å; L175-V302 HydrophobicContact CB-CG2 4.25Å; L175-V302 HydrophobicContact CD1-CG2 4.22Å; I279-V302 HydrophobicContact CD1-CG2 4.29Å; I297-V302 HydrophobicContact CG2-CB 4.46Å; L300-V302 HydrophobicContact CB-CG2 3.94Å; L300-V302 PolarHBondContact O-N 3.06Å; V302-H304 VanDerWaalsContact CG1-O 3.27Å; V302-H304 WeakPolarHBondContact CG1-O 3.44Å; V302-V305 HydrophobicContact CG1-CG2 3.64Å
303T93.8Very high89.2Confident35 Ų3528.4 Ų28.422%0.21517%0.166CC..  trans-104.6-29.6178.561.80000112.1I168 V173 P301 Y353 T354I168-T303 HydrophobicContact CD1-CG2 4.4Å; V173-T303 PolarHBondContact N-OG1 3.18Å; V173-T303 PolarHBondContact O-N 3.43Å; V173-T303 PolarHBondContact O-OG1 3.45Å; P301-T303 PolarHBondContact O-N 3.03Å; T303-Y353 CarbonylContact O-C 3.6Å; T303-Y353 VanDerWaalsContact O-CA 3.29Å; T303-Y353 WeakPolarHBondContact O-CA 3.48Å; T303-Y353 VanDerWaalsContact O-CB 3.31Å; T303-Y353 WeakPolarHBondContact O-CB 3.49Å; T303-T354 PolarHBondContact O-N 2.98Å
304H95.4Very high87.5Confident8 Ų832.8 Ų32.84%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-135.6132.9-177.8-66.176000109.5A163 V173 I174 L175 V302 T354A163-H304 WeakPolarHBondContact CB-CE1 3.33Å; V173-H304 PolarHBondContact O-N 3.12Å; I174-H304 CarbonylContact C-O 3.47Å; I174-H304 WeakPolarHBondContact CA-O 3.31Å; I174-H304 HydrophobicContact CB-CB 4.44Å; I174-H304 HydrophobicContact CG1-CB 4.02Å; I174-H304 HydrophobicContact CG2-CB 4.32Å; L175-H304 PolarHBondContact N-O 3.22Å; V302-H304 VanDerWaalsContact CG1-O 3.27Å; V302-H304 WeakPolarHBondContact CG1-O 3.44Å; H304-T354 CarbonylContact C-O 3.55Å; H304-T354 WeakPolarHBondContact CA-O 3.36Å
305V96.8Very high86.1Confident0 Ų038 Ų380%022%0.217CC..EExtended strand (participates in β ladder)trans-118.1115.3174.7171.50000107.8L175 Y177 I297 V302 Y353 T354 H355 L356L175-V305 CarbonylContact O-C 3.6Å; L175-V305 WeakPolarHBondContact O-CA 3.12Å; Y177-V305 HydrophobicContact CD1-CG1 3.78Å; Y177-V305 HydrophobicContact CE1-CG1 3.37Å; I297-V305 HydrophobicContact CD1-CG2 4.06Å; I297-V305 HydrophobicContact CG1-CG2 4.23Å; V302-V305 HydrophobicContact CG1-CG2 3.64Å; V305-Y353 HydrophobicContact CB-CD2 3.75Å; V305-Y353 HydrophobicContact CB-CE2 3.73Å; V305-Y353 HydrophobicContact CG1-CE2 4.42Å; V305-Y353 HydrophobicContact CG2-CD2 3.39Å; V305-Y353 HydrophobicContact CG2-CE2 3.46Å; V305-Y353 VanDerWaalsContact CG2-CE2 3.46Å; V305-Y353 HydrophobicContact CG2-CG 4.13Å; V305-T354 PolarHBondContact N-O 3.27Å; V305-H355 WeakPolarHBondContact O-CA 3.42Å; V305-L356 PolarHBondContact O-N 3.47Å
306V97Very high85Confident0 Ų038.6 Ų38.60%022%0.221CC..EExtended strand (participates in β ladder)trans-104.5112.3178.9-172.80000109.3V160 I174 L175 V176 Y177 F187 L308 L356 V358V160-V306 HydrophobicContact CG2-CG2 4.3Å; I174-V306 HydrophobicContact CG2-CG2 3.84Å; L175-V306 PolarHBondContact O-N 3.21Å; V176-V306 WeakPolarHBondContact CA-O 3.4Å; V176-V306 HydrophobicContact CG2-CB 4.32Å; Y177-V306 PolarHBondContact N-O 2.72Å; F187-V306 HydrophobicContact CD1-CG1 4.42Å; F187-V306 HydrophobicContact CE1-CB 4.27Å; F187-V306 HydrophobicContact CE1-CG1 3.81Å; F187-V306 HydrophobicContact CE1-CG2 4.22Å; F187-V306 HydrophobicContact CE2-CG1 4.35Å; F187-V306 HydrophobicContact CZ-CG1 3.78Å; F187-V306 HydrophobicContact CZ-CG2 4.3Å; V306-L308 HydrophobicContact CG1-CD1 4Å; V306-L356 WeakPolarHBondContact CA-O 3.44Å; V306-L356 HydrophobicContact CG2-CB 4.45Å; V306-L356 HydrophobicContact CG2-CD1 4.38Å; V306-V358 HydrophobicContact CG1-CG2 3.75Å
307Q95.3Very high84.3Confident4 Ų441.6 Ų41.62%0.01924%0.242CC..EExtended strand (participates in β ladder)trans-94.1119.2175-176.1179.6-2.900110.2Y177 C316 H355 L356 V358Y177-Q307 HydrophobicContact CD1-CB 4.33Å; Y177-Q307 HydrophobicContact CE1-CB 3.54Å; Y177-Q307 HydrophobicContact CE1-CG 3.97Å; Y177-Q307 HydrophobicContact CE2-CG 4.09Å; Y177-Q307 WeakPolarHBondContact O-CA 3.39Å; Y177-Q307 VanDerWaalsContact OH-CD 3.28Å; Y177-Q307 PolarHBondContact OH-OE1 2.9Å; Y177-Q307 VanDerWaalsContact OH-OE1 3.12Å; Q307-C316 PolarHBondContact NE2-O 2.72Å; Q307-H355 PolarHBondContact OE1-CE1 3.36Å; Q307-H355 VanDerWaalsContact OE1-CE1 3.27Å; Q307-H355 PolarHBondContact OE1-NE2 3.34Å; Q307-L356 PolarHBondContact N-O 3.41Å; Q307-V358 PolarHBondContact O-N 2.95Å
308L93.5Very high83.9Confident2 Ų243.5 Ų43.51%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-95.4136.3170.2-75.983000111.4V176 Y177 V182 G183 K184 F187 V306 V358 F362V176-L308 HydrophobicContact CG1-CD1 3.39Å; Y177-L308 PolarHBondContact O-N 3.46Å; V182-L308 HydrophobicContact CB-CB 4.19Å; V182-L308 HydrophobicContact CG2-CB 3.49Å; V182-L308 VanDerWaalsContact CG2-CB 3.49Å; V182-L308 HydrophobicContact CG2-CD2 4.36Å; G183-L308 VanDerWaalsContact C-CD2 3.47Å; G183-L308 WeakPolarHBondContact O-CD2 3.48Å; K184-L308 HydrophobicContact CG-CB 4.48Å; K184-L308 HydrophobicContact CG-CD1 4.45Å; K184-L308 HydrophobicContact CG-CD2 4.37Å; F187-L308 HydrophobicContact CB-CD1 4.4Å; F187-L308 HydrophobicContact CB-CD2 3.82Å; F187-L308 HydrophobicContact CD1-CD1 4.36Å; F187-L308 HydrophobicContact CG-CD1 4.32Å; F187-L308 HydrophobicContact CG-CD2 4.46Å; V306-L308 HydrophobicContact CG1-CD1 4Å; L308-V358 WeakPolarHBondContact CA-O 3.37Å; L308-V358 HydrophobicContact CG-CB 4.25Å; L308-V358 HydrophobicContact CG-CG1 4.43Å; L308-F362 HydrophobicContact CD2-CE2 4.34Å
309S90.3Very high83.7Confident11 Ų1140.9 Ų40.98%0.07725%0.246CC..EExtended strand (participates in β ladder)trans-134.6164.7172.265.80000111H357 V358 S360S309-H357 PolarHBondContact OG-CE1 2.85Å; S309-H357 PolarHBondContact OG-NE2 3.44Å; S309-V358 PolarHBondContact N-O 3.23Å; S309-S360 VanDerWaalsContact O-CB 3.25Å; S309-S360 WeakPolarHBondContact O-CB 3.19Å; S309-S360 PolarHBondContact O-N 2.82Å; S309-S360 PolarHBondContact O-OG 3.43Å; S309-S360 VanDerWaalsContact O-OG 3.13Å
310H83.3Confident83.6Confident75 Ų7539.9 Ų39.935%0.34725%0.246SC..  trans-140.3138.7173.1179.772.2000109.5V182 S360 V365V182-H310 HydrophobicContact CG1-CB 4.26Å; H310-S360 PolarHBondContact ND1-O 2.85Å; H310-V365 HydrophobicContact CB-CG1 3.8Å; H310-V365 VanDerWaalsContact CG-CG1 3.44Å; H310-V365 WeakPolarHBondContact ND1-CG1 3.33Å
311G75.8Confident83.4Confident32 Ų3241.5 Ų41.533%0.3326%0.256SS..SBendtrans76.9-171.2-174.700000113.9
312V57.7Low83.1Confident152 Ų15243.6 Ų43.692%0.92127%0.265SS*.SBendtrans-87-19.2-170.8-169.80000112.8
313S56.7Low82.9Confident75 Ų7546.8 Ų46.852%0.52428%0.278SS..SBendtrans-95.3118.3177.957.40000111.3Q315S313-Q315 VanDerWaalsContact C-N 3.3Å; S313-Q315 PolarHBondContact O-N 3.21Å
314T60.2Low82.6Confident96 Ų9646 Ų4659%0.58927%0.273SS*.  trans-66.892.3164.747.40000108.3C316T314-C316 PolarHBondContact O-N 3.18Å
315Q64.3Low82.2Confident111 Ų11152.2 Ų52.252%0.51930%0.296SS..  trans-68.13.9177.2-60.4-168.910.300113.6V179 K286 S313V179-Q315 HydrophobicContact CG1-CB 4.07Å; K286-Q315 VanDerWaalsContact CE-O 3.32Å; K286-Q315 WeakPolarHBondContact CE-O 3.31Å; S313-Q315 VanDerWaalsContact C-N 3.3Å; S313-Q315 PolarHBondContact O-N 3.21Å
316C71.9Confident81.8Confident12 Ų1257 Ų578%0.08133%0.325CS..SBendtrans-143135.4-1721790000110Y177 V285 Q307 T314Y177-C316 VanDerWaalsContact CE2-SG 3.56Å; V285-C316 HydrophobicContact CB-CB 4.08Å; V285-C316 VanDerWaalsContact CB-SG 3.51Å; V285-C316 HydrophobicContact CG1-CB 4.49Å; V285-C316 HydrophobicContact CG2-CB 3.83Å; Q307-C316 PolarHBondContact NE2-O 2.72Å; T314-C316 PolarHBondContact O-N 3.18Å
317S82Confident81.5Confident68 Ų6857.3 Ų57.348%0.47633%0.327SS..  trans-62.9140.8171-560000110.9Y177 L319Y177-S317 PolarHBondContact OH-O 3.22Å; S317-L319 PolarHBondContact O-N 3.43Å
318S86.3Confident81.4Confident45 Ų4561.7 Ų61.732%0.31535%0.348SS..  trans-74.1121.7174.3-175.20000109.6T320 H355S318-T320 PolarHBondContact O-N 3.26Å; S318-T320 VanDerWaalsContact OG-CG2 3.27Å; S318-T320 WeakPolarHBondContact OG-CG2 3.05Å; S318-H355 PolarHBondContact OG-CE1 3.27Å; S318-H355 PolarHBondContact OG-NE2 2.78Å
319L88.1Confident81.4Confident0 Ų061.7 Ų61.70%035%0.348CS..  trans-82.365.6173.8-70.7168000108.2Y177 F290 L293 V294 I297 S317 F323 Y353 H355Y177-L319 HydrophobicContact CD2-CD1 4.21Å; Y177-L319 HydrophobicContact CE1-CD1 4.24Å; Y177-L319 HydrophobicContact CE2-CD1 3.73Å; Y177-L319 HydrophobicContact CE2-CG 4.25Å; Y177-L319 PolarHBondContact OH-N 2.89Å; F290-L319 HydrophobicContact CE1-CD2 4.11Å; F290-L319 HydrophobicContact CE2-CD1 4.39Å; F290-L319 HydrophobicContact CE2-CD2 3.67Å; F290-L319 HydrophobicContact CE2-CG 3.97Å; F290-L319 HydrophobicContact CZ-CD2 3.37Å; F290-L319 HydrophobicContact CZ-CG 4.15Å; L293-L319 HydrophobicContact CB-CD1 3.91Å; L293-L319 HydrophobicContact CD1-CD1 4.36Å; V294-L319 HydrophobicContact CG2-CD2 3.83Å; I297-L319 HydrophobicContact CD1-CB 4.18Å; I297-L319 HydrophobicContact CD1-CD1 3.79Å; I297-L319 HydrophobicContact CD1-CG 4.46Å; S317-L319 PolarHBondContact O-N 3.43Å; L319-F323 HydrophobicContact CD2-CD1 4.07Å; L319-F323 HydrophobicContact CD2-CE1 4.05Å; L319-Y353 VanDerWaalsContact O-CE2 3.3Å; L319-Y353 WeakPolarHBondContact O-CE2 3.19Å; L319-Y353 PolarHBondContact O-OH 3.12Å; L319-H355 PolarHBondContact O-CD2 2.94Å; L319-H355 VanDerWaalsContact O-CD2 3.22Å
320T89.2Confident81.6Confident47 Ų4764.5 Ų64.529%0.28836%0.358SS..  trans-72.3156.1172.565.60000110.3S318 D322 F323 L324 Y353S318-T320 PolarHBondContact O-N 3.26Å; S318-T320 VanDerWaalsContact OG-CG2 3.27Å; S318-T320 WeakPolarHBondContact OG-CG2 3.05Å; T320-D322 PolarHBondContact O-N 3.01Å; T320-F323 PolarHBondContact O-N 3.15Å; T320-F323 VanDerWaalsContact O-N 3.1Å; T320-F323 WeakPolarHBondContact OG1-CB 3.3Å; T320-F323 PolarHBondContact OG1-N 3.1Å; T320-L324 PolarHBondContact O-N 3.06Å; T320-Y353 PolarHBondContact O-OH 2.85Å
321P87.9Confident82.1Confident37 Ų3763.8 Ų63.824%0.2435%0.354CS..Hα-helixtrans-54-36.5176.7-28.535.7000113.5R325 Y353P321-R325 WeakPolarHBondContact O-CG 3.48Å; P321-Y353 HydrophobicContact CB-CE1 4.16Å; P321-Y353 HydrophobicContact CG-CD1 4.2Å; P321-Y353 HydrophobicContact CG-CD2 4.22Å; P321-Y353 HydrophobicContact CG-CE1 3.97Å; P321-Y353 HydrophobicContact CG-CE2 4Å; P321-Y353 HydrophobicContact CG-CG 4.33Å; P321-Y353 VanDerWaalsContact CG-O 3.26Å; P321-Y353 WeakPolarHBondContact CG-O 3.46Å
322D86.9Confident82.8Confident101 Ų10163.4 Ų63.454%0.5435%0.346SS..Hα-helixtrans-68.2-45.2176.7-66.6-42.4000112.2T320 L324 R325T320-D322 PolarHBondContact O-N 3.01Å; D322-L324 VanDerWaalsContact C-N 3.29Å; D322-L324 PolarHBondContact O-N 3Å; D322-R325 PolarHBondContact O-N 2.83Å; D322-R325 IonicContact OD1-CZ 3.14Å; D322-R325 IonicContact OD1-NH1 2.74Å; D322-R325 PolarHBondContact OD1-NH1 3.16Å; D322-R325 IonicContact OD1-NH2 2.76Å; D322-R325 PolarHBondContact OD1-NH2 3.47Å
323F88Confident84.3Confident72 Ų7262 Ų6232%0.31633%0.329SS..Hα-helixtrans-62.7-38.8176.5178.5-87.5000111.3F290 L319 T320 R325 T326 A327F290-F323 AromaticContact CE1-CE1 3.63Å; F290-F323 HydrophobicContact CE1-CE1 3.63Å; F290-F323 AromaticContact CE1-CZ 3.9Å; F290-F323 HydrophobicContact CE1-CZ 3.9Å; F290-F323 HydrophobicContact CZ-CD1 4.35Å; F290-F323 AromaticContact CZ-CE1 3.35Å; F290-F323 HydrophobicContact CZ-CE1 3.35Å; F290-F323 AromaticContact CZ-CZ 3.76Å; F290-F323 HydrophobicContact CZ-CZ 3.76Å; L319-F323 HydrophobicContact CD2-CD1 4.07Å; L319-F323 HydrophobicContact CD2-CE1 4.05Å; T320-F323 PolarHBondContact O-N 3.15Å; T320-F323 VanDerWaalsContact O-N 3.1Å; T320-F323 WeakPolarHBondContact OG1-CB 3.3Å; T320-F323 PolarHBondContact OG1-N 3.1Å; F323-R325 PolarHBondContact O-N 3.01Å; F323-T326 PolarHBondContact O-N 3.23Å; F323-T326 VanDerWaalsContact O-N 3.15Å; F323-T326 PolarHBondContact O-OG1 3.19Å; F323-A327 HydrophobicContact CD1-CB 4.01Å; F323-A327 HydrophobicContact CE1-CB 3.57Å; F323-A327 HydrophobicContact CZ-CB 4.29Å; F323-A327 WeakPolarHBondContact O-CB 3.24Å; F323-A327 PolarHBondContact O-N 3.48Å
324L89.3Confident85.5Confident18 Ų1860 Ų609%0.09431%0.314CS..Hα-helixtrans-61.2-26.6-179.7-166.973.4000112.7V294 I297 R298 T320 D322 T326 Y353V294-L324 HydrophobicContact CB-CD1 4.25Å; V294-L324 HydrophobicContact CG1-CD1 3.86Å; V294-L324 HydrophobicContact CG2-CD1 4.2Å; I297-L324 HydrophobicContact CB-CD1 4.43Å; I297-L324 HydrophobicContact CB-CD2 4.26Å; I297-L324 HydrophobicContact CD1-CD1 4.47Å; I297-L324 HydrophobicContact CG2-CD1 4.44Å; I297-L324 HydrophobicContact CG2-CD2 3.49Å; I297-L324 VanDerWaalsContact CG2-CD2 3.49Å; R298-L324 HydrophobicContact CG-CD2 4.45Å; R298-L324 PolarHBondContact NH2-O 3.2Å; T320-L324 PolarHBondContact O-N 3.06Å; D322-L324 VanDerWaalsContact C-N 3.29Å; D322-L324 PolarHBondContact O-N 3Å; L324-T326 VanDerWaalsContact C-N 3.29Å; L324-T326 PolarHBondContact O-N 2.67Å; L324-Y353 HydrophobicContact CD2-CE1 3.62Å
325R85.3Confident85.8Confident139 Ų13961.7 Ų61.753%0.52533%0.325SS..Hα-helixtrans-65.3-33.3177.9-60.1-171.3-160.4118.513.2112.7P321 D322 F323P321-R325 WeakPolarHBondContact O-CG 3.48Å; D322-R325 PolarHBondContact O-N 2.83Å; D322-R325 IonicContact OD1-CZ 3.14Å; D322-R325 IonicContact OD1-NH1 2.74Å; D322-R325 PolarHBondContact OD1-NH1 3.16Å; D322-R325 IonicContact OD1-NH2 2.76Å; D322-R325 PolarHBondContact OD1-NH2 3.47Å; F323-R325 PolarHBondContact O-N 3.01Å
326T89.1Confident85.4Confident101 Ų10161.1 Ų61.162%0.6233%0.329SS*.Hα-helixtrans-104.8-8.4-177.259.40000113F323 L324 P334F323-T326 PolarHBondContact O-N 3.23Å; F323-T326 VanDerWaalsContact O-N 3.15Å; F323-T326 PolarHBondContact O-OG1 3.19Å; L324-T326 VanDerWaalsContact C-N 3.29Å; L324-T326 PolarHBondContact O-N 2.67Å; T326-P334 VanDerWaalsContact O-CG 3.23Å; T326-P334 WeakPolarHBondContact O-CG 3.43Å
327A90.5Very high84.4Confident5 Ų568.9 Ų68.94%0.04136%0.364CS..  trans-67138-18000000112.7V294 R298 F323 P334V294-A327 HydrophobicContact CG1-CB 4.11Å; V294-A327 HydrophobicContact CG2-CB 3.8Å; R298-A327 PolarHBondContact NH1-O 3.06Å; R298-A327 PolarHBondContact NH2-O 2.78Å; F323-A327 HydrophobicContact CD1-CB 4.01Å; F323-A327 HydrophobicContact CE1-CB 3.57Å; F323-A327 HydrophobicContact CZ-CB 4.29Å; F323-A327 WeakPolarHBondContact O-CB 3.24Å; F323-A327 PolarHBondContact O-N 3.48Å; A327-P334 WeakPolarHBondContact O-CG 3.25Å
328Q92.6Very high82.6Confident96 Ų9671.6 Ų71.645%0.44938%0.377SS..  trans-83.2123.1169.2-64.5-70-16.300108.9H333 P334Q328-H333 PolarHBondContact OE1-ND1 2.88Å; Q328-P334 VanDerWaalsContact OE1-CD 3.24Å
329G93.6Very high80.6Confident2 Ų272.6 Ų72.62%0.02139%0.388CS..  trans-87.5-178.5163.900000110.3Q291 D295 T332Q291-G329 WeakPolarHBondContact O-CA 3.39Å; D295-G329 WeakPolarHBondContact OD1-CA 3.15Å; G329-T332 CarbonylContact C-O 3.49Å; G329-T332 WeakPolarHBondContact CA-O 3.14Å; G329-T332 PolarHBondContact N-O 2.89Å
330Y95.3Very high78.5Confident70 Ų7078.8 Ų78.828%0.27542%0.421SS..SBendtrans-85.8-44.5179.5173-107.3000109.7L255 D256 L259 F288 L292 D295L255-Y330 HydrophobicContact CB-CD1 4.12Å; L255-Y330 HydrophobicContact CB-CE1 3.6Å; L255-Y330 HydrophobicContact CB-CE2 4.45Å; L255-Y330 HydrophobicContact CD1-CD2 3.96Å; L255-Y330 HydrophobicContact CD1-CE1 4.26Å; L255-Y330 HydrophobicContact CD1-CE2 3.61Å; L255-Y330 HydrophobicContact CD1-CG 4.42Å; D256-Y330 WeakPolarHBondContact OD1-CE1 3.5Å; L259-Y330 HydrophobicContact CD1-CD1 3.92Å; F288-Y330 AromaticContact CD1-CD2 3.84Å; F288-Y330 HydrophobicContact CD1-CD2 3.84Å; F288-Y330 HydrophobicContact CD1-CE2 4.13Å; F288-Y330 HydrophobicContact CE1-CD2 4.09Å; F288-Y330 HydrophobicContact CE1-CE2 4.1Å; L292-Y330 HydrophobicContact CD2-CD1 4.41Å; D295-Y330 PolarHBondContact OD1-N 2.64Å; D295-Y330 VanDerWaalsContact OD2-CA 3.32Å; D295-Y330 WeakPolarHBondContact OD2-CA 3.14Å; D295-Y330 VanDerWaalsContact OD2-CB 3.25Å; D295-Y330 WeakPolarHBondContact OD2-CB 3.19Å; D295-Y330 PolarHBondContact OD2-N 3.4Å
331Q94.1Very high76.2Confident60 Ų6084 Ų8428%0.2845%0.447SS..SBendtrans-102.3-16.1173.5-71.3-179.9-10.900113.2D256 L259 D295 F299D256-Q331 PolarHBondContact OD1-NE2 3.15Å; L259-Q331 VanDerWaalsContact CD1-CD 3.45Å; L259-Q331 HydrophobicContact CD1-CG 3.85Å; D295-Q331 PolarHBondContact OD1-N 3.02Å; D295-Q331 PolarHBondContact OD2-N 3.38Å; F299-Q331 HydrophobicContact CE2-CB 4.43Å; F299-Q331 HydrophobicContact CZ-CB 3.87Å
332T90.9Very high73.9Confident24 Ų2490.2 Ų90.215%0.14747%0.473CS..  trans-115.6138.9179.965.80000112.2D295 R298 F299 G329D295-T332 VanDerWaalsContact OD1-CB 3.28Å; D295-T332 WeakPolarHBondContact OD1-CB 3.39Å; D295-T332 WeakPolarHBondContact OD1-CG2 3.3Å; D295-T332 PolarHBondContact OD1-N 3.19Å; D295-T332 PolarHBondContact OD1-OG1 3.33Å; R298-T332 HydrophobicContact CB-CG2 4.5Å; R298-T332 WeakPolarHBondContact CD-OG1 3.46Å; R298-T332 PolarHBondContact NH1-O 2.52Å; R298-T332 PolarHBondContact NH1-OG1 3.43Å; F299-T332 HydrophobicContact CD1-CG2 4.21Å; F299-T332 HydrophobicContact CE1-CG2 3.3Å; F299-T332 HydrophobicContact CZ-CG2 3.54Å; G329-T332 CarbonylContact C-O 3.49Å; G329-T332 WeakPolarHBondContact CA-O 3.14Å; G329-T332 PolarHBondContact N-O 2.89Å
333H88.1Confident71.5Confident124 Ų12494 Ų9457%0.57449%0.485SS*.  trans-120.5153.1179.5-59.9-68.3000110.6Q328 T335Q328-H333 PolarHBondContact OE1-ND1 2.88Å; H333-T335 PolarHBondContact O-N 2.8Å
334P82.4Confident69.4Low31 Ų3196.5 Ų96.520%0.20151%0.507CS..PPolyproline II helixtrans-54.5136.8168.8-2132.4000110.2T326 A327 Q328 T336T326-P334 VanDerWaalsContact O-CG 3.23Å; T326-P334 WeakPolarHBondContact O-CG 3.43Å; A327-P334 WeakPolarHBondContact O-CG 3.25Å; Q328-P334 VanDerWaalsContact OE1-CD 3.24Å; P334-T336 PolarHBondContact O-N 2.92Å
335T66.4Low67Low133 Ų133105 Ų10582%0.81655%0.545SS*.PPolyproline II helixtrans-60.9118.317129.20000109.9H333H333-T335 PolarHBondContact O-N 2.8Å
336T55.2Low64.5Low98 Ų98103.6 Ų103.660%0.60156%0.557SS**PPolyproline II helixtrans-63135.4174.6-100000109.8P334 T338 A339P334-T336 PolarHBondContact O-N 2.92Å; T336-T338 PolarHBondContact O-N 2.95Å; T336-A339 PolarHBondContact O-N 2.79Å
337Q50.7Low62.1Low175 Ų175106.3 Ų106.382%0.81856%0.562SS**G310 helixtrans-57-18.6179-84.5172.9-9.500114.2A339 L340Q337-A339 VanDerWaalsContact C-N 3.32Å; Q337-A339 PolarHBondContact O-N 3.49Å; Q337-L340 HydrophobicContact CG-CD1 4.49Å
338T44.8Very low59.5Low125 Ų125111.8 Ų111.877%0.76760%0.599SS**G310 helixtrans-77.9-8.2177.440.90000114.9T336T336-T338 PolarHBondContact O-N 2.95Å
339A44.5Very low57.1Low66 Ų66112.1 Ų112.155%0.54561%0.61SS.*G310 helixtrans-98.19.4175.300000113.4T336 Q337 D341T336-A339 PolarHBondContact O-N 2.79Å; Q337-A339 VanDerWaalsContact C-N 3.32Å; Q337-A339 PolarHBondContact O-N 3.49Å; A339-D341 VanDerWaalsContact C-N 3.32Å
340L44.2Very low55Low131 Ų131116.7 Ų116.769%0.68664%0.639SS**SBendtrans-78.3-13.6176.4-95.5129000113.7Q337Q337-L340 HydrophobicContact CG-CD1 4.49Å
341D40.1Very low53.4Low156 Ų156118.7 Ų118.783%0.83465%0.649SS**SBendtrans-102-8.9-173.4-74.1-22.4000115.4A339A339-D341 VanDerWaalsContact C-N 3.32Å
342E40.3Very low52.7Low167 Ų167121.7 Ų121.778%0.7867%0.672SS**SBendtrans-123.1-4.1-172.1-80.9-172164.800118
343F36.7Very low52.7Low180 Ų180121.3 Ų121.379%0.78967%0.668SS**  trans-13774.5176.1-81.5-85.8000113.1E345F343-E345 PolarHBondContact O-N 3.14Å
344T43.6Very low52.9Low126 Ų126118.3 Ų118.377%0.77366%0.658SS**  trans-7784.4158.935.60000109.1
345E38Very low53.5Low195 Ų195118.9 Ų118.991%0.91166%0.658SS**SBendtrans172.658.2153.8-98.4175.2-161.100113F343F343-E345 PolarHBondContact O-N 3.14Å
346S34.3Very low54.8Low110 Ų110113.7 Ų113.777%0.76963%0.625SS**  trans-174.263150.265.40000110.4C348S346-C348 PolarHBondContact O-N 3.18Å; S346-C348 VanDerWaalsContact O-N 3.14Å
347H37.7Very low56.7Low158 Ų158112.7 Ų112.773%0.73161%0.614SS**  trans-80.991174-72.26.5000109.7P349H347-P349 WeakPolarHBondContact O-CD 3.3Å
348C36.9Very low58.7Low120 Ų120104.4 Ų104.481%0.81158%0.575SS**PPolyproline II helixtrans-65.3119.1151.3-88.30000106.5S346S346-C348 PolarHBondContact O-N 3.18Å; S346-C348 VanDerWaalsContact O-N 3.14Å
349P40.8Very low60.8Low104 Ų104102.1 Ų102.168%0.67556%0.556SS**PPolyproline II helixtrans-55.6147.6174.722.6-31.4000109.4H347 K351H347-P349 WeakPolarHBondContact O-CD 3.3Å; P349-K351 PolarHBondContact O-N 2.57Å; P349-K351 VanDerWaalsContact O-N 3.08Å
350P50Low62.7Low97 Ų9799 Ų9963%0.6353%0.53SS*.PPolyproline II helixtrans-55.7121.7178.522-31.1000108.7T352P350-T352 PolarHBondContact O-N 2.98Å
351K61.9Low64.6Low112 Ų11298.4 Ų98.449%0.48752%0.523SS..  trans-56.2106.5177.2-74.2178.3-179.9167.60108.5R298 L300 P349R298-K351 PolarHBondContact O-NZ 3Å; L300-K351 PolarHBondContact O-NZ 3.33Å; P349-K351 PolarHBondContact O-N 2.57Å; P349-K351 VanDerWaalsContact O-N 3.08Å
352T79.1Confident66.4Low124 Ų12491.4 Ų91.476%0.76149%0.486SS*.  trans-79.4126.7171.943.60000108.1P350P350-T352 PolarHBondContact O-N 2.98Å
353Y90.3Very high67.5Low15 Ų1587.2 Ų87.26%0.05947%0.466CS..  trans-127.4153.9174.462.3-90.1000109.9I297 T303 V305 L319 T320 P321 L324 H355I297-Y353 HydrophobicContact CG2-CD1 4.22Å; I297-Y353 HydrophobicContact CG2-CE1 3.91Å; T303-Y353 CarbonylContact O-C 3.6Å; T303-Y353 VanDerWaalsContact O-CA 3.29Å; T303-Y353 WeakPolarHBondContact O-CA 3.48Å; T303-Y353 VanDerWaalsContact O-CB 3.31Å; T303-Y353 WeakPolarHBondContact O-CB 3.49Å; V305-Y353 HydrophobicContact CB-CD2 3.75Å; V305-Y353 HydrophobicContact CB-CE2 3.73Å; V305-Y353 HydrophobicContact CG1-CE2 4.42Å; V305-Y353 HydrophobicContact CG2-CD2 3.39Å; V305-Y353 HydrophobicContact CG2-CE2 3.46Å; V305-Y353 VanDerWaalsContact CG2-CE2 3.46Å; V305-Y353 HydrophobicContact CG2-CG 4.13Å; L319-Y353 VanDerWaalsContact O-CE2 3.3Å; L319-Y353 WeakPolarHBondContact O-CE2 3.19Å; L319-Y353 PolarHBondContact O-OH 3.12Å; T320-Y353 PolarHBondContact O-OH 2.85Å; P321-Y353 HydrophobicContact CB-CE1 4.16Å; P321-Y353 HydrophobicContact CG-CD1 4.2Å; P321-Y353 HydrophobicContact CG-CD2 4.22Å; P321-Y353 HydrophobicContact CG-CE1 3.97Å; P321-Y353 HydrophobicContact CG-CE2 4Å; P321-Y353 HydrophobicContact CG-CG 4.33Å; P321-Y353 VanDerWaalsContact CG-O 3.26Å; P321-Y353 WeakPolarHBondContact CG-O 3.46Å; L324-Y353 HydrophobicContact CD2-CE1 3.62Å; Y353-H355 HydrophobicContact CE2-CB 4.27Å
354T93.2Very high68.7Low61 Ų6180.5 Ų80.537%0.37445%0.447SS..EExtended strand (participates in β ladder)trans-82.2122.5175-56.60000109.2T303 H304 V305 L356T303-T354 PolarHBondContact O-N 2.98Å; H304-T354 CarbonylContact C-O 3.55Å; H304-T354 WeakPolarHBondContact CA-O 3.36Å; V305-T354 PolarHBondContact N-O 3.27Å; T354-L356 HydrophobicContact CG2-CD2 3.88Å; T354-L356 HydrophobicContact CG2-CG 4.08Å
355H94.6Very high69.7Low43 Ų4375.1 Ų75.120%0.19942%0.415CS..EExtended strand (participates in β ladder)trans-95.9125.7172.2-175.7-88.8000110Y177 V305 Q307 S318 L319 Y353Y177-H355 PolarHBondContact OH-NE2 2.87Å; V305-H355 WeakPolarHBondContact O-CA 3.42Å; Q307-H355 PolarHBondContact OE1-CE1 3.36Å; Q307-H355 VanDerWaalsContact OE1-CE1 3.27Å; Q307-H355 PolarHBondContact OE1-NE2 3.34Å; S318-H355 PolarHBondContact OG-CE1 3.27Å; S318-H355 PolarHBondContact OG-NE2 2.78Å; L319-H355 PolarHBondContact O-CD2 2.94Å; L319-H355 VanDerWaalsContact O-CD2 3.22Å; Y353-H355 HydrophobicContact CE2-CB 4.27Å
356L94.9Very high70.7Confident25 Ų2568.8 Ų68.813%0.13140%0.395CS..EExtended strand (participates in β ladder)trans-121132.2-179.7-60.7174.2000109.4A156 T159 V160 V305 V306 Q307 T354A156-L356 HydrophobicContact CB-CB 4.34Å; A156-L356 HydrophobicContact CB-CD1 4.26Å; T159-L356 HydrophobicContact CG2-CD1 4.09Å; T159-L356 HydrophobicContact CG2-CD2 4.13Å; V160-L356 HydrophobicContact CG2-CD1 3.73Å; V305-L356 PolarHBondContact O-N 3.47Å; V306-L356 WeakPolarHBondContact CA-O 3.44Å; V306-L356 HydrophobicContact CG2-CB 4.45Å; V306-L356 HydrophobicContact CG2-CD1 4.38Å; Q307-L356 PolarHBondContact N-O 3.41Å; T354-L356 HydrophobicContact CG2-CD2 3.88Å; T354-L356 HydrophobicContact CG2-CG 4.08Å
357H93.6Very high72.1Confident77 Ų7771.4 Ų71.436%0.35639%0.389SS..EExtended strand (participates in β ladder)trans-108.2124.2176.6-179.9-94.4000110.9S309S309-H357 PolarHBondContact OG-CE1 2.85Å; S309-H357 PolarHBondContact OG-NE2 3.44Å
358V92.7Very high73.4Confident0 Ų067 Ų670%037%0.368CS..EExtended strand (participates in β ladder)trans-113.9116.7179.9176.90000109.5C153 A156 F187 V306 Q307 L308 S309C153-V358 HydrophobicContact CB-CG1 3.7Å; A156-V358 HydrophobicContact CB-CG2 3.41Å; A156-V358 VanDerWaalsContact CB-CG2 3.41Å; F187-V358 HydrophobicContact CE2-CG2 4.14Å; V306-V358 HydrophobicContact CG1-CG2 3.75Å; Q307-V358 PolarHBondContact O-N 2.95Å; L308-V358 WeakPolarHBondContact CA-O 3.37Å; L308-V358 HydrophobicContact CG-CB 4.25Å; L308-V358 HydrophobicContact CG-CG1 4.43Å; S309-V358 PolarHBondContact N-O 3.23Å
359Q89.8Confident74.6Confident78 Ų7862.7 Ų62.736%0.36435%0.345SS..EExtended strand (participates in β ladder)trans-86.7113.4169.9-173.8158.8-1600108.9S150 S152S150-Q359 WeakPolarHBondContact CB-O 3.43Å; S150-Q359 PolarHBondContact OG-O 2.7Å; S152-Q359 PolarHBondContact OG-N 2.91Å; S152-Q359 PolarHBondContact OG-O 3.14Å
360S84.8Confident75.5Confident1 Ų162.9 Ų62.91%0.00734%0.344CS..  trans-85.4119.7-170.6-53.70000110.3V182 S309 H310V182-S360 WeakPolarHBondContact O-CB 3.4Å; V182-S360 PolarHBondContact O-OG 2.7Å; S309-S360 VanDerWaalsContact O-CB 3.25Å; S309-S360 WeakPolarHBondContact O-CB 3.19Å; S309-S360 PolarHBondContact O-N 2.82Å; S309-S360 PolarHBondContact O-OG 3.43Å; S309-S360 VanDerWaalsContact O-OG 3.13Å; H310-S360 PolarHBondContact ND1-O 2.85Å
361E82.8Confident76.3Confident117 Ų11759.7 Ų59.755%0.54733%0.326SS..  trans-119.523.3176.8-60.6175.3169.300110.8S150S150-E361 WeakPolarHBondContact CB-OE2 3.48Å
362F77.9Confident76.7Confident9 Ų958 Ų584%0.03933%0.325CS..  trans-63.4148.1178-40.6-77.7000110.1L147 K148 T186 F187 I190 L308 G364 V365L147-F362 HydrophobicContact CD1-CB 4.06Å; L147-F362 HydrophobicContact CD1-CD1 3.65Å; L147-F362 HydrophobicContact CD1-CE1 4.48Å; L147-F362 HydrophobicContact CD1-CG 4.22Å; K148-F362 VanDerWaalsContact O-CD1 3.24Å; K148-F362 WeakPolarHBondContact O-CD1 3.24Å; T186-F362 HydrophobicContact CG2-CD1 3.8Å; T186-F362 HydrophobicContact CG2-CD2 4.26Å; T186-F362 HydrophobicContact CG2-CE1 3.94Å; T186-F362 HydrophobicContact CG2-CE2 4.39Å; T186-F362 HydrophobicContact CG2-CG 3.97Å; T186-F362 HydrophobicContact CG2-CZ 4.23Å; F187-F362 HydrophobicContact CB-CZ 4.24Å; I190-F362 HydrophobicContact CD1-CE1 3.82Å; L308-F362 HydrophobicContact CD2-CE2 4.34Å; F362-G364 PolarHBondContact O-N 3.34Å; F362-V365 HydrophobicContact CB-CG2 3.47Å; F362-V365 VanDerWaalsContact CB-CG2 3.47Å; F362-V365 HydrophobicContact CD2-CG2 3.77Å; F362-V365 HydrophobicContact CG-CG2 4.1Å; F362-V365 WeakPolarHBondContact O-CB 3.43Å; F362-V365 WeakPolarHBondContact O-CG2 3.33Å; F362-V365 PolarHBondContact O-N 3.29Å
363E63.8Low76.8Confident79 Ų7953.4 Ų53.437%0.36930%0.295SS..THydrogen-bonded Turntrans-59.5134.3175.6-165.5-169.6-170.800110.3C45 P46 V365C45-E363 PolarHBondContact SG-OE2 3.37Å; P46-E363 WeakPolarHBondContact CD-OE2 3.25Å; E363-V365 VanDerWaalsContact C-N 3.25Å; E363-V365 PolarHBondContact O-N 3.27Å
364G62.8Low76.5Confident39 Ų3954.6 Ų54.640%0.40230%0.301SS..THydrogen-bonded Turntrans753.4179.300000115.9F362 A366 R367F362-G364 PolarHBondContact O-N 3.34Å; G364-A366 PolarHBondContact O-N 3.27Å; G364-R367 WeakPolarHBondContact O-CB 3.35Å; G364-R367 PolarHBondContact O-N 3.12Å; G364-R367 VanDerWaalsContact O-N 3.08Å
365V63.9Low76.2Confident14 Ų1458 Ų589%0.08531%0.307CS..THydrogen-bonded Turntrans-56.7138.8174.6171.60000110.6N181 H310 F362 E363 R367N181-V365 WeakPolarHBondContact O-CG1 3.41Å; H310-V365 HydrophobicContact CB-CG1 3.8Å; H310-V365 VanDerWaalsContact CG-CG1 3.44Å; H310-V365 WeakPolarHBondContact ND1-CG1 3.33Å; F362-V365 HydrophobicContact CB-CG2 3.47Å; F362-V365 VanDerWaalsContact CB-CG2 3.47Å; F362-V365 HydrophobicContact CD2-CG2 3.77Å; F362-V365 HydrophobicContact CG-CG2 4.1Å; F362-V365 WeakPolarHBondContact O-CB 3.43Å; F362-V365 WeakPolarHBondContact O-CG2 3.33Å; F362-V365 PolarHBondContact O-N 3.29Å; E363-V365 VanDerWaalsContact C-N 3.25Å; E363-V365 PolarHBondContact O-N 3.27Å; V365-R367 PolarHBondContact O-N 2.83Å
366A59.5Low75.9Confident61 Ų6157.5 Ų57.550%0.50431%0.308SS..THydrogen-bonded Turntrans57.58.7-175.600000116.1N181 G364N181-A366 PolarHBondContact O-N 3.03Å; G364-A366 PolarHBondContact O-N 3.27Å
367R63.3Low75.7Confident166 Ų16660.2 Ų60.263%0.62632%0.323SS*.  trans-102.326.5178.1-60-174.7-178.2-177.7-0.3113.4G364 V365 G369 T370 Q374G364-R367 WeakPolarHBondContact O-CB 3.35Å; G364-R367 PolarHBondContact O-N 3.12Å; G364-R367 VanDerWaalsContact O-N 3.08Å; V365-R367 PolarHBondContact O-N 2.83Å; R367-G369 PolarHBondContact O-N 3.1Å; R367-T370 HydrophobicContact CB-CG2 4.11Å; R367-T370 WeakPolarHBondContact O-CB 3.5Å; R367-T370 WeakPolarHBondContact O-CG2 3.48Å; R367-T370 PolarHBondContact O-N 3.11Å; R367-T370 PolarHBondContact O-OG1 2.78Å; R367-Q374 PolarHBondContact O-OE1 3.47Å
368Q64Low75.7Confident64 Ų6458.7 Ų58.730%0.29932%0.316SS..THydrogen-bonded Turntrans-58.1128.7-177.4-161.8-179.123.500111.3N181 Q374 S376N181-Q368 WeakPolarHBondContact ND2-CB 3.39Å; N181-Q368 PolarHBondContact ND2-OE1 2.97Å; N181-Q368 PolarHBondContact OD1-OE1 2.81Å; Q368-Q374 WeakPolarHBondContact CG-O 3.22Å; Q368-Q374 PolarHBondContact NE2-O 3.17Å; Q368-S376 PolarHBondContact NE2-OG 2.71Å; Q368-S376 PolarHBondContact OE1-OG 3.08Å
369G61.9Low75.7Confident31 Ų3160.2 Ų60.232%0.3232%0.323SS..THydrogen-bonded Turntrans879.7178.200000114.9R367R367-G369 PolarHBondContact O-N 3.1Å
370T60.7Low75.9Confident107 Ų10759.8 Ų59.866%0.65632%0.318SS*.SBendtrans-84.4-17171.962.30000113.8R367R367-T370 HydrophobicContact CB-CG2 4.11Å; R367-T370 WeakPolarHBondContact O-CB 3.5Å; R367-T370 WeakPolarHBondContact O-CG2 3.48Å; R367-T370 PolarHBondContact O-N 3.11Å; R367-T370 PolarHBondContact O-OG1 2.78Å
371A66.8Low76.5Confident31 Ų3161.8 Ų61.826%0.25633%0.327SS..SBendtrans-131.1172.3174.100000111.6Q374A371-Q374 HydrophobicContact CB-CG 4.2Å
372T70.8Confident77.1Confident77 Ų7756.4 Ų56.447%0.47230%0.302SS..THydrogen-bonded Turntrans-62.5143.4179.348.30000111.4Q374T372-Q374 PolarHBondContact O-N 3.34Å
373H81.1Confident78Confident27 Ų2756.2 Ų56.213%0.12530%0.302CS..THydrogen-bonded Turntrans6024.1176-46.4-62.3000115.7S43 H111 L115 E378 H379S43-H373 WeakPolarHBondContact CB-O 3.5Å; H111-H373 PolarHBondContact O-CE1 3.08Å; H111-H373 PolarHBondContact O-NE2 3.31Å; L115-H373 HydrophobicContact CD1-CB 4.35Å; H373-E378 VanDerWaalsContact C-OE2 3.25Å; H373-E378 WeakPolarHBondContact CA-OE2 3.42Å; H373-E378 PolarHBondContact N-OE2 3.44Å; H373-H379 PolarHBondContact O-CD2 2.98Å; H373-H379 PolarHBondContact O-NE2 3.37Å
374Q82.6Confident79.6Confident40 Ų4052.8 Ų52.819%0.18729%0.286CS..  trans-99.5-14179.5-69.8-172.4-2100113.4R367 Q368 A371 T372 E378R367-Q374 PolarHBondContact O-OE1 3.47Å; Q368-Q374 WeakPolarHBondContact CG-O 3.22Å; Q368-Q374 PolarHBondContact NE2-O 3.17Å; A371-Q374 HydrophobicContact CB-CG 4.2Å; T372-Q374 PolarHBondContact O-N 3.34Å; Q374-E378 PolarHBondContact N-OE2 2.83Å
375R87.7Confident81.3Confident131 Ų13150.9 Ų50.949%0.49427%0.267SS..SBendtrans-74.1150.6-173.7-60.2177.6177.6174.72.5110.6N377 E378 H379R375-N377 WeakPolarHBondContact CB-OD1 3.39Å; R375-N377 PolarHBondContact O-N 2.61Å; R375-E378 HydrophobicContact CB-CG 4.11Å; R375-E378 VanDerWaalsContact CB-OE2 3.31Å; R375-E378 WeakPolarHBondContact CB-OE2 2.91Å; R375-E378 WeakPolarHBondContact CG-OE2 3.42Å; R375-E378 PolarHBondContact N-OE2 3.4Å; R375-E378 WeakPolarHBondContact O-CB 3.43Å; R375-E378 PolarHBondContact O-N 3.26Å; R375-H379 PolarHBondContact O-N 2.87Å
376S88.9Confident82.9Confident33 Ų3350.3 Ų50.323%0.23126%0.263CS..Hα-helixtrans-60.1-32.2-177.3-66.60000112.9Q211 Q368 R380Q211-S376 PolarHBondContact NE2-OG 2.74Å; Q368-S376 PolarHBondContact NE2-OG 2.71Å; Q368-S376 PolarHBondContact OE1-OG 3.08Å; S376-R380 WeakPolarHBondContact O-CG 3.31Å; S376-R380 PolarHBondContact O-N 3.09Å
377N90.8Very high84.7Confident82 Ų8248 Ų4844%0.43924%0.242SC..Hα-helixtrans-70.7-40174.762.5-51.1000112.2R375 R380 E381R375-N377 WeakPolarHBondContact CB-OD1 3.39Å; R375-N377 PolarHBondContact O-N 2.61Å; N377-R380 PolarHBondContact O-N 2.84Å; N377-E381 PolarHBondContact O-N 3.23Å
378E92.4Very high86.3Confident45 Ų4540.1 Ų40.121%0.2121%0.212CC..Hα-helixtrans-65.5-40176.6-62.2170.114500111H373 Q374 R375 R380 E381 L382H373-E378 VanDerWaalsContact C-OE2 3.25Å; H373-E378 WeakPolarHBondContact CA-OE2 3.42Å; H373-E378 PolarHBondContact N-OE2 3.44Å; Q374-E378 PolarHBondContact N-OE2 2.83Å; R375-E378 HydrophobicContact CB-CG 4.11Å; R375-E378 VanDerWaalsContact CB-OE2 3.31Å; R375-E378 WeakPolarHBondContact CB-OE2 2.91Å; R375-E378 WeakPolarHBondContact CG-OE2 3.42Å; R375-E378 PolarHBondContact N-OE2 3.4Å; R375-E378 WeakPolarHBondContact O-CB 3.43Å; R375-E378 PolarHBondContact O-N 3.26Å; E378-R380 PolarHBondContact O-N 3.11Å; E378-E381 WeakPolarHBondContact O-CB 3.44Å; E378-E381 PolarHBondContact O-N 2.83Å; E378-L382 WeakPolarHBondContact O-CG 3.34Å; E378-L382 PolarHBondContact O-N 3.28Å
379H93.2Very high87.8Confident32 Ų3237.3 Ų37.315%0.14820%0.2CC..Hα-helixtrans-62.6-41174.2-71.9-175000112.6H44 H373 R375 E381 L382 L383H44-H379 AromaticContact CE1-CE1 3.91Å; H44-H379 AromaticContact CE1-NE2 3.71Å; H44-H379 AromaticContact NE2-CE1 3.93Å; H373-H379 PolarHBondContact O-CD2 2.98Å; H373-H379 PolarHBondContact O-NE2 3.37Å; R375-H379 PolarHBondContact O-N 2.87Å; H379-E381 VanDerWaalsContact C-N 3.34Å; H379-L382 PolarHBondContact O-N 3.17Å; H379-L383 WeakPolarHBondContact O-CG 3.44Å; H379-L383 PolarHBondContact O-N 3.25Å
380R95.3Very high89.4Confident69 Ų6939.7 Ų39.726%0.2620%0.202SC..Hα-helixtrans-64.8-39.5175.3-76.2-170-59.4-102.75.3112.1G210 P217 S376 N377 E378 L383 L384G210-R380 WeakPolarHBondContact O-CD 3.36Å; G210-R380 VanDerWaalsContact O-CG 3.26Å; G210-R380 WeakPolarHBondContact O-CG 3.49Å; P217-R380 HydrophobicContact CB-CB 4.39Å; P217-R380 HydrophobicContact CB-CG 3.84Å; P217-R380 HydrophobicContact CG-CB 4.02Å; P217-R380 HydrophobicContact CG-CG 4.03Å; S376-R380 WeakPolarHBondContact O-CG 3.31Å; S376-R380 PolarHBondContact O-N 3.09Å; N377-R380 PolarHBondContact O-N 2.84Å; E378-R380 PolarHBondContact O-N 3.11Å; R380-L383 WeakPolarHBondContact O-CB 3.26Å; R380-L383 PolarHBondContact O-N 3.08Å; R380-L384 WeakPolarHBondContact O-CG 3.39Å; R380-L384 PolarHBondContact O-N 3.41Å; R380-L384 VanDerWaalsContact O-N 3.11Å
381E95.5Very high91.1Very high44 Ų4436.2 Ų36.221%0.20618%0.179CC..Hα-helixtrans-62.4-47.6173.2170.3163.2-159.500111.4H111 N377 E378 H379 L383 L384 L385 P505 C507H111-E381 IonicContact NE2-OE1 3.23Å; N377-E381 PolarHBondContact O-N 3.23Å; E378-E381 WeakPolarHBondContact O-CB 3.44Å; E378-E381 PolarHBondContact O-N 2.83Å; H379-E381 VanDerWaalsContact C-N 3.34Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 3.46Å; E381-L384 WeakPolarHBondContact O-CB 3.47Å; E381-L384 PolarHBondContact O-N 2.65Å; E381-L384 VanDerWaalsContact O-N 3.1Å; E381-L385 HydrophobicContact CG-CD1 3.84Å; E381-L385 HydrophobicContact CG-CG 4.28Å; E381-L385 WeakPolarHBondContact O-CG 3.37Å; E381-L385 PolarHBondContact O-N 3.16Å; E381-P505 HydrophobicContact CG-CB 3.94Å; E381-P505 HydrophobicContact CG-CG 4.21Å; E381-C507 PolarHBondContact OE1-SG 3.42Å
382L96.9Very high92.5Very high3 Ų335.4 Ų35.42%0.01617%0.17CC..Hα-helixtrans-58.3-40.6175.8-74.2171.7000112.4L106 L112 L115 F234 E378 H379 L385 G386L106-L382 HydrophobicContact CD2-CD2 4.38Å; L112-L382 HydrophobicContact CD1-CD2 4Å; L112-L382 HydrophobicContact CD2-CD2 3.98Å; L115-L382 HydrophobicContact CD2-CD2 3.87Å; F234-L382 HydrophobicContact CB-CB 4.13Å; F234-L382 VanDerWaalsContact CB-O 3.22Å; F234-L382 WeakPolarHBondContact CB-O 3.3Å; F234-L382 HydrophobicContact CD1-CB 3.79Å; F234-L382 HydrophobicContact CD1-CD1 4.08Å; F234-L382 HydrophobicContact CD1-CG 4.42Å; F234-L382 HydrophobicContact CE1-CB 4.41Å; F234-L382 HydrophobicContact CE1-CD1 3.9Å; F234-L382 HydrophobicContact CG-CB 4.04Å; E378-L382 WeakPolarHBondContact O-CG 3.34Å; E378-L382 PolarHBondContact O-N 3.28Å; H379-L382 PolarHBondContact O-N 3.17Å; L382-L385 PolarHBondContact O-N 3.43Å; L382-G386 PolarHBondContact O-N 3.38Å
383L96.8Very high93.4Very high6 Ų633.5 Ų33.53%0.03116%0.16CC..Hα-helixtrans-58.8-46.9173.8-79.7167.8000111.9P233 H379 R380 E381 G386 Y387P233-L383 HydrophobicContact CB-CD2 3.51Å; P233-L383 HydrophobicContact CB-CG 4.39Å; H379-L383 WeakPolarHBondContact O-CG 3.44Å; H379-L383 PolarHBondContact O-N 3.25Å; R380-L383 WeakPolarHBondContact O-CB 3.26Å; R380-L383 PolarHBondContact O-N 3.08Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 3.46Å; L383-G386 PolarHBondContact O-N 2.97Å; L383-Y387 PolarHBondContact O-N 3.15Å
384L97.2Very high93.8Very high6 Ų639.1 Ų39.13%0.03119%0.191CC..Hα-helixtrans-65.2-43.5178.4-71.8170000112P216 P217 R380 E381 G386 Y387 L388 L437 I502 S503 P505P216-L384 HydrophobicContact CB-CD2 3.93Å; P217-L384 HydrophobicContact CG-CD1 4.43Å; P217-L384 HydrophobicContact CG-CD2 4.49Å; P217-L384 HydrophobicContact CG-CG 4.24Å; R380-L384 WeakPolarHBondContact O-CG 3.39Å; R380-L384 PolarHBondContact O-N 3.41Å; R380-L384 VanDerWaalsContact O-N 3.11Å; E381-L384 WeakPolarHBondContact O-CB 3.47Å; E381-L384 PolarHBondContact O-N 2.65Å; E381-L384 VanDerWaalsContact O-N 3.1Å; L384-G386 VanDerWaalsContact C-N 3.33Å; L384-Y387 PolarHBondContact O-N 2.98Å; L384-L388 WeakPolarHBondContact O-CB 3.21Å; L384-L388 VanDerWaalsContact O-CG 3.3Å; L384-L388 WeakPolarHBondContact O-CG 3.25Å; L384-L388 PolarHBondContact O-N 2.84Å; L384-L437 HydrophobicContact CD2-CD2 3.46Å; L384-L437 VanDerWaalsContact CD2-CD2 3.46Å; L384-I502 HydrophobicContact CD1-CG2 3.88Å; L384-I502 HydrophobicContact CD2-CG2 4.25Å; L384-S503 WeakPolarHBondContact CD1-O 3.46Å; L384-P505 HydrophobicContact CB-CG 3.76Å; L384-P505 HydrophobicContact CD1-CG 4.03Å
385L97.4Very high93.9Very high0 Ų042.8 Ų42.80%021%0.212CC..Hα-helixtrans-65.4-38.3175.6-66.9175.1000111.4F105 L106 F109 L112 E381 L382 Y387 L388 S389 P505 I508F105-L385 HydrophobicContact CE1-CB 4.34Å; F105-L385 HydrophobicContact CE1-CD2 4.05Å; F105-L385 WeakPolarHBondContact CE1-O 3.37Å; L106-L385 HydrophobicContact CD2-CB 3.58Å; L106-L385 HydrophobicContact CD2-CD1 4.19Å; F109-L385 HydrophobicContact CE2-CD2 4.04Å; F109-L385 HydrophobicContact CZ-CD2 4.1Å; L112-L385 HydrophobicContact CD1-CD1 3.55Å; E381-L385 HydrophobicContact CG-CD1 3.84Å; E381-L385 HydrophobicContact CG-CG 4.28Å; E381-L385 WeakPolarHBondContact O-CG 3.37Å; E381-L385 PolarHBondContact O-N 3.16Å; L382-L385 PolarHBondContact O-N 3.43Å; L385-Y387 VanDerWaalsContact C-N 3.35Å; L385-L388 PolarHBondContact O-N 3.24Å; L385-S389 WeakPolarHBondContact O-CB 3.43Å; L385-S389 PolarHBondContact O-N 3.07Å; L385-P505 HydrophobicContact CD2-CB 4.19Å; L385-P505 HydrophobicContact CD2-CG 4.18Å; L385-P505 HydrophobicContact CG-CB 4.47Å; L385-P505 HydrophobicContact CG-CG 4.27Å; L385-I508 HydrophobicContact CD2-CD1 3.66Å; L385-I508 HydrophobicContact CD2-CG1 4.1Å
386G97.2Very high93.5Very high2 Ų241.6 Ų41.62%0.02122%0.224CC..Hα-helixtrans-59.7-44.9173.600000111.8L382 L383 L384 S389L382-G386 PolarHBondContact O-N 3.38Å; L383-G386 PolarHBondContact O-N 2.97Å; L384-G386 VanDerWaalsContact C-N 3.33Å; G386-S389 PolarHBondContact O-N 2.9Å; G386-S389 PolarHBondContact O-OG 2.79Å
387Y97.7Very high93.2Very high12 Ų1241.4 Ų41.45%0.04723%0.227CC..Hα-helixtrans-64-48.5173.8-179.4-96.4000112.6P216 L383 L384 L385 S389 Q390 F467 P485 V486P216-Y387 HydrophobicContact CG-CD1 4.26Å; P216-Y387 HydrophobicContact CG-CD2 3.84Å; P216-Y387 HydrophobicContact CG-CG 3.69Å; L383-Y387 PolarHBondContact O-N 3.15Å; L384-Y387 PolarHBondContact O-N 2.98Å; L385-Y387 VanDerWaalsContact C-N 3.35Å; Y387-S389 PolarHBondContact O-N 2.76Å; Y387-Q390 VanDerWaalsContact O-CB 3.3Å; Y387-Q390 WeakPolarHBondContact O-CB 3.41Å; Y387-Q390 WeakPolarHBondContact O-CG 3.42Å; Y387-Q390 PolarHBondContact O-N 2.82Å; Y387-F467 HydrophobicContact CD1-CB 4.25Å; Y387-F467 HydrophobicContact CE1-CB 3.57Å; Y387-F467 HydrophobicContact CE1-CD2 4.46Å; Y387-F467 HydrophobicContact CE1-CG 4.47Å; Y387-F467 PolarHBondContact OH-N 3.34Å; Y387-F467 PolarHBondContact OH-O 3.03Å; Y387-P485 HydrophobicContact CD1-CG 4.28Å; Y387-P485 HydrophobicContact CE1-CG 3.56Å; Y387-P485 HydrophobicContact CE2-CG 4.1Å; Y387-P485 VanDerWaalsContact CZ-CG 3.46Å; Y387-P485 WeakPolarHBondContact OH-CG 3.34Å; Y387-V486 WeakPolarHBondContact OH-CG2 3.48Å
388L96.9Very high93Very high1 Ų142.9 Ų42.91%0.00524%0.241CC..Hα-helixtrans-67.3-22.8-179.4-69.3174.1000113.1F105 L384 L385 Q390 L391 L402 V469 L504 I508F105-L388 HydrophobicContact CE1-CB 4.32Å; F105-L388 HydrophobicContact CZ-CB 4.43Å; L384-L388 WeakPolarHBondContact O-CB 3.21Å; L384-L388 VanDerWaalsContact O-CG 3.3Å; L384-L388 WeakPolarHBondContact O-CG 3.25Å; L384-L388 PolarHBondContact O-N 2.84Å; L385-L388 PolarHBondContact O-N 3.24Å; L388-Q390 PolarHBondContact O-N 3.49Å; L388-L391 HydrophobicContact CD2-CD1 4.13Å; L388-L391 VanDerWaalsContact O-CB 3.3Å; L388-L391 WeakPolarHBondContact O-CB 3.4Å; L388-L391 PolarHBondContact O-N 3.17Å; L388-L402 HydrophobicContact CB-CD1 4.45Å; L388-L402 HydrophobicContact CD1-CD1 4.22Å; L388-L402 HydrophobicContact CD2-CD1 4.48Å; L388-V469 HydrophobicContact CD2-CG2 3.86Å; L388-L504 HydrophobicContact CD1-CD1 3.87Å; L388-I508 HydrophobicContact CD1-CD1 4.2Å; L388-I508 HydrophobicContact CD1-CG1 4.24Å
389S96.4Very high93Very high5 Ų542.6 Ų42.64%0.03524%0.242CC..G310 helixtrans-62-20.8174.679.30000113.2L102 L385 G386 Y387 L391 Q392L102-S389 WeakPolarHBondContact CA-OG 3.15Å; L102-S389 WeakPolarHBondContact CD1-OG 3.36Å; L385-S389 WeakPolarHBondContact O-CB 3.43Å; L385-S389 PolarHBondContact O-N 3.07Å; G386-S389 PolarHBondContact O-N 2.9Å; G386-S389 PolarHBondContact O-OG 2.79Å; Y387-S389 PolarHBondContact O-N 2.76Å; S389-L391 PolarHBondContact O-N 3.47Å; S389-Q392 VanDerWaalsContact O-CB 3.23Å; S389-Q392 WeakPolarHBondContact O-CB 3.3Å; S389-Q392 WeakPolarHBondContact O-CG 3.48Å; S389-Q392 PolarHBondContact O-N 2.88Å
390Q95.9Very high93Very high80 Ų8047.8 Ų47.837%0.37426%0.26SS..G310 helixtrans-67.3-11174.5-59.7176.28.300113Q237 Y387 L388 Q392 P485Q237-Q390 PolarHBondContact O-NE2 3.17Å; Y387-Q390 VanDerWaalsContact O-CB 3.3Å; Y387-Q390 WeakPolarHBondContact O-CB 3.41Å; Y387-Q390 WeakPolarHBondContact O-CG 3.42Å; Y387-Q390 PolarHBondContact O-N 2.82Å; L388-Q390 PolarHBondContact O-N 3.49Å; Q390-Q392 VanDerWaalsContact C-N 3.26Å; Q390-P485 HydrophobicContact CB-CB 3.53Å; Q390-P485 HydrophobicContact CB-CG 4.1Å
391L95.5Very high92.9Very high34 Ų3445.6 Ų45.618%0.17826%0.255CS..G310 helixtrans-77.1-13.1169.9-71.9167.6000113.1L388 S389 L402 L405 T484 P485L388-L391 HydrophobicContact CD2-CD1 4.13Å; L388-L391 VanDerWaalsContact O-CB 3.3Å; L388-L391 WeakPolarHBondContact O-CB 3.4Å; L388-L391 PolarHBondContact O-N 3.17Å; S389-L391 PolarHBondContact O-N 3.47Å; L391-L402 HydrophobicContact CB-CD2 4.17Å; L391-L402 HydrophobicContact CD1-CD1 4.36Å; L391-L402 HydrophobicContact CD1-CD2 3.82Å; L391-L405 HydrophobicContact CB-CD1 3.8Å; L391-L405 HydrophobicContact CD1-CD1 4.4Å; L391-L405 HydrophobicContact CG-CD1 4.48Å; L391-T484 WeakPolarHBondContact CD2-O 3.5Å; L391-P485 HydrophobicContact CD2-CB 4.26Å; L391-P485 HydrophobicContact CG-CB 4.25Å
392Q95.4Very high92.8Very high14 Ų1443.8 Ų43.87%0.06525%0.247CC..SBendtrans-81.7153.6179.1-56.9-60-48.200110.6P101 F105 S389 Q390 R400P101-Q392 HydrophobicContact CB-CB 3.92Å; F105-Q392 HydrophobicContact CB-CG 4.15Å; F105-Q392 HydrophobicContact CD2-CG 3.73Å; F105-Q392 HydrophobicContact CE2-CG 4.47Å; F105-Q392 HydrophobicContact CG-CG 4.17Å; S389-Q392 VanDerWaalsContact O-CB 3.23Å; S389-Q392 WeakPolarHBondContact O-CB 3.3Å; S389-Q392 WeakPolarHBondContact O-CG 3.48Å; S389-Q392 PolarHBondContact O-N 2.88Å; Q390-Q392 VanDerWaalsContact C-N 3.26Å; Q392-R400 PolarHBondContact NE2-O 2.75Å; Q392-R400 PolarHBondContact OE1-O 3.48Å
393S91Very high92.5Very high37 Ų3745.4 Ų45.426%0.25925%0.254SS..  trans-75145.1175.958.80000111.7P101 R104 D395P101-S393 WeakPolarHBondContact CG-O 3.25Å; R104-S393 PolarHBondContact NH2-O 3.02Å; S393-D395 PolarHBondContact O-N 3.23Å
394D88.1Confident92.3Very high145 Ų14548.9 Ų48.978%0.77528%0.276SS*.SBendtrans-61.1-28.1171.5-69.3-32.1000112.6R104R104-D394 PolarHBondContact NH2-O 3.06Å
395D86.7Confident92.2Very high118 Ų11849.9 Ų49.963%0.63128%0.281SS*.SBendtrans-54.4141.6174.7-60.6-27.4000111.7R104 S393 G397R104-D395 VanDerWaalsContact CZ-O 3.26Å; R104-D395 PolarHBondContact NH1-O 3.36Å; R104-D395 PolarHBondContact NH2-O 2.95Å; S393-D395 PolarHBondContact O-N 3.23Å; D395-G397 PolarHBondContact O-N 3.49Å
396S78.3Confident92.1Very high106 Ų10656.1 Ų56.174%0.74132%0.32SS*.SBendtrans-68.114.9178.258.60000114.5
397G81.8Confident92.1Very high28 Ų2857.4 Ų57.429%0.28933%0.327SS..SBendtrans-66.3174.6176.300000113.7R104 D395R104-G397 PolarHBondContact NH1-O 3.34Å; D395-G397 PolarHBondContact O-N 3.49Å
398P86.9Confident92.1Very high113 Ų11361.6 Ų61.673%0.73434%0.344SS*.PPolyproline II helixtrans-62.3147.1177.527.9-34.9000111.1R400P398-R400 PolarHBondContact O-N 2.76Å
399V92.9Very high92.1Very high40 Ų4066.9 Ų66.924%0.24237%0.369CS..PPolyproline II helixtrans-59.8130.2171.8178.10000109R104 F105R104-V399 VanDerWaalsContact C-CG2 3.5Å; R104-V399 HydrophobicContact CB-CG2 3.67Å; R104-V399 WeakPolarHBondContact O-CG2 3.32Å; F105-V399 HydrophobicContact CD2-CG1 3.73Å; F105-V399 HydrophobicContact CE2-CG1 4.5Å
400R93.4Very high92Very high140 Ų14068.1 Ų68.153%0.52838%0.376SS..PPolyproline II helixtrans-93.4123178.4-64.6-175.1-175.5-1783.2109.5Q392 P398 L402 L405Q392-R400 PolarHBondContact NE2-O 2.75Å; Q392-R400 PolarHBondContact OE1-O 3.48Å; P398-R400 PolarHBondContact O-N 2.76Å; R400-L402 PolarHBondContact O-N 2.75Å; R400-L405 HydrophobicContact CB-CD2 4.01Å
401P93.4Very high91.9Very high23 Ų2367 Ų6715%0.14938%0.376CS..PPolyproline II helixtrans-55.9140171-24.334.3000110.8H403 T404 Q512 P513P401-H403 WeakPolarHBondContact CB-CE1 3.45Å; P401-H403 WeakPolarHBondContact CB-ND1 3.37Å; P401-H403 PolarHBondContact O-N 2.85Å; P401-H403 VanDerWaalsContact O-N 3.16Å; P401-T404 HydrophobicContact CB-CG2 4.1Å; P401-T404 HydrophobicContact CG-CG2 4.24Å; P401-T404 WeakPolarHBondContact O-CB 3.34Å; P401-T404 PolarHBondContact O-N 3.17Å; P401-T404 PolarHBondContact O-OG1 3.48Å; P401-Q512 HydrophobicContact CB-CB 4.19Å; P401-Q512 HydrophobicContact CB-CG 4.46Å; P401-P513 HydrophobicContact CG-CG 3.92Å; P401-P513 WeakPolarHBondContact CG-O 3.49Å
402L93.9Very high91.8Very high6 Ų666.2 Ų66.23%0.03137%0.372CS..G310 helixtrans-61.4-30.9-173.6-65.3-168.3000112.4F105 L388 L391 R400 T404 L405 L483 I508F105-L402 HydrophobicContact CE2-CD2 4.21Å; F105-L402 HydrophobicContact CE2-CG 4.5Å; F105-L402 HydrophobicContact CZ-CD2 4.44Å; L388-L402 HydrophobicContact CB-CD1 4.45Å; L388-L402 HydrophobicContact CD1-CD1 4.22Å; L388-L402 HydrophobicContact CD2-CD1 4.48Å; L391-L402 HydrophobicContact CB-CD2 4.17Å; L391-L402 HydrophobicContact CD1-CD1 4.36Å; L391-L402 HydrophobicContact CD1-CD2 3.82Å; R400-L402 PolarHBondContact O-N 2.75Å; L402-T404 PolarHBondContact O-N 3.31Å; L402-L405 HydrophobicContact CD2-CD1 3.75Å; L402-L405 WeakPolarHBondContact O-CB 3.09Å; L402-L405 PolarHBondContact O-N 3.37Å; L402-L483 HydrophobicContact CB-CD1 4.49Å; L402-L483 WeakPolarHBondContact O-CD1 3.44Å; L402-I508 HydrophobicContact CD1-CD1 3.98Å; L402-I508 HydrophobicContact CD1-CG2 4.03Å
403H90.1Very high91.7Very high38 Ų3868.3 Ų68.318%0.17639%0.385CS..G310 helixtrans-69.2-15.3176.267.6-93.6000113.9P401 R471 Q512 P513 F515P401-H403 WeakPolarHBondContact CB-CE1 3.45Å; P401-H403 WeakPolarHBondContact CB-ND1 3.37Å; P401-H403 PolarHBondContact O-N 2.85Å; P401-H403 VanDerWaalsContact O-N 3.16Å; H403-R471 PolarHBondContact O-NH1 2.91Å; H403-R471 PolarHBondContact O-NH2 3.25Å; H403-Q512 PolarHBondContact ND1-OE1 2.81Å; H403-P513 PolarHBondContact CE1-O 3.29Å; H403-F515 HydrophobicContact CB-CZ 3.87Å; H403-F515 AromaticContact CD2-CZ 3.87Å; H403-F515 AromaticContact CE1-CD2 3.78Å; H403-F515 AromaticContact CE1-CE2 3.24Å; H403-F515 WeakPolarHBondContact CE1-CE2 3.44Å; H403-F515 AromaticContact CE1-CZ 3.67Å; H403-F515 AromaticContact CG-CE2 3.81Å; H403-F515 AromaticContact CG-CZ 3.42Å; H403-F515 VanDerWaalsContact CG-CZ 3.42Å; H403-F515 AromaticContact ND1-CE2 3.2Å; H403-F515 WeakPolarHBondContact ND1-CE2 3.49Å; H403-F515 AromaticContact ND1-CZ 3.32Å; H403-F515 VanDerWaalsContact ND1-CZ 3.32Å; H403-F515 WeakPolarHBondContact ND1-CZ 3.47Å; H403-F515 AromaticContact NE2-CE2 3.92Å
404T92.4Very high91.8Very high78 Ų7869 Ų6948%0.47939%0.394SS..G310 helixtrans-85.1-15.4174.567.60000112.6P401 L402P401-T404 HydrophobicContact CB-CG2 4.1Å; P401-T404 HydrophobicContact CG-CG2 4.24Å; P401-T404 WeakPolarHBondContact O-CB 3.34Å; P401-T404 PolarHBondContact O-N 3.17Å; P401-T404 PolarHBondContact O-OG1 3.48Å; L402-T404 PolarHBondContact O-N 3.31Å
405L94.8Very high92.1Very high28 Ų2862.5 Ų62.515%0.14736%0.359CS..SBendtrans-74.1142.9-179.7-56.4179.9000111L391 R400 L402 P407 R471 L483L391-L405 HydrophobicContact CB-CD1 3.8Å; L391-L405 HydrophobicContact CD1-CD1 4.4Å; L391-L405 HydrophobicContact CG-CD1 4.48Å; R400-L405 HydrophobicContact CB-CD2 4.01Å; L402-L405 HydrophobicContact CD2-CD1 3.75Å; L402-L405 WeakPolarHBondContact O-CB 3.09Å; L402-L405 PolarHBondContact O-N 3.37Å; L405-P407 WeakPolarHBondContact O-CD 3.23Å; L405-R471 PolarHBondContact O-NH1 2.92Å; L405-L483 HydrophobicContact CB-CD2 3.84Å
406T95.6Very high92.5Very high131 Ų13157 Ų5780%0.80433%0.329SS*.PPolyproline II helixtrans-74119.1176.7-52.10000110.2
407P96.7Very high93.3Very high28 Ų2851.9 Ų51.918%0.18229%0.294CS..PPolyproline II helixtrans-80.3154.2178.433.3-34.8000112.3L405 F481 L482 L483L405-P407 WeakPolarHBondContact O-CD 3.23Å; P407-F481 HydrophobicContact CB-CB 3.95Å; P407-F481 HydrophobicContact CB-CD1 4.49Å; P407-F481 HydrophobicContact CG-CB 3.98Å; P407-F481 HydrophobicContact CG-CD1 3.84Å; P407-F481 HydrophobicContact CG-CG 4.31Å; P407-L482 WeakPolarHBondContact CA-O 3.42Å; P407-L483 HydrophobicContact CB-CD2 3.96Å; P407-L483 HydrophobicContact CB-CG 4.24Å
408Y97.3Very high93.9Very high100 Ų10050.7 Ų50.739%0.39228%0.281SS..EExtended strand (participates in β ladder)trans-68.6137.5164.2-66.2-82.6000110F481 L482 T484 L491Y408-F481 WeakPolarHBondContact O-CA 3.27Å; Y408-L482 PolarHBondContact N-O 2.85Å; Y408-L482 PolarHBondContact O-N 2.89Å; Y408-T484 HydrophobicContact CD2-CG2 4.09Å; Y408-T484 HydrophobicContact CE2-CG2 4.04Å; Y408-L491 HydrophobicContact CD2-CD1 4.27Å; Y408-L491 HydrophobicContact CE1-CD1 4.23Å; Y408-L491 HydrophobicContact CE2-CD1 3.82Å
409Q96.7Very high94.2Very high113 Ų11346.4 Ų46.453%0.52825%0.253SS..EExtended strand (participates in β ladder)trans-96.1118.5171.8-63.6-174.712.400109.1Y480 F481Q409-Y480 WeakPolarHBondContact CA-O 3.18Å; Q409-F481 HydrophobicContact CG-CD1 3.89Å; Q409-F481 HydrophobicContact CG-CE1 3.69Å
410V95Very high94.2Very high30 Ų3046.2 Ų46.218%0.18225%0.25CS..EExtended strand (participates in β ladder)trans-120.5121-177.1-175.60000109.3N412 V415 Y480V410-N412 PolarHBondContact O-N 2.86Å; V410-V415 HydrophobicContact CG1-CB 4.41Å; V410-V415 HydrophobicContact CG1-CG1 3.65Å; V410-V415 HydrophobicContact CG1-CG2 3.81Å; V410-Y480 PolarHBondContact N-O 2.83Å; V410-Y480 PolarHBondContact O-N 2.99Å
411P94.6Very high94.1Very high58 Ų5842.4 Ų42.438%0.37724%0.238SC..EExtended strand (participates in β ladder)trans-60.3132.7173.4-22.833.7000111.6T413 A414 L479P411-T413 PolarHBondContact O-N 3.36Å; P411-T413 VanDerWaalsContact O-N 3.12Å; P411-A414 HydrophobicContact CB-CB 4.14Å; P411-A414 WeakPolarHBondContact O-CB 3.24Å; P411-A414 PolarHBondContact O-N 3.4Å; P411-L479 HydrophobicContact CG-CD2 4.43Å
412N93.3Very high94Very high17 Ų1744.3 Ų44.39%0.09125%0.251CS..THydrogen-bonded Turntrans-66.8-12.317969.27.1000113.8V410 P453 V454 G478 Y480V410-N412 PolarHBondContact O-N 2.86Å; N412-P453 HydrophobicContact CB-CB 4.33Å; N412-V454 PolarHBondContact O-N 2.89Å; N412-G478 WeakPolarHBondContact CB-O 3.26Å; N412-G478 VanDerWaalsContact CG-O 3.22Å; N412-G478 PolarHBondContact N-O 3.01Å; N412-G478 VanDerWaalsContact ND2-CA 3.26Å; N412-G478 WeakPolarHBondContact ND2-CA 3.38Å; N412-G478 PolarHBondContact OD1-O 2.99Å; N412-Y480 HydrophobicContact CB-CD1 4.41Å; N412-Y480 HydrophobicContact CB-CD2 4.34Å; N412-Y480 HydrophobicContact CB-CE1 3.77Å; N412-Y480 HydrophobicContact CB-CE2 3.7Å; N412-Y480 WeakPolarHBondContact CB-OH 3.34Å
413T93.9Very high93.8Very high57 Ų5753.5 Ų53.535%0.3529%0.294SS..THydrogen-bonded Turntrans-86-17.7173.759.50000113.1P411 S449P411-T413 PolarHBondContact O-N 3.36Å; P411-T413 VanDerWaalsContact O-N 3.12Å; T413-S449 WeakPolarHBondContact CG2-OG 3.35Å
414A92Very high93.9Very high53 Ų5353.6 Ų53.644%0.43830%0.297SS..THydrogen-bonded Turntrans-90.6-22.9-175.300000112.9P411P411-A414 HydrophobicContact CB-CB 4.14Å; P411-A414 WeakPolarHBondContact O-CB 3.24Å; P411-A414 PolarHBondContact O-N 3.4Å
415V94.5Very high93.8Very high8 Ų852.1 Ų52.15%0.04829%0.293CS..SBendtrans-128.3139.4-178.5-56.80000110.9V410 Y480 N495 L497V410-V415 HydrophobicContact CG1-CB 4.41Å; V410-V415 HydrophobicContact CG1-CG1 3.65Å; V410-V415 HydrophobicContact CG1-CG2 3.81Å; V415-Y480 HydrophobicContact CG2-CD2 3.74Å; V415-Y480 HydrophobicContact CG2-CE2 3.7Å; V415-N495 CarbonylContact C-O 3.53Å; V415-N495 VanDerWaalsContact CA-O 3.3Å; V415-N495 WeakPolarHBondContact CA-O 3.42Å; V415-L497 HydrophobicContact CG2-CD1 4Å; V415-L497 HydrophobicContact CG2-CG 4.15Å
416A94.7Very high93.5Very high1 Ų155.5 Ų55.51%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-77.2148.317100000110.7L443 V447 V454 L456 N495 C496 L497A416-L443 HydrophobicContact CB-CD1 4.09Å; A416-V447 HydrophobicContact CB-CG1 4.43Å; A416-V447 HydrophobicContact CB-CG2 3.96Å; A416-V454 CarbonylContact C-O 3.57Å; A416-V454 WeakPolarHBondContact CA-O 3.47Å; A416-V454 HydrophobicContact CB-CB 4.36Å; A416-V454 HydrophobicContact CB-CG1 3.98Å; A416-L456 HydrophobicContact CB-CD1 4.23Å; A416-L456 HydrophobicContact CB-CD2 3.82Å; A416-L456 HydrophobicContact CB-CG 3.87Å; A416-N495 PolarHBondContact N-O 3.19Å; A416-C496 HydrophobicContact CB-CB 4.48Å; A416-C496 CarbonylContact O-C 3.6Å; A416-C496 WeakPolarHBondContact O-CA 3.37Å; A416-L497 PolarHBondContact O-N 3.26Å
417L94.8Very high93.3Very high0 Ų053.5 Ų53.50%031%0.309CS..EExtended strand (participates in β ladder)trans-121.9125.5177.9-174.567.7000109M429 F430 V433 V454 I455 L456 L497L417-M429 HydrophobicContact CD2-CE 4.1Å; L417-M429 HydrophobicContact CG-CE 3.97Å; L417-F430 HydrophobicContact CD2-CD1 4.1Å; L417-F430 HydrophobicContact CD2-CE1 4.13Å; L417-V433 HydrophobicContact CD1-CB 4.36Å; L417-V433 HydrophobicContact CD1-CG1 3.98Å; L417-V433 HydrophobicContact CD1-CG2 4.24Å; L417-V433 HydrophobicContact CD2-CB 4.47Å; L417-V433 HydrophobicContact CD2-CG1 4.09Å; L417-V433 HydrophobicContact CD2-CG2 3.68Å; L417-V433 HydrophobicContact CG-CG1 4.2Å; L417-V433 HydrophobicContact CG-CG2 4.48Å; L417-V454 PolarHBondContact N-O 2.69Å; L417-I455 CarbonylContact O-C 3.59Å; L417-I455 WeakPolarHBondContact O-CA 3.44Å; L417-L456 PolarHBondContact O-N 2.98Å; L417-L497 WeakPolarHBondContact CA-O 3.48Å; L417-L497 HydrophobicContact CD1-CB 3.87Å
418G94.4Very high93.1Very high2 Ų257.5 Ų57.52%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-133.7152.6179.600000112.4L497 L498 L499G418-L497 PolarHBondContact N-O 3.39Å; G418-L498 CarbonylContact O-C 3.4Å; G418-L498 WeakPolarHBondContact O-CA 3.32Å; G418-L499 PolarHBondContact O-N 3.25Å
419V94.3Very high92.8Very high23 Ų2353 Ų5314%0.13931%0.307CS..EExtended strand (participates in β ladder)trans-115.4126.4169.4-174.50000107.5H421 V424 M429 V433 L499V419-H421 WeakPolarHBondContact CG1-ND1 3.41Å; V419-V424 HydrophobicContact CB-CG2 4.14Å; V419-V424 HydrophobicContact CG1-CG2 3.91Å; V419-V424 HydrophobicContact CG2-CB 4.27Å; V419-V424 HydrophobicContact CG2-CG2 4Å; V419-M429 HydrophobicContact CG2-CE 3.76Å; V419-M429 HydrophobicContact CG2-SD 3.76Å; V419-V433 HydrophobicContact CG2-CG1 4.39Å; V419-L499 HydrophobicContact CG1-CB 4.48Å; V419-L499 HydrophobicContact CG1-CD2 4.2Å; V419-L499 HydrophobicContact CG1-CG 4.49Å; V419-L499 HydrophobicContact CG2-CB 4.21Å; V419-L499 HydrophobicContact CG2-CD2 4.06Å
420I92.6Very high92.7Very high36 Ų3650 Ų5019%0.18529%0.292CS..SBendtrans-113.4-5.6-167.171178.5000113.9Y245 Y246 A459 L498 L499Y245-I420 HydrophobicContact CD1-CD1 3.92Å; Y245-I420 HydrophobicContact CE1-CD1 4.1Å; Y246-I420 WeakPolarHBondContact O-CD1 3.2Å; I420-A459 HydrophobicContact CB-CB 4.01Å; I420-A459 HydrophobicContact CG2-CB 3.4Å; I420-L498 HydrophobicContact CD1-CB 4.37Å; I420-L498 HydrophobicContact CD1-CD1 4.48Å; I420-L498 HydrophobicContact CG2-CB 4.11Å; I420-L498 HydrophobicContact CG2-CD1 4.12Å; I420-L498 HydrophobicContact CG2-CD2 3.8Å; I420-L498 HydrophobicContact CG2-CG 4.23Å; I420-L499 PolarHBondContact N-O 3.18Å
421H91.6Very high92.6Very high60 Ų6057.6 Ų57.628%0.27832%0.319SS..SBendtrans-110.2-13.5-17671.4-79.2000113.8Q248 V419 L499 G500 A501Q248-H421 HydrophobicContact CG-CB 3.77Å; V419-H421 WeakPolarHBondContact CG1-ND1 3.41Å; H421-L499 PolarHBondContact ND1-O 3.03Å; H421-G500 PolarHBondContact CE1-O 3.25Å; H421-G500 PolarHBondContact ND1-O 3.28Å; H421-A501 HydrophobicContact CB-CB 3.8Å; H421-A501 VanDerWaalsContact CG-N 3.29Å; H421-A501 PolarHBondContact ND1-N 2.83Å
422C90.6Very high92.5Very high63 Ų6356.5 Ų56.543%0.42632%0.315SS..SBendtrans-159.6163.9177.966.80000110.4
423E90.4Very high92.6Very high199 Ų19955.7 Ų55.793%0.9331%0.311SS*.  trans-81130.8172.3-66-172.8170.600110.7
424V91.4Very high92.6Very high40 Ų4055 Ų5524%0.24230%0.304CS..  trans-128.2127.1177.8-179.80000108.8V419 H428 M429 A432V419-V424 HydrophobicContact CB-CG2 4.14Å; V419-V424 HydrophobicContact CG1-CG2 3.91Å; V419-V424 HydrophobicContact CG2-CB 4.27Å; V419-V424 HydrophobicContact CG2-CG2 4Å; V424-H428 HydrophobicContact CG1-CB 4Å; V424-M429 HydrophobicContact CB-SD 3.92Å; V424-M429 HydrophobicContact CG1-CG 4.35Å; V424-M429 HydrophobicContact CG1-SD 3.86Å; V424-A432 HydrophobicContact CG1-CB 4.08Å; V424-A432 HydrophobicContact CG2-CB 4.42Å
425A91Very high92.7Very high48 Ų4853.4 Ų53.440%0.39729%0.292SS..  trans-59.8139.4174.600000110S427 H428 M429A425-S427 PolarHBondContact O-N 2.65Å; A425-H428 WeakPolarHBondContact O-CA 3.49Å; A425-H428 PolarHBondContact O-N 3.45Å; A425-M429 PolarHBondContact O-N 3.17Å
426P88.8Confident92.7Very high98 Ų9854.3 Ų54.364%0.63630%0.299SS*.G310 helixtrans-52.3-34.1-178.9-30.636.3000114.3H428 M429 I455P426-H428 PolarHBondContact O-N 3.44Å; P426-M429 PolarHBondContact O-N 3.12Å; P426-I455 HydrophobicContact CB-CD1 4.27Å
427S90.2Very high92.9Very high90 Ų9054.3 Ų54.363%0.62930%0.298SS*.G310 helixtrans-66.1-21.9176.155.70000114.2A425A425-S427 PolarHBondContact O-N 2.65Å
428H92.5Very high93Very high111 Ų11154.3 Ų54.351%0.51430%0.298SS..G310 helixtrans-102.1-4.5-178.4-64.1161.1000113.9V424 A425 P426 F430 Y431 A432V424-H428 HydrophobicContact CG1-CB 4Å; A425-H428 WeakPolarHBondContact O-CA 3.49Å; A425-H428 PolarHBondContact O-N 3.45Å; P426-H428 PolarHBondContact O-N 3.44Å; H428-F430 PolarHBondContact O-N 3.13Å; H428-Y431 PolarHBondContact O-N 2.78Å; H428-Y431 VanDerWaalsContact O-N 3.08Å; H428-A432 PolarHBondContact O-N 2.93Å
429M92Very high93.1Very high6 Ų654.2 Ų54.23%0.0330%0.297CS..Hα-helixtrans-53.3-49.7-174.4-75.1-69-63.600112.8L417 V419 V424 A425 P426 Y431 A432 V433 I455L417-M429 HydrophobicContact CD2-CE 4.1Å; L417-M429 HydrophobicContact CG-CE 3.97Å; V419-M429 HydrophobicContact CG2-CE 3.76Å; V419-M429 HydrophobicContact CG2-SD 3.76Å; V424-M429 HydrophobicContact CB-SD 3.92Å; V424-M429 HydrophobicContact CG1-CG 4.35Å; V424-M429 HydrophobicContact CG1-SD 3.86Å; A425-M429 PolarHBondContact O-N 3.17Å; P426-M429 PolarHBondContact O-N 3.12Å; M429-Y431 VanDerWaalsContact C-N 3.33Å; M429-Y431 PolarHBondContact O-N 2.88Å; M429-A432 PolarHBondContact O-N 3.17Å; M429-V433 WeakPolarHBondContact O-CG2 3.26Å; M429-V433 PolarHBondContact O-N 3.42Å; M429-I455 HydrophobicContact CB-CD1 4.33Å; M429-I455 HydrophobicContact CE-CG2 3.87Å; M429-I455 HydrophobicContact CG-CD1 4.02Å; M429-I455 HydrophobicContact CG-CG1 4.41Å; M429-I455 HydrophobicContact CG-CG2 4.11Å; M429-I455 HydrophobicContact SD-CG2 4.23Å
430F94.3Very high93.3Very high50 Ų5053.1 Ų53.122%0.21929%0.291CS..Hα-helixtrans-66.1-33.2-179.3-66.1-19.7000113.4L417 H428 A432 N434 P453 I473 T475 Y480L417-F430 HydrophobicContact CD2-CD1 4.1Å; L417-F430 HydrophobicContact CD2-CE1 4.13Å; H428-F430 PolarHBondContact O-N 3.13Å; F430-A432 VanDerWaalsContact C-N 3.35Å; F430-N434 VanDerWaalsContact O-CB 3.26Å; F430-N434 WeakPolarHBondContact O-CB 3.25Å; F430-N434 PolarHBondContact O-N 3.29Å; F430-N434 VanDerWaalsContact O-N 3.09Å; F430-P453 HydrophobicContact CE1-CB 4.08Å; F430-P453 HydrophobicContact CE1-CG 4.46Å; F430-P453 HydrophobicContact CE2-CG 4.45Å; F430-P453 HydrophobicContact CZ-CB 3.66Å; F430-P453 HydrophobicContact CZ-CG 3.72Å; F430-I473 HydrophobicContact CB-CD1 3.93Å; F430-I473 HydrophobicContact CD1-CD1 4.03Å; F430-I473 HydrophobicContact CD1-CG2 4.43Å; F430-I473 HydrophobicContact CD2-CG2 4.3Å; F430-I473 HydrophobicContact CE2-CG2 4.5Å; F430-I473 HydrophobicContact CG-CD1 4.16Å; F430-I473 HydrophobicContact CG-CG2 4.25Å; F430-T475 HydrophobicContact CD2-CG2 3.66Å; F430-T475 HydrophobicContact CE2-CG2 3.88Å; F430-Y480 HydrophobicContact CD1-CE1 4.48Å; F430-Y480 AromaticContact CE1-CE1 3.86Å; F430-Y480 HydrophobicContact CE1-CE1 3.86Å; F430-Y480 WeakPolarHBondContact CE1-OH 2.99Å; F430-Y480 HydrophobicContact CZ-CE1 4.35Å
431Y92.9Very high93.5Very high190 Ų19051.5 Ų51.575%0.74528%0.282SS*.Hα-helixtrans-68.3-37.7174.2-62-76.7000111.7H428 M429H428-Y431 PolarHBondContact O-N 2.78Å; H428-Y431 VanDerWaalsContact O-N 3.08Å; M429-Y431 VanDerWaalsContact C-N 3.33Å; M429-Y431 PolarHBondContact O-N 2.88Å
432A92.9Very high93.6Very high35 Ų3549.8 Ų49.829%0.28928%0.277SS..Hα-helixtrans-69.3-39179.500000112.6V424 H428 M429 F430 S436 L499V424-A432 HydrophobicContact CG1-CB 4.08Å; V424-A432 HydrophobicContact CG2-CB 4.42Å; H428-A432 PolarHBondContact O-N 2.93Å; M429-A432 PolarHBondContact O-N 3.17Å; F430-A432 VanDerWaalsContact C-N 3.35Å; A432-S436 PolarHBondContact O-OG 3.48Å; A432-L499 HydrophobicContact CB-CD2 4.29Å; A432-L499 WeakPolarHBondContact O-CD2 3.26Å
433V94.1Very high93.8Very high0 Ų048.2 Ų48.20%026%0.264CS..Hα-helixtrans-91.9-17.6-174.3-560000114L417 V419 M429 S436 L470 I473 L499L417-V433 HydrophobicContact CD1-CB 4.36Å; L417-V433 HydrophobicContact CD1-CG1 3.98Å; L417-V433 HydrophobicContact CD1-CG2 4.24Å; L417-V433 HydrophobicContact CD2-CB 4.47Å; L417-V433 HydrophobicContact CD2-CG1 4.09Å; L417-V433 HydrophobicContact CD2-CG2 3.68Å; L417-V433 HydrophobicContact CG-CG1 4.2Å; L417-V433 HydrophobicContact CG-CG2 4.48Å; V419-V433 HydrophobicContact CG2-CG1 4.39Å; M429-V433 WeakPolarHBondContact O-CG2 3.26Å; M429-V433 PolarHBondContact O-N 3.42Å; V433-S436 VanDerWaalsContact O-CB 3.23Å; V433-S436 WeakPolarHBondContact O-CB 3.3Å; V433-S436 PolarHBondContact O-N 2.93Å; V433-S436 PolarHBondContact O-OG 2.82Å; V433-L470 HydrophobicContact CB-CD2 3.96Å; V433-L470 HydrophobicContact CG2-CD2 3.6Å; V433-I473 HydrophobicContact CG2-CD1 3.68Å; V433-L499 HydrophobicContact CB-CD2 4.49Å; V433-L499 HydrophobicContact CG1-CB 4Å; V433-L499 HydrophobicContact CG1-CD2 3.78Å; V433-L499 HydrophobicContact CG1-CG 4.41Å
434N94.8Very high93.6Very high41 Ų4144.1 Ų44.122%0.21926%0.264CS..THydrogen-bonded Turntrans-63.9142.7-178.8-162.636.3000110.9F430 S436 G472 I473 Y521F430-N434 VanDerWaalsContact O-CB 3.26Å; F430-N434 WeakPolarHBondContact O-CB 3.25Å; F430-N434 PolarHBondContact O-N 3.29Å; F430-N434 VanDerWaalsContact O-N 3.09Å; N434-S436 PolarHBondContact O-N 2.95Å; N434-S436 VanDerWaalsContact O-N 3.12Å; N434-S436 PolarHBondContact O-OG 2.87Å; N434-G472 VanDerWaalsContact OD1-CA 3.31Å; N434-G472 WeakPolarHBondContact OD1-CA 3.48Å; N434-I473 HydrophobicContact CB-CD1 4.17Å; N434-Y521 PolarHBondContact ND2-OH 3.47Å
435A93.5Very high93.3Very high21 Ų2150 Ų5017%0.17429%0.289CS..THydrogen-bonded Turntrans53.527.2-17600000114.5L470 Y521A435-L470 VanDerWaalsContact CA-O 3.25Å; A435-L470 WeakPolarHBondContact CA-O 3.44Å; A435-L470 PolarHBondContact N-O 2.98Å; A435-Y521 HydrophobicContact CB-CD2 3.84Å; A435-Y521 HydrophobicContact CB-CE2 3.46Å; A435-Y521 VanDerWaalsContact CB-CE2 3.46Å
436S95.9Very high93Very high27 Ų2756.8 Ų56.819%0.18931%0.31CS..EExtended strand (participates in β ladder)trans-111.9159.6-176.5-60.70000112.9A432 V433 N434 L470A432-S436 PolarHBondContact O-OG 3.48Å; V433-S436 VanDerWaalsContact O-CB 3.23Å; V433-S436 WeakPolarHBondContact O-CB 3.3Å; V433-S436 PolarHBondContact O-N 2.93Å; V433-S436 PolarHBondContact O-OG 2.82Å; N434-S436 PolarHBondContact O-N 2.95Å; N434-S436 VanDerWaalsContact O-N 3.12Å; N434-S436 PolarHBondContact O-OG 2.87Å; S436-L470 PolarHBondContact O-N 3.37Å
437L97.4Very high92.8Very high1 Ų153.7 Ų53.71%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-79.1129.7168.8-173.476.3000109.2L384 F467 L499 I502L384-L437 HydrophobicContact CD2-CD2 3.46Å; L384-L437 VanDerWaalsContact CD2-CD2 3.46Å; L437-F467 HydrophobicContact CD1-CB 4.07Å; L437-F467 HydrophobicContact CD2-CD1 4.23Å; L437-F467 HydrophobicContact CG-CD1 4.24Å; L437-L499 WeakPolarHBondContact O-CD1 3.34Å; L437-I502 HydrophobicContact CD2-CG2 4.05Å
438V97.4Very high92.5Very high0 Ų055 Ų550%029%0.294CS..EExtended strand (participates in β ladder)trans-124.8142177.5-64.10000111L440 F467 G468 L470 L482 L497 L498V438-L440 HydrophobicContact CG2-CD2 4.23Å; V438-F467 WeakPolarHBondContact O-CA 3.43Å; V438-G468 WeakPolarHBondContact CG2-O 3.15Å; V438-G468 PolarHBondContact N-O 3Å; V438-G468 PolarHBondContact O-N 3.25Å; V438-L470 HydrophobicContact CG1-CB 4.49Å; V438-L482 HydrophobicContact CG2-CD1 3.98Å; V438-L497 HydrophobicContact CG2-CB 4.47Å; V438-L497 HydrophobicContact CG2-CD2 4.35Å; V438-L498 CarbonylContact C-O 3.52Å; V438-L498 WeakPolarHBondContact CA-O 3.33Å
439G97.3Very high92.1Very high0 Ų051.7 Ų51.70%028%0.283CS..EExtended strand (participates in β ladder)trans-74.2136.3166.700000110.4L497 L498G439-L497 WeakPolarHBondContact O-CA 3.48Å; G439-L498 PolarHBondContact N-O 3.3Å; G439-L498 PolarHBondContact O-N 3.04Å
440L97.4Very high91.7Very high0 Ų061.9 Ų61.90%033%0.327CS..EExtended strand (participates in β ladder)trans-97.1106.5178.7-54.1-176000108.6V438 C464 V465 G466 L482 T484 V486 L491 V494 L497V438-L440 HydrophobicContact CG2-CD2 4.23Å; L440-C464 CarbonylContact O-C 3.5Å; L440-C464 WeakPolarHBondContact O-CA 3.41Å; L440-C464 PolarHBondContact O-SG 3.12Å; L440-V465 HydrophobicContact CB-CG2 4.12Å; L440-V465 WeakPolarHBondContact O-CG2 3.5Å; L440-V465 PolarHBondContact O-N 2.88Å; L440-G466 WeakPolarHBondContact CB-O 3.44Å; L440-G466 PolarHBondContact N-O 3.44Å; L440-L482 HydrophobicContact CD1-CD2 4.37Å; L440-L482 HydrophobicContact CD2-CD1 4.26Å; L440-L482 HydrophobicContact CD2-CD2 3.75Å; L440-T484 HydrophobicContact CD1-CG2 4.06Å; L440-T484 WeakPolarHBondContact CD1-OG1 3.34Å; L440-V486 HydrophobicContact CD1-CB 4.37Å; L440-V486 HydrophobicContact CD1-CG2 4Å; L440-L491 HydrophobicContact CD1-CD2 3.79Å; L440-V494 HydrophobicContact CB-CG1 4.09Å; L440-V494 HydrophobicContact CB-CG2 4.03Å; L440-L497 HydrophobicContact CD2-CD2 3.36Å
441C96.4Very high91Very high1 Ų163.1 Ų63.11%0.00735%0.354CS..EExtended strand (participates in β ladder)trans-119156.3-166.9-61.10000113.4P463 N495 C496 L498C441-P463 CarbonylContact C-O 3.57Å; C441-P463 VanDerWaalsContact CA-O 3.25Å; C441-P463 WeakPolarHBondContact CA-O 3.36Å; C441-N495 PolarHBondContact O-N 3.38Å; C441-N495 PolarHBondContact O-OD1 3.48Å; C441-C496 HydrophobicContact CB-CB 4.06Å; C441-C496 PolarHBondContact N-O 3.32Å; C441-C496 PolarHBondContact O-N 3.19Å; C441-C496 VanDerWaalsContact O-N 3.08Å; C441-L498 HydrophobicContact CB-CD1 4.25Å; C441-L498 HydrophobicContact CB-CG 4.41Å
442C95.1Very high90.6Very high25 Ų2555.2 Ų55.217%0.16933%0.33CS..  trans-118.2100.1-179.3-58.30000109.9P463 K493C442-P463 PolarHBondContact N-O 2.83Å; C442-P463 WeakPolarHBondContact O-CD 3.43Å; C442-K493 PolarHBondContact SG-O 2.75Å
443L93.1Very high90.4Very high29 Ų2956 Ų5615%0.15233%0.332CS..  trans-72.3142.5170.9-61.1171.5000110.4A416 E445 V447 L456 C462 N495 C496A416-L443 HydrophobicContact CB-CD1 4.09Å; L443-E445 VanDerWaalsContact C-N 3.33Å; L443-V447 HydrophobicContact CD1-CG2 4.32Å; L443-L456 HydrophobicContact CD1-CD1 4.35Å; L443-L456 HydrophobicContact CD1-CD2 4.37Å; L443-C462 HydrophobicContact CD2-CB 4.06Å; L443-N495 WeakPolarHBondContact CB-OD1 3.32Å; L443-N495 PolarHBondContact N-OD1 3.28Å; L443-N495 PolarHBondContact O-ND2 3.12Å; L443-N495 VanDerWaalsContact O-ND2 3.08Å; L443-C496 HydrophobicContact CD1-CB 3.73Å; L443-C496 HydrophobicContact CD2-CB 4.38Å; L443-C496 HydrophobicContact CG-CB 3.66Å
444A87.7Confident90.2Very high113 Ų11357.1 Ų57.193%0.93434%0.339SS*.SBendtrans-67.3-37.117400000111.8
445E85.6Confident90.1Very high163 Ų16358.1 Ų58.176%0.76234%0.344SS*.SBendtrans-81.3145.6177-63.4-175.1178.500111.3L443 N495L443-E445 VanDerWaalsContact C-N 3.33Å; E445-N495 PolarHBondContact O-ND2 3.09Å
446K84.3Confident89.9Confident191 Ų19159 Ų5983%0.8335%0.346SS*.PPolyproline II helixtrans-72.5134.7174.8-72.2-173.8178.7-179.60109.8T448K446-T448 PolarHBondContact O-N 3.05Å
447V84.8Confident89.1Confident34 Ų3463.6 Ų63.621%0.20638%0.378CS..PPolyproline II helixtrans-68.4116.8173.1175.20000109.5A416 L443 V454 N495A416-V447 HydrophobicContact CB-CG1 4.43Å; A416-V447 HydrophobicContact CB-CG2 3.96Å; L443-V447 HydrophobicContact CD1-CG2 4.32Å; V447-V454 HydrophobicContact CG1-CB 3.84Å; V447-V454 HydrophobicContact CG1-CG1 3.93Å; V447-V454 HydrophobicContact CG1-CG2 3.61Å; V447-N495 HydrophobicContact CG2-CB 3.98Å; V447-N495 VanDerWaalsContact CG2-O 3.25Å; V447-N495 WeakPolarHBondContact CG2-O 3.39Å
448T83.1Confident88Confident118 Ų11871.2 Ų71.272%0.72441%0.413SS*.  trans-109.2113.917555.80000110.2K446K446-T448 PolarHBondContact O-N 3.05Å
449S84.2Confident86.7Confident41 Ų4173.9 Ų73.929%0.28744%0.436SS..  trans-91.3144.1175.5174.30000111.9T413 G451 G452T413-S449 WeakPolarHBondContact CG2-OG 3.35Å; S449-G451 VanDerWaalsContact C-N 3.33Å; S449-G451 PolarHBondContact OG-N 3.41Å; S449-G451 VanDerWaalsContact OG-N 3.12Å; S449-G452 PolarHBondContact OG-N 3.24Å; S449-G452 PolarHBondContact OG-O 3.26Å
450K84.4Confident85.8Confident219 Ų21978.2 Ų78.295%0.95246%0.462SS*.SBendtrans-97.337.7169.1-62.2-177.3-179.1177.70111.8
451G77.9Confident85.2Confident77 Ų7782.1 Ų82.179%0.79448%0.483SS*.SBendtrans82.914.9-17900000114.9S449S449-G451 VanDerWaalsContact C-N 3.33Å; S449-G451 PolarHBondContact OG-N 3.41Å; S449-G451 VanDerWaalsContact OG-N 3.12Å
452G85Confident85Confident24 Ų2482.6 Ų82.625%0.24749%0.485CS..SBendtrans-147.4-177.7179.200000112.5S449 V454S449-G452 PolarHBondContact OG-N 3.24Å; S449-G452 PolarHBondContact OG-O 3.26Å; G452-V454 PolarHBondContact O-N 2.94Å
453P87.9Confident85Confident50 Ų5083.6 Ų83.633%0.32549%0.492SS..  trans-60.5137.4179.726.8-34.8000111N412 F430N412-P453 HydrophobicContact CB-CB 4.33Å; F430-P453 HydrophobicContact CE1-CB 4.08Å; F430-P453 HydrophobicContact CE1-CG 4.46Å; F430-P453 HydrophobicContact CE2-CG 4.45Å; F430-P453 HydrophobicContact CZ-CB 3.66Å; F430-P453 HydrophobicContact CZ-CG 3.72Å
454V91.3Very high85.1Confident25 Ų2582.5 Ų82.515%0.15249%0.486CS..EExtended strand (participates in β ladder)trans-88.3112.8175.1-175.40000108.7N412 A416 L417 V447 G452N412-V454 PolarHBondContact O-N 2.89Å; A416-V454 CarbonylContact C-O 3.57Å; A416-V454 WeakPolarHBondContact CA-O 3.47Å; A416-V454 HydrophobicContact CB-CB 4.36Å; A416-V454 HydrophobicContact CB-CG1 3.98Å; L417-V454 PolarHBondContact N-O 2.69Å; V447-V454 HydrophobicContact CG1-CB 3.84Å; V447-V454 HydrophobicContact CG1-CG1 3.93Å; V447-V454 HydrophobicContact CG1-CG2 3.61Å; G452-V454 PolarHBondContact O-N 2.94Å
455I91.5Very high85.5Confident62 Ų6278.2 Ų78.232%0.31845%0.449SS..EExtended strand (participates in β ladder)trans-107.7128179.8-63.9164.3000108.7L417 P426 M429L417-I455 CarbonylContact O-C 3.59Å; L417-I455 WeakPolarHBondContact O-CA 3.44Å; P426-I455 HydrophobicContact CB-CD1 4.27Å; M429-I455 HydrophobicContact CB-CD1 4.33Å; M429-I455 HydrophobicContact CE-CG2 3.87Å; M429-I455 HydrophobicContact CG-CD1 4.02Å; M429-I455 HydrophobicContact CG-CG1 4.41Å; M429-I455 HydrophobicContact CG-CG2 4.11Å; M429-I455 HydrophobicContact SD-CG2 4.23Å
456L89.1Confident86.1Confident40 Ų4070.6 Ų70.621%0.20941%0.413CS..  trans-80.5129.3174.1-61.8-179.2000109.9A416 L417 L443 C496 L498A416-L456 HydrophobicContact CB-CD1 4.23Å; A416-L456 HydrophobicContact CB-CD2 3.82Å; A416-L456 HydrophobicContact CB-CG 3.87Å; L417-L456 PolarHBondContact O-N 2.98Å; L443-L456 HydrophobicContact CD1-CD1 4.35Å; L443-L456 HydrophobicContact CD1-CD2 4.37Å; L456-C496 VanDerWaalsContact CD1-SG 3.57Å; L456-L498 HydrophobicContact CD1-CD2 4.06Å
457S79Confident86.7Confident123 Ų12361.5 Ų61.586%0.8637%0.374SS*.SBendtrans-77.2-31.3172.2530000112.4
458Q75.1Confident87.3Confident160 Ų16059.9 Ų59.975%0.74836%0.364SS*.SBendtrans-141.2141.1177.9-71.2-177.3-15.700110.1
459A70.2Confident88Confident57 Ų5754.9 Ų54.947%0.47133%0.333SS..  trans-73.8127.8175.700000110I420I420-A459 HydrophobicContact CB-CB 4.01Å; I420-A459 HydrophobicContact CG2-CB 3.4Å
460T78.1Confident88.6Confident91 Ų9152.9 Ų52.956%0.55832%0.32SS*.  trans-97144.2171.2-420000109.5C462T460-C462 PolarHBondContact O-N 3.21Å; T460-C462 PolarHBondContact O-SG 2.96Å
461L85.4Confident89Confident82 Ų8247.6 Ų47.643%0.42929%0.294SS..  trans-57110.8170.6-167.379000109.6I244 S261I244-L461 HydrophobicContact CD1-CD1 3.96Å; I244-L461 HydrophobicContact CD1-CD2 4.42Å; I244-L461 HydrophobicContact CD1-CG 4.23Å; I244-L461 HydrophobicContact CG2-CD1 3.83Å; S261-L461 WeakPolarHBondContact OG-CD1 3.48Å
462C91.3Very high89.8Confident10 Ų1044.6 Ų44.67%0.06826%0.263CS..  trans-140.5150.8-176.956.70000111.7L443 T460 C464L443-C462 HydrophobicContact CD2-CB 4.06Å; T460-C462 PolarHBondContact O-N 3.21Å; T460-C462 PolarHBondContact O-SG 2.96Å; C462-C464 PolarHBondContact O-N 3.18Å
463P95.2Very high90.4Very high46 Ų4645 Ų4530%0.29926%0.259SS..BIsolated β-bridgetrans-58.1133.2171.8-25.133.9000111.8C441 C442C441-P463 CarbonylContact C-O 3.57Å; C441-P463 VanDerWaalsContact CA-O 3.25Å; C441-P463 WeakPolarHBondContact CA-O 3.36Å; C442-P463 PolarHBondContact N-O 2.83Å; C442-P463 WeakPolarHBondContact O-CD 3.43Å
464C96.3Very high90.7Very high6 Ų644.5 Ų44.54%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-103.9134.4167.8-1720000108.9M243 L440 C462 G466M243-C464 WeakPolarHBondContact CB-O 3.43Å; M243-C464 HydrophobicContact CE-CB 3.97Å; M243-C464 WeakPolarHBondContact CE-O 3.4Å; M243-C464 HydrophobicContact CG-CB 4.34Å; M243-C464 PolarHBondContact O-N 3.03Å; L440-C464 CarbonylContact O-C 3.5Å; L440-C464 WeakPolarHBondContact O-CA 3.41Å; L440-C464 PolarHBondContact O-SG 3.12Å; C462-C464 PolarHBondContact O-N 3.18Å; C464-G466 PolarHBondContact SG-O 3.34Å
465V96.5Very high90.8Very high24 Ų2448 Ų4815%0.14528%0.275CS..EExtended strand (participates in β ladder)trans-107.1-5.7-178.6-62.10000113.2L440 V486 V490 V494L440-V465 HydrophobicContact CB-CG2 4.12Å; L440-V465 WeakPolarHBondContact O-CG2 3.5Å; L440-V465 PolarHBondContact O-N 2.88Å; V465-V486 HydrophobicContact CG2-CG1 4.4Å; V465-V490 HydrophobicContact CB-CG1 3.69Å; V465-V490 HydrophobicContact CG1-CG1 3.91Å; V465-V490 HydrophobicContact CG2-CG1 3.93Å; V465-V494 HydrophobicContact CG2-CG2 3.5Å; V465-V494 VanDerWaalsContact CG2-CG2 3.5Å
466G96.6Very high90.9Very high2 Ų249.5 Ų49.52%0.02130%0.297CS..EExtended strand (participates in β ladder)trans156.2-162.9179.300000111.7L440 C464L440-G466 WeakPolarHBondContact CB-O 3.44Å; L440-G466 PolarHBondContact N-O 3.44Å; C464-G466 PolarHBondContact SG-O 3.34Å
467F97.6Very high91.2Very high1 Ų154.8 Ų54.80%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-128.8155.4-175.6-64.9-91.4000111P216 C219 M243 Y245 Y387 L437 V438 T484P216-F467 HydrophobicContact CB-CD2 3.99Å; P216-F467 HydrophobicContact CB-CE2 3.78Å; P216-F467 HydrophobicContact CB-CZ 4.21Å; P216-F467 HydrophobicContact CG-CD2 3.59Å; P216-F467 HydrophobicContact CG-CE2 3.74Å; P216-F467 HydrophobicContact CG-CG 4.38Å; C219-F467 VanDerWaalsContact SG-CE2 3.59Å; C219-F467 WeakPolarHBondContact SG-CZ 3.48Å; M243-F467 HydrophobicContact CE-CE2 4.12Å; M243-F467 HydrophobicContact SD-CE2 4.23Å; Y245-F467 HydrophobicContact CD1-CE1 4.31Å; Y245-F467 AromaticContact CD2-CE1 3.49Å; Y245-F467 HydrophobicContact CD2-CE1 3.49Å; Y245-F467 VanDerWaalsContact CD2-CE1 3.49Å; Y245-F467 AromaticContact CD2-CZ 3.57Å; Y245-F467 HydrophobicContact CD2-CZ 3.57Å; Y245-F467 HydrophobicContact CE1-CE1 4.26Å; Y245-F467 AromaticContact CE2-CE1 3.43Å; Y245-F467 HydrophobicContact CE2-CE1 3.43Å; Y245-F467 VanDerWaalsContact CE2-CE1 3.43Å; Y245-F467 AromaticContact CE2-CZ 3.9Å; Y245-F467 HydrophobicContact CE2-CZ 3.9Å; Y245-F467 AromaticContact CG-CE1 3.93Å; Y245-F467 HydrophobicContact CG-CE1 3.93Å; Y245-F467 HydrophobicContact CG-CZ 4.13Å; Y245-F467 AromaticContact CZ-CE1 3.81Å; Y387-F467 HydrophobicContact CD1-CB 4.25Å; Y387-F467 HydrophobicContact CE1-CB 3.57Å; Y387-F467 HydrophobicContact CE1-CD2 4.46Å; Y387-F467 HydrophobicContact CE1-CG 4.47Å; Y387-F467 PolarHBondContact OH-N 3.34Å; Y387-F467 PolarHBondContact OH-O 3.03Å; L437-F467 HydrophobicContact CD1-CB 4.07Å; L437-F467 HydrophobicContact CD2-CD1 4.23Å; L437-F467 HydrophobicContact CG-CD1 4.24Å; V438-F467 WeakPolarHBondContact O-CA 3.43Å; F467-T484 WeakPolarHBondContact O-CB 3.34Å; F467-T484 PolarHBondContact O-OG1 2.99Å
468G97.2Very high92Very high0 Ų049.5 Ų49.50%028%0.279CS..EExtended strand (participates in β ladder)trans-142.7158169.900000112.2V438 L483V438-G468 WeakPolarHBondContact CG2-O 3.15Å; V438-G468 PolarHBondContact N-O 3Å; V438-G468 PolarHBondContact O-N 3.25Å; G468-L483 CarbonylContact C-O 3.01Å; G468-L483 WeakPolarHBondContact CA-O 3.43Å
469V97.9Very high93Very high12 Ų1242.9 Ų42.97%0.07325%0.249CC..EExtended strand (participates in β ladder)trans-93.7116.5170.3-175.50000107.7L388 R471 L483 L504L388-V469 HydrophobicContact CD2-CG2 3.86Å; V469-R471 VanDerWaalsContact C-N 3.28Å; V469-R471 PolarHBondContact O-N 2.85Å; V469-L483 HydrophobicContact CB-CB 4.38Å; V469-L483 PolarHBondContact N-O 3.4Å; V469-L483 PolarHBondContact O-N 3.07Å; V469-L504 HydrophobicContact CG1-CD1 4.49Å; V469-L504 HydrophobicContact CG1-CD2 4.04Å; V469-L504 HydrophobicContact CG2-CD1 3.76Å
470L96.8Very high94.3Very high0 Ų040.1 Ų40.10%023%0.226CC..EExtended strand (participates in β ladder)trans-77.286.2172.2-173.662.4000108.2V433 A435 S436 V438 G472 I473 Y480 F481V433-L470 HydrophobicContact CB-CD2 3.96Å; V433-L470 HydrophobicContact CG2-CD2 3.6Å; A435-L470 VanDerWaalsContact CA-O 3.25Å; A435-L470 WeakPolarHBondContact CA-O 3.44Å; A435-L470 PolarHBondContact N-O 2.98Å; S436-L470 PolarHBondContact O-N 3.37Å; V438-L470 HydrophobicContact CG1-CB 4.49Å; L470-G472 VanDerWaalsContact C-N 3.28Å; L470-G472 PolarHBondContact O-N 3.02Å; L470-I473 HydrophobicContact CD2-CD1 3.87Å; L470-I473 HydrophobicContact CD2-CG1 4.02Å; L470-I473 HydrophobicContact CG-CG1 4.27Å; L470-Y480 HydrophobicContact CD1-CD1 4.48Å; L470-Y480 HydrophobicContact CD1-CG 4.2Å; L470-F481 CarbonylContact C-O 3.6Å
471R93.8Very high95.2Very high107 Ų10738 Ų3840%0.40421%0.209SC..EExtended strand (participates in β ladder)trans-63.6-33.8-172.2177.8-177.9171.2170.34112.7H403 L405 V469 F481 L483H403-R471 PolarHBondContact O-NH1 2.91Å; H403-R471 PolarHBondContact O-NH2 3.25Å; L405-R471 PolarHBondContact O-NH1 2.92Å; V469-R471 VanDerWaalsContact C-N 3.28Å; V469-R471 PolarHBondContact O-N 2.85Å; R471-F481 HydrophobicContact CB-CB 4.49Å; R471-F481 PolarHBondContact N-O 3.3Å; R471-L483 HydrophobicContact CB-CD1 4.41Å
472G94.6Very high95.8Very high15 Ų1534.5 Ų34.516%0.15519%0.191CC..EExtended strand (participates in β ladder)trans-167.6158.4-174.800000112.3N434 L470 F481N434-G472 VanDerWaalsContact OD1-CA 3.31Å; N434-G472 WeakPolarHBondContact OD1-CA 3.48Å; L470-G472 VanDerWaalsContact C-N 3.28Å; L470-G472 PolarHBondContact O-N 3.02Å; G472-F481 PolarHBondContact O-N 3.23Å
473I96.3Very high96.1Very high33 Ų3334.4 Ų34.417%0.16919%0.19CC..EExtended strand (participates in β ladder)trans-129.3120.8176.8-56.6173.1000107.8F430 V433 N434 L470 T475 Y480F430-I473 HydrophobicContact CB-CD1 3.93Å; F430-I473 HydrophobicContact CD1-CD1 4.03Å; F430-I473 HydrophobicContact CD1-CG2 4.43Å; F430-I473 HydrophobicContact CD2-CG2 4.3Å; F430-I473 HydrophobicContact CE2-CG2 4.5Å; F430-I473 HydrophobicContact CG-CD1 4.16Å; F430-I473 HydrophobicContact CG-CG2 4.25Å; V433-I473 HydrophobicContact CG2-CD1 3.68Å; N434-I473 HydrophobicContact CB-CD1 4.17Å; L470-I473 HydrophobicContact CD2-CD1 3.87Å; L470-I473 HydrophobicContact CD2-CG1 4.02Å; L470-I473 HydrophobicContact CG-CG1 4.27Å; I473-T475 HydrophobicContact CG2-CG2 4.05Å; I473-Y480 HydrophobicContact CB-CD1 4.48Å; I473-Y480 HydrophobicContact CG1-CD1 4.06Å; I473-Y480 HydrophobicContact CG1-CE1 4.46Å; I473-Y480 HydrophobicContact CG2-CD1 3.97Å; I473-Y480 HydrophobicContact CG2-CE1 4Å
474D96Very high96.2Very high38 Ų3832.5 Ų32.520%0.20318%0.177CC..EExtended strand (participates in β ladder)trans-97.297.9171.2-174.5-25.2000108.2A476 R477 G478 L479 F481D474-A476 VanDerWaalsContact C-N 3.29Å; D474-A476 PolarHBondContact O-N 2.89Å; D474-A476 PolarHBondContact OD1-N 2.87Å; D474-A476 VanDerWaalsContact OD1-N 3.09Å; D474-R477 HydrophobicContact CB-CB 4.47Å; D474-R477 PolarHBondContact OD1-N 3.35Å; D474-R477 VanDerWaalsContact OD2-CD 3.27Å; D474-R477 WeakPolarHBondContact OD2-CD 3.28Å; D474-R477 IonicContact OD2-NH1 3.87Å; D474-G478 CarbonylContact O-C 3.59Å; D474-G478 VanDerWaalsContact O-CA 3.3Å; D474-G478 WeakPolarHBondContact O-CA 3.4Å; D474-G478 PolarHBondContact O-N 3.31Å; D474-L479 HydrophobicContact CB-CB 4.31Å; D474-L479 PolarHBondContact N-O 3.27Å; D474-L479 PolarHBondContact O-N 3.07Å; D474-F481 HydrophobicContact CB-CE2 3.89Å; D474-F481 HydrophobicContact CB-CZ 4.46Å
475T92.6Very high96.2Very high99 Ų9933.7 Ų33.761%0.60719%0.185SC*.THydrogen-bonded Turntrans-70.9-26.6-179.253.20000112.6F430 I473F430-T475 HydrophobicContact CD2-CG2 3.66Å; F430-T475 HydrophobicContact CE2-CG2 3.88Å; I473-T475 HydrophobicContact CG2-CG2 4.05Å
476A94.3Very high96.2Very high94 Ų9433 Ų3378%0.77718%0.181SC*.THydrogen-bonded Turntrans-73-42.1179.900000111.4D474D474-A476 VanDerWaalsContact C-N 3.29Å; D474-A476 PolarHBondContact O-N 2.89Å; D474-A476 PolarHBondContact OD1-N 2.87Å; D474-A476 VanDerWaalsContact OD1-N 3.09Å
477R95Very high96Very high150 Ų15037.2 Ų37.257%0.56620%0.203SC*.THydrogen-bonded Turntrans-90.8-10176.9-66.8174.454.1-146.63113.5D474 L479D474-R477 HydrophobicContact CB-CB 4.47Å; D474-R477 PolarHBondContact OD1-N 3.35Å; D474-R477 VanDerWaalsContact OD2-CD 3.27Å; D474-R477 WeakPolarHBondContact OD2-CD 3.28Å; D474-R477 IonicContact OD2-NH1 3.87Å; R477-L479 HydrophobicContact CB-CD1 3.92Å; R477-L479 HydrophobicContact CB-CG 4.02Å; R477-L479 VanDerWaalsContact NH2-CD1 3.29Å
478G95Very high95.9Very high12 Ų1240.1 Ų40.112%0.12422%0.222CC..THydrogen-bonded Turntrans67.641.8-177.500000113.1N412 D474N412-G478 WeakPolarHBondContact CB-O 3.26Å; N412-G478 VanDerWaalsContact CG-O 3.22Å; N412-G478 PolarHBondContact N-O 3.01Å; N412-G478 VanDerWaalsContact ND2-CA 3.26Å; N412-G478 WeakPolarHBondContact ND2-CA 3.38Å; N412-G478 PolarHBondContact OD1-O 2.99Å; D474-G478 CarbonylContact O-C 3.59Å; D474-G478 VanDerWaalsContact O-CA 3.3Å; D474-G478 WeakPolarHBondContact O-CA 3.4Å; D474-G478 PolarHBondContact O-N 3.31Å
479L96.7Very high95.7Very high21 Ų2143.4 Ų43.411%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-119.7143.3-175.3-60.8174.1000112.4P411 D474 R477P411-L479 HydrophobicContact CG-CD2 4.43Å; D474-L479 HydrophobicContact CB-CB 4.31Å; D474-L479 PolarHBondContact N-O 3.27Å; D474-L479 PolarHBondContact O-N 3.07Å; R477-L479 HydrophobicContact CB-CD1 3.92Å; R477-L479 HydrophobicContact CB-CG 4.02Å; R477-L479 VanDerWaalsContact NH2-CD1 3.29Å
480Y96.9Very high95.6Very high0 Ų044.9 Ų44.90%025%0.254CS..EExtended strand (participates in β ladder)trans-102.7136.7166.7-59.6-33.6000109.6Q409 V410 N412 V415 F430 L470 I473 L497Q409-Y480 WeakPolarHBondContact CA-O 3.18Å; V410-Y480 PolarHBondContact N-O 2.83Å; V410-Y480 PolarHBondContact O-N 2.99Å; N412-Y480 HydrophobicContact CB-CD1 4.41Å; N412-Y480 HydrophobicContact CB-CD2 4.34Å; N412-Y480 HydrophobicContact CB-CE1 3.77Å; N412-Y480 HydrophobicContact CB-CE2 3.7Å; N412-Y480 WeakPolarHBondContact CB-OH 3.34Å; V415-Y480 HydrophobicContact CG2-CD2 3.74Å; V415-Y480 HydrophobicContact CG2-CE2 3.7Å; F430-Y480 HydrophobicContact CD1-CE1 4.48Å; F430-Y480 AromaticContact CE1-CE1 3.86Å; F430-Y480 HydrophobicContact CE1-CE1 3.86Å; F430-Y480 WeakPolarHBondContact CE1-OH 2.99Å; F430-Y480 HydrophobicContact CZ-CE1 4.35Å; L470-Y480 HydrophobicContact CD1-CD1 4.48Å; L470-Y480 HydrophobicContact CD1-CG 4.2Å; I473-Y480 HydrophobicContact CB-CD1 4.48Å; I473-Y480 HydrophobicContact CG1-CD1 4.06Å; I473-Y480 HydrophobicContact CG1-CE1 4.46Å; I473-Y480 HydrophobicContact CG2-CD1 3.97Å; I473-Y480 HydrophobicContact CG2-CE1 4Å; Y480-L497 HydrophobicContact CD2-CD1 4.03Å; Y480-L497 HydrophobicContact CE2-CD1 4.46Å
481F97.7Very high95.4Very high45 Ų4546.2 Ų46.220%0.19726%0.261CS..EExtended strand (participates in β ladder)trans-104.1108.2173-63.5-76.3000109.7P407 Y408 Q409 L470 R471 G472 D474P407-F481 HydrophobicContact CB-CB 3.95Å; P407-F481 HydrophobicContact CB-CD1 4.49Å; P407-F481 HydrophobicContact CG-CB 3.98Å; P407-F481 HydrophobicContact CG-CD1 3.84Å; P407-F481 HydrophobicContact CG-CG 4.31Å; Y408-F481 WeakPolarHBondContact O-CA 3.27Å; Q409-F481 HydrophobicContact CG-CD1 3.89Å; Q409-F481 HydrophobicContact CG-CE1 3.69Å; L470-F481 CarbonylContact C-O 3.6Å; R471-F481 HydrophobicContact CB-CB 4.49Å; R471-F481 PolarHBondContact N-O 3.3Å; G472-F481 PolarHBondContact O-N 3.23Å; D474-F481 HydrophobicContact CB-CE2 3.89Å; D474-F481 HydrophobicContact CB-CZ 4.46Å
482L97.6Very high95.4Very high9 Ų951.5 Ų51.55%0.04728%0.281CS..EExtended strand (participates in β ladder)trans-112130.4-172.7-172.571.2000111.4P407 Y408 V438 L440 T484P407-L482 WeakPolarHBondContact CA-O 3.42Å; Y408-L482 PolarHBondContact N-O 2.85Å; Y408-L482 PolarHBondContact O-N 2.89Å; V438-L482 HydrophobicContact CG2-CD1 3.98Å; L440-L482 HydrophobicContact CD1-CD2 4.37Å; L440-L482 HydrophobicContact CD2-CD1 4.26Å; L440-L482 HydrophobicContact CD2-CD2 3.75Å; L482-T484 HydrophobicContact CD2-CG2 4.17Å; L482-T484 HydrophobicContact CG-CG2 4.38Å
483L97.6Very high95.3Very high8 Ų857.5 Ų57.54%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-106.5126.4167.8-68.2172.3000109.3L402 L405 P407 G468 V469 R471L402-L483 HydrophobicContact CB-CD1 4.49Å; L402-L483 WeakPolarHBondContact O-CD1 3.44Å; L405-L483 HydrophobicContact CB-CD2 3.84Å; P407-L483 HydrophobicContact CB-CD2 3.96Å; P407-L483 HydrophobicContact CB-CG 4.24Å; G468-L483 CarbonylContact C-O 3.01Å; G468-L483 WeakPolarHBondContact CA-O 3.43Å; V469-L483 HydrophobicContact CB-CB 4.38Å; V469-L483 PolarHBondContact N-O 3.4Å; V469-L483 PolarHBondContact O-N 3.07Å; R471-L483 HydrophobicContact CB-CD1 4.41Å
484T97.4Very high95.3Very high6 Ų657 Ų574%0.03730%0.301CS..  trans-157141.3-1791780000111L391 Y408 L440 F467 L482 V486 L491L391-T484 WeakPolarHBondContact CD2-O 3.5Å; Y408-T484 HydrophobicContact CD2-CG2 4.09Å; Y408-T484 HydrophobicContact CE2-CG2 4.04Å; L440-T484 HydrophobicContact CD1-CG2 4.06Å; L440-T484 WeakPolarHBondContact CD1-OG1 3.34Å; F467-T484 WeakPolarHBondContact O-CB 3.34Å; F467-T484 PolarHBondContact O-OG1 2.99Å; L482-T484 HydrophobicContact CD2-CG2 4.17Å; L482-T484 HydrophobicContact CG-CG2 4.38Å; T484-V486 WeakPolarHBondContact OG1-CG2 3.3Å; T484-V486 PolarHBondContact OG1-N 2.87Å; T484-V486 VanDerWaalsContact OG1-N 3.16Å; T484-L491 HydrophobicContact CG2-CD1 3.82Å; T484-L491 HydrophobicContact CG2-CD2 3.85Å; T484-L491 HydrophobicContact CG2-CG 4.43Å
485P95.8Very high95.3Very high32 Ų3256.6 Ų56.621%0.20830%0.299CS..  trans-80.3-1.1172.834.2-35.4000112.8Y387 Q390 L391 D487Y387-P485 HydrophobicContact CD1-CG 4.28Å; Y387-P485 HydrophobicContact CE1-CG 3.56Å; Y387-P485 HydrophobicContact CE2-CG 4.1Å; Y387-P485 VanDerWaalsContact CZ-CG 3.46Å; Y387-P485 WeakPolarHBondContact OH-CG 3.34Å; Q390-P485 HydrophobicContact CB-CB 3.53Å; Q390-P485 HydrophobicContact CB-CG 4.1Å; L391-P485 HydrophobicContact CD2-CB 4.26Å; L391-P485 HydrophobicContact CG-CB 4.25Å; P485-D487 PolarHBondContact O-N 2.88Å
486V96.2Very high95.4Very high10 Ų1051.9 Ų51.96%0.06127%0.27CS..SBendtrans-65.8133.7179.7177.90000110.5Y387 L440 V465 T484 V490 L491Y387-V486 WeakPolarHBondContact OH-CG2 3.48Å; L440-V486 HydrophobicContact CD1-CB 4.37Å; L440-V486 HydrophobicContact CD1-CG2 4Å; V465-V486 HydrophobicContact CG2-CG1 4.4Å; T484-V486 WeakPolarHBondContact OG1-CG2 3.3Å; T484-V486 PolarHBondContact OG1-N 2.87Å; T484-V486 VanDerWaalsContact OG1-N 3.16Å; V486-V490 HydrophobicContact CG1-CB 3.95Å; V486-V490 HydrophobicContact CG1-CG1 3.98Å; V486-L491 HydrophobicContact CB-CD2 3.77Å; V486-L491 HydrophobicContact CB-CG 4.08Å; V486-L491 HydrophobicContact CG1-CD2 3.75Å; V486-L491 HydrophobicContact CG1-CG 3.89Å; V486-L491 VanDerWaalsContact O-CD1 3.3Å; V486-L491 WeakPolarHBondContact O-CD1 3.36Å
487D93.9Very high95.6Very high89 Ų8947.6 Ų47.648%0.47623%0.234SC..  trans-58.6138-178.1-179.4-92.2000112.5P485 S489 V490 L491P485-D487 PolarHBondContact O-N 2.88Å; D487-S489 PolarHBondContact O-N 3.4Å; D487-S489 VanDerWaalsContact O-N 3.12Å; D487-S489 WeakPolarHBondContact OD1-CA 3.38Å; D487-S489 WeakPolarHBondContact OD1-CB 3.12Å; D487-S489 PolarHBondContact OD1-N 2.89Å; D487-S489 PolarHBondContact OD1-OG 3.09Å; D487-V490 HydrophobicContact CB-CG2 4.42Å; D487-V490 PolarHBondContact O-N 3.15Å; D487-L491 PolarHBondContact O-N 3.5Å
488P93.8Very high95.6Very high62 Ų6240.7 Ų40.740%0.40321%0.208SC..Hα-helixtrans-53.5-32.6179.3-29.235.5000115.3V490 L491 R492P488-V490 VanDerWaalsContact C-N 3.29Å; P488-V490 PolarHBondContact O-N 3.5Å; P488-L491 PolarHBondContact O-N 3.01Å; P488-R492 WeakPolarHBondContact O-CG 3.49Å; P488-R492 PolarHBondContact O-N 2.86Å
489S94.4Very high95.7Very high69 Ų6940.7 Ų40.748%0.48321%0.205SC..Hα-helixtrans-67.2-32.3178.374.20000112.2D487D487-S489 PolarHBondContact O-N 3.4Å; D487-S489 VanDerWaalsContact O-N 3.12Å; D487-S489 WeakPolarHBondContact OD1-CA 3.38Å; D487-S489 WeakPolarHBondContact OD1-CB 3.12Å; D487-S489 PolarHBondContact OD1-N 2.89Å; D487-S489 PolarHBondContact OD1-OG 3.09Å
490V94.6Very high95.6Very high44 Ų4439.9 Ų39.927%0.26720%0.202SC..Hα-helixtrans-82-40.6176.1-177.20000110.3V465 V486 D487 P488 R492 K493V465-V490 HydrophobicContact CB-CG1 3.69Å; V465-V490 HydrophobicContact CG1-CG1 3.91Å; V465-V490 HydrophobicContact CG2-CG1 3.93Å; V486-V490 HydrophobicContact CG1-CB 3.95Å; V486-V490 HydrophobicContact CG1-CG1 3.98Å; D487-V490 HydrophobicContact CB-CG2 4.42Å; D487-V490 PolarHBondContact O-N 3.15Å; P488-V490 VanDerWaalsContact C-N 3.29Å; P488-V490 PolarHBondContact O-N 3.5Å; V490-R492 PolarHBondContact O-N 3.15Å; V490-R492 VanDerWaalsContact O-N 3.15Å; V490-K493 WeakPolarHBondContact O-CB 3.36Å; V490-K493 PolarHBondContact O-N 3.12Å
491L93.6Very high95.6Very high28 Ų2842.4 Ų42.415%0.14722%0.223CC..Hα-helixtrans-55.7-32.6178.3-75.1179.5000113.4Y408 L440 T484 V486 D487 P488 K493 V494Y408-L491 HydrophobicContact CD2-CD1 4.27Å; Y408-L491 HydrophobicContact CE1-CD1 4.23Å; Y408-L491 HydrophobicContact CE2-CD1 3.82Å; L440-L491 HydrophobicContact CD1-CD2 3.79Å; T484-L491 HydrophobicContact CG2-CD1 3.82Å; T484-L491 HydrophobicContact CG2-CD2 3.85Å; T484-L491 HydrophobicContact CG2-CG 4.43Å; V486-L491 HydrophobicContact CB-CD2 3.77Å; V486-L491 HydrophobicContact CB-CG 4.08Å; V486-L491 HydrophobicContact CG1-CD2 3.75Å; V486-L491 HydrophobicContact CG1-CG 3.89Å; V486-L491 VanDerWaalsContact O-CD1 3.3Å; V486-L491 WeakPolarHBondContact O-CD1 3.36Å; D487-L491 PolarHBondContact O-N 3.5Å; P488-L491 PolarHBondContact O-N 3.01Å; L491-K493 PolarHBondContact O-N 3.41Å; L491-K493 VanDerWaalsContact O-N 3.08Å; L491-V494 HydrophobicContact CD2-CG2 4.31Å; L491-V494 WeakPolarHBondContact O-CB 3.36Å; L491-V494 PolarHBondContact O-N 2.99Å
492R92.5Very high95.5Very high217 Ų21741 Ų4182%0.81922%0.217SC*.THydrogen-bonded Turntrans-59-19.8175.3-72.4172.5-172.9175.93.1114.1P488 V490P488-R492 WeakPolarHBondContact O-CG 3.49Å; P488-R492 PolarHBondContact O-N 2.86Å; V490-R492 PolarHBondContact O-N 3.15Å; V490-R492 VanDerWaalsContact O-N 3.15Å
493K93.6Very high95.3Very high141 Ų14144.8 Ų44.861%0.61325%0.245SC*.THydrogen-bonded Turntrans-88.4-17.5178-56176.8-175.6173.80112.4C442 V490 L491 N495C442-K493 PolarHBondContact SG-O 2.75Å; V490-K493 WeakPolarHBondContact O-CB 3.36Å; V490-K493 PolarHBondContact O-N 3.12Å; L491-K493 PolarHBondContact O-N 3.41Å; L491-K493 VanDerWaalsContact O-N 3.08Å; K493-N495 PolarHBondContact O-N 2.8Å
494V95.7Very high95.1Very high22 Ų2245.4 Ų45.413%0.13325%0.248CC..  trans-71.6123.5-177.9178.30000109.2L440 V465 L491 L497L440-V494 HydrophobicContact CB-CG1 4.09Å; L440-V494 HydrophobicContact CB-CG2 4.03Å; V465-V494 HydrophobicContact CG2-CG2 3.5Å; V465-V494 VanDerWaalsContact CG2-CG2 3.5Å; L491-V494 HydrophobicContact CD2-CG2 4.31Å; L491-V494 WeakPolarHBondContact O-CB 3.36Å; L491-V494 PolarHBondContact O-N 2.99Å; V494-L497 HydrophobicContact CG1-CD2 4.36Å
495N95.5Very high95Very high30 Ų3045.5 Ų45.516%0.1625%0.249CC..  trans-128.76.7175.565.14.4000111.7V415 A416 C441 L443 E445 V447 K493V415-N495 CarbonylContact C-O 3.53Å; V415-N495 VanDerWaalsContact CA-O 3.3Å; V415-N495 WeakPolarHBondContact CA-O 3.42Å; A416-N495 PolarHBondContact N-O 3.19Å; C441-N495 PolarHBondContact O-N 3.38Å; C441-N495 PolarHBondContact O-OD1 3.48Å; L443-N495 WeakPolarHBondContact CB-OD1 3.32Å; L443-N495 PolarHBondContact N-OD1 3.28Å; L443-N495 PolarHBondContact O-ND2 3.12Å; L443-N495 VanDerWaalsContact O-ND2 3.08Å; E445-N495 PolarHBondContact O-ND2 3.09Å; V447-N495 HydrophobicContact CG2-CB 3.98Å; V447-N495 VanDerWaalsContact CG2-O 3.25Å; V447-N495 WeakPolarHBondContact CG2-O 3.39Å; K493-N495 PolarHBondContact O-N 2.8Å
496C96.2Very high94.8Very high0 Ų047.6 Ų47.60%026%0.264CS..EExtended strand (participates in β ladder)trans-146.3137.4-178.3-178.30000111.6A416 C441 L443 L456 L498A416-C496 HydrophobicContact CB-CB 4.48Å; A416-C496 CarbonylContact O-C 3.6Å; A416-C496 WeakPolarHBondContact O-CA 3.37Å; C441-C496 HydrophobicContact CB-CB 4.06Å; C441-C496 PolarHBondContact N-O 3.32Å; C441-C496 PolarHBondContact O-N 3.19Å; C441-C496 VanDerWaalsContact O-N 3.08Å; L443-C496 HydrophobicContact CD1-CB 3.73Å; L443-C496 HydrophobicContact CD2-CB 4.38Å; L443-C496 HydrophobicContact CG-CB 3.66Å; L456-C496 VanDerWaalsContact CD1-SG 3.57Å; C496-L498 WeakPolarHBondContact SG-CD2 3.31Å
497L97Very high94.6Very high4 Ų447.2 Ų47.22%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-115.3121.2173.9-56.2-178.8000108.4V415 A416 L417 G418 V438 G439 L440 Y480 V494V415-L497 HydrophobicContact CG2-CD1 4Å; V415-L497 HydrophobicContact CG2-CG 4.15Å; A416-L497 PolarHBondContact O-N 3.26Å; L417-L497 WeakPolarHBondContact CA-O 3.48Å; L417-L497 HydrophobicContact CD1-CB 3.87Å; G418-L497 PolarHBondContact N-O 3.39Å; V438-L497 HydrophobicContact CG2-CB 4.47Å; V438-L497 HydrophobicContact CG2-CD2 4.35Å; G439-L497 WeakPolarHBondContact O-CA 3.48Å; L440-L497 HydrophobicContact CD2-CD2 3.36Å; Y480-L497 HydrophobicContact CD2-CD1 4.03Å; Y480-L497 HydrophobicContact CE2-CD1 4.46Å; V494-L497 HydrophobicContact CG1-CD2 4.36Å
498L96.6Very high94.6Very high6 Ų643.4 Ų43.43%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-114.2125.1-178.4-64.4-176.6000111.3Y245 G418 I420 V438 G439 C441 L456 C496Y245-L498 HydrophobicContact CD1-CB 4.2Å; Y245-L498 WeakPolarHBondContact CE1-O 3.48Å; G418-L498 CarbonylContact O-C 3.4Å; G418-L498 WeakPolarHBondContact O-CA 3.32Å; I420-L498 HydrophobicContact CD1-CB 4.37Å; I420-L498 HydrophobicContact CD1-CD1 4.48Å; I420-L498 HydrophobicContact CG2-CB 4.11Å; I420-L498 HydrophobicContact CG2-CD1 4.12Å; I420-L498 HydrophobicContact CG2-CD2 3.8Å; I420-L498 HydrophobicContact CG2-CG 4.23Å; V438-L498 CarbonylContact C-O 3.52Å; V438-L498 WeakPolarHBondContact CA-O 3.33Å; G439-L498 PolarHBondContact N-O 3.3Å; G439-L498 PolarHBondContact O-N 3.04Å; C441-L498 HydrophobicContact CB-CD1 4.25Å; C441-L498 HydrophobicContact CB-CG 4.41Å; L456-L498 HydrophobicContact CD1-CD2 4.06Å; C496-L498 WeakPolarHBondContact SG-CD2 3.31Å
499L96.8Very high94.4Very high11 Ų1143.3 Ų43.36%0.05824%0.237CC..EExtended strand (participates in β ladder)trans-92.5117.8172.817870.1000110.9G418 V419 I420 H421 A432 V433 L437G418-L499 PolarHBondContact O-N 3.25Å; V419-L499 HydrophobicContact CG1-CB 4.48Å; V419-L499 HydrophobicContact CG1-CD2 4.2Å; V419-L499 HydrophobicContact CG1-CG 4.49Å; V419-L499 HydrophobicContact CG2-CB 4.21Å; V419-L499 HydrophobicContact CG2-CD2 4.06Å; I420-L499 PolarHBondContact N-O 3.18Å; H421-L499 PolarHBondContact ND1-O 3.03Å; A432-L499 HydrophobicContact CB-CD2 4.29Å; A432-L499 WeakPolarHBondContact O-CD2 3.26Å; V433-L499 HydrophobicContact CB-CD2 4.49Å; V433-L499 HydrophobicContact CG1-CB 4Å; V433-L499 HydrophobicContact CG1-CD2 3.78Å; V433-L499 HydrophobicContact CG1-CG 4.41Å; L437-L499 WeakPolarHBondContact O-CD1 3.34Å
500G95.3Very high94.2Very high4 Ų443.2 Ų43.24%0.04123%0.234CC..  trans-98.5-176.7169.300000113.3Y245 G247 H421 I502Y245-G500 WeakPolarHBondContact OH-CA 3.23Å; Y245-G500 PolarHBondContact OH-N 3.22Å; G247-G500 CarbonylContact O-C 3.55Å; G247-G500 VanDerWaalsContact O-CA 3.28Å; G247-G500 WeakPolarHBondContact O-CA 3.44Å; H421-G500 PolarHBondContact CE1-O 3.25Å; H421-G500 PolarHBondContact ND1-O 3.28Å; G500-I502 VanDerWaalsContact C-N 3.25Å
501A95.3Very high93.9Very high53 Ų5343.8 Ų43.844%0.43823%0.234SC..SBendtrans-78.6-6.3172.800000113.3G247 Q248 H421 S503G247-A501 PolarHBondContact O-N 2.86Å; Q248-A501 HydrophobicContact CG-CB 4.06Å; H421-A501 HydrophobicContact CB-CB 3.8Å; H421-A501 VanDerWaalsContact CG-N 3.29Å; H421-A501 PolarHBondContact ND1-N 2.83Å; A501-S503 PolarHBondContact O-N 2.87Å
502I95.3Very high93.7Very high15 Ų1543.2 Ų43.28%0.07723%0.23CC..  trans-74.9106.6175-55.8-57.5000108.4P217 L384 L437 G500P217-I502 HydrophobicContact CB-CD1 4.23Å; P217-I502 HydrophobicContact CG-CD1 4.37Å; P217-I502 HydrophobicContact CG-CG2 3.87Å; L384-I502 HydrophobicContact CD1-CG2 3.88Å; L384-I502 HydrophobicContact CD2-CG2 4.25Å; L437-I502 HydrophobicContact CD2-CG2 4.05Å; G500-I502 VanDerWaalsContact C-N 3.25Å
503S93.6Very high93.4Very high90 Ų9037.3 Ų37.363%0.62922%0.22SC*.PPolyproline II helixtrans-79.1152.2-178.857.70000112.6L384 A501L384-S503 WeakPolarHBondContact CD1-O 3.46Å; A501-S503 PolarHBondContact O-N 2.87Å
504L94.4Very high92.8Very high21 Ų2133.9 Ų33.911%0.1123%0.225CC..PPolyproline II helixtrans-60.3136.8165.5-172.969.2000109.6L388 V469 S506 I508 L509L388-L504 HydrophobicContact CD1-CD1 3.87Å; V469-L504 HydrophobicContact CG1-CD1 4.49Å; V469-L504 HydrophobicContact CG1-CD2 4.04Å; V469-L504 HydrophobicContact CG2-CD1 3.76Å; L504-S506 PolarHBondContact O-N 3.06Å; L504-I508 HydrophobicContact CD1-CG1 4.38Å; L504-I508 HydrophobicContact CD2-CB 4.3Å; L504-I508 HydrophobicContact CD2-CG2 3.98Å; L504-I508 HydrophobicContact CG-CB 4.3Å; L504-I508 HydrophobicContact CG-CG1 4.43Å; L504-I508 HydrophobicContact CG-CG2 4.41Å; L504-L509 HydrophobicContact CD2-CD2 4.49Å
505P94.9Very high91.8Very high7 Ų737 Ų375%0.04524%0.237CC..PPolyproline II helixtrans-57.7132.7175.3-26.837.1000111.8E381 L384 L385 C507 I508E381-P505 HydrophobicContact CG-CB 3.94Å; E381-P505 HydrophobicContact CG-CG 4.21Å; L384-P505 HydrophobicContact CB-CG 3.76Å; L384-P505 HydrophobicContact CD1-CG 4.03Å; L385-P505 HydrophobicContact CD2-CB 4.19Å; L385-P505 HydrophobicContact CD2-CG 4.18Å; L385-P505 HydrophobicContact CG-CB 4.47Å; L385-P505 HydrophobicContact CG-CG 4.27Å; P505-C507 PolarHBondContact O-N 3.33Å; P505-I508 HydrophobicContact CB-CG1 4.28Å; P505-I508 WeakPolarHBondContact O-CB 3.48Å; P505-I508 PolarHBondContact O-N 3.3Å; P505-I508 VanDerWaalsContact O-N 3.12Å
506S91.8Very high90.4Very high77 Ų7745.4 Ų45.454%0.53828%0.275SS..THydrogen-bonded Turntrans-62.8-31.4-175.553.80000112.6L504 I508 L509 T510L504-S506 PolarHBondContact O-N 3.06Å; S506-I508 PolarHBondContact O-N 3.19Å; S506-I508 VanDerWaalsContact O-N 3.15Å; S506-L509 WeakPolarHBondContact O-CA 3.09Å; S506-L509 PolarHBondContact O-N 3.08Å; S506-T510 PolarHBondContact O-N 3Å; S506-T510 PolarHBondContact O-OG1 2.82Å
507C92.7Very high89.2Confident1 Ų149.9 Ų49.91%0.00731%0.307CS..Hα-helixtrans-59.3-25177.860.40000113.3F109 E381 P505 L509 T510 E511F109-C507 HydrophobicContact CD1-CB 3.87Å; F109-C507 HydrophobicContact CE1-CB 4.21Å; E381-C507 PolarHBondContact OE1-SG 3.42Å; P505-C507 PolarHBondContact O-N 3.33Å; C507-L509 VanDerWaalsContact C-N 3.25Å; C507-L509 PolarHBondContact O-N 2.94Å; C507-T510 WeakPolarHBondContact CA-OG1 3.07Å; C507-T510 PolarHBondContact O-N 3.37Å; C507-E511 HydrophobicContact CB-CG 4.32Å; C507-E511 WeakPolarHBondContact O-CB 3.31Å; C507-E511 PolarHBondContact O-N 3.14Å
508I93.1Very high88.1Confident10 Ų1058.4 Ų58.45%0.05135%0.346CS..Hα-helixtrans-62.6-35172-62.9-61.7000111.5F105 F109 L385 L388 L402 L504 P505 S506 Q512F105-I508 HydrophobicContact CZ-CD1 3.91Å; F109-I508 HydrophobicContact CE1-CD1 4.23Å; F109-I508 HydrophobicContact CZ-CD1 3.77Å; L385-I508 HydrophobicContact CD2-CD1 3.66Å; L385-I508 HydrophobicContact CD2-CG1 4.1Å; L388-I508 HydrophobicContact CD1-CD1 4.2Å; L388-I508 HydrophobicContact CD1-CG1 4.24Å; L402-I508 HydrophobicContact CD1-CD1 3.98Å; L402-I508 HydrophobicContact CD1-CG2 4.03Å; L504-I508 HydrophobicContact CD1-CG1 4.38Å; L504-I508 HydrophobicContact CD2-CB 4.3Å; L504-I508 HydrophobicContact CD2-CG2 3.98Å; L504-I508 HydrophobicContact CG-CB 4.3Å; L504-I508 HydrophobicContact CG-CG1 4.43Å; L504-I508 HydrophobicContact CG-CG2 4.41Å; P505-I508 HydrophobicContact CB-CG1 4.28Å; P505-I508 WeakPolarHBondContact O-CB 3.48Å; P505-I508 PolarHBondContact O-N 3.3Å; P505-I508 VanDerWaalsContact O-N 3.12Å; S506-I508 PolarHBondContact O-N 3.19Å; S506-I508 VanDerWaalsContact O-N 3.15Å; I508-Q512 WeakPolarHBondContact O-CG 3.25Å; I508-Q512 PolarHBondContact O-OE1 3.04Å
509L89.2Confident87.2Confident60 Ų6060.9 Ų60.931%0.31436%0.358SS..Hα-helixtrans-88.9-33179.5-59.6176.6000112.2L504 S506 C507 V522L504-L509 HydrophobicContact CD2-CD2 4.49Å; S506-L509 WeakPolarHBondContact O-CA 3.09Å; S506-L509 PolarHBondContact O-N 3.08Å; C507-L509 VanDerWaalsContact C-N 3.25Å; C507-L509 PolarHBondContact O-N 2.94Å; L509-V522 HydrophobicContact CB-CG2 4.17Å
510T89.6Confident86.5Confident67 Ų6764.8 Ų64.841%0.41138%0.384SS..Hα-helixtrans-102-23-167.8600000115.5S506 C507 V522S506-T510 PolarHBondContact O-N 3Å; S506-T510 PolarHBondContact O-OG1 2.82Å; C507-T510 WeakPolarHBondContact CA-OG1 3.07Å; C507-T510 PolarHBondContact O-N 3.37Å; T510-V522 HydrophobicContact CG2-CG1 4.22Å; T510-V522 HydrophobicContact CG2-CG2 3.93Å
511E90.2Very high85.9Confident56 Ų5671.5 Ų71.526%0.26241%0.41SS..SBendtrans-113.7-5.6-171.3-67.7-174.6-131.600114.2F109 T110 H111 C507F109-E511 HydrophobicContact CD1-CB 4.03Å; T110-E511 PolarHBondContact N-OE2 3.13Å; T110-E511 PolarHBondContact OG1-OE2 3.29Å; H111-E511 IonicContact CE1-OE1 3.38Å; H111-E511 PolarHBondContact CE1-OE1 3.4Å; H111-E511 IonicContact CG-OE1 3.94Å; H111-E511 IonicContact ND1-OE1 2.8Å; H111-E511 PolarHBondContact ND1-OE1 3.08Å; H111-E511 IonicContact ND1-OE2 3.41Å; H111-E511 PolarHBondContact ND1-OE2 3.33Å; C507-E511 HydrophobicContact CB-CG 4.32Å; C507-E511 WeakPolarHBondContact O-CB 3.31Å; C507-E511 PolarHBondContact O-N 3.14Å
512Q87.6Confident85.4Confident15 Ų1571.8 Ų71.87%0.0741%0.406CS..  trans-74.7131.2-179.5-74.2-165.9-1400112.2P401 H403 I508 F515P401-Q512 HydrophobicContact CB-CB 4.19Å; P401-Q512 HydrophobicContact CB-CG 4.46Å; H403-Q512 PolarHBondContact ND1-OE1 2.81Å; I508-Q512 WeakPolarHBondContact O-CG 3.25Å; I508-Q512 PolarHBondContact O-OE1 3.04Å; Q512-F515 HydrophobicContact CB-CE2 4.37Å
513P86.3Confident84.6Confident93 Ų9374.7 Ų74.760%0.60442%0.424SS*.SBendtrans-74.7160-179.631.9-36.4000111.9P401 H403P401-P513 HydrophobicContact CG-CG 3.92Å; P401-P513 WeakPolarHBondContact CG-O 3.49Å; H403-P513 PolarHBondContact CE1-O 3.29Å
514G81.8Confident83.6Confident70 Ų7074.9 Ų74.972%0.72243%0.431SS*.  trans101.212.9171.900000116
515F73.8Confident82.2Confident88 Ų8880.6 Ų80.639%0.38646%0.462SS..  trans-99.9128.7171.6-70.6-81.6000111.1H403 Q512 M519H403-F515 HydrophobicContact CB-CZ 3.87Å; H403-F515 AromaticContact CD2-CZ 3.87Å; H403-F515 AromaticContact CE1-CD2 3.78Å; H403-F515 AromaticContact CE1-CE2 3.24Å; H403-F515 WeakPolarHBondContact CE1-CE2 3.44Å; H403-F515 AromaticContact CE1-CZ 3.67Å; H403-F515 AromaticContact CG-CE2 3.81Å; H403-F515 AromaticContact CG-CZ 3.42Å; H403-F515 VanDerWaalsContact CG-CZ 3.42Å; H403-F515 AromaticContact ND1-CE2 3.2Å; H403-F515 WeakPolarHBondContact ND1-CE2 3.49Å; H403-F515 AromaticContact ND1-CZ 3.32Å; H403-F515 VanDerWaalsContact ND1-CZ 3.32Å; H403-F515 WeakPolarHBondContact ND1-CZ 3.47Å; H403-F515 AromaticContact NE2-CE2 3.92Å; Q512-F515 HydrophobicContact CB-CE2 4.37Å; F515-M519 HydrophobicContact CB-CE 3.46Å; F515-M519 VanDerWaalsContact CB-CE 3.46Å; F515-M519 HydrophobicContact CB-CG 4.43Å; F515-M519 HydrophobicContact CD1-CG 4.45Å; F515-M519 HydrophobicContact CD2-CE 3.77Å; F515-M519 HydrophobicContact CG-CE 3.78Å; F515-M519 HydrophobicContact CG-CG 4.33Å
516E66.6Low80.6Confident205 Ų20588.2 Ų88.296%0.95849%0.491SS*.  trans-111-1.1177.6-63.2-176.916800112.8
517S70.4Confident78.8Confident95 Ų9587.7 Ų87.766%0.66449%0.487SS*.SBendtrans-127.5171.5-170.11620000111.6M519S517-M519 PolarHBondContact O-N 3.42Å
518E74.4Confident77.2Confident182 Ų18297 Ų9785%0.8553%0.528SS*.PPolyproline II helixtrans-49.9130.9167.1-71.9-176178.300111
519M78.5Confident75.5Confident59 Ų59103.4 Ų103.429%0.29156%0.562SS.*PPolyproline II helixtrans-93.7120.4-179.9-69.6174.5-173.700109.2F515 S517 Y521 V522F515-M519 HydrophobicContact CB-CE 3.46Å; F515-M519 VanDerWaalsContact CB-CE 3.46Å; F515-M519 HydrophobicContact CB-CG 4.43Å; F515-M519 HydrophobicContact CD1-CG 4.45Å; F515-M519 HydrophobicContact CD2-CE 3.77Å; F515-M519 HydrophobicContact CG-CE 3.78Å; F515-M519 HydrophobicContact CG-CG 4.33Å; S517-M519 PolarHBondContact O-N 3.42Å; M519-Y521 PolarHBondContact O-N 3.37Å; M519-V522 HydrophobicContact CB-CB 3.99Å; M519-V522 HydrophobicContact CB-CG2 4.16Å; M519-V522 PolarHBondContact O-N 3.01Å
520P81.8Confident73.7Confident93 Ų93107.5 Ų107.560%0.60458%0.584SS**THydrogen-bonded Turntrans-54.4143172.8-24.233.8000110.9V522P520-V522 PolarHBondContact O-N 3.24Å; P520-V522 VanDerWaalsContact O-N 3.14Å
521Y83.8Confident71.7Confident145 Ų145111.4 Ų111.457%0.56961%0.608SS**THydrogen-bonded Turntrans68-0.6178.8-46-78.7000116.1N434 A435 M519N434-Y521 PolarHBondContact ND2-OH 3.47Å; A435-Y521 HydrophobicContact CB-CD2 3.84Å; A435-Y521 HydrophobicContact CB-CE2 3.46Å; A435-Y521 VanDerWaalsContact CB-CE2 3.46Å; M519-Y521 PolarHBondContact O-N 3.37Å
522V83.8Confident69.9Low59 Ų59111.9 Ų111.936%0.35863%0.627SS.*  trans-114.2124.9174-176.50000108.1L509 T510 M519 P520L509-V522 HydrophobicContact CB-CG2 4.17Å; T510-V522 HydrophobicContact CG2-CG1 4.22Å; T510-V522 HydrophobicContact CG2-CG2 3.93Å; M519-V522 HydrophobicContact CB-CB 3.99Å; M519-V522 HydrophobicContact CB-CG2 4.16Å; M519-V522 PolarHBondContact O-N 3.01Å; P520-V522 PolarHBondContact O-N 3.24Å; P520-V522 VanDerWaalsContact O-N 3.14Å
523T78.6Confident67.8Low76 Ų76116.9 Ų116.947%0.46667%0.671SS.*  trans-123.7133.1172.4-177.50000109.8D525T523-D525 PolarHBondContact OG1-N 3.48Å; T523-D525 PolarHBondContact OG1-O 3.15Å
524A71.9Confident65.8Low93 Ų93115.1 Ų115.177%0.76967%0.67SS**  trans-94-14.316500000111.6Y526A524-Y526 PolarHBondContact O-N 3.22Å
525D66.4Low63.6Low141 Ų141121.5 Ų121.575%0.75468%0.678SS**  trans-88.493-177.2-65.3-30.4000109.7T523T523-D525 PolarHBondContact OG1-N 3.48Å; T523-D525 PolarHBondContact OG1-O 3.15Å
526Y60.5Low62.1Low167 Ų167123.9 Ų123.966%0.65569%0.693SS**  trans-93.7111.4169.1-72.2-82.6000109.6A524A524-Y526 PolarHBondContact O-N 3.22Å
527S53.4Low60.9Low67 Ų67125.7 Ų125.747%0.46969%0.691SS.*  trans-83.1115.7159.4176.80000108.7D529S527-D529 PolarHBondContact O-N 3.05Å; S527-D529 PolarHBondContact OG-N 3.27Å
528F58.8Low59.4Low197 Ų197126.5 Ų126.586%0.86469%0.692SS**THydrogen-bonded Turntrans-72-2.7175.1-65.8-81.8000113.1
529D58Low57.9Low143 Ų143125.7 Ų125.777%0.76569%0.686SS**THydrogen-bonded Turntrans-91-3.2-179-61.3-40.9000113.3S527 T531S527-D529 PolarHBondContact O-N 3.05Å; S527-D529 PolarHBondContact OG-N 3.27Å; D529-T531 PolarHBondContact O-N 3.02Å
530L52.4Low56Low147 Ų147132.6 Ų132.677%0.7771%0.714SS**  trans-80.9105.2177.1-78.1161000111.3G532L530-G532 PolarHBondContact O-N 3.26Å
531T46.6Very low54.1Low149 Ų149130.5 Ų130.591%0.91471%0.71SS**  trans-85.995.9170.939.50000110.1D529D529-T531 PolarHBondContact O-N 3.02Å
532G53.3Low51.9Low65 Ų65131 Ų13167%0.6772%0.722SS**  trans-122.7155.8177.500000113.7L530 G534L530-G532 PolarHBondContact O-N 3.26Å; G532-G534 PolarHBondContact O-N 2.93Å
533A43.8Very low49.6Very low121 Ų121136.9 Ų136.9100%175%0.747SS**SBendtrans-77.163.4-17500000113.1
534G44.3Very low47.7Very low55 Ų55144 Ų14457%0.56777%0.766SS**  trans-159.782.7174.700000108.2G532 I536G532-G534 PolarHBondContact O-N 2.93Å; G534-I536 VanDerWaalsContact C-N 3.29Å; G534-I536 PolarHBondContact O-N 2.78Å
535K33.8Very low46.2Very low204 Ų204145.8 Ų145.889%0.88777%0.769SS**  trans-64.491.9179.6-159.3176.5-170.9174.40108.3R537K535-R537 PolarHBondContact O-N 3.03Å
536I43.8Very low44.9Very low139 Ų139146.9 Ų146.971%0.71377%0.772SS**  trans-53.1114.6168.9-66.8172.3000106.1G534 V538G534-I536 VanDerWaalsContact C-N 3.29Å; G534-I536 PolarHBondContact O-N 2.78Å; I536-V538 VanDerWaalsContact C-N 3.34Å; I536-V538 PolarHBondContact O-N 2.88Å
537R40.2Very low43.8Very low243 Ų243150.5 Ų150.592%0.91779%0.786SS**  trans-70.397.4172.1-83.8-172.9175.7-176.20.1107.5K535 F539K535-R537 PolarHBondContact O-N 3.03Å; R537-F539 PolarHBondContact O-N 2.94Å; R537-F539 VanDerWaalsContact O-N 3.15Å
538V40.5Very low42.9Very low111 Ų111156 Ų15667%0.67380%0.804SS**  trans-60113.8170.8179.40000108.8I536 K540I536-V538 VanDerWaalsContact C-N 3.34Å; I536-V538 PolarHBondContact O-N 2.88Å; V538-K540 HydrophobicContact CG1-CG 4.07Å; V538-K540 PolarHBondContact O-N 3.24Å
539F41.3Very low41.6Very low165 Ų165153.7 Ų153.772%0.72480%0.801SS**  trans-76.6101.3165.6-172.9-101.7000108.2R537 G541R537-F539 PolarHBondContact O-N 2.94Å; R537-F539 VanDerWaalsContact O-N 3.15Å; F539-G541 PolarHBondContact O-N 3.26Å
540K39.1Very low40.3Very low204 Ų204153.7 Ų153.789%0.88781%0.806SS**THydrogen-bonded Turntrans-74.231.6-179.9-66.6-173.8174.9-175.90113.8V538V538-K540 HydrophobicContact CG1-CG 4.07Å; V538-K540 PolarHBondContact O-N 3.24Å
541G41Very low39.2Very low50 Ų50155.1 Ų155.152%0.51581%0.808SS.*THydrogen-bonded Turntrans-102-3.6-174.400000115.6F539 M543F539-G541 PolarHBondContact O-N 3.26Å; G541-M543 PolarHBondContact O-N 3.37Å
542L39.3Very low38.6Very low156 Ų156157.3 Ų157.382%0.81781%0.806SS**  trans-95.788.4173.6-82.6158.2000109.4R544L542-R544 PolarHBondContact O-N 3.29Å
543M34.6Very low37.6Very low181 Ų181165.8 Ų165.889%0.89283%0.834SS**  trans-67.7113154.8-76.3-155.678.500107.4G541 P545G541-M543 PolarHBondContact O-N 3.37Å; M543-P545 WeakPolarHBondContact O-CD 3.48Å
544R38.4Very low37.3Very low227 Ų227168.1 Ų168.186%0.85783%0.826SS**  trans-70.5125.4169.8-73.3-179.7176171.5-2.1108.8L542 M546L542-R544 PolarHBondContact O-N 3.29Å; R544-M546 PolarHBondContact O-N 3.39Å
545P39.9Very low37Very low129 Ų129174 Ų17484%0.83884%0.84SS**SBendtrans-80.974.8169.332.3-30.5000109.3M543M543-P545 WeakPolarHBondContact O-CD 3.48Å
546M39.3Very low37.1Very low165 Ų165172.3 Ų172.381%0.81384%0.837SS**  trans-158.375.6163.4-91.1-154.9-86.500108.6R544R544-M546 PolarHBondContact O-N 3.39Å
547Y39.1Very low36.7Very low242 Ų242174.3 Ų174.395%0.94984%0.844SS**  trans-16865.7151.3-94.7-70.1000107
548Q33.3Very low36.5Very low183 Ų183170 Ų17086%0.85584%0.84SS**  trans-128.7126.2155.6-83.2-173.9-16.100106.9
549N31.7Very low36.3Very low148 Ų148173.9 Ų173.979%0.79185%0.851SS**  trans82.294.9174.7-56.4-19.4000117.2
550T29.7Very low35.9Very low143 Ų143174.6 Ų174.688%0.87786%0.86SS**  -149.697.2114.138.60000109
551H31.3Very low35.7Very low177 Ų177172.3 Ų172.382%0.81986%0.858SS**  trans-69.8127.1147.9-90-75.8000107.4
552F33.2Very low35.2Very low196 Ų196182.5 Ų182.586%0.8689%0.887SS**  trans-157.9119.1141-95.2-70.5000109.4
553L32.8Very low34.9Very low243 Ų243184.9 Ų184.9100%1.27289%0.893SS**  trans66.20166.9-67.2164000118.7

Retrieved 553 of 553 residues in 243.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).