A0A087WZ97_HUMAN Loading...

Divergent protein kinase domain 1A

AlphaFold DB , UniProt , Accession A0A087WZ97, Species HUMAN (Homo sapiens, Human), Gene DIPK1A, Length 403 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.8Low83.2Confident193 Ų193131.2 Ų131.295%0.95163%0.63SS**  0-58.30-65.6-53.9-90.700113.5Y3 L4 F5M1-Y3 PolarHBondContact O-N 3.06Å; M1-L4 PolarHBondContact O-N 2.86Å; M1-F5 PolarHBondContact O-N 3.1Å; M1-F5 VanDerWaalsContact O-N 3.16Å
2K72.9Confident83.7Confident168 Ų168129.3 Ų129.373%0.7362%0.618SS**Hα-helixtrans-57.3-45.7-178.6-68.8-176.5177.8-179.90114.4L4 F5 F6K2-L4 PolarHBondContact O-N 2.92Å; K2-F5 PolarHBondContact O-N 2.74Å; K2-F6 WeakPolarHBondContact O-CD2 3.31Å; K2-F6 PolarHBondContact O-N 3.35Å; K2-F6 VanDerWaalsContact O-N 3.15Å
3Y79.1Confident84Confident209 Ų209124.5 Ų124.582%0.8260%0.601SS**Hα-helixtrans-66.7-33.3178.9-67.2-77.3000114.2M1 F6 S7M1-Y3 PolarHBondContact O-N 3.06Å; Y3-F6 PolarHBondContact O-N 3.24Å; Y3-S7 WeakPolarHBondContact O-CB 3.36Å; Y3-S7 PolarHBondContact O-N 3.45Å
4L82.2Confident84Confident125 Ų125117.5 Ų117.565%0.65458%0.577SS**Hα-helixtrans-68.4-37.9175.6-72.6168.8000111.3M1 K2 S7 W8M1-L4 PolarHBondContact O-N 2.86Å; K2-L4 PolarHBondContact O-N 2.92Å; L4-S7 PolarHBondContact O-N 3.15Å; L4-W8 VanDerWaalsContact O-CB 3.29Å; L4-W8 WeakPolarHBondContact O-CB 3.07Å; L4-W8 PolarHBondContact O-N 3.22Å
5F86.2Confident84.2Confident120 Ų120114.5 Ų114.553%0.52657%0.573SS.*Hα-helixtrans-64.3-45.8174.9-179.8-98.9000111.9M1 K2 W8 L9M1-F5 PolarHBondContact O-N 3.1Å; M1-F5 VanDerWaalsContact O-N 3.16Å; K2-F5 PolarHBondContact O-N 2.74Å; F5-W8 PolarHBondContact O-N 2.94Å; F5-L9 HydrophobicContact CE1-CD1 4.36Å; F5-L9 HydrophobicContact CZ-CD1 4.24Å; F5-L9 WeakPolarHBondContact O-CB 3.14Å; F5-L9 PolarHBondContact O-N 3.03Å
6F86.1Confident84.3Confident126 Ų126117.4 Ų117.455%0.55358%0.575SS**Hα-helixtrans-64.7-40.9176-76.4-67.9000112.5K2 Y3 L9 V10K2-F6 WeakPolarHBondContact O-CD2 3.31Å; K2-F6 PolarHBondContact O-N 3.35Å; K2-F6 VanDerWaalsContact O-N 3.15Å; Y3-F6 PolarHBondContact O-N 3.24Å; F6-L9 PolarHBondContact O-N 2.97Å; F6-V10 VanDerWaalsContact O-CG2 3.29Å; F6-V10 WeakPolarHBondContact O-CG2 3.33Å; F6-V10 PolarHBondContact O-N 3.21Å
7S86.3Confident84.1Confident73 Ų73112.9 Ų112.951%0.5155%0.554SS.*Hα-helixtrans-62.6-43.1175.3-172.20000111.8Y3 L4 V10 V11Y3-S7 WeakPolarHBondContact O-CB 3.36Å; Y3-S7 PolarHBondContact O-N 3.45Å; L4-S7 PolarHBondContact O-N 3.15Å; S7-V10 PolarHBondContact O-N 3.03Å; S7-V11 WeakPolarHBondContact O-CG2 3.19Å; S7-V11 PolarHBondContact O-N 2.95Å; S7-V11 VanDerWaalsContact O-N 3.09Å
8W91.5Very high83.9Confident156 Ų156113.2 Ų113.259%0.59156%0.557SS**Hα-helixtrans-64.4-43.3176.7177.882.3000111.7L4 F5 V10 V11 F12L4-W8 VanDerWaalsContact O-CB 3.29Å; L4-W8 WeakPolarHBondContact O-CB 3.07Å; L4-W8 PolarHBondContact O-N 3.22Å; F5-W8 PolarHBondContact O-N 2.94Å; W8-V10 PolarHBondContact O-N 3.26Å; W8-V11 PolarHBondContact O-N 3.36Å; W8-F12 HydrophobicContact CZ2-CD2 4.45Å; W8-F12 WeakPolarHBondContact O-CB 3.32Å; W8-F12 PolarHBondContact O-N 3.43Å
9L89.3Confident83.6Confident70 Ų70115.5 Ų115.537%0.36656%0.56SS.*Hα-helixtrans-62.2-42.7177.4-167.1108.9000111.8F5 F6 F12 V13F5-L9 HydrophobicContact CE1-CD1 4.36Å; F5-L9 HydrophobicContact CZ-CD1 4.24Å; F5-L9 WeakPolarHBondContact O-CB 3.14Å; F5-L9 PolarHBondContact O-N 3.03Å; F6-L9 PolarHBondContact O-N 2.97Å; L9-F12 PolarHBondContact O-N 3.49Å; L9-V13 HydrophobicContact CG-CG2 4.32Å; L9-V13 WeakPolarHBondContact O-CB 3.49Å; L9-V13 VanDerWaalsContact O-CG2 3.24Å; L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 2.94Å
10V89.4Confident83.2Confident103 Ų103112.1 Ų112.162%0.62455%0.546SS*.Hα-helixtrans-63.6-43176.9169.30000111.3F6 S7 W8 G14F6-V10 VanDerWaalsContact O-CG2 3.29Å; F6-V10 WeakPolarHBondContact O-CG2 3.33Å; F6-V10 PolarHBondContact O-N 3.21Å; S7-V10 PolarHBondContact O-N 3.03Å; W8-V10 PolarHBondContact O-N 3.26Å; V10-G14 WeakPolarHBondContact O-CA 3.39Å; V10-G14 PolarHBondContact O-N 3.29Å
11V90.4Very high82.8Confident100 Ų100112 Ų11261%0.60654%0.544SS*.Hα-helixtrans-66.1-42.5176.7173.20000111.1S7 W8 S15S7-V11 WeakPolarHBondContact O-CG2 3.19Å; S7-V11 PolarHBondContact O-N 2.95Å; S7-V11 VanDerWaalsContact O-N 3.09Å; W8-V11 PolarHBondContact O-N 3.36Å; V11-S15 VanDerWaalsContact O-CB 3.23Å; V11-S15 WeakPolarHBondContact O-CB 3.49Å; V11-S15 PolarHBondContact O-N 3.47Å
12F89.7Confident83.4Confident109 Ų109110.2 Ų110.248%0.47853%0.528SS..Hα-helixtrans-64.6-50.3179.1-176.4-97.7000111.8W8 L9 S15 W16W8-F12 HydrophobicContact CZ2-CD2 4.45Å; W8-F12 WeakPolarHBondContact O-CB 3.32Å; W8-F12 PolarHBondContact O-N 3.43Å; L9-F12 PolarHBondContact O-N 3.49Å; F12-S15 PolarHBondContact O-N 3.07Å; F12-W16 HydrophobicContact CE1-CE3 4.5Å; F12-W16 HydrophobicContact CZ-CE3 4.24Å; F12-W16 WeakPolarHBondContact O-CB 3.33Å; F12-W16 PolarHBondContact O-N 2.97Å
13V86.7Confident83.3Confident67 Ų67104 Ų10441%0.40651%0.506SS..Hα-helixtrans-64.9-42177.6174.10000110.6L9 W16 I17L9-V13 HydrophobicContact CG-CG2 4.32Å; L9-V13 WeakPolarHBondContact O-CB 3.49Å; L9-V13 VanDerWaalsContact O-CG2 3.24Å; L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 2.94Å; V13-W16 PolarHBondContact O-N 2.9Å; V13-I17 HydrophobicContact CG1-CD1 3.78Å; V13-I17 HydrophobicContact CG1-CG1 4.37Å; V13-I17 WeakPolarHBondContact O-CB 3.38Å; V13-I17 VanDerWaalsContact O-CG1 3.24Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 3.39Å
14G84.4Confident82.8Confident26 Ų2697.2 Ų97.227%0.26849%0.486SS..Hα-helixtrans-60.9-45.5175.700000112.4V10 W16 I17 I18V10-G14 WeakPolarHBondContact O-CA 3.39Å; V10-G14 PolarHBondContact O-N 3.29Å; G14-W16 VanDerWaalsContact C-N 3.35Å; G14-W16 PolarHBondContact O-N 3.29Å; G14-I17 PolarHBondContact O-N 2.98Å; G14-I18 VanDerWaalsContact O-CG1 3.28Å; G14-I18 WeakPolarHBondContact O-CG1 3.4Å; G14-I18 PolarHBondContact O-N 2.82Å
15S86.9Confident82.3Confident73 Ų7397.5 Ų97.551%0.5148%0.48SS..Hα-helixtrans-64.5-38.9175.7-171.60000112V11 F12 I18 Y19V11-S15 VanDerWaalsContact O-CB 3.23Å; V11-S15 WeakPolarHBondContact O-CB 3.49Å; V11-S15 PolarHBondContact O-N 3.47Å; F12-S15 PolarHBondContact O-N 3.07Å; S15-I18 PolarHBondContact O-N 3.26Å; S15-Y19 VanDerWaalsContact O-CB 3.28Å; S15-Y19 WeakPolarHBondContact O-CB 3.47Å; S15-Y19 PolarHBondContact O-N 2.79Å
16W85.6Confident81.5Confident160 Ų16094.7 Ų94.761%0.60647%0.472SS*.Hα-helixtrans-64.9-43.9175.9-171-77.4000111.5F12 V13 G14 Y19 V20F12-W16 HydrophobicContact CE1-CE3 4.5Å; F12-W16 HydrophobicContact CZ-CE3 4.24Å; F12-W16 WeakPolarHBondContact O-CB 3.33Å; F12-W16 PolarHBondContact O-N 2.97Å; V13-W16 PolarHBondContact O-N 2.9Å; G14-W16 VanDerWaalsContact C-N 3.35Å; G14-W16 PolarHBondContact O-N 3.29Å; W16-Y19 PolarHBondContact O-N 2.93Å; W16-V20 WeakPolarHBondContact O-CB 3.39Å; W16-V20 VanDerWaalsContact O-CG2 3.31Å; W16-V20 WeakPolarHBondContact O-CG2 3.22Å; W16-V20 PolarHBondContact O-N 2.78Å
17I80.5Confident80.8Confident41 Ų4194.4 Ų94.421%0.2147%0.473CS..Hα-helixtrans-61-46.7176.6-70.5166.2000110.6V13 G14 Y19 V20 Q21 W218 V219V13-I17 HydrophobicContact CG1-CD1 3.78Å; V13-I17 HydrophobicContact CG1-CG1 4.37Å; V13-I17 WeakPolarHBondContact O-CB 3.38Å; V13-I17 VanDerWaalsContact O-CG1 3.24Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 3.39Å; G14-I17 PolarHBondContact O-N 2.98Å; I17-Y19 VanDerWaalsContact C-N 3.34Å; I17-Y19 PolarHBondContact O-N 3.07Å; I17-V20 PolarHBondContact O-N 3.44Å; I17-Q21 VanDerWaalsContact O-CB 3.24Å; I17-Q21 WeakPolarHBondContact O-CB 3.49Å; I17-Q21 PolarHBondContact O-N 3.23Å; I17-W218 HydrophobicContact CG1-CH2 4.21Å; I17-W218 HydrophobicContact CG1-CZ2 4.24Å; I17-W218 HydrophobicContact CG2-CZ2 4.12Å; I17-V219 HydrophobicContact CG2-CG2 3.98Å
18I80.6Confident80.3Confident119 Ų11992.9 Ų92.961%0.6146%0.459SS*.Hα-helixtrans-62.2-44.4177.7-68165.9000110.4G14 S15 Q21 Y22G14-I18 VanDerWaalsContact O-CG1 3.28Å; G14-I18 WeakPolarHBondContact O-CG1 3.4Å; G14-I18 PolarHBondContact O-N 2.82Å; S15-I18 PolarHBondContact O-N 3.26Å; I18-Q21 PolarHBondContact O-N 3.01Å; I18-Y22 VanDerWaalsContact O-CB 3.23Å; I18-Y22 WeakPolarHBondContact O-CB 3.26Å; I18-Y22 PolarHBondContact O-N 2.79Å
19Y79.4Confident80Confident156 Ų15686.8 Ų86.861%0.61244%0.44SS*.Hα-helixtrans-61.5-49178.2177.5-96.1000111.9S15 W16 I17 Y22 S23S15-Y19 VanDerWaalsContact O-CB 3.28Å; S15-Y19 WeakPolarHBondContact O-CB 3.47Å; S15-Y19 PolarHBondContact O-N 2.79Å; W16-Y19 PolarHBondContact O-N 2.93Å; I17-Y19 VanDerWaalsContact C-N 3.34Å; I17-Y19 PolarHBondContact O-N 3.07Å; Y19-Y22 PolarHBondContact O-N 3.31Å; Y19-S23 WeakPolarHBondContact O-CB 3.3Å; Y19-S23 PolarHBondContact O-N 2.96Å
20V75.8Confident79.9Confident48 Ų4888.6 Ų88.629%0.29144%0.442SS..Hα-helixtrans-62-47178170.70000110.4W16 I17 Y22 S23 T24W16-V20 WeakPolarHBondContact O-CB 3.39Å; W16-V20 VanDerWaalsContact O-CG2 3.31Å; W16-V20 WeakPolarHBondContact O-CG2 3.22Å; W16-V20 PolarHBondContact O-N 2.78Å; I17-V20 PolarHBondContact O-N 3.44Å; V20-Y22 VanDerWaalsContact C-N 3.32Å; V20-Y22 PolarHBondContact O-N 3.03Å; V20-S23 PolarHBondContact O-N 2.9Å; V20-T24 WeakPolarHBondContact O-CB 3.05Å; V20-T24 PolarHBondContact O-N 2.93Å; V20-T24 PolarHBondContact O-OG1 3.17Å
21Q73.1Confident79.6Confident109 Ų10983.9 Ų83.951%0.50941%0.414SS..Hα-helixtrans-62.3-40.1179.2-174.5173.8-800112.1I17 I18 Y25I17-Q21 VanDerWaalsContact O-CB 3.24Å; I17-Q21 WeakPolarHBondContact O-CB 3.49Å; I17-Q21 PolarHBondContact O-N 3.23Å; I18-Q21 PolarHBondContact O-N 3.01Å; Q21-Y25 VanDerWaalsContact O-CB 3.23Å; Q21-Y25 WeakPolarHBondContact O-CB 3.4Å; Q21-Y25 PolarHBondContact O-N 3.23Å
22Y75.1Confident79.5Confident156 Ų15688 Ų8861%0.61242%0.424SS*.Hα-helixtrans-65.7-47.3175.1-176.8-97.5000111.5I18 Y19 V20 T24 Y25 T26I18-Y22 VanDerWaalsContact O-CB 3.23Å; I18-Y22 WeakPolarHBondContact O-CB 3.26Å; I18-Y22 PolarHBondContact O-N 2.79Å; Y19-Y22 PolarHBondContact O-N 3.31Å; V20-Y22 VanDerWaalsContact C-N 3.32Å; V20-Y22 PolarHBondContact O-N 3.03Å; Y22-T24 PolarHBondContact O-N 3.41Å; Y22-Y25 PolarHBondContact O-N 3.18Å; Y22-T26 HydrophobicContact CD1-CG2 4.14Å; Y22-T26 HydrophobicContact CE1-CG2 3.73Å; Y22-T26 HydrophobicContact CE2-CG2 4.24Å; Y22-T26 WeakPolarHBondContact O-CG2 3.43Å; Y22-T26 PolarHBondContact O-N 2.04Å; Y22-T26 PolarHBondContact O-OG1 3.5Å
23S70.3Confident79.4Confident37 Ų3785.9 Ų85.926%0.25942%0.417SS..Hα-helixtrans-58.4-50.2177.7-167.90000111.4Y19 V20 Y25 T26 E27Y19-S23 WeakPolarHBondContact O-CB 3.3Å; Y19-S23 PolarHBondContact O-N 2.96Å; V20-S23 PolarHBondContact O-N 2.9Å; S23-Y25 VanDerWaalsContact C-N 3.32Å; S23-Y25 PolarHBondContact O-N 3.42Å; S23-T26 WeakPolarHBondContact CA-OG1 3.44Å; S23-T26 PolarHBondContact O-N 3.15Å; S23-T26 PolarHBondContact O-OG1 3.34Å; S23-E27 PolarHBondContact O-N 3.43Å
24T68.6Low79.5Confident67 Ų6782.7 Ų82.741%0.41140%0.398SS..Hα-helixtrans-61.9-39.6177.7-54.20000111.4V20 Y22 E27 L28V20-T24 WeakPolarHBondContact O-CB 3.05Å; V20-T24 PolarHBondContact O-N 2.93Å; V20-T24 PolarHBondContact O-OG1 3.17Å; Y22-T24 PolarHBondContact O-N 3.41Å; T24-E27 PolarHBondContact O-N 3.13Å; T24-L28 HydrophobicContact CG2-CD1 3.75Å; T24-L28 HydrophobicContact CG2-CG 4.36Å; T24-L28 WeakPolarHBondContact O-CB 3.32Å; T24-L28 VanDerWaalsContact O-CG 3.22Å; T24-L28 WeakPolarHBondContact O-CG 3.32Å; T24-L28 PolarHBondContact O-N 2.97Å
25Y71.9Confident79.9Confident131 Ų13184 Ų8451%0.51440%0.397SS..Hα-helixtrans-64.3-43.2175.1-175.4-92.5000112.1Q21 Y22 S23 E27 L28 C29 C66Q21-Y25 VanDerWaalsContact O-CB 3.23Å; Q21-Y25 WeakPolarHBondContact O-CB 3.4Å; Q21-Y25 PolarHBondContact O-N 3.23Å; Y22-Y25 PolarHBondContact O-N 3.18Å; S23-Y25 VanDerWaalsContact C-N 3.32Å; S23-Y25 PolarHBondContact O-N 3.42Å; Y25-E27 VanDerWaalsContact C-N 3.32Å; Y25-E27 PolarHBondContact O-N 2.9Å; Y25-L28 PolarHBondContact O-N 3.43Å; Y25-C29 HydrophobicContact CD1-CB 4.41Å; Y25-C29 HydrophobicContact CE1-CB 4.1Å; Y25-C29 HydrophobicContact CE2-CB 4.44Å; Y25-C29 VanDerWaalsContact CE2-SG 3.54Å; Y25-C29 VanDerWaalsContact O-CB 3.24Å; Y25-C29 WeakPolarHBondContact O-CB 3.44Å; Y25-C29 PolarHBondContact O-N 3.21Å; Y25-C66 HydrophobicContact CE2-CB 4.21Å
26T70.4Confident80.1Confident61 Ų6188.1 Ų88.137%0.37441%0.405SS..Hα-helixtrans-66.2-32.8179.251.50000113.2Y22 S23Y22-T26 HydrophobicContact CD1-CG2 4.14Å; Y22-T26 HydrophobicContact CE1-CG2 3.73Å; Y22-T26 HydrophobicContact CE2-CG2 4.24Å; Y22-T26 WeakPolarHBondContact O-CG2 3.43Å; Y22-T26 PolarHBondContact O-N 2.04Å; Y22-T26 PolarHBondContact O-OG1 3.5Å; S23-T26 WeakPolarHBondContact CA-OG1 3.44Å; S23-T26 PolarHBondContact O-N 3.15Å; S23-T26 PolarHBondContact O-OG1 3.34Å
27E70.4Confident80.3Confident121 Ų12184.2 Ų84.257%0.56540%0.396SS*.Hα-helixtrans-74.3-38.5174.3-72-176.1173.800112.4S23 T24 Y25S23-E27 PolarHBondContact O-N 3.43Å; T24-E27 PolarHBondContact O-N 3.13Å; Y25-E27 VanDerWaalsContact C-N 3.32Å; Y25-E27 PolarHBondContact O-N 2.9Å
28L77.3Confident80.9Confident40 Ų4082.4 Ų82.421%0.20939%0.386CS..Hα-helixtrans-76.2-28.8-179.3-72.8172.8000113.1T24 Y25 S68 Q74T24-L28 HydrophobicContact CG2-CD1 3.75Å; T24-L28 HydrophobicContact CG2-CG 4.36Å; T24-L28 WeakPolarHBondContact O-CB 3.32Å; T24-L28 VanDerWaalsContact O-CG 3.22Å; T24-L28 WeakPolarHBondContact O-CG 3.32Å; T24-L28 PolarHBondContact O-N 2.97Å; Y25-L28 PolarHBondContact O-N 3.43Å; L28-S68 WeakPolarHBondContact O-CB 3.35Å; L28-S68 PolarHBondContact O-OG 2.86Å; L28-Q74 VanDerWaalsContact O-CD 3.27Å; L28-Q74 PolarHBondContact O-NE2 2.93Å; L28-Q74 PolarHBondContact O-OE1 2.98Å
29C85.1Confident81.6Confident28 Ų2877.3 Ų77.319%0.18936%0.361CS..  trans-115.472-168.2-58.50000112.9Y25 C66 Y76Y25-C29 HydrophobicContact CD1-CB 4.41Å; Y25-C29 HydrophobicContact CE1-CB 4.1Å; Y25-C29 HydrophobicContact CE2-CB 4.44Å; Y25-C29 VanDerWaalsContact CE2-SG 3.54Å; Y25-C29 VanDerWaalsContact O-CB 3.24Å; Y25-C29 WeakPolarHBondContact O-CB 3.44Å; Y25-C29 PolarHBondContact O-N 3.21Å; C29-C66 VanDerWaalsContact CA-SG 3.6Å; C29-C66 HydrophobicContact CB-CB 3.74Å; C29-C66 WeakPolarHBondContact CB-SG 3.13Å; C29-C66 WeakPolarHBondContact SG-CB 3.45Å; C29-C66 CovalentContact SG-SG 2.03Å; C29-C66 PolarHBondContact SG-SG 3.32Å; C29-Y76 WeakPolarHBondContact CA-OH 3.49Å
30R85.8Confident82.2Confident108 Ų10875 Ų7541%0.40836%0.359SS..  trans-100.137.3-178.5-62.2-178.461.6-165.8-2.2114.2K32 D33 C34 Y76 M91R30-K32 VanDerWaalsContact C-N 3.28Å; R30-K32 PolarHBondContact O-N 3.19Å; R30-D33 HydrophobicContact CB-CB 4.38Å; R30-D33 IonicContact CZ-OD2 3.79Å; R30-D33 VanDerWaalsContact CZ-OD2 3.29Å; R30-D33 IonicContact NE-OD2 3.88Å; R30-D33 PolarHBondContact NE-OD2 2.81Å; R30-D33 IonicContact NH2-OD2 3.18Å; R30-D33 PolarHBondContact NH2-OD2 3.41Å; R30-D33 WeakPolarHBondContact O-CB 3.49Å; R30-D33 PolarHBondContact O-N 2.85Å; R30-D33 VanDerWaalsContact O-N 3.11Å; R30-C34 PolarHBondContact O-N 2.79Å; R30-C34 VanDerWaalsContact O-N 3.11Å; R30-Y76 PolarHBondContact N-OH 2.8Å; R30-M91 HydrophobicContact CB-CE 4.31Å
31G84.6Confident83Confident5 Ų574.8 Ų74.85%0.05235%0.354CS..Hα-helixtrans-63.1-31.6-174.100000113.8C34 K35 Y76G31-C34 PolarHBondContact O-N 3.42Å; G31-K35 PolarHBondContact O-N 3.48Å; G31-Y76 VanDerWaalsContact CA-CZ 3.47Å; G31-Y76 WeakPolarHBondContact CA-OH 3.39Å; G31-Y76 PolarHBondContact N-OH 3Å
32K87.4Confident84Confident187 Ų18772 Ų7281%0.81334%0.34SS*.Hα-helixtrans-65.6-40.2174.6-66.7-175.7-179.4179.30112.2R30 K36R30-K32 VanDerWaalsContact C-N 3.28Å; R30-K32 PolarHBondContact O-N 3.19Å; K32-K36 WeakPolarHBondContact O-CB 3.41Å; K32-K36 PolarHBondContact O-N 3.47Å
33D87.9Confident85Confident63 Ų6371.9 Ų71.934%0.33734%0.342SS..Hα-helixtrans-66.3-45.8176.9-65-16.1000110R30 K36 I37 M91R30-D33 HydrophobicContact CB-CB 4.38Å; R30-D33 IonicContact CZ-OD2 3.79Å; R30-D33 VanDerWaalsContact CZ-OD2 3.29Å; R30-D33 IonicContact NE-OD2 3.88Å; R30-D33 PolarHBondContact NE-OD2 2.81Å; R30-D33 IonicContact NH2-OD2 3.18Å; R30-D33 PolarHBondContact NH2-OD2 3.41Å; R30-D33 WeakPolarHBondContact O-CB 3.49Å; R30-D33 PolarHBondContact O-N 2.85Å; R30-D33 VanDerWaalsContact O-N 3.11Å; D33-K36 PolarHBondContact O-N 3.42Å; D33-I37 VanDerWaalsContact O-CG1 3.31Å; D33-I37 WeakPolarHBondContact O-CG1 3.42Å; D33-I37 PolarHBondContact O-N 3.49Å; D33-M91 HydrophobicContact CB-CE 3.77Å
34C88.6Confident86Confident1 Ų174.3 Ų74.31%0.00736%0.356CS..Hα-helixtrans-54.7-55.3173.9166.60000111.3R30 G31 K36 I37 I38 C89 M91R30-C34 PolarHBondContact O-N 2.79Å; R30-C34 VanDerWaalsContact O-N 3.11Å; G31-C34 PolarHBondContact O-N 3.42Å; C34-K36 VanDerWaalsContact C-N 3.26Å; C34-K36 PolarHBondContact O-N 2.9Å; C34-I37 PolarHBondContact O-N 3.36Å; C34-I38 WeakPolarHBondContact O-CG1 3Å; C34-I38 PolarHBondContact O-N 2.03Å; C34-C89 HydrophobicContact CB-CB 4.06Å; C34-C89 WeakPolarHBondContact CB-SG 3.34Å; C34-C89 WeakPolarHBondContact SG-CB 3.38Å; C34-C89 CovalentContact SG-SG 2.01Å; C34-C89 PolarHBondContact SG-SG 3.42Å; C34-M91 HydrophobicContact CB-SD 3.73Å
35K92.1Very high87.1Confident53 Ų5373.7 Ų73.723%0.2336%0.363CS..Hα-helixtrans-54.9-43.9178.4176.8174.6170.8175.80110.9G31 C39 L55 E59 F63G31-K35 PolarHBondContact O-N 3.48Å; K35-C39 VanDerWaalsContact O-CB 3.24Å; K35-C39 WeakPolarHBondContact O-CB 3.24Å; K35-C39 PolarHBondContact O-N 2.95Å; K35-C39 PolarHBondContact O-SG 3.45Å; K35-L55 HydrophobicContact CD-CD1 4.26Å; K35-L55 WeakPolarHBondContact CE-O 3.46Å; K35-L55 HydrophobicContact CG-CD1 4.13Å; K35-L55 HydrophobicContact CG-CG 4.46Å; K35-L55 PolarHBondContact NZ-O 3.01Å; K35-E59 IonicContact NZ-OE1 3.83Å; K35-E59 PolarHBondContact NZ-OE1 3.3Å; K35-F63 HydrophobicContact CB-CZ 4.29Å
36K91.8Very high88Confident160 Ų16069.4 Ų69.470%0.69635%0.35SS*.Hα-helixtrans-62-47.7180-174.6-179.7177.2-175.80112.1K32 D33 C34 C39 D40K32-K36 WeakPolarHBondContact O-CB 3.41Å; K32-K36 PolarHBondContact O-N 3.47Å; D33-K36 PolarHBondContact O-N 3.42Å; C34-K36 VanDerWaalsContact C-N 3.26Å; C34-K36 PolarHBondContact O-N 2.9Å; K36-C39 PolarHBondContact O-N 2.7Å; K36-D40 WeakPolarHBondContact O-CB 3.2Å; K36-D40 PolarHBondContact O-N 2.97Å
37I90.4Very high89.1Confident78 Ų7866.6 Ų66.640%0.433%0.332SS..Hα-helixtrans-63.6-47.1-179.1-67.6165.2000110.7D33 C34 D40 K41 M91D33-I37 VanDerWaalsContact O-CG1 3.31Å; D33-I37 WeakPolarHBondContact O-CG1 3.42Å; D33-I37 PolarHBondContact O-N 3.49Å; C34-I37 PolarHBondContact O-N 3.36Å; I37-D40 PolarHBondContact O-N 3.44Å; I37-K41 HydrophobicContact CG2-CD 4.38Å; I37-K41 WeakPolarHBondContact O-CG 3.02Å; I37-K41 PolarHBondContact O-N 3.29Å; I37-K41 VanDerWaalsContact O-N 3.15Å; I37-M91 HydrophobicContact CD1-CE 4.31Å
38I92.4Very high90.3Very high3 Ų363.2 Ų63.22%0.01532%0.318CS..Hα-helixtrans-62.7-48.1178.8-63.2-62.8000110.3C34 D40 K41 Y42 I47 L55 C197 D199 L200C34-I38 WeakPolarHBondContact O-CG1 3Å; C34-I38 PolarHBondContact O-N 2.03Å; I38-D40 VanDerWaalsContact C-N 3.31Å; I38-D40 PolarHBondContact O-N 2.83Å; I38-K41 PolarHBondContact O-N 2.97Å; I38-Y42 PolarHBondContact O-N 3Å; I38-I47 HydrophobicContact CG2-CD1 3.78Å; I38-I47 WeakPolarHBondContact O-CD1 3.24Å; I38-L55 HydrophobicContact CB-CD2 4.38Å; I38-L55 HydrophobicContact CG2-CD2 3.7Å; I38-C197 HydrophobicContact CG2-CB 4.13Å; I38-C197 WeakPolarHBondContact CG2-SG 3.47Å; I38-D199 WeakPolarHBondContact CD1-OD1 3.26Å; I38-L200 HydrophobicContact CD1-CB 4.29Å; I38-L200 HydrophobicContact CG1-CB 4.21Å; I38-L200 HydrophobicContact CG1-CD1 4.45Å
39C94.3Very high91.2Very high11 Ų1161.6 Ų61.67%0.07431%0.311CS..Hα-helixtrans-67.3-29.7-178.8-67.30000114.1K35 K36 K43 C56K35-C39 VanDerWaalsContact O-CB 3.24Å; K35-C39 WeakPolarHBondContact O-CB 3.24Å; K35-C39 PolarHBondContact O-N 2.95Å; K35-C39 PolarHBondContact O-SG 3.45Å; K36-C39 PolarHBondContact O-N 2.7Å; C39-K43 WeakPolarHBondContact O-CB 3.37Å; C39-K43 VanDerWaalsContact O-CG 3.22Å; C39-K43 WeakPolarHBondContact O-CG 3.39Å; C39-K43 PolarHBondContact O-N 3.15Å; C39-C56 WeakPolarHBondContact CA-SG 3.19Å; C39-C56 HydrophobicContact CB-CB 3.69Å; C39-C56 WeakPolarHBondContact CB-SG 3.38Å; C39-C56 WeakPolarHBondContact SG-CA 3.33Å; C39-C56 WeakPolarHBondContact SG-CB 3.39Å; C39-C56 CovalentContact SG-SG 2.04Å; C39-C56 PolarHBondContact SG-SG 3.01Å
40D94Very high91.6Very high107 Ų10762.6 Ų62.657%0.57232%0.317SS*.Hα-helixtrans-66.8-44.9172.9-16857.6000111.4K36 I37 I38 Y42 K43 T44K36-D40 WeakPolarHBondContact O-CB 3.2Å; K36-D40 PolarHBondContact O-N 2.97Å; I37-D40 PolarHBondContact O-N 3.44Å; I38-D40 VanDerWaalsContact C-N 3.31Å; I38-D40 PolarHBondContact O-N 2.83Å; D40-Y42 VanDerWaalsContact C-N 3.32Å; D40-Y42 PolarHBondContact O-N 3.49Å; D40-K43 PolarHBondContact O-N 3.38Å; D40-T44 WeakPolarHBondContact O-CG2 3.39Å; D40-T44 PolarHBondContact O-N 3.18Å; D40-T44 VanDerWaalsContact O-N 3.13Å; D40-T44 PolarHBondContact O-OG1 3.31Å
41K91.9Very high92.1Very high44 Ų4457.5 Ų57.519%0.19130%0.298CS..Hα-helixtrans-62.9-36.8174.3-69.4178.7-179.8176.40112.1I37 I38 T44 G45 V46 I47 E92 F112I37-K41 HydrophobicContact CG2-CD 4.38Å; I37-K41 WeakPolarHBondContact O-CG 3.02Å; I37-K41 PolarHBondContact O-N 3.29Å; I37-K41 VanDerWaalsContact O-N 3.15Å; I38-K41 PolarHBondContact O-N 2.97Å; K41-T44 WeakPolarHBondContact CA-OG1 3.45Å; K41-T44 PolarHBondContact O-OG1 2.81Å; K41-G45 PolarHBondContact O-N 3.34Å; K41-V46 HydrophobicContact CB-CB 4.41Å; K41-V46 WeakPolarHBondContact O-CB 3.45Å; K41-V46 PolarHBondContact O-N 3.33Å; K41-I47 HydrophobicContact CB-CD1 3.77Å; K41-I47 HydrophobicContact CB-CG1 3.81Å; K41-I47 HydrophobicContact CB-CG2 4.21Å; K41-E92 IonicContact NZ-OE1 2.72Å; K41-E92 PolarHBondContact NZ-OE1 3.22Å; K41-F112 HydrophobicContact CD-CD2 3.69Å; K41-F112 HydrophobicContact CD-CE2 3.68Å; K41-F112 VanDerWaalsContact NZ-CE2 3.31Å
42Y94.6Very high92.6Very high52 Ų5257.2 Ų57.220%0.20430%0.296CS..Hα-helixtrans-68.8-47.9176.8176-118.1000111.8I38 D40 T44 G45 D48 C52 C56 V57I38-Y42 PolarHBondContact O-N 3Å; D40-Y42 VanDerWaalsContact C-N 3.32Å; D40-Y42 PolarHBondContact O-N 3.49Å; Y42-T44 PolarHBondContact O-N 2.98Å; Y42-G45 PolarHBondContact O-N 2.7Å; Y42-D48 WeakPolarHBondContact CE2-OD1 3.43Å; Y42-C52 HydrophobicContact CD1-CB 4.09Å; Y42-C52 HydrophobicContact CD2-CB 3.42Å; Y42-C52 VanDerWaalsContact CD2-CB 3.42Å; Y42-C52 HydrophobicContact CE1-CB 4.04Å; Y42-C52 HydrophobicContact CE2-CB 3.37Å; Y42-C52 HydrophobicContact CG-CB 3.79Å; Y42-C56 HydrophobicContact CD1-CB 3.8Å; Y42-C56 HydrophobicContact CE1-CB 4.35Å; Y42-V57 HydrophobicContact CE1-CG2 3.98Å
43K94.8Very high93Very high153 Ų15351.8 Ų51.867%0.66528%0.275SS*.Hα-helixtrans-61.4-28178.7-74.3174.3-176.6-176.30113.2C39 D40 G45C39-K43 WeakPolarHBondContact O-CB 3.37Å; C39-K43 VanDerWaalsContact O-CG 3.22Å; C39-K43 WeakPolarHBondContact O-CG 3.39Å; C39-K43 PolarHBondContact O-N 3.15Å; D40-K43 PolarHBondContact O-N 3.38Å; K43-G45 VanDerWaalsContact C-N 3.32Å
44T91.8Very high93.3Very high88 Ų8849.5 Ų49.554%0.5426%0.264SS..THydrogen-bonded Turntrans-86.1-0.7175.652.10000113.6D40 K41 Y42 V46D40-T44 WeakPolarHBondContact O-CG2 3.39Å; D40-T44 PolarHBondContact O-N 3.18Å; D40-T44 VanDerWaalsContact O-N 3.13Å; D40-T44 PolarHBondContact O-OG1 3.31Å; K41-T44 WeakPolarHBondContact CA-OG1 3.45Å; K41-T44 PolarHBondContact O-OG1 2.81Å; Y42-T44 PolarHBondContact O-N 2.98Å; T44-V46 VanDerWaalsContact C-N 3.3Å; T44-V46 PolarHBondContact O-N 3Å; T44-V46 WeakPolarHBondContact OG1-CG2 3.3Å
45G90.9Very high93.6Very high54 Ų5449.4 Ų49.456%0.55726%0.264SS*.THydrogen-bonded Turntrans70.522179.300000114.1K41 Y42 K43K41-G45 PolarHBondContact O-N 3.34Å; Y42-G45 PolarHBondContact O-N 2.7Å; K43-G45 VanDerWaalsContact C-N 3.32Å
46V91.8Very high93.8Very high40 Ų4047.5 Ų47.524%0.24226%0.257CS..SBendtrans-81.6-34.5179.7177.70000111.4K41 T44 F112 K167K41-V46 HydrophobicContact CB-CB 4.41Å; K41-V46 WeakPolarHBondContact O-CB 3.45Å; K41-V46 PolarHBondContact O-N 3.33Å; T44-V46 VanDerWaalsContact C-N 3.3Å; T44-V46 PolarHBondContact O-N 3Å; T44-V46 WeakPolarHBondContact OG1-CG2 3.3Å; V46-F112 HydrophobicContact CG1-CB 4.01Å; V46-K167 HydrophobicContact CG1-CD 4.39Å; V46-K167 WeakPolarHBondContact O-CD 3.23Å
47I94.1Very high93.9Very high2 Ų244.1 Ų44.11%0.0125%0.249CC..  trans-126.8162.3-179.764.2171.9000109.5I38 K41 F112 S168I38-I47 HydrophobicContact CG2-CD1 3.78Å; I38-I47 WeakPolarHBondContact O-CD1 3.24Å; K41-I47 HydrophobicContact CB-CD1 3.77Å; K41-I47 HydrophobicContact CB-CG1 3.81Å; K41-I47 HydrophobicContact CB-CG2 4.21Å; I47-F112 HydrophobicContact CG2-CB 4.47Å; I47-F112 HydrophobicContact CG2-CD1 3.37Å; I47-F112 HydrophobicContact CG2-CD2 4.22Å; I47-F112 HydrophobicContact CG2-CE1 3.46Å; I47-F112 VanDerWaalsContact CG2-CE1 3.46Å; I47-F112 HydrophobicContact CG2-CE2 4.29Å; I47-F112 HydrophobicContact CG2-CG 3.76Å; I47-F112 HydrophobicContact CG2-CZ 3.91Å; I47-S168 WeakPolarHBondContact CA-OG 2.96Å; I47-S168 WeakPolarHBondContact CB-OG 3.29Å
48D95.1Very high94.1Very high51 Ų5143.9 Ų43.927%0.27325%0.251SS..  trans-151.6174.7174.1-145.8-22.1000110.5Y42 G164 E165 S168 G198Y42-D48 WeakPolarHBondContact CE2-OD1 3.43Å; D48-G164 PolarHBondContact N-O 3.13Å; D48-E165 HydrophobicContact CB-CG 3.97Å; D48-S168 PolarHBondContact N-OG 2.96Å; D48-S168 WeakPolarHBondContact O-CB 3.15Å; D48-S168 PolarHBondContact O-OG 3.35Å; D48-G198 PolarHBondContact O-N 3.04Å
49G95.4Very high94Very high6 Ų648.4 Ų48.46%0.06227%0.273CS..  trans155163.2174.700000112.6A51 C52 F196G49-A51 PolarHBondContact O-N 2.89Å; G49-C52 PolarHBondContact N-SG 3.44Å; G49-C52 WeakPolarHBondContact O-CB 3.48Å; G49-C52 PolarHBondContact O-N 3.33Å; G49-F196 CarbonylContact C-O 3.5Å; G49-F196 VanDerWaalsContact C-O 3.26Å; G49-F196 WeakPolarHBondContact CA-O 3.4Å
50P95.1Very high93.9Very high49 Ų4950.2 Ų50.232%0.31828%0.283SS..THydrogen-bonded Turntrans-62.5-23.7-171.624.7-34.7000113.5F196P50-F196 WeakPolarHBondContact CD-O 3.37Å; P50-F196 HydrophobicContact CG-CD1 4.28Å; P50-F196 HydrophobicContact CG-CE1 4.24Å
51A95.4Very high93.9Very high0 Ų045.2 Ų45.20%026%0.257CS..THydrogen-bonded Turntrans-90.5-10.5178.300000113.6G49 S54 L55 L61 W80 F196 C197G49-A51 PolarHBondContact O-N 2.89Å; A51-S54 PolarHBondContact O-N 3.14Å; A51-L55 VanDerWaalsContact O-CB 3.26Å; A51-L55 WeakPolarHBondContact O-CB 3.5Å; A51-L55 PolarHBondContact O-N 3.49Å; A51-L61 HydrophobicContact CB-CD1 4.03Å; A51-W80 HydrophobicContact CB-CH2 3.56Å; A51-W80 HydrophobicContact CB-CZ2 3.88Å; A51-W80 HydrophobicContact CB-CZ3 3.9Å; A51-F196 WeakPolarHBondContact CB-O 3.4Å; A51-F196 PolarHBondContact N-O 3.01Å; A51-C197 HydrophobicContact CB-CB 4.43Å
52C95.6Very high93.8Very high0 Ų049.9 Ų49.90%027%0.274CS..Hα-helixtrans-64.8-45-171.4-75.40000113.3Y42 G49 S54 L55 C56 C197Y42-C52 HydrophobicContact CD1-CB 4.09Å; Y42-C52 HydrophobicContact CD2-CB 3.42Å; Y42-C52 VanDerWaalsContact CD2-CB 3.42Å; Y42-C52 HydrophobicContact CE1-CB 4.04Å; Y42-C52 HydrophobicContact CE2-CB 3.37Å; Y42-C52 HydrophobicContact CG-CB 3.79Å; G49-C52 PolarHBondContact N-SG 3.44Å; G49-C52 WeakPolarHBondContact O-CB 3.48Å; G49-C52 PolarHBondContact O-N 3.33Å; C52-S54 VanDerWaalsContact C-N 3.34Å; C52-S54 PolarHBondContact O-N 3.38Å; C52-L55 PolarHBondContact O-N 3.28Å; C52-C56 WeakPolarHBondContact O-CB 3.4Å; C52-C56 PolarHBondContact O-N 3.41Å; C52-C197 WeakPolarHBondContact CA-SG 2.94Å; C52-C197 HydrophobicContact CB-CB 3.92Å; C52-C197 WeakPolarHBondContact CB-SG 3.47Å; C52-C197 WeakPolarHBondContact SG-CA 3.36Å; C52-C197 WeakPolarHBondContact SG-CB 3.06Å; C52-C197 CovalentContact SG-SG 2.03Å; C52-C197 PolarHBondContact SG-SG 2.9Å
53N94.9Very high93.7Very high73 Ų7349.7 Ų49.739%0.3928%0.275SS..Hα-helixtrans-61.6-44.8178-174.956.2000111.1L55 C56 V57 T58N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 3.42Å; N53-C56 PolarHBondContact O-N 2.9Å; N53-V57 WeakPolarHBondContact O-CA 3.42Å; N53-V57 WeakPolarHBondContact O-CB 3.16Å; N53-V57 PolarHBondContact O-N 3.07Å; N53-V57 WeakPolarHBondContact OD1-CB 3.26Å; N53-T58 PolarHBondContact O-N 3.3Å; N53-T58 PolarHBondContact O-OG1 3.09Å
54S95.2Very high93.4Very high14 Ų1444.9 Ų44.910%0.09827%0.268CS..Hα-helixtrans-64.6-33.3177.5-58.80000113.7A51 C52 T58 E59 T60 L61 W80A51-S54 PolarHBondContact O-N 3.14Å; C52-S54 VanDerWaalsContact C-N 3.34Å; C52-S54 PolarHBondContact O-N 3.38Å; S54-T58 VanDerWaalsContact CA-OG1 3.32Å; S54-T58 WeakPolarHBondContact CA-OG1 3.18Å; S54-E59 CarbonylContact O-C 3.52Å; S54-E59 WeakPolarHBondContact O-CA 3.35Å; S54-E59 PolarHBondContact O-N 3.37Å; S54-T60 WeakPolarHBondContact CB-OG1 3.41Å; S54-T60 PolarHBondContact O-N 2.87Å; S54-L61 PolarHBondContact O-N 2.8Å; S54-L61 VanDerWaalsContact O-N 3.15Å; S54-W80 PolarHBondContact OG-NE1 2.83Å
55L95.1Very high93.3Very high0 Ų047.6 Ų47.60%027%0.272CS..Hα-helixtrans-77.7-42.1178.4179.367.4000112.8K35 I38 A51 C52 N53 L61 F63 C197 L200K35-L55 HydrophobicContact CD-CD1 4.26Å; K35-L55 WeakPolarHBondContact CE-O 3.46Å; K35-L55 HydrophobicContact CG-CD1 4.13Å; K35-L55 HydrophobicContact CG-CG 4.46Å; K35-L55 PolarHBondContact NZ-O 3.01Å; I38-L55 HydrophobicContact CB-CD2 4.38Å; I38-L55 HydrophobicContact CG2-CD2 3.7Å; A51-L55 VanDerWaalsContact O-CB 3.26Å; A51-L55 WeakPolarHBondContact O-CB 3.5Å; A51-L55 PolarHBondContact O-N 3.49Å; C52-L55 PolarHBondContact O-N 3.28Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 3.42Å; L55-L61 HydrophobicContact CB-CD1 4.49Å; L55-L61 HydrophobicContact CD1-CD2 3.74Å; L55-F63 HydrophobicContact CD1-CE1 3.48Å; L55-F63 VanDerWaalsContact CD1-CE1 3.48Å; L55-F63 HydrophobicContact CD1-CZ 3.99Å; L55-C197 HydrophobicContact CD2-CB 4.31Å; L55-L200 HydrophobicContact CD2-CD1 4.04Å; L55-L200 HydrophobicContact CD2-CD2 4.38Å
56C95.3Very high93.2Very high12 Ų1245.7 Ų45.78%0.08125%0.25CS..Hα-helixtrans-114.3-19.1-161.1-60.60000115.6C39 Y42 C52 N53C39-C56 WeakPolarHBondContact CA-SG 3.19Å; C39-C56 HydrophobicContact CB-CB 3.69Å; C39-C56 WeakPolarHBondContact CB-SG 3.38Å; C39-C56 WeakPolarHBondContact SG-CA 3.33Å; C39-C56 WeakPolarHBondContact SG-CB 3.39Å; C39-C56 CovalentContact SG-SG 2.04Å; C39-C56 PolarHBondContact SG-SG 3.01Å; Y42-C56 HydrophobicContact CD1-CB 3.8Å; Y42-C56 HydrophobicContact CE1-CB 4.35Å; C52-C56 WeakPolarHBondContact O-CB 3.4Å; C52-C56 PolarHBondContact O-N 3.41Å; N53-C56 PolarHBondContact O-N 2.9Å
57V95Very high92.9Very high90 Ų9046.6 Ų46.655%0.54525%0.254SS..THydrogen-bonded Turntrans-117.7-61.9-175.1-177.40000111Y42 N53 E59Y42-V57 HydrophobicContact CE1-CG2 3.98Å; N53-V57 WeakPolarHBondContact O-CA 3.42Å; N53-V57 WeakPolarHBondContact O-CB 3.16Å; N53-V57 PolarHBondContact O-N 3.07Å; N53-V57 WeakPolarHBondContact OD1-CB 3.26Å; V57-E59 VanDerWaalsContact C-N 3.34Å
58T93.4Very high92.4Very high72 Ų7247 Ų4744%0.44226%0.257SS..SBendtrans-81.7-19-178.862.70000112.4N53 S54 T60N53-T58 PolarHBondContact O-N 3.3Å; N53-T58 PolarHBondContact O-OG1 3.09Å; S54-T58 VanDerWaalsContact CA-OG1 3.32Å; S54-T58 WeakPolarHBondContact CA-OG1 3.18Å; T58-T60 PolarHBondContact O-N 3.26Å; T58-T60 PolarHBondContact OG1-OG1 2.98Å
59E90.8Very high91.5Very high98 Ų9849.2 Ų49.246%0.45827%0.272SS..  trans54.631.7-178-52.1-156.5124.800114.1K35 S54 V57 L61 Y62K35-E59 IonicContact NZ-OE1 3.83Å; K35-E59 PolarHBondContact NZ-OE1 3.3Å; S54-E59 CarbonylContact O-C 3.52Å; S54-E59 WeakPolarHBondContact O-CA 3.35Å; S54-E59 PolarHBondContact O-N 3.37Å; V57-E59 VanDerWaalsContact C-N 3.34Å; E59-L61 VanDerWaalsContact C-N 3.3Å; E59-Y62 WeakPolarHBondContact O-CE1 3.33Å; E59-Y62 PolarHBondContact O-OH 3.44Å
60T92.3Very high90.7Very high49 Ų4954.1 Ų54.130%0.30129%0.292SS..  trans-79.1-13.2175.9560000113.4S54 T58 Y62S54-T60 WeakPolarHBondContact CB-OG1 3.41Å; S54-T60 PolarHBondContact O-N 2.87Å; T58-T60 PolarHBondContact O-N 3.26Å; T58-T60 PolarHBondContact OG1-OG1 2.98Å; T60-Y62 WeakPolarHBondContact O-CD2 3.36Å; T60-Y62 WeakPolarHBondContact O-CE2 3.25Å
61L93.7Very high89.8Confident3 Ų354.8 Ų54.82%0.01630%0.296CS..SBendtrans-95.7111.3174-174166.2000110A51 S54 L55 E59 F63 I79 W80 V87 V202A51-L61 HydrophobicContact CB-CD1 4.03Å; S54-L61 PolarHBondContact O-N 2.8Å; S54-L61 VanDerWaalsContact O-N 3.15Å; L55-L61 HydrophobicContact CB-CD1 4.49Å; L55-L61 HydrophobicContact CD1-CD2 3.74Å; E59-L61 VanDerWaalsContact C-N 3.3Å; L61-F63 HydrophobicContact CD2-CD1 3.85Å; L61-F63 HydrophobicContact CD2-CE1 3.56Å; L61-I79 WeakPolarHBondContact CA-O 3.34Å; L61-W80 HydrophobicContact CB-CB 4.42Å; L61-W80 HydrophobicContact CB-CG 4.18Å; L61-W80 HydrophobicContact CD1-CB 4.43Å; L61-W80 HydrophobicContact CD1-CD2 4.01Å; L61-W80 HydrophobicContact CD1-CE3 4.31Å; L61-W80 HydrophobicContact CD1-CG 4.03Å; L61-W80 HydrophobicContact CG-CB 4.12Å; L61-W80 HydrophobicContact CG-CG 4.11Å; L61-V87 HydrophobicContact CD2-CG2 4.01Å; L61-V202 HydrophobicContact CD1-CG2 3.75Å
62Y90.4Very high89Confident141 Ų14157.5 Ų57.555%0.55331%0.31SS*.EExtended strand (participates in β ladder)trans-107.5141.7-173.9-62.1-76.9000113.2E59 T60 G78 I79E59-Y62 WeakPolarHBondContact O-CE1 3.33Å; E59-Y62 PolarHBondContact O-OH 3.44Å; T60-Y62 WeakPolarHBondContact O-CD2 3.36Å; T60-Y62 WeakPolarHBondContact O-CE2 3.25Å; Y62-G78 WeakPolarHBondContact O-CA 3.15Å; Y62-I79 PolarHBondContact N-O 3.01Å; Y62-I79 PolarHBondContact O-N 2.87Å
63F91.8Very high88.4Confident49 Ų4959 Ų5922%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-98.1111.8173.6-7035.7000107.8K35 L55 L61 Y76 V87 L200K35-F63 HydrophobicContact CB-CZ 4.29Å; L55-F63 HydrophobicContact CD1-CE1 3.48Å; L55-F63 VanDerWaalsContact CD1-CE1 3.48Å; L55-F63 HydrophobicContact CD1-CZ 3.99Å; L61-F63 HydrophobicContact CD2-CD1 3.85Å; L61-F63 HydrophobicContact CD2-CE1 3.56Å; F63-Y76 HydrophobicContact CB-CD1 4.39Å; F63-Y76 HydrophobicContact CB-CG 4.36Å; F63-Y76 HydrophobicContact CD2-CD1 4.44Å; F63-Y76 AromaticContact CD2-CD2 3.8Å; F63-Y76 HydrophobicContact CD2-CD2 3.8Å; F63-Y76 HydrophobicContact CD2-CE2 4.25Å; F63-Y76 AromaticContact CD2-CG 3.94Å; F63-Y76 HydrophobicContact CD2-CG 3.94Å; F63-Y76 HydrophobicContact CE2-CD2 4.26Å; F63-Y76 HydrophobicContact CG-CG 4.45Å; F63-V87 HydrophobicContact CD1-CG2 4.44Å; F63-V87 HydrophobicContact CE1-CG1 3.88Å; F63-V87 HydrophobicContact CE1-CG2 4.42Å; F63-V87 HydrophobicContact CE2-CG1 4.25Å; F63-V87 HydrophobicContact CZ-CG1 3.76Å; F63-L200 HydrophobicContact CZ-CD1 3.8Å
64G88.9Confident88.1Confident51 Ų5155.5 Ų55.553%0.52630%0.3SS..EExtended strand (participates in β ladder)trans-93.7-120.7177.300000112.2L77G64-L77 CarbonylContact C-O 3.45Å; G64-L77 WeakPolarHBondContact CA-O 3.29Å; G64-L77 PolarHBondContact N-O 3.04Å
65K88.5Confident87.9Confident145 Ų14556.1 Ų56.163%0.6330%0.301SS*.EExtended strand (participates in β ladder)trans-71.8131.2-173.8-175.1-179.3177.2-176.50111.5L67 Y76 L77K65-L67 HydrophobicContact CD-CD2 4.47Å; K65-Y76 CarbonylContact O-C 3.36Å; K65-Y76 WeakPolarHBondContact O-CA 3.36Å; K65-L77 HydrophobicContact CB-CB 4.33Å; K65-L77 HydrophobicContact CB-CD1 4.14Å; K65-L77 HydrophobicContact CB-CG 4.46Å; K65-L77 HydrophobicContact CD-CD1 4.42Å; K65-L77 PolarHBondContact O-N 3.11Å
66C89.4Confident87.7Confident14 Ų1456.7 Ų56.710%0.09530%0.304CS..EExtended strand (participates in β ladder)trans-71.8131.8172.9-176.60000111.7Y25 C29 S68 Y76Y25-C66 HydrophobicContact CE2-CB 4.21Å; C29-C66 VanDerWaalsContact CA-SG 3.6Å; C29-C66 HydrophobicContact CB-CB 3.74Å; C29-C66 WeakPolarHBondContact CB-SG 3.13Å; C29-C66 WeakPolarHBondContact SG-CB 3.45Å; C29-C66 CovalentContact SG-SG 2.03Å; C29-C66 PolarHBondContact SG-SG 3.32Å; C66-S68 PolarHBondContact SG-OG 2.78Å; C66-Y76 HydrophobicContact CB-CD1 4.03Å; C66-Y76 HydrophobicContact CB-CE1 3.61Å
67L86.1Confident87.5Confident60 Ų6059.3 Ų59.331%0.31432%0.316SS..  trans-120.27.2176-57.9-178000112.3K65 T69 M75 L77K65-L67 HydrophobicContact CD-CD2 4.47Å; L67-T69 PolarHBondContact O-N 3.12Å; L67-M75 HydrophobicContact CB-CB 4.16Å; L67-M75 PolarHBondContact N-O 3.49Å; L67-M75 WeakPolarHBondContact O-CE 3.34Å; L67-L77 HydrophobicContact CD1-CD2 3.62Å; L67-L77 HydrophobicContact CD1-CG 3.69Å; L67-L77 HydrophobicContact CD2-CG 4.41Å; L67-L77 HydrophobicContact CG-CG 4.1Å
68S83.8Confident87.4Confident11 Ų1155.4 Ų55.48%0.07730%0.295CS..  trans-60.5129.1-177-54.30000112.3L28 C66 Q74 M75L28-S68 WeakPolarHBondContact O-CB 3.35Å; L28-S68 PolarHBondContact O-OG 2.86Å; C66-S68 PolarHBondContact SG-OG 2.78Å; S68-Q74 WeakPolarHBondContact OG-CA 3.49Å; S68-Q74 PolarHBondContact OG-OE1 2.69Å; S68-M75 PolarHBondContact N-O 2.78Å; S68-M75 PolarHBondContact OG-N 2.95Å
69T76.1Confident87.3Confident97 Ų9756.4 Ų56.460%0.59530%0.296SS*.SBendtrans-105.5-11.1173.5540000112.8L67L67-T69 PolarHBondContact O-N 3.12Å
70K79.1Confident87.5Confident108 Ų10852.6 Ų52.647%0.4728%0.278SS..BIsolated β-bridgetrans-137.6141.7178.8-65.1-178178.7177.90109.6N72 N73K70-N72 VanDerWaalsContact C-N 3.26Å; K70-N72 PolarHBondContact O-N 3.22Å; K70-N73 HydrophobicContact CB-CB 4.32Å; K70-N73 CarbonylContact O-C 3.59Å; K70-N73 PolarHBondContact O-N 3.26Å; K70-N73 VanDerWaalsContact O-N 3.08Å
71P75.4Confident87.3Confident64 Ų6454.9 Ų54.942%0.41629%0.288SS..THydrogen-bonded Turntrans-62.6-33.3-17824.4-33.8000112.7N73 Q74P71-N73 VanDerWaalsContact C-N 3.3Å; P71-N73 PolarHBondContact O-N 2.91Å; P71-Q74 PolarHBondContact O-NE2 3.2Å
72N77.8Confident87Confident56 Ų5662.3 Ų62.330%0.29933%0.328SS..THydrogen-bonded Turntrans-78.1-16.4179.5-58.4-17.1000113.3K70 M91 Q93K70-N72 VanDerWaalsContact C-N 3.26Å; K70-N72 PolarHBondContact O-N 3.22Å; N72-M91 PolarHBondContact O-N 3.41Å; N72-Q93 VanDerWaalsContact ND2-CG 3.34Å; N72-Q93 WeakPolarHBondContact ND2-CG 3.37Å; N72-Q93 PolarHBondContact ND2-NE2 3.27Å
73N83.8Confident87.1Confident31 Ų3160.5 Ų60.517%0.16633%0.327CS..EExtended strand (participates in β ladder)trans-122.696.2-174.9-65.8-42.4000109.8K70 P71 R289K70-N73 HydrophobicContact CB-CB 4.32Å; K70-N73 CarbonylContact O-C 3.59Å; K70-N73 PolarHBondContact O-N 3.26Å; K70-N73 VanDerWaalsContact O-N 3.08Å; P71-N73 VanDerWaalsContact C-N 3.3Å; P71-N73 PolarHBondContact O-N 2.91Å; N73-R289 PolarHBondContact ND2-NH1 2.86Å; N73-R289 VanDerWaalsContact ND2-NH1 3.19Å
74Q87.7Confident87.1Confident1 Ų161.9 Ų61.91%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-85.3124.5-175.9-67.6-59.3-4800109.4L28 S68 P71 Y76 K88 C89 M91L28-Q74 VanDerWaalsContact O-CD 3.27Å; L28-Q74 PolarHBondContact O-NE2 2.93Å; L28-Q74 PolarHBondContact O-OE1 2.98Å; S68-Q74 WeakPolarHBondContact OG-CA 3.49Å; S68-Q74 PolarHBondContact OG-OE1 2.69Å; P71-Q74 PolarHBondContact O-NE2 3.2Å; Q74-Y76 HydrophobicContact CB-CE2 3.97Å; Q74-Y76 PolarHBondContact OE1-OH 2.97Å; Q74-K88 WeakPolarHBondContact O-CA 3.36Å; Q74-C89 HydrophobicContact CB-CB 4.08Å; Q74-C89 WeakPolarHBondContact CB-O 3.42Å; Q74-C89 PolarHBondContact N-O 3.08Å; Q74-C89 PolarHBondContact O-N 2.91Å; Q74-M91 HydrophobicContact CG-CG 3.4Å; Q74-M91 VanDerWaalsContact CG-CG 3.4Å; Q74-M91 HydrophobicContact CG-SD 4.3Å
75M90.8Very high87.3Confident26 Ų2659.5 Ų59.513%0.12832%0.316CS..EExtended strand (participates in β ladder)trans-130.8129.2178.5-59.8-169.6-66.900109.8L67 S68 V87 K88L67-M75 HydrophobicContact CB-CB 4.16Å; L67-M75 PolarHBondContact N-O 3.49Å; L67-M75 WeakPolarHBondContact O-CE 3.34Å; S68-M75 PolarHBondContact N-O 2.78Å; S68-M75 PolarHBondContact OG-N 2.95Å; M75-V87 WeakPolarHBondContact CA-O 3.33Å; M75-K88 HydrophobicContact CG-CG 4.15Å
76Y91.6Very high87.6Confident13 Ų1353.2 Ų53.25%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-133.8139.5-179.4-66.3-92000110.6C29 R30 G31 F63 K65 C66 Q74 V86 V87C29-Y76 WeakPolarHBondContact CA-OH 3.49Å; R30-Y76 PolarHBondContact N-OH 2.8Å; G31-Y76 VanDerWaalsContact CA-CZ 3.47Å; G31-Y76 WeakPolarHBondContact CA-OH 3.39Å; G31-Y76 PolarHBondContact N-OH 3Å; F63-Y76 HydrophobicContact CB-CD1 4.39Å; F63-Y76 HydrophobicContact CB-CG 4.36Å; F63-Y76 HydrophobicContact CD2-CD1 4.44Å; F63-Y76 AromaticContact CD2-CD2 3.8Å; F63-Y76 HydrophobicContact CD2-CD2 3.8Å; F63-Y76 HydrophobicContact CD2-CE2 4.25Å; F63-Y76 AromaticContact CD2-CG 3.94Å; F63-Y76 HydrophobicContact CD2-CG 3.94Å; F63-Y76 HydrophobicContact CE2-CD2 4.26Å; F63-Y76 HydrophobicContact CG-CG 4.45Å; K65-Y76 CarbonylContact O-C 3.36Å; K65-Y76 WeakPolarHBondContact O-CA 3.36Å; C66-Y76 HydrophobicContact CB-CD1 4.03Å; C66-Y76 HydrophobicContact CB-CE1 3.61Å; Q74-Y76 HydrophobicContact CB-CE2 3.97Å; Q74-Y76 PolarHBondContact OE1-OH 2.97Å; Y76-V86 CarbonylContact O-C 3.58Å; Y76-V86 WeakPolarHBondContact O-CA 3.46Å; Y76-V87 PolarHBondContact N-O 3.3Å; Y76-V87 PolarHBondContact O-N 2.79Å
77L92.4Very high87.9Confident66 Ų6652.6 Ų52.635%0.34629%0.286SS..EExtended strand (participates in β ladder)trans-66.4132.6157.1-66.2-178.7000107.9G64 K65 L67 V86G64-L77 CarbonylContact C-O 3.45Å; G64-L77 WeakPolarHBondContact CA-O 3.29Å; G64-L77 PolarHBondContact N-O 3.04Å; K65-L77 HydrophobicContact CB-CB 4.33Å; K65-L77 HydrophobicContact CB-CD1 4.14Å; K65-L77 HydrophobicContact CB-CG 4.46Å; K65-L77 HydrophobicContact CD-CD1 4.42Å; K65-L77 PolarHBondContact O-N 3.11Å; L67-L77 HydrophobicContact CD1-CD2 3.62Å; L67-L77 HydrophobicContact CD1-CG 3.69Å; L67-L77 HydrophobicContact CD2-CG 4.41Å; L67-L77 HydrophobicContact CG-CG 4.1Å; L77-V86 HydrophobicContact CD2-CG2 4.2Å
78G91.3Very high88.2Confident9 Ų950.1 Ų50.19%0.09327%0.273CS..EExtended strand (participates in β ladder)trans-139.3171.7179.600000112Y62 G85Y62-G78 WeakPolarHBondContact O-CA 3.15Å; G78-G85 PolarHBondContact N-O 2.88Å; G78-G85 PolarHBondContact O-N 3.41Å; G78-G85 VanDerWaalsContact O-O 3.11Å
79I92.8Very high88.5Confident92 Ų9249.8 Ų49.847%0.47227%0.271SS..EExtended strand (participates in β ladder)trans-127.2130.1172.1-58.2173000106.2L61 Y62 L83L61-I79 WeakPolarHBondContact CA-O 3.34Å; Y62-I79 PolarHBondContact N-O 3.01Å; Y62-I79 PolarHBondContact O-N 2.87Å; I79-L83 WeakPolarHBondContact CA-O 2.98Å
80W93.8Very high88.9Confident19 Ų1948.5 Ų48.57%0.07226%0.258CS..EExtended strand (participates in β ladder)trans-135.1123.4174.5-176.619.1000109A51 S54 L61 N82 L83 M194 V202A51-W80 HydrophobicContact CB-CH2 3.56Å; A51-W80 HydrophobicContact CB-CZ2 3.88Å; A51-W80 HydrophobicContact CB-CZ3 3.9Å; S54-W80 PolarHBondContact OG-NE1 2.83Å; L61-W80 HydrophobicContact CB-CB 4.42Å; L61-W80 HydrophobicContact CB-CG 4.18Å; L61-W80 HydrophobicContact CD1-CB 4.43Å; L61-W80 HydrophobicContact CD1-CD2 4.01Å; L61-W80 HydrophobicContact CD1-CE3 4.31Å; L61-W80 HydrophobicContact CD1-CG 4.03Å; L61-W80 HydrophobicContact CG-CB 4.12Å; L61-W80 HydrophobicContact CG-CG 4.11Å; W80-N82 VanDerWaalsContact C-N 3.26Å; W80-N82 PolarHBondContact O-N 3.04Å; W80-L83 PolarHBondContact N-O 2.79Å; W80-L83 WeakPolarHBondContact O-CB 3.36Å; W80-L83 PolarHBondContact O-N 3.18Å; W80-M194 HydrophobicContact CB-CE 4.39Å; W80-M194 HydrophobicContact CE3-CB 3.92Å; W80-M194 HydrophobicContact CE3-CE 4.27Å; W80-M194 HydrophobicContact CZ3-CB 3.77Å; W80-M194 WeakPolarHBondContact CZ3-O 3.33Å; W80-V202 HydrophobicContact CE3-CB 3.96Å; W80-V202 HydrophobicContact CE3-CG1 4.06Å; W80-V202 HydrophobicContact CE3-CG2 4.01Å; W80-V202 HydrophobicContact CZ3-CB 4.2Å; W80-V202 HydrophobicContact CZ3-CG2 4.29Å
81D87.8Confident88.8Confident97 Ų9744.2 Ų44.252%0.51924%0.24SC..THydrogen-bonded Turntrans51.844.1-178-60.8-25.3000113L83D81-L83 PolarHBondContact O-N 3.36Å
82N87.8Confident88.3Confident159 Ų15947.1 Ų47.185%0.8525%0.248SC*.THydrogen-bonded Turntrans63.89.4-176.1-58-43.8000115.8W80W80-N82 VanDerWaalsContact C-N 3.26Å; W80-N82 PolarHBondContact O-N 3.04Å
83L91.8Very high87Confident103 Ų10350.6 Ų50.654%0.53926%0.262SS..EExtended strand (participates in β ladder)trans-101.7132.9173.8-63.5173.3000110.1I79 W80 D81 M194I79-L83 WeakPolarHBondContact CA-O 2.98Å; W80-L83 PolarHBondContact N-O 2.79Å; W80-L83 WeakPolarHBondContact O-CB 3.36Å; W80-L83 PolarHBondContact O-N 3.18Å; D81-L83 PolarHBondContact O-N 3.36Å; L83-M194 HydrophobicContact CB-CE 3.7Å; L83-M194 HydrophobicContact CD1-CE 4.12Å
84P92.8Very high84.6Confident77 Ų7753.7 Ų53.750%0.529%0.292SS..EExtended strand (participates in β ladder)trans-69.1136.7173.331-34.2000109.9S205P84-S205 WeakPolarHBondContact CB-OG 3.32Å; P84-S205 PolarHBondContact O-OG 2.86Å
85G93.6Very high82Confident1 Ų160 Ų601%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-145.7170.8-178.800000112.6G78 M203G78-G85 PolarHBondContact N-O 2.88Å; G78-G85 PolarHBondContact O-N 3.41Å; G78-G85 VanDerWaalsContact O-O 3.11Å; G85-M203 CarbonylContact C-O 3.58Å; G85-M203 WeakPolarHBondContact CA-O 3.15Å
86V94.6Very high79Confident13 Ų1367.4 Ų67.48%0.07936%0.359CS..EExtended strand (participates in β ladder)trans-112.4119.9170.5-175.50000108.2Y76 L77 K88 V202 M203Y76-V86 CarbonylContact O-C 3.58Å; Y76-V86 WeakPolarHBondContact O-CA 3.46Å; L77-V86 HydrophobicContact CD2-CG2 4.2Å; V86-K88 HydrophobicContact CG1-CG 4.2Å; V86-V202 WeakPolarHBondContact O-CA 2.86Å; V86-M203 HydrophobicContact CB-CE 4.31Å; V86-M203 HydrophobicContact CB-CG 3.86Å; V86-M203 HydrophobicContact CG2-CE 4.39Å; V86-M203 PolarHBondContact N-O 2.79Å; V86-M203 PolarHBondContact O-N 3.39Å
87V94.9Very high76Confident2 Ų273.3 Ų73.31%0.01239%0.391CS..EExtended strand (participates in β ladder)trans-89.9121.6174.2-173.90000108.3L61 F63 M75 Y76 L200 V202L61-V87 HydrophobicContact CD2-CG2 4.01Å; F63-V87 HydrophobicContact CD1-CG2 4.44Å; F63-V87 HydrophobicContact CE1-CG1 3.88Å; F63-V87 HydrophobicContact CE1-CG2 4.42Å; F63-V87 HydrophobicContact CE2-CG1 4.25Å; F63-V87 HydrophobicContact CZ-CG1 3.76Å; M75-V87 WeakPolarHBondContact CA-O 3.33Å; Y76-V87 PolarHBondContact N-O 3.3Å; Y76-V87 PolarHBondContact O-N 2.79Å; V87-L200 HydrophobicContact CG1-CD1 3.85Å; V87-L200 HydrophobicContact CG1-CD2 3.98Å; V87-L200 HydrophobicContact CG1-CG 3.93Å; V87-V202 HydrophobicContact CG2-CG1 4.46Å; V87-V202 HydrophobicContact CG2-CG2 4.31Å
88K93.2Very high72.8Confident7 Ų777.8 Ų77.83%0.0342%0.415CS..EExtended strand (participates in β ladder)trans-113.6134.1175.7-67.4-174.1172.7167.90109.4Q74 M75 V86 E177 L200 Y201 M203 V286Q74-K88 WeakPolarHBondContact O-CA 3.36Å; M75-K88 HydrophobicContact CG-CG 4.15Å; V86-K88 HydrophobicContact CG1-CG 4.2Å; K88-E177 IonicContact NZ-OE1 2.79Å; K88-E177 PolarHBondContact NZ-OE1 2.79Å; K88-E177 IonicContact NZ-OE2 2.7Å; K88-L200 WeakPolarHBondContact O-CA 3.47Å; K88-Y201 HydrophobicContact CB-CD1 4.48Å; K88-Y201 HydrophobicContact CB-CD2 4.35Å; K88-Y201 HydrophobicContact CB-CE1 3.95Å; K88-Y201 HydrophobicContact CB-CE2 3.8Å; K88-Y201 HydrophobicContact CD-CE2 3.68Å; K88-Y201 WeakPolarHBondContact CD-OH 3.45Å; K88-Y201 HydrophobicContact CG-CE2 4.15Å; K88-Y201 PolarHBondContact N-O 2.74Å; K88-Y201 PolarHBondContact O-N 3.26Å; K88-M203 HydrophobicContact CD-SD 4.04Å; K88-M203 VanDerWaalsContact CE-SD 3.58Å; K88-M203 PolarHBondContact NZ-SD 3.13Å; K88-V286 PolarHBondContact NZ-O 3.35Å
89C89Confident70.2Confident5 Ų586.8 Ų86.83%0.03445%0.452CS..EExtended strand (participates in β ladder)trans-140.8137.4-178.9177.80000110.6C34 Q74 L200C34-C89 HydrophobicContact CB-CB 4.06Å; C34-C89 WeakPolarHBondContact CB-SG 3.34Å; C34-C89 WeakPolarHBondContact SG-CB 3.38Å; C34-C89 CovalentContact SG-SG 2.01Å; C34-C89 PolarHBondContact SG-SG 3.42Å; Q74-C89 HydrophobicContact CB-CB 4.08Å; Q74-C89 WeakPolarHBondContact CB-O 3.42Å; Q74-C89 PolarHBondContact N-O 3.08Å; Q74-C89 PolarHBondContact O-N 2.91Å; C89-L200 HydrophobicContact CB-CD1 4.24Å; C89-L200 HydrophobicContact CB-CG 4.43Å
90Q84.3Confident67.2Low69 Ų6985.3 Ų85.332%0.32246%0.459SS..EExtended strand (participates in β ladder)trans-94.3130.1172-70.8-161.3-8.300110.4L175Q90-L175 VanDerWaalsContact CD-CD2 3.46Å
91M78.4Confident64.1Low18 Ų1891 Ų919%0.08950%0.496CS..PPolyproline II helixtrans-98.2129.5170.7-63.1-70.2-70.600108R30 D33 C34 I37 N72 Q74R30-M91 HydrophobicContact CB-CE 4.31Å; D33-M91 HydrophobicContact CB-CE 3.77Å; C34-M91 HydrophobicContact CB-SD 3.73Å; I37-M91 HydrophobicContact CD1-CE 4.31Å; N72-M91 PolarHBondContact O-N 3.41Å; Q74-M91 HydrophobicContact CG-CG 3.4Å; Q74-M91 VanDerWaalsContact CG-CG 3.4Å; Q74-M91 HydrophobicContact CG-SD 4.3Å
92E64.1Low61.4Low126 Ų12695.4 Ų95.459%0.58951%0.514SS*.PPolyproline II helixtrans-58.8137.6171.4-72.6169.3-166.900109.8K41 A94K41-E92 IonicContact NZ-OE1 2.72Å; K41-E92 PolarHBondContact NZ-OE1 3.22Å; E92-A94 PolarHBondContact O-N 2.99Å
93Q50.8Low58.8Low129 Ų12996.1 Ų96.160%0.60352%0.517SS*.PPolyproline II helixtrans-66125.6175.4-78.1178.88.800109.8N72 L95N72-Q93 VanDerWaalsContact ND2-CG 3.34Å; N72-Q93 WeakPolarHBondContact ND2-CG 3.37Å; N72-Q93 PolarHBondContact ND2-NE2 3.27Å; Q93-L95 PolarHBondContact O-N 3.15Å
94A33.9Very low55.7Low95 Ų9598.1 Ų98.179%0.78552%0.523SS*.  trans-72.7104.3142.300000105.6E92 H96E92-A94 PolarHBondContact O-N 2.99Å; A94-H96 PolarHBondContact O-N 3.44Å
95L32.1Very low52.6Low134 Ų134100.6 Ų100.670%0.70254%0.539SS*.  trans-49.3112.5178.7-83.2156.1000110.2Q93 L97Q93-L95 PolarHBondContact O-N 3.15Å; L95-L97 PolarHBondContact O-N 3.42Å
96H29.3Very low49.6Very low181 Ų181110.7 Ų110.784%0.83858%0.577SS**  trans-70.8114.1155.1-93.3-84.7000106.8A94 D98A94-H96 PolarHBondContact O-N 3.44Å; H96-D98 PolarHBondContact O-N 3.02Å
97L27.1Very low46.7Very low138 Ų138119 Ų11972%0.72361%0.612SS**  trans-60.794169.1-83.2134.2000109.4L95 F99L95-L97 PolarHBondContact O-N 3.42Å; L97-F99 HydrophobicContact CB-CE2 4.42Å; L97-F99 HydrophobicContact CD2-CE2 4.4Å; L97-F99 PolarHBondContact O-N 2.78Å
98D26.4Very low43.7Very low159 Ų159127.1 Ų127.185%0.8565%0.65SS**  trans-80.8106.7156.4-87.7-25.2000107.6H96 G100H96-D98 PolarHBondContact O-N 3.02Å; D98-G100 PolarHBondContact O-N 3.15Å
99F35.5Very low41.4Very low199 Ų199132.7 Ų132.787%0.87368%0.679SS**  trans-66.998.4169.8-84.3-90.2000109L97L97-F99 HydrophobicContact CB-CE2 4.42Å; L97-F99 HydrophobicContact CD2-CE2 4.4Å; L97-F99 PolarHBondContact O-N 2.78Å
100G29.5Very low39.9Very low61 Ų61135.8 Ų135.863%0.62970%0.697SS**  trans-162.282.8176.400000111.9D98D98-G100 PolarHBondContact O-N 3.15Å
101T29.1Very low39Very low138 Ų138133.6 Ų133.685%0.84769%0.688SS**SBendtrans43.6117.3154.749.20000120.5
102E30.5Very low38.9Very low189 Ų189133 Ų13388%0.88369%0.685SS**  trans89.6118.4154.8-61.5-171.4167.600118.7E104E102-E104 PolarHBondContact O-N 3.1Å
103L33.9Very low39.6Very low175 Ų175131.6 Ų131.692%0.91668%0.681SS**  trans-70.8115-170.3-75.691.9000111.4
104E26.3Very low41.1Very low144 Ų144131.2 Ų131.267%0.67368%0.678SS**  trans-109.5133.4138.1-71.4-162149.700108.3E102 R106E102-E104 PolarHBondContact O-N 3.1Å; E104-R106 HydrophobicContact CB-CG 4.15Å; E104-R106 PolarHBondContact O-N 3.21Å
105P27.8Very low43.6Very low129 Ų129126.8 Ų126.884%0.83864%0.641SS**  trans-71.481.1172.130.6-30.7000107.7K107P105-K107 PolarHBondContact O-N 3.01Å
106R30.7Very low46.3Very low213 Ų213124.9 Ų124.980%0.80464%0.635SS**  trans-69.6104-177.2-74.8-179.3177.21641.9108.6E104 E108E104-R106 HydrophobicContact CB-CG 4.15Å; E104-R106 PolarHBondContact O-N 3.21Å; R106-E108 PolarHBondContact O-N 3.13Å; R106-E108 VanDerWaalsContact O-N 3.16Å
107K33.1Very low48.9Very low188 Ų188126.6 Ų126.682%0.81763%0.634SS**  trans-32.5113.5175.1-74.6167.2176.6163.40111.5P105 I109P105-K107 PolarHBondContact O-N 3.01Å; K107-I109 VanDerWaalsContact C-N 3.32Å; K107-I109 PolarHBondContact O-N 3.22Å
108E31.8Very low51.6Low173 Ų173123.7 Ų123.781%0.80864%0.637SS**  trans-53.8103.3152.1-74.5176.7158.500106.6R106 V110R106-E108 PolarHBondContact O-N 3.13Å; R106-E108 VanDerWaalsContact O-N 3.16Å; E108-V110 PolarHBondContact O-N 3.11Å
109I45.8Very low54.6Low124 Ų124117.9 Ų117.964%0.63661%0.607SS**  trans-7687.3168.7-57.6172.7000104.5K107 L111K107-I109 VanDerWaalsContact C-N 3.32Å; K107-I109 PolarHBondContact O-N 3.22Å; I109-L111 VanDerWaalsContact C-N 3.31Å; I109-L111 PolarHBondContact O-N 3.08Å
110V57.7Low57.2Low69 Ų69112.7 Ų112.742%0.41859%0.592SS.*  trans-61.6103.5164.2-175.50000105.7E108 F112 D113E108-V110 PolarHBondContact O-N 3.11Å; V110-F112 PolarHBondContact O-N 3.29Å; V110-D113 HydrophobicContact CB-CB 4.1Å; V110-D113 WeakPolarHBondContact CB-OD2 3.25Å; V110-D113 HydrophobicContact CG1-CB 4.19Å; V110-D113 WeakPolarHBondContact CG1-OD1 3.22Å; V110-D113 WeakPolarHBondContact CG1-OD2 3.4Å; V110-D113 PolarHBondContact O-N 3.38Å; V110-D113 VanDerWaalsContact O-N 3.15Å
111L65.7Low60.1Low23 Ų23113.4 Ų113.412%0.1258%0.584CS.*THydrogen-bonded Turntrans-58.9-23.7-158.9-167.365.1000113.6I109 A171 D199I109-L111 VanDerWaalsContact C-N 3.31Å; I109-L111 PolarHBondContact O-N 3.08Å; L111-A171 HydrophobicContact CD1-CB 4.22Å; L111-A171 HydrophobicContact CD2-CB 4.45Å; L111-A171 HydrophobicContact CG-CB 3.85Å; L111-D199 HydrophobicContact CD2-CB 3.57Å; L111-D199 WeakPolarHBondContact CD2-OD2 3.45Å
112F75.4Confident63.1Low7 Ų7112.4 Ų112.43%0.03157%0.57CS.*THydrogen-bonded Turntrans-120.116.3-175.3-56.1-73.1000114.8K41 V46 I47 V110 K114 K167 A171 D199K41-F112 HydrophobicContact CD-CD2 3.69Å; K41-F112 HydrophobicContact CD-CE2 3.68Å; K41-F112 VanDerWaalsContact NZ-CE2 3.31Å; V46-F112 HydrophobicContact CG1-CB 4.01Å; I47-F112 HydrophobicContact CG2-CB 4.47Å; I47-F112 HydrophobicContact CG2-CD1 3.37Å; I47-F112 HydrophobicContact CG2-CD2 4.22Å; I47-F112 HydrophobicContact CG2-CE1 3.46Å; I47-F112 VanDerWaalsContact CG2-CE1 3.46Å; I47-F112 HydrophobicContact CG2-CE2 4.29Å; I47-F112 HydrophobicContact CG2-CG 3.76Å; I47-F112 HydrophobicContact CG2-CZ 3.91Å; V110-F112 PolarHBondContact O-N 3.29Å; F112-K114 VanDerWaalsContact C-N 3.28Å; F112-K167 WeakPolarHBondContact O-CD 3.5Å; F112-K167 VanDerWaalsContact O-CE 3.26Å; F112-K167 WeakPolarHBondContact O-CE 3.5Å; F112-K167 PolarHBondContact O-NZ 3.43Å; F112-A171 HydrophobicContact CD1-CB 3.96Å; F112-A171 HydrophobicContact CE1-CB 3.56Å; F112-A171 HydrophobicContact CZ-CB 4.3Å; F112-D199 HydrophobicContact CE1-CB 4.41Å; F112-D199 HydrophobicContact CZ-CB 3.91Å; F112-D199 WeakPolarHBondContact CZ-OD1 3.36Å
113D78.6Confident66Low96 Ų96108.3 Ų108.351%0.51355%0.549SS..  trans-75.6-20.1176.9-86.7-3.2000113.2V110V110-D113 HydrophobicContact CB-CB 4.1Å; V110-D113 WeakPolarHBondContact CB-OD2 3.25Å; V110-D113 HydrophobicContact CG1-CB 4.19Å; V110-D113 WeakPolarHBondContact CG1-OD1 3.22Å; V110-D113 WeakPolarHBondContact CG1-OD2 3.4Å; V110-D113 PolarHBondContact O-N 3.38Å; V110-D113 VanDerWaalsContact O-N 3.15Å
114K83.3Confident68.9Low121 Ų121100.2 Ų100.253%0.52651%0.507SS..  trans-113.3139.5178.8-66.1-177.8-177.6179.80110.7F112 M127 W170F112-K114 VanDerWaalsContact C-N 3.28Å; K114-M127 HydrophobicContact CB-CE 4.43Å; K114-W170 HydrophobicContact CB-CG 4.28Å; K114-W170 HydrophobicContact CD-CZ2 4.45Å
115P86.6Confident72.1Confident1 Ų196.1 Ų96.11%0.00649%0.486CS..SBendcis-72.8158.3-7.329-33.1000113.4T119 F124 M127 L163 A166 K167P115-T119 HydrophobicContact CB-CG2 3.89Å; P115-F124 HydrophobicContact CB-CD2 4.4Å; P115-F124 HydrophobicContact CG-CD2 3.93Å; P115-F124 HydrophobicContact CG-CE2 4.25Å; P115-M127 HydrophobicContact CB-CE 4.19Å; P115-M127 HydrophobicContact CB-SD 4.21Å; P115-L163 HydrophobicContact CG-CD1 4.2Å; P115-A166 HydrophobicContact CG-CB 3.64Å; P115-K167 WeakPolarHBondContact O-CE 3.29Å
116T87.5Confident75.3Confident94 Ų9494.3 Ų94.358%0.57747%0.467SS*.PPolyproline II helixtrans-74.3156.2178.550.70000111.4G118 T119T116-G118 PolarHBondContact O-N 3.35Å; T116-T119 PolarHBondContact N-OG1 3.19Å; T116-T119 WeakPolarHBondContact O-CB 3.31Å; T116-T119 PolarHBondContact O-N 3.34Å; T116-T119 VanDerWaalsContact O-N 3.15Å; T116-T119 PolarHBondContact O-OG1 2.92Å; T116-T119 PolarHBondContact OG1-OG1 2.9Å
117R85.1Confident78.3Confident217 Ų21786 Ų8682%0.81944%0.437SS*.THydrogen-bonded Turntrans-55.1133.5174.1-74179.8179.1175.80.8110.2L163R117-L163 HydrophobicContact CB-CD2 4.3Å; R117-L163 HydrophobicContact CG-CD2 3.55Å
118G83.6Confident81.2Confident77 Ų7777 Ų7779%0.79440%0.399SS*.THydrogen-bonded Turntrans89.42.3-177.300000115.1T116 T120T116-G118 PolarHBondContact O-N 3.35Å; G118-T120 PolarHBondContact O-N 3.46Å
119T88.3Confident84.2Confident37 Ų3773 Ų7323%0.22738%0.377CS..  trans-67.2125.9171.2-56.90000109.9P115 T116 K123 F124 M127P115-T119 HydrophobicContact CB-CG2 3.89Å; T116-T119 PolarHBondContact N-OG1 3.19Å; T116-T119 WeakPolarHBondContact O-CB 3.31Å; T116-T119 PolarHBondContact O-N 3.34Å; T116-T119 VanDerWaalsContact O-N 3.15Å; T116-T119 PolarHBondContact O-OG1 2.92Å; T116-T119 PolarHBondContact OG1-OG1 2.9Å; T119-K123 HydrophobicContact CG2-CB 3.85Å; T119-K123 HydrophobicContact CG2-CG 3.98Å; T119-F124 HydrophobicContact CG2-CB 4.34Å; T119-M127 HydrophobicContact CG2-SD 4.24Å
120T90.6Very high86.5Confident90 Ų9070.4 Ų70.455%0.55237%0.369SS*.  trans-77157.9175.564.30000111.2G118 Q122 K123 F124G118-T120 PolarHBondContact O-N 3.46Å; T120-Q122 PolarHBondContact O-N 2.8Å; T120-K123 PolarHBondContact O-N 2.7Å; T120-K123 WeakPolarHBondContact OG1-CB 3.45Å; T120-K123 PolarHBondContact OG1-N 2.95Å; T120-F124 PolarHBondContact O-N 3.41Å
121V90.1Very high88.1Confident76 Ų7668 Ų6846%0.46135%0.354SS..Hα-helixtrans-56.3-40.8176.5-179.60000111.4K123 F124 K125V121-K123 VanDerWaalsContact C-N 3.34Å; V121-K123 PolarHBondContact O-N 3.35Å; V121-F124 WeakPolarHBondContact O-CB 3.01Å; V121-F124 PolarHBondContact O-N 3.43Å; V121-K125 PolarHBondContact O-N 3.4Å
122Q91.8Very high89.4Confident117 Ų11767 Ų6755%0.54735%0.349SS..Hα-helixtrans-63.3-40.4176.3-17461.319.500112T120 F124 K125 E126T120-Q122 PolarHBondContact O-N 2.8Å; Q122-F124 VanDerWaalsContact C-N 3.35Å; Q122-K125 WeakPolarHBondContact O-CB 3.08Å; Q122-K125 PolarHBondContact O-N 2.92Å; Q122-E126 PolarHBondContact O-N 3.41Å; Q122-E126 VanDerWaalsContact O-N 3.09Å
123K92.9Very high90.2Very high104 Ų10470.8 Ų70.845%0.45237%0.365SS..Hα-helixtrans-68-38.4177-171.266.5-169.9167.90111.7T119 T120 V121 K125 E126 M127T119-K123 HydrophobicContact CG2-CB 3.85Å; T119-K123 HydrophobicContact CG2-CG 3.98Å; T120-K123 PolarHBondContact O-N 2.7Å; T120-K123 WeakPolarHBondContact OG1-CB 3.45Å; T120-K123 PolarHBondContact OG1-N 2.95Å; V121-K123 VanDerWaalsContact C-N 3.34Å; V121-K123 PolarHBondContact O-N 3.35Å; K123-K125 VanDerWaalsContact C-N 3.34Å; K123-E126 WeakPolarHBondContact CD-OE2 3.35Å; K123-E126 IonicContact NZ-OE2 2.8Å; K123-E126 PolarHBondContact NZ-OE2 2.94Å; K123-E126 WeakPolarHBondContact O-CB 3.41Å; K123-E126 PolarHBondContact O-N 2.95Å; K123-M127 WeakPolarHBondContact O-CG 3.1Å; K123-M127 PolarHBondContact O-N 3.28Å
124F93.6Very high90.7Very high4 Ų469.5 Ų69.52%0.01837%0.368CS..Hα-helixtrans-61.1-43.4173-179.8-118.8000111.3P115 T119 T120 V121 Q122 E126 M127 V128 L150 V161 A166 A169 W170P115-F124 HydrophobicContact CB-CD2 4.4Å; P115-F124 HydrophobicContact CG-CD2 3.93Å; P115-F124 HydrophobicContact CG-CE2 4.25Å; T119-F124 HydrophobicContact CG2-CB 4.34Å; T120-F124 PolarHBondContact O-N 3.41Å; V121-F124 WeakPolarHBondContact O-CB 3.01Å; V121-F124 PolarHBondContact O-N 3.43Å; Q122-F124 VanDerWaalsContact C-N 3.35Å; F124-E126 VanDerWaalsContact C-N 3.33Å; F124-E126 PolarHBondContact O-N 3.23Å; F124-M127 WeakPolarHBondContact O-CA 3.33Å; F124-M127 WeakPolarHBondContact O-CB 3.31Å; F124-M127 PolarHBondContact O-N 2.89Å; F124-V128 HydrophobicContact CD1-CG2 4.38Å; F124-V128 HydrophobicContact CD2-CG2 4.22Å; F124-V128 HydrophobicContact CE1-CG2 3.99Å; F124-V128 HydrophobicContact CE2-CG2 3.82Å; F124-V128 HydrophobicContact CG-CG2 4.49Å; F124-V128 HydrophobicContact CZ-CG2 3.69Å; F124-V128 WeakPolarHBondContact O-CG2 3.35Å; F124-V128 PolarHBondContact O-N 3.05Å; F124-L150 HydrophobicContact CD1-CD2 3.69Å; F124-L150 HydrophobicContact CE1-CD2 3.78Å; F124-V161 HydrophobicContact CE1-CG1 4.32Å; F124-A166 HydrophobicContact CD1-CB 4.17Å; F124-A166 HydrophobicContact CD2-CB 4.07Å; F124-A166 HydrophobicContact CE1-CB 4.04Å; F124-A166 HydrophobicContact CE2-CB 3.93Å; F124-A166 WeakPolarHBondContact CE2-O 3.42Å; F124-A166 HydrophobicContact CG-CB 4.19Å; F124-A166 HydrophobicContact CZ-CB 3.92Å; F124-A166 WeakPolarHBondContact CZ-O 3.08Å; F124-A169 HydrophobicContact CZ-CB 4.25Å; F124-W170 HydrophobicContact CE2-CB 4.35Å; F124-W170 HydrophobicContact CE2-CE3 4.16Å
125K94.6Very high91Very high58 Ų5864.7 Ų64.725%0.25235%0.347SS..Hα-helixtrans-54.8-46.1173.8-170.1176.1-1741630112.4V121 Q122 K123 V128 Y129 V146 N147 L150V121-K125 PolarHBondContact O-N 3.4Å; Q122-K125 WeakPolarHBondContact O-CB 3.08Å; Q122-K125 PolarHBondContact O-N 2.92Å; K123-K125 VanDerWaalsContact C-N 3.34Å; K125-V128 PolarHBondContact O-N 3.2Å; K125-Y129 WeakPolarHBondContact O-CB 3.35Å; K125-Y129 PolarHBondContact O-N 3.32Å; K125-V146 HydrophobicContact CB-CG1 4.49Å; K125-V146 HydrophobicContact CD-CG1 4.41Å; K125-V146 HydrophobicContact CG-CG1 3.5Å; K125-V146 VanDerWaalsContact CG-CG1 3.5Å; K125-N147 WeakPolarHBondContact CE-OD1 3.18Å; K125-N147 PolarHBondContact NZ-OD1 2.91Å; K125-L150 HydrophobicContact CB-CD1 4.33Å; K125-L150 HydrophobicContact CD-CD1 4.14Å; K125-L150 HydrophobicContact CG-CD1 4.04Å
126E94.1Very high91.2Very high91 Ų9164.8 Ų64.843%0.42535%0.348SS..Hα-helixtrans-63.1-39.8174.8-68.9171-168.600112.4Q122 K123 F124 Y129 S130Q122-E126 PolarHBondContact O-N 3.41Å; Q122-E126 VanDerWaalsContact O-N 3.09Å; K123-E126 WeakPolarHBondContact CD-OE2 3.35Å; K123-E126 IonicContact NZ-OE2 2.8Å; K123-E126 PolarHBondContact NZ-OE2 2.94Å; K123-E126 WeakPolarHBondContact O-CB 3.41Å; K123-E126 PolarHBondContact O-N 2.95Å; F124-E126 VanDerWaalsContact C-N 3.33Å; F124-E126 PolarHBondContact O-N 3.23Å; E126-Y129 PolarHBondContact O-N 2.85Å; E126-S130 WeakPolarHBondContact O-CB 3.24Å; E126-S130 PolarHBondContact O-N 3.43Å; E126-S130 PolarHBondContact O-OG 3.4Å
127M93.8Very high91.2Very high38 Ų3861 Ų6119%0.18733%0.327CS..Hα-helixtrans-62.1-46.9176.4-71.1176.160.200110.9K114 P115 T119 K123 F124 S130 L131 W170K114-M127 HydrophobicContact CB-CE 4.43Å; P115-M127 HydrophobicContact CB-CE 4.19Å; P115-M127 HydrophobicContact CB-SD 4.21Å; T119-M127 HydrophobicContact CG2-SD 4.24Å; K123-M127 WeakPolarHBondContact O-CG 3.1Å; K123-M127 PolarHBondContact O-N 3.28Å; F124-M127 WeakPolarHBondContact O-CA 3.33Å; F124-M127 WeakPolarHBondContact O-CB 3.31Å; F124-M127 PolarHBondContact O-N 2.89Å; M127-S130 PolarHBondContact O-N 2.81Å; M127-S130 PolarHBondContact O-OG 2.94Å; M127-L131 PolarHBondContact O-N 3.33Å; M127-W170 HydrophobicContact CB-CH2 4.21Å; M127-W170 HydrophobicContact CB-CZ3 3.79Å; M127-W170 HydrophobicContact CE-CE3 4.48Å; M127-W170 HydrophobicContact CE-CH2 4.25Å; M127-W170 HydrophobicContact CE-CZ2 4.44Å; M127-W170 HydrophobicContact CE-CZ3 4.28Å
128V94.3Very high91.2Very high0 Ų056.2 Ų56.20%032%0.317CS..Hα-helixtrans-63.4-43.4177.6178.50000110.6F124 K125 S130 L131 F132 V146 I149 W170 L173F124-V128 HydrophobicContact CD1-CG2 4.38Å; F124-V128 HydrophobicContact CD2-CG2 4.22Å; F124-V128 HydrophobicContact CE1-CG2 3.99Å; F124-V128 HydrophobicContact CE2-CG2 3.82Å; F124-V128 HydrophobicContact CG-CG2 4.49Å; F124-V128 HydrophobicContact CZ-CG2 3.69Å; F124-V128 WeakPolarHBondContact O-CG2 3.35Å; F124-V128 PolarHBondContact O-N 3.05Å; K125-V128 PolarHBondContact O-N 3.2Å; V128-S130 PolarHBondContact O-N 2.9Å; V128-L131 WeakPolarHBondContact O-CB 3.29Å; V128-L131 PolarHBondContact O-N 2.79Å; V128-F132 HydrophobicContact CG1-CD2 3.96Å; V128-F132 HydrophobicContact CG1-CE1 4.46Å; V128-F132 HydrophobicContact CG1-CE2 3.38Å; V128-F132 HydrophobicContact CG1-CZ 3.66Å; V128-F132 PolarHBondContact O-N 3.19Å; V128-V146 HydrophobicContact CB-CG1 4.35Å; V128-V146 HydrophobicContact CG1-CG1 4.25Å; V128-V146 HydrophobicContact CG1-CG2 4.09Å; V128-I149 HydrophobicContact CG1-CG2 4.23Å; V128-W170 HydrophobicContact CG2-CE3 4.42Å; V128-W170 HydrophobicContact CG2-CZ3 4.45Å; V128-L173 HydrophobicContact CG1-CD1 3.89Å; V128-L173 HydrophobicContact CG2-CD1 4.08Å
129Y95.1Very high91.2Very high90 Ų9055.3 Ų55.335%0.35329%0.292SS..Hα-helixtrans-58.1-47.2175.2-173.7-86.7000112.1K125 E126 L131 F132 K133 L142 V146K125-Y129 WeakPolarHBondContact O-CB 3.35Å; K125-Y129 PolarHBondContact O-N 3.32Å; E126-Y129 PolarHBondContact O-N 2.85Å; Y129-L131 VanDerWaalsContact C-N 3.34Å; Y129-L131 PolarHBondContact O-N 2.77Å; Y129-F132 PolarHBondContact O-N 3.04Å; Y129-K133 HydrophobicContact CE1-CD 4.42Å; Y129-K133 WeakPolarHBondContact O-CB 3.49Å; Y129-K133 PolarHBondContact O-N 3.27Å; Y129-L142 HydrophobicContact CD2-CB 4.17Å; Y129-L142 HydrophobicContact CE2-CB 3.69Å; Y129-L142 HydrophobicContact CE2-CD1 4.4Å; Y129-V146 HydrophobicContact CD2-CG2 4.09Å
130S93.4Very high90.6Very high68 Ų6857.2 Ų57.248%0.47632%0.32SS..Hα-helixtrans-65.9-35178.463.80000112.9E126 M127 V128 K133 A134E126-S130 WeakPolarHBondContact O-CB 3.24Å; E126-S130 PolarHBondContact O-N 3.43Å; E126-S130 PolarHBondContact O-OG 3.4Å; M127-S130 PolarHBondContact O-N 2.81Å; M127-S130 PolarHBondContact O-OG 2.94Å; V128-S130 PolarHBondContact O-N 2.9Å; S130-K133 PolarHBondContact O-N 2.83Å; S130-A134 WeakPolarHBondContact O-CB 3.44Å; S130-A134 PolarHBondContact O-N 3.34Å
131L91.8Very high90.4Very high20 Ų2056 Ų5611%0.10531%0.31CS..Hα-helixtrans-61.6-45.7171.9179.265.3000111M127 V128 Y129 A134 K135 W170 L173M127-L131 PolarHBondContact O-N 3.33Å; V128-L131 WeakPolarHBondContact O-CB 3.29Å; V128-L131 PolarHBondContact O-N 2.79Å; Y129-L131 VanDerWaalsContact C-N 3.34Å; Y129-L131 PolarHBondContact O-N 2.77Å; L131-A134 PolarHBondContact O-N 2.79Å; L131-K135 HydrophobicContact CD1-CD 4.36Å; L131-K135 HydrophobicContact CD1-CG 4.29Å; L131-K135 HydrophobicContact CG-CD 4.48Å; L131-K135 WeakPolarHBondContact O-CB 3.49Å; L131-K135 WeakPolarHBondContact O-CG 3.23Å; L131-K135 PolarHBondContact O-N 2.83Å; L131-W170 HydrophobicContact CB-CH2 3.89Å; L131-W170 HydrophobicContact CB-CZ3 4.07Å; L131-W170 HydrophobicContact CD2-CE3 4.34Å; L131-W170 HydrophobicContact CD2-CH2 4.06Å; L131-W170 HydrophobicContact CD2-CZ2 4.46Å; L131-W170 HydrophobicContact CD2-CZ3 3.97Å; L131-W170 HydrophobicContact CG-CH2 4.38Å; L131-L173 HydrophobicContact CD2-CB 3.76Å; L131-L173 HydrophobicContact CD2-CD1 4.13Å
132F92.9Very high90.5Very high0 Ų052.5 Ų52.50%029%0.288CS..Hα-helixtrans-69-38.9177.9-65.4-26.3000113.1V128 Y129 A134 K135 L136 L142 L145 V146 I149 L173 L179V128-F132 HydrophobicContact CG1-CD2 3.96Å; V128-F132 HydrophobicContact CG1-CE1 4.46Å; V128-F132 HydrophobicContact CG1-CE2 3.38Å; V128-F132 HydrophobicContact CG1-CZ 3.66Å; V128-F132 PolarHBondContact O-N 3.19Å; Y129-F132 PolarHBondContact O-N 3.04Å; F132-A134 VanDerWaalsContact C-N 3.27Å; F132-A134 PolarHBondContact O-N 3.45Å; F132-K135 PolarHBondContact O-N 3.11Å; F132-K135 VanDerWaalsContact O-N 3.13Å; F132-L136 HydrophobicContact CB-CD1 4.28Å; F132-L136 WeakPolarHBondContact O-CB 3.42Å; F132-L136 PolarHBondContact O-N 3.11Å; F132-L142 HydrophobicContact CB-CD2 3.94Å; F132-L145 HydrophobicContact CD1-CD2 4.5Å; F132-L145 HydrophobicContact CD2-CB 4.45Å; F132-L145 HydrophobicContact CD2-CD2 3.84Å; F132-L145 HydrophobicContact CD2-CG 3.96Å; F132-L145 HydrophobicContact CE2-CB 4.39Å; F132-L145 HydrophobicContact CE2-CD2 3.91Å; F132-L145 HydrophobicContact CE2-CG 3.65Å; F132-L145 HydrophobicContact CG-CD2 4.17Å; F132-L145 HydrophobicContact CZ-CD2 4.31Å; F132-L145 HydrophobicContact CZ-CG 4.21Å; F132-V146 HydrophobicContact CD2-CG2 3.74Å; F132-V146 HydrophobicContact CE2-CG2 4.03Å; F132-I149 HydrophobicContact CE2-CG1 4.12Å; F132-I149 HydrophobicContact CZ-CG1 3.85Å; F132-L173 HydrophobicContact CE1-CD1 4.4Å; F132-L173 HydrophobicContact CE1-CD2 3.8Å; F132-L173 HydrophobicContact CZ-CD1 4.18Å; F132-L173 HydrophobicContact CZ-CD2 3.65Å; F132-L179 HydrophobicContact CE1-CD1 3.79Å; F132-L179 HydrophobicContact CZ-CD1 4.12Å
133K92.4Very high90.5Very high88 Ų8850 Ų5038%0.38328%0.284SS..Hα-helixtrans-60.1-41.1173.3-173.8167.9-176143.60111.6Y129 S130 G137 D138 L142Y129-K133 HydrophobicContact CE1-CD 4.42Å; Y129-K133 WeakPolarHBondContact O-CB 3.49Å; Y129-K133 PolarHBondContact O-N 3.27Å; S130-K133 PolarHBondContact O-N 2.83Å; K133-G137 CarbonylContact O-C 3.54Å; K133-G137 VanDerWaalsContact O-CA 3.27Å; K133-G137 WeakPolarHBondContact O-CA 3.45Å; K133-G137 PolarHBondContact O-N 2.89Å; K133-G137 VanDerWaalsContact O-N 3.1Å; K133-D138 WeakPolarHBondContact CE-OD1 3.24Å; K133-D138 IonicContact NZ-OD1 2.73Å; K133-D138 PolarHBondContact NZ-OD1 2.9Å; K133-D138 IonicContact NZ-OD2 2.65Å; K133-D138 PolarHBondContact NZ-OD2 3.14Å; K133-D138 VanDerWaalsContact NZ-OD2 3.09Å; K133-L142 HydrophobicContact CB-CD1 4.2Å
134A89.7Confident90.5Very high69 Ų6950.5 Ų50.557%0.5729%0.288SS*.Hα-helixtrans-66.6-40.3174.500000111.9S130 L131 F132 N296S130-A134 WeakPolarHBondContact O-CB 3.44Å; S130-A134 PolarHBondContact O-N 3.34Å; L131-A134 PolarHBondContact O-N 2.79Å; F132-A134 VanDerWaalsContact C-N 3.27Å; F132-A134 PolarHBondContact O-N 3.45Å; A134-N296 PolarHBondContact O-OD1 2.89Å
135K89.5Confident90.4Very high19 Ų1950.3 Ų50.38%0.08329%0.287CS..Hα-helixtrans-77.7-41.2-175.7-77.6-163.5165.9-162.80114.7L131 F132 L173 Q174 N176 P293 N296L131-K135 HydrophobicContact CD1-CD 4.36Å; L131-K135 HydrophobicContact CD1-CG 4.29Å; L131-K135 HydrophobicContact CG-CD 4.48Å; L131-K135 WeakPolarHBondContact O-CB 3.49Å; L131-K135 WeakPolarHBondContact O-CG 3.23Å; L131-K135 PolarHBondContact O-N 2.83Å; F132-K135 PolarHBondContact O-N 3.11Å; F132-K135 VanDerWaalsContact O-N 3.13Å; K135-L173 PolarHBondContact NZ-O 3.45Å; K135-Q174 PolarHBondContact NZ-O 2.87Å; K135-N176 PolarHBondContact NZ-OD1 3.36Å; K135-P293 WeakPolarHBondContact O-CB 3.28Å; K135-P293 WeakPolarHBondContact O-CG 3.28Å; K135-N296 WeakPolarHBondContact CA-ND2 3.41Å; K135-N296 WeakPolarHBondContact CA-OD1 3.21Å; K135-N296 WeakPolarHBondContact CB-ND2 3.45Å; K135-N296 WeakPolarHBondContact CG-ND2 3.45Å; K135-N296 PolarHBondContact O-ND2 3.26Å; K135-N296 PolarHBondContact O-OD1 2.9Å; K135-N296 VanDerWaalsContact O-OD1 3.13Å
136L89.9Confident90.4Very high4 Ų447.6 Ų47.62%0.02128%0.275CS..Hα-helixtrans-112.7-6-166.3-54.6177.2000112.6F132 Q139 L142 L145 L179 F265 P293F132-L136 HydrophobicContact CB-CD1 4.28Å; F132-L136 WeakPolarHBondContact O-CB 3.42Å; F132-L136 PolarHBondContact O-N 3.11Å; L136-Q139 HydrophobicContact CB-CG 4.28Å; L136-Q139 PolarHBondContact O-NE2 2.89Å; L136-L142 HydrophobicContact CB-CD2 4.43Å; L136-L142 HydrophobicContact CD1-CD2 4.02Å; L136-L145 HydrophobicContact CD1-CD2 3.76Å; L136-L179 HydrophobicContact CD2-CD2 4.36Å; L136-F265 HydrophobicContact CD2-CE1 3.92Å; L136-F265 HydrophobicContact CD2-CZ 3.61Å; L136-P293 HydrophobicContact CD2-CB 3.86Å; L136-P293 HydrophobicContact CD2-CG 3.59Å
137G87.1Confident90.4Very high13 Ų1346.5 Ų46.513%0.13427%0.273CS..  trans77.1-167.3-170.500000112.7K133 Q139K133-G137 CarbonylContact O-C 3.54Å; K133-G137 VanDerWaalsContact O-CA 3.27Å; K133-G137 WeakPolarHBondContact O-CA 3.45Å; K133-G137 PolarHBondContact O-N 2.89Å; K133-G137 VanDerWaalsContact O-N 3.1Å; G137-Q139 PolarHBondContact O-N 2.01Å
138D84.9Confident90.4Very high117 Ų11746.7 Ų46.763%0.62627%0.274SS*.SBendtrans-84.988.6-179-14213.8000110K133K133-D138 WeakPolarHBondContact CE-OD1 3.24Å; K133-D138 IonicContact NZ-OD1 2.73Å; K133-D138 PolarHBondContact NZ-OD1 2.9Å; K133-D138 IonicContact NZ-OD2 2.65Å; K133-D138 PolarHBondContact NZ-OD2 3.14Å; K133-D138 VanDerWaalsContact NZ-OD2 3.09Å
139Q83.7Confident90.4Very high58 Ų5846.8 Ų46.827%0.27128%0.275SS..  trans-99.1143.7177.6-52.9-63.9-28.300110.5L136 G137 N141 L142L136-Q139 HydrophobicContact CB-CG 4.28Å; L136-Q139 PolarHBondContact O-NE2 2.89Å; G137-Q139 PolarHBondContact O-N 2.01Å; Q139-N141 VanDerWaalsContact C-N 3.28Å; Q139-N141 PolarHBondContact O-N 3.1Å; Q139-L142 HydrophobicContact CB-CD2 3.93Å; Q139-L142 HydrophobicContact CB-CG 3.91Å; Q139-L142 HydrophobicContact CG-CD2 4.34Å; Q139-L142 WeakPolarHBondContact O-CG 3.47Å
140G76.8Confident90.3Very high78 Ų7843.8 Ų43.880%0.80426%0.264SS*.THydrogen-bonded Turntrans-64.3-30.1-178.700000114.1
141N86.9Confident90.3Very high65 Ų6545.4 Ų45.435%0.34827%0.272SS..THydrogen-bonded Turntrans-100.313.6-170.5-59.4-18.1000113.8Q139 S143 E144 L145 Y262Q139-N141 VanDerWaalsContact C-N 3.28Å; Q139-N141 PolarHBondContact O-N 3.1Å; N141-S143 PolarHBondContact O-N 2.96Å; N141-E144 PolarHBondContact O-N 2.65Å; N141-E144 VanDerWaalsContact O-N 3.12Å; N141-L145 PolarHBondContact O-N 3.41Å; N141-Y262 HydrophobicContact CB-CD1 4.18Å; N141-Y262 HydrophobicContact CB-CE1 3.87Å; N141-Y262 WeakPolarHBondContact O-CE1 3.23Å
142L90.6Very high90.4Very high1 Ų146 Ų461%0.00528%0.276CS..Hα-helixtrans-58.5-33.9-177.7-69.1-177.6000113.1Y129 F132 K133 L136 Q139 E144 L145 V146Y129-L142 HydrophobicContact CD2-CB 4.17Å; Y129-L142 HydrophobicContact CE2-CB 3.69Å; Y129-L142 HydrophobicContact CE2-CD1 4.4Å; F132-L142 HydrophobicContact CB-CD2 3.94Å; K133-L142 HydrophobicContact CB-CD1 4.2Å; L136-L142 HydrophobicContact CB-CD2 4.43Å; L136-L142 HydrophobicContact CD1-CD2 4.02Å; Q139-L142 HydrophobicContact CB-CD2 3.93Å; Q139-L142 HydrophobicContact CB-CG 3.91Å; Q139-L142 HydrophobicContact CG-CD2 4.34Å; Q139-L142 WeakPolarHBondContact O-CG 3.47Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 3.31Å; L142-L145 PolarHBondContact O-N 2.8Å; L142-V146 VanDerWaalsContact O-CG2 3.27Å; L142-V146 WeakPolarHBondContact O-CG2 3.16Å; L142-V146 PolarHBondContact O-N 2.83Å
143S92.1Very high90.4Very high64 Ų6446.1 Ų46.145%0.44828%0.277SS..Hα-helixtrans-61.3-38.6178.8-171.60000112.4N141 V146 N147N141-S143 PolarHBondContact O-N 2.96Å; S143-V146 PolarHBondContact O-N 2.72Å; S143-N147 VanDerWaalsContact O-CG 3.3Å; S143-N147 PolarHBondContact O-N 3.14Å; S143-N147 VanDerWaalsContact O-N 3.07Å; S143-N147 PolarHBondContact O-ND2 2.95Å
144E92.6Very high90.4Very high116 Ų11643.1 Ų43.154%0.54227%0.265SS..Hα-helixtrans-67.3-43.7177.2-62.5179.9170.300111N141 L142 V146 N147 L148N141-E144 PolarHBondContact O-N 2.65Å; N141-E144 VanDerWaalsContact O-N 3.12Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 3.31Å; E144-V146 VanDerWaalsContact C-N 3.31Å; E144-V146 PolarHBondContact O-N 2.96Å; E144-N147 PolarHBondContact O-N 3.46Å; E144-N147 VanDerWaalsContact O-N 3.14Å; E144-L148 PolarHBondContact O-N 2.76Å
145L92.9Very high90.3Very high0 Ų040.7 Ų40.70%025%0.246CC..Hα-helixtrans-61.5-40.3175.9-177.159000111.9F132 L136 N141 L142 N147 L148 I149 L179 I183 Y262F132-L145 HydrophobicContact CD1-CD2 4.5Å; F132-L145 HydrophobicContact CD2-CB 4.45Å; F132-L145 HydrophobicContact CD2-CD2 3.84Å; F132-L145 HydrophobicContact CD2-CG 3.96Å; F132-L145 HydrophobicContact CE2-CB 4.39Å; F132-L145 HydrophobicContact CE2-CD2 3.91Å; F132-L145 HydrophobicContact CE2-CG 3.65Å; F132-L145 HydrophobicContact CG-CD2 4.17Å; F132-L145 HydrophobicContact CZ-CD2 4.31Å; F132-L145 HydrophobicContact CZ-CG 4.21Å; L136-L145 HydrophobicContact CD1-CD2 3.76Å; N141-L145 PolarHBondContact O-N 3.41Å; L142-L145 PolarHBondContact O-N 2.8Å; L145-N147 VanDerWaalsContact C-N 3.34Å; L145-N147 PolarHBondContact O-N 3.41Å; L145-L148 HydrophobicContact CD1-CD2 4.42Å; L145-L148 PolarHBondContact O-N 3.13Å; L145-I149 HydrophobicContact CD1-CG1 4.39Å; L145-I149 WeakPolarHBondContact O-CB 3.22Å; L145-I149 VanDerWaalsContact O-CG1 3.22Å; L145-I149 WeakPolarHBondContact O-CG1 3.47Å; L145-I149 PolarHBondContact O-N 3.24Å; L145-L179 HydrophobicContact CD2-CD1 4.35Å; L145-I183 HydrophobicContact CD1-CD1 4.43Å; L145-I183 HydrophobicContact CD1-CG1 3.77Å; L145-I183 HydrophobicContact CD2-CD1 4.36Å; L145-Y262 HydrophobicContact CB-CD1 4.06Å; L145-Y262 HydrophobicContact CB-CE1 3.68Å; L145-Y262 HydrophobicContact CD1-CD2 4.48Å; L145-Y262 HydrophobicContact CD1-CE2 4.14Å; L145-Y262 HydrophobicContact CD2-CD1 4.14Å; L145-Y262 HydrophobicContact CD2-CD2 4.43Å; L145-Y262 HydrophobicContact CD2-CG 4.11Å; L145-Y262 HydrophobicContact CG-CE1 4.5Å
146V94.8Very high90.3Very high1 Ų144.7 Ų44.71%0.00627%0.269CS..Hα-helixtrans-61.5-43.6174.5174.90000110.9K125 V128 Y129 F132 L142 S143 E144 I149 L150K125-V146 HydrophobicContact CB-CG1 4.49Å; K125-V146 HydrophobicContact CD-CG1 4.41Å; K125-V146 HydrophobicContact CG-CG1 3.5Å; K125-V146 VanDerWaalsContact CG-CG1 3.5Å; V128-V146 HydrophobicContact CB-CG1 4.35Å; V128-V146 HydrophobicContact CG1-CG1 4.25Å; V128-V146 HydrophobicContact CG1-CG2 4.09Å; Y129-V146 HydrophobicContact CD2-CG2 4.09Å; F132-V146 HydrophobicContact CD2-CG2 3.74Å; F132-V146 HydrophobicContact CE2-CG2 4.03Å; L142-V146 VanDerWaalsContact O-CG2 3.27Å; L142-V146 WeakPolarHBondContact O-CG2 3.16Å; L142-V146 PolarHBondContact O-N 2.83Å; S143-V146 PolarHBondContact O-N 2.72Å; E144-V146 VanDerWaalsContact C-N 3.31Å; E144-V146 PolarHBondContact O-N 2.96Å; V146-I149 PolarHBondContact O-N 2.91Å; V146-L150 HydrophobicContact CG1-CD1 4.28Å; V146-L150 WeakPolarHBondContact O-CG 3.39Å; V146-L150 PolarHBondContact O-N 3.36Å
147N93.6Very high90.4Very high68 Ų6853.2 Ų53.236%0.36431%0.305SS..Hα-helixtrans-64.8-43.2177.8-66.1-27.3000111.6K125 S143 E144 L145 I149 L150 T151K125-N147 WeakPolarHBondContact CE-OD1 3.18Å; K125-N147 PolarHBondContact NZ-OD1 2.91Å; S143-N147 VanDerWaalsContact O-CG 3.3Å; S143-N147 PolarHBondContact O-N 3.14Å; S143-N147 VanDerWaalsContact O-N 3.07Å; S143-N147 PolarHBondContact O-ND2 2.95Å; E144-N147 PolarHBondContact O-N 3.46Å; E144-N147 VanDerWaalsContact O-N 3.14Å; L145-N147 VanDerWaalsContact C-N 3.34Å; L145-N147 PolarHBondContact O-N 3.41Å; N147-I149 VanDerWaalsContact C-N 3.26Å; N147-I149 PolarHBondContact O-N 2.87Å; N147-L150 PolarHBondContact O-N 2.98Å; N147-T151 PolarHBondContact O-N 3.44Å; N147-T151 PolarHBondContact O-OG1 3.34Å
148L92.9Very high90.5Very high41 Ų4156.7 Ų56.722%0.21532%0.321CS..Hα-helixtrans-56.3-43.2175.2177.661.4000111.4E144 L145 T151 V152 V182E144-L148 PolarHBondContact O-N 2.76Å; L145-L148 HydrophobicContact CD1-CD2 4.42Å; L145-L148 PolarHBondContact O-N 3.13Å; L148-T151 WeakPolarHBondContact O-CB 3.49Å; L148-T151 PolarHBondContact O-N 2.92Å; L148-V152 WeakPolarHBondContact O-CG2 3.27Å; L148-V152 PolarHBondContact O-N 3.14Å; L148-V182 HydrophobicContact CD2-CG1 3.57Å; L148-V182 HydrophobicContact CG-CG1 3.71Å
149I94.3Very high90.8Very high3 Ų354.2 Ų54.22%0.01532%0.323CS..Hα-helixtrans-70.3-34.8179.6-69.3-72.3000112.4V128 F132 L145 V146 N147 T151 V152 A153 L173 V182V128-I149 HydrophobicContact CG1-CG2 4.23Å; F132-I149 HydrophobicContact CE2-CG1 4.12Å; F132-I149 HydrophobicContact CZ-CG1 3.85Å; L145-I149 HydrophobicContact CD1-CG1 4.39Å; L145-I149 WeakPolarHBondContact O-CB 3.22Å; L145-I149 VanDerWaalsContact O-CG1 3.22Å; L145-I149 WeakPolarHBondContact O-CG1 3.47Å; L145-I149 PolarHBondContact O-N 3.24Å; V146-I149 PolarHBondContact O-N 2.91Å; N147-I149 VanDerWaalsContact C-N 3.26Å; N147-I149 PolarHBondContact O-N 2.87Å; I149-T151 VanDerWaalsContact C-N 3.3Å; I149-V152 PolarHBondContact O-N 3.48Å; I149-A153 VanDerWaalsContact O-CB 3.25Å; I149-A153 WeakPolarHBondContact O-CB 3.42Å; I149-A153 PolarHBondContact O-N 3.15Å; I149-L173 HydrophobicContact CD1-CD2 3.72Å; I149-L173 HydrophobicContact CG1-CD2 4.21Å; I149-L173 HydrophobicContact CG2-CD1 3.93Å; I149-L173 HydrophobicContact CG2-CD2 3.96Å; I149-L173 HydrophobicContact CG2-CG 4.3Å; I149-V182 HydrophobicContact CD1-CB 4.04Å; I149-V182 HydrophobicContact CD1-CG1 3.66Å; I149-V182 HydrophobicContact CD1-CG2 4.03Å; I149-V182 HydrophobicContact CG1-CG1 4.47Å
150L93.5Very high91.1Very high26 Ų2657.7 Ų57.714%0.13634%0.34CS..Hα-helixtrans-63.6-38.8171.7-70.1171.3000111.2F124 K125 V146 N147 A153 D154 V161F124-L150 HydrophobicContact CD1-CD2 3.69Å; F124-L150 HydrophobicContact CE1-CD2 3.78Å; K125-L150 HydrophobicContact CB-CD1 4.33Å; K125-L150 HydrophobicContact CD-CD1 4.14Å; K125-L150 HydrophobicContact CG-CD1 4.04Å; V146-L150 HydrophobicContact CG1-CD1 4.28Å; V146-L150 WeakPolarHBondContact O-CG 3.39Å; V146-L150 PolarHBondContact O-N 3.36Å; N147-L150 PolarHBondContact O-N 2.98Å; L150-A153 PolarHBondContact O-N 3.29Å; L150-D154 PolarHBondContact O-N 3.43Å; L150-D154 VanDerWaalsContact O-N 3.07Å; L150-V161 HydrophobicContact CD2-CG2 4.24Å
151T93.8Very high91.8Very high103 Ų10355.1 Ų55.163%0.63231%0.308SS*.Hα-helixtrans-66.3-35.3174.1-55.10000112.7N147 L148 I149N147-T151 PolarHBondContact O-N 3.44Å; N147-T151 PolarHBondContact O-OG1 3.34Å; L148-T151 WeakPolarHBondContact O-CB 3.49Å; L148-T151 PolarHBondContact O-N 2.92Å; I149-T151 VanDerWaalsContact C-N 3.3Å
152V92.9Very high92.1Very high33 Ų3354.3 Ų54.320%0.231%0.308CS..Hα-helixtrans-74-32.3174.4173.50000111.7L148 I149 F178 V182 L193 F196L148-V152 WeakPolarHBondContact O-CG2 3.27Å; L148-V152 PolarHBondContact O-N 3.14Å; I149-V152 PolarHBondContact O-N 3.48Å; V152-F178 HydrophobicContact CG1-CZ 4.02Å; V152-V182 HydrophobicContact CG1-CG2 4.46Å; V152-V182 HydrophobicContact CG2-CG1 4.2Å; V152-V182 HydrophobicContact CG2-CG2 4.48Å; V152-L193 HydrophobicContact CG1-CD2 4.5Å; V152-F196 HydrophobicContact CG1-CE1 4.13Å; V152-F196 WeakPolarHBondContact O-CE1 3.24Å; V152-F196 WeakPolarHBondContact O-CZ 3.04Å
153A93.3Very high92.3Very high1 Ų157.1 Ų57.11%0.00832%0.322CS..Hα-helixtrans-70.6-36179.600000112.6I149 L150 G155 V161 E165 A169I149-A153 VanDerWaalsContact O-CB 3.25Å; I149-A153 WeakPolarHBondContact O-CB 3.42Å; I149-A153 PolarHBondContact O-N 3.15Å; L150-A153 PolarHBondContact O-N 3.29Å; A153-G155 VanDerWaalsContact C-N 3.28Å; A153-G155 PolarHBondContact O-N 2.82Å; A153-V161 HydrophobicContact CB-CG1 4.21Å; A153-V161 HydrophobicContact CB-CG2 4.49Å; A153-E165 WeakPolarHBondContact O-CB 3.46Å; A153-E165 WeakPolarHBondContact O-CG 3.4Å; A153-A169 HydrophobicContact CB-CB 3.62Å
154D92.9Very high92.3Very high26 Ų2654.4 Ų54.414%0.13930%0.304CS..  trans-67.684171.1178.25.1000109.7L150 K157 D158 G159 V161L150-D154 PolarHBondContact O-N 3.43Å; L150-D154 VanDerWaalsContact O-N 3.07Å; D154-K157 WeakPolarHBondContact OD1-CA 3.49Å; D154-K157 PolarHBondContact OD1-N 3.42Å; D154-D158 PolarHBondContact OD1-N 3.2Å; D154-D158 VanDerWaalsContact OD1-N 3.1Å; D154-G159 WeakPolarHBondContact OD2-CA 3.37Å; D154-G159 PolarHBondContact OD2-N 2.87Å; D154-V161 HydrophobicContact CB-CG2 4.43Å
155G87.7Confident92.4Very high17 Ų1749 Ų4918%0.17528%0.279CS..SBendtrans-81.6-30.6-170.500000112.7A153 E165A153-G155 VanDerWaalsContact C-N 3.28Å; A153-G155 PolarHBondContact O-N 2.82Å; G155-E165 PolarHBondContact N-OE1 3.36Å
156D89.6Confident92.5Very high103 Ų10349.2 Ų49.255%0.55128%0.281SS*.SBendtrans-87.6-9.7176.173.50.4000113.4D158 E165D156-D158 VanDerWaalsContact C-N 3.32Å; D156-D158 WeakPolarHBondContact OD1-CB 3.48Å; D156-D158 PolarHBondContact OD1-N 3.49Å; D156-E165 PolarHBondContact N-OE1 3.15Å
157K90.9Very high92.4Very high183 Ų18350.2 Ų50.280%0.79629%0.285SS*.  trans65.333.1176.9-55176.4-178.9175.90112.4D154 G159D154-K157 WeakPolarHBondContact OD1-CA 3.49Å; D154-K157 PolarHBondContact OD1-N 3.42Å; K157-G159 VanDerWaalsContact C-N 3.27Å
158D90.5Very high92.5Very high86 Ų8647 Ų4746%0.4627%0.268SS..SBendtrans-82.4-5.4176.287.1-13.9000113.1D154 D156 Q160D154-D158 PolarHBondContact OD1-N 3.2Å; D154-D158 VanDerWaalsContact OD1-N 3.1Å; D156-D158 VanDerWaalsContact C-N 3.32Å; D156-D158 WeakPolarHBondContact OD1-CB 3.48Å; D156-D158 PolarHBondContact OD1-N 3.49Å; D158-Q160 VanDerWaalsContact C-N 3.31Å; D158-Q160 VanDerWaalsContact OD1-CA 3.31Å; D158-Q160 WeakPolarHBondContact OD1-CA 3.37Å; D158-Q160 WeakPolarHBondContact OD1-CB 3.35Å; D158-Q160 PolarHBondContact OD1-N 3.13Å
159G89.4Confident92.5Very high65 Ų6545.3 Ų45.367%0.6726%0.26SS*.SBendtrans83.83.9-179.400000113.8D154 K157D154-G159 WeakPolarHBondContact OD2-CA 3.37Å; D154-G159 PolarHBondContact OD2-N 2.87Å; K157-G159 VanDerWaalsContact C-N 3.27Å
160Q90.1Very high92.5Very high132 Ų13246.7 Ų46.762%0.61727%0.265SS*.SBendtrans-120.8164.3176.6-62.9178.388.300109.7D158D158-Q160 VanDerWaalsContact C-N 3.31Å; D158-Q160 VanDerWaalsContact OD1-CA 3.31Å; D158-Q160 WeakPolarHBondContact OD1-CA 3.37Å; D158-Q160 WeakPolarHBondContact OD1-CB 3.35Å; D158-Q160 PolarHBondContact OD1-N 3.13Å
161V93.3Very high92.4Very high23 Ų2345.4 Ų45.414%0.13926%0.258CS..  trans-120.1108.4175.4-1770000107.3F124 L150 A153 D154 E165 A166F124-V161 HydrophobicContact CE1-CG1 4.32Å; L150-V161 HydrophobicContact CD2-CG2 4.24Å; A153-V161 HydrophobicContact CB-CG1 4.21Å; A153-V161 HydrophobicContact CB-CG2 4.49Å; D154-V161 HydrophobicContact CB-CG2 4.43Å; V161-E165 HydrophobicContact CG1-CB 3.97Å; V161-A166 HydrophobicContact CG1-CB 3.94Å
162S93.4Very high92.3Very high49 Ų4940.5 Ų40.534%0.34323%0.228SC..  trans-67.8167.8175.472.40000111.6G164 E165 A166S162-G164 VanDerWaalsContact C-N 3.32Å; S162-G164 PolarHBondContact O-N 2.76Å; S162-E165 VanDerWaalsContact CB-OE2 3.3Å; S162-E165 WeakPolarHBondContact CB-OE2 2.92Å; S162-E165 PolarHBondContact N-OE2 3.47Å; S162-E165 PolarHBondContact O-N 2.85Å; S162-E165 WeakPolarHBondContact OG-CB 3.31Å; S162-E165 VanDerWaalsContact OG-CG 3.26Å; S162-E165 WeakPolarHBondContact OG-CG 3.42Å; S162-E165 PolarHBondContact OG-N 2.99Å; S162-E165 PolarHBondContact OG-OE2 3.2Å; S162-A166 VanDerWaalsContact O-CB 3.32Å; S162-A166 WeakPolarHBondContact O-CB 3.08Å; S162-A166 PolarHBondContact O-N 3.07Å
163L92.9Very high92.2Very high59 Ų5939 Ų3931%0.30922%0.219SC..Hα-helixtrans-64-38177.1-177.966.1000112.2P115 R117 A166 K167P115-L163 HydrophobicContact CG-CD1 4.2Å; R117-L163 HydrophobicContact CB-CD2 4.3Å; R117-L163 HydrophobicContact CG-CD2 3.55Å; L163-A166 PolarHBondContact O-N 2.96Å; L163-K167 HydrophobicContact CG-CD 4.29Å; L163-K167 WeakPolarHBondContact O-CB 3.33Å; L163-K167 VanDerWaalsContact O-CG 3.29Å; L163-K167 WeakPolarHBondContact O-CG 3.48Å; L163-K167 PolarHBondContact O-N 3.18Å
164G92.9Very high92Very high7 Ų741.8 Ų41.87%0.07223%0.232CC..Hα-helixtrans-66.9-42.7179.800000111.8D48 S162 K167 S168D48-G164 PolarHBondContact N-O 3.13Å; S162-G164 VanDerWaalsContact C-N 3.32Å; S162-G164 PolarHBondContact O-N 2.76Å; G164-K167 PolarHBondContact O-N 3.39Å; G164-S168 WeakPolarHBondContact O-CB 3.48Å; G164-S168 PolarHBondContact O-N 3.48Å; G164-S168 PolarHBondContact O-OG 3.2Å
165E94.9Very high91.8Very high2 Ų241.4 Ų41.41%0.00923%0.23CC..Hα-helixtrans-63-47.3173-73.1170.4136.600111.8D48 A153 G155 D156 V161 S162 K167 S168 A169D48-E165 HydrophobicContact CB-CG 3.97Å; A153-E165 WeakPolarHBondContact O-CB 3.46Å; A153-E165 WeakPolarHBondContact O-CG 3.4Å; G155-E165 PolarHBondContact N-OE1 3.36Å; D156-E165 PolarHBondContact N-OE1 3.15Å; V161-E165 HydrophobicContact CG1-CB 3.97Å; S162-E165 VanDerWaalsContact CB-OE2 3.3Å; S162-E165 WeakPolarHBondContact CB-OE2 2.92Å; S162-E165 PolarHBondContact N-OE2 3.47Å; S162-E165 PolarHBondContact O-N 2.85Å; S162-E165 WeakPolarHBondContact OG-CB 3.31Å; S162-E165 VanDerWaalsContact OG-CG 3.26Å; S162-E165 WeakPolarHBondContact OG-CG 3.42Å; S162-E165 PolarHBondContact OG-N 2.99Å; S162-E165 PolarHBondContact OG-OE2 3.2Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.24Å; E165-S168 PolarHBondContact O-N 3.32Å; E165-S168 VanDerWaalsContact O-N 3.15Å; E165-A169 WeakPolarHBondContact O-CB 3.13Å; E165-A169 PolarHBondContact O-N 2.86Å
166A94.5Very high91.9Very high6 Ų641.9 Ų41.95%0.0523%0.228CC..Hα-helixtrans-60.6-39.2178.900000112.2P115 F124 V161 S162 L163 W170P115-A166 HydrophobicContact CG-CB 3.64Å; F124-A166 HydrophobicContact CD1-CB 4.17Å; F124-A166 HydrophobicContact CD2-CB 4.07Å; F124-A166 HydrophobicContact CE1-CB 4.04Å; F124-A166 HydrophobicContact CE2-CB 3.93Å; F124-A166 WeakPolarHBondContact CE2-O 3.42Å; F124-A166 HydrophobicContact CG-CB 4.19Å; F124-A166 HydrophobicContact CZ-CB 3.92Å; F124-A166 WeakPolarHBondContact CZ-O 3.08Å; V161-A166 HydrophobicContact CG1-CB 3.94Å; S162-A166 VanDerWaalsContact O-CB 3.32Å; S162-A166 WeakPolarHBondContact O-CB 3.08Å; S162-A166 PolarHBondContact O-N 3.07Å; L163-A166 PolarHBondContact O-N 2.96Å; A166-W170 VanDerWaalsContact O-CB 3.23Å; A166-W170 WeakPolarHBondContact O-CB 3.44Å; A166-W170 PolarHBondContact O-N 2.94Å
167K93.6Very high92Very high22 Ų2237.2 Ų37.210%0.09620%0.203CC..Hα-helixtrans-66.3-42.1175.1-77.7177.8168.3-137.80112.3V46 F112 P115 L163 G164 E165 W170 A171V46-K167 HydrophobicContact CG1-CD 4.39Å; V46-K167 WeakPolarHBondContact O-CD 3.23Å; F112-K167 WeakPolarHBondContact O-CD 3.5Å; F112-K167 VanDerWaalsContact O-CE 3.26Å; F112-K167 WeakPolarHBondContact O-CE 3.5Å; F112-K167 PolarHBondContact O-NZ 3.43Å; P115-K167 WeakPolarHBondContact O-CE 3.29Å; L163-K167 HydrophobicContact CG-CD 4.29Å; L163-K167 WeakPolarHBondContact O-CB 3.33Å; L163-K167 VanDerWaalsContact O-CG 3.29Å; L163-K167 WeakPolarHBondContact O-CG 3.48Å; L163-K167 PolarHBondContact O-N 3.18Å; G164-K167 PolarHBondContact O-N 3.39Å; E165-K167 VanDerWaalsContact C-N 3.3Å; E165-K167 PolarHBondContact O-N 3.24Å; K167-W170 PolarHBondContact O-N 2.83Å; K167-A171 WeakPolarHBondContact O-CB 3.25Å; K167-A171 PolarHBondContact O-N 3.09Å
168S94.2Very high92.1Very high0 Ų028.7 Ų28.70%017%0.166CC..Hα-helixtrans-67.5-47.4-180-53.70000110.9I47 D48 G164 E165 W170 A171 L172I47-S168 WeakPolarHBondContact CA-OG 2.96Å; I47-S168 WeakPolarHBondContact CB-OG 3.29Å; D48-S168 PolarHBondContact N-OG 2.96Å; D48-S168 WeakPolarHBondContact O-CB 3.15Å; D48-S168 PolarHBondContact O-OG 3.35Å; G164-S168 WeakPolarHBondContact O-CB 3.48Å; G164-S168 PolarHBondContact O-N 3.48Å; G164-S168 PolarHBondContact O-OG 3.2Å; E165-S168 PolarHBondContact O-N 3.32Å; E165-S168 VanDerWaalsContact O-N 3.15Å; S168-W170 PolarHBondContact O-N 2.9Å; S168-A171 PolarHBondContact O-N 3.47Å; S168-L172 WeakPolarHBondContact O-CG 3.4Å; S168-L172 PolarHBondContact O-N 2.83Å
169A94.5Very high92.2Very high5 Ų524.7 Ų24.74%0.04115%0.145CC..Hα-helixtrans-58-46.9172.600000111.4F124 A153 E165 A171 L172 L173F124-A169 HydrophobicContact CZ-CB 4.25Å; A153-A169 HydrophobicContact CB-CB 3.62Å; E165-A169 WeakPolarHBondContact O-CB 3.13Å; E165-A169 PolarHBondContact O-N 2.86Å; A169-A171 VanDerWaalsContact C-N 3.32Å; A169-A171 PolarHBondContact O-N 2.8Å; A169-L172 PolarHBondContact O-N 3.4Å; A169-L173 WeakPolarHBondContact O-CB 3.08Å; A169-L173 WeakPolarHBondContact O-CG 3.36Å; A169-L173 PolarHBondContact O-N 2.03Å
170W93.3Very high92.3Very high32 Ų3221.7 Ų21.712%0.12111%0.113CC..Hα-helixtrans-58.9-41.2178.7-174.5-94.8000113.2K114 F124 M127 V128 L131 A166 K167 S168 Q174K114-W170 HydrophobicContact CB-CG 4.28Å; K114-W170 HydrophobicContact CD-CZ2 4.45Å; F124-W170 HydrophobicContact CE2-CB 4.35Å; F124-W170 HydrophobicContact CE2-CE3 4.16Å; M127-W170 HydrophobicContact CB-CH2 4.21Å; M127-W170 HydrophobicContact CB-CZ3 3.79Å; M127-W170 HydrophobicContact CE-CE3 4.48Å; M127-W170 HydrophobicContact CE-CH2 4.25Å; M127-W170 HydrophobicContact CE-CZ2 4.44Å; M127-W170 HydrophobicContact CE-CZ3 4.28Å; V128-W170 HydrophobicContact CG2-CE3 4.42Å; V128-W170 HydrophobicContact CG2-CZ3 4.45Å; L131-W170 HydrophobicContact CB-CH2 3.89Å; L131-W170 HydrophobicContact CB-CZ3 4.07Å; L131-W170 HydrophobicContact CD2-CE3 4.34Å; L131-W170 HydrophobicContact CD2-CH2 4.06Å; L131-W170 HydrophobicContact CD2-CZ2 4.46Å; L131-W170 HydrophobicContact CD2-CZ3 3.97Å; L131-W170 HydrophobicContact CG-CH2 4.38Å; A166-W170 VanDerWaalsContact O-CB 3.23Å; A166-W170 WeakPolarHBondContact O-CB 3.44Å; A166-W170 PolarHBondContact O-N 2.94Å; K167-W170 PolarHBondContact O-N 2.83Å; S168-W170 PolarHBondContact O-N 2.9Å; W170-Q174 PolarHBondContact O-NE2 3.37Å
171A91.1Very high92.5Very high0 Ų015.5 Ų15.50%09%0.085CC..Hα-helixtrans-63.6-48.1175.500000111.5L111 F112 K167 S168 A169 L173 Q174 D199L111-A171 HydrophobicContact CD1-CB 4.22Å; L111-A171 HydrophobicContact CD2-CB 4.45Å; L111-A171 HydrophobicContact CG-CB 3.85Å; F112-A171 HydrophobicContact CD1-CB 3.96Å; F112-A171 HydrophobicContact CE1-CB 3.56Å; F112-A171 HydrophobicContact CZ-CB 4.3Å; K167-A171 WeakPolarHBondContact O-CB 3.25Å; K167-A171 PolarHBondContact O-N 3.09Å; S168-A171 PolarHBondContact O-N 3.47Å; A169-A171 VanDerWaalsContact C-N 3.32Å; A169-A171 PolarHBondContact O-N 2.8Å; A171-L173 VanDerWaalsContact C-N 3.34Å; A171-L173 PolarHBondContact O-N 2.78Å; A171-Q174 WeakPolarHBondContact O-CB 3.26Å; A171-Q174 PolarHBondContact O-N 2.85Å; A171-Q174 VanDerWaalsContact O-N 3.14Å; A171-D199 HydrophobicContact CB-CB 4.17Å
172L92.1Very high92.5Very high0 Ų014.6 Ų14.60%08%0.079CC..Hα-helixtrans-62.9-37.5179.2-71.4165.7000112.6S168 A169 Q174 L175 F178 F196 G198 Y201S168-L172 WeakPolarHBondContact O-CG 3.4Å; S168-L172 PolarHBondContact O-N 2.83Å; A169-L172 PolarHBondContact O-N 3.4Å; L172-Q174 PolarHBondContact O-N 3.08Å; L172-Q174 VanDerWaalsContact O-N 3.15Å; L172-L175 HydrophobicContact CD2-CD1 4.43Å; L172-L175 WeakPolarHBondContact O-CA 3.24Å; L172-L175 VanDerWaalsContact O-CB 3.24Å; L172-L175 WeakPolarHBondContact O-CB 3.35Å; L172-L175 PolarHBondContact O-N 3.04Å; L172-F178 HydrophobicContact CB-CB 4.48Å; L172-F178 HydrophobicContact CB-CD1 3.65Å; L172-F178 HydrophobicContact CB-CD2 3.99Å; L172-F178 HydrophobicContact CB-CE1 3.74Å; L172-F178 HydrophobicContact CB-CE2 4.07Å; L172-F178 HydrophobicContact CB-CG 3.77Å; L172-F178 HydrophobicContact CB-CZ 3.96Å; L172-F178 HydrophobicContact CD1-CD2 4.25Å; L172-F178 HydrophobicContact CD1-CE1 4.45Å; L172-F178 HydrophobicContact CD1-CE2 3.72Å; L172-F178 HydrophobicContact CD1-CZ 3.83Å; L172-F178 HydrophobicContact CD2-CD2 3.88Å; L172-F178 HydrophobicContact CD2-CE2 4.18Å; L172-F178 HydrophobicContact CD2-CG 4.29Å; L172-F178 HydrophobicContact CG-CD2 4.26Å; L172-F178 HydrophobicContact CG-CE2 4.21Å; L172-F178 HydrophobicContact CG-CZ 4.42Å; L172-F178 WeakPolarHBondContact O-CB 3.35Å; L172-F196 HydrophobicContact CD1-CB 3.69Å; L172-F196 HydrophobicContact CD1-CD1 4.06Å; L172-F196 HydrophobicContact CD1-CD2 3.44Å; L172-F196 VanDerWaalsContact CD1-CD2 3.44Å; L172-F196 HydrophobicContact CD1-CE2 4.08Å; L172-F196 HydrophobicContact CD1-CG 3.44Å; L172-F196 VanDerWaalsContact CD1-CG 3.44Å; L172-G198 WeakPolarHBondContact CD1-O 3.09Å; L172-G198 VanDerWaalsContact CG-O 3.31Å; L172-G198 WeakPolarHBondContact CG-O 3.17Å; L172-Y201 HydrophobicContact CD2-CD1 3.83Å; L172-Y201 HydrophobicContact CD2-CG 4.41Å
173L91.8Very high92.4Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-62.8-19.5176.6-72.3178.9000113.9V128 L131 F132 K135 I149 A169 A171 L175V128-L173 HydrophobicContact CG1-CD1 3.89Å; V128-L173 HydrophobicContact CG2-CD1 4.08Å; L131-L173 HydrophobicContact CD2-CB 3.76Å; L131-L173 HydrophobicContact CD2-CD1 4.13Å; F132-L173 HydrophobicContact CE1-CD1 4.4Å; F132-L173 HydrophobicContact CE1-CD2 3.8Å; F132-L173 HydrophobicContact CZ-CD1 4.18Å; F132-L173 HydrophobicContact CZ-CD2 3.65Å; K135-L173 PolarHBondContact NZ-O 3.45Å; I149-L173 HydrophobicContact CD1-CD2 3.72Å; I149-L173 HydrophobicContact CG1-CD2 4.21Å; I149-L173 HydrophobicContact CG2-CD1 3.93Å; I149-L173 HydrophobicContact CG2-CD2 3.96Å; I149-L173 HydrophobicContact CG2-CG 4.3Å; A169-L173 WeakPolarHBondContact O-CB 3.08Å; A169-L173 WeakPolarHBondContact O-CG 3.36Å; A169-L173 PolarHBondContact O-N 2.03Å; A171-L173 VanDerWaalsContact C-N 3.34Å; A171-L173 PolarHBondContact O-N 2.78Å; L173-L175 PolarHBondContact O-N 2.99Å
174Q88.1Confident92.4Very high60 Ų6011.2 Ų11.228%0.286%0.057SC..THydrogen-bonded Turntrans-68-25.4171.5-56.5-50.6-41.900111.4K135 W170 A171 L172K135-Q174 PolarHBondContact NZ-O 2.87Å; W170-Q174 PolarHBondContact O-NE2 3.37Å; A171-Q174 WeakPolarHBondContact O-CB 3.26Å; A171-Q174 PolarHBondContact O-N 2.85Å; A171-Q174 VanDerWaalsContact O-N 3.14Å; L172-Q174 PolarHBondContact O-N 3.08Å; L172-Q174 VanDerWaalsContact O-N 3.15Å
175L89.4Confident92.1Very high18 Ų1814.7 Ų14.79%0.0947%0.071CC..  trans-86.1115.1-178.9-46.3-173.2000110.5Q90 L172 L173 E177 F178 L179 Y201Q90-L175 VanDerWaalsContact CD-CD2 3.46Å; L172-L175 HydrophobicContact CD2-CD1 4.43Å; L172-L175 WeakPolarHBondContact O-CA 3.24Å; L172-L175 VanDerWaalsContact O-CB 3.24Å; L172-L175 WeakPolarHBondContact O-CB 3.35Å; L172-L175 PolarHBondContact O-N 3.04Å; L173-L175 PolarHBondContact O-N 2.99Å; L175-E177 PolarHBondContact O-N 3.42Å; L175-F178 HydrophobicContact CB-CB 4.06Å; L175-F178 PolarHBondContact O-N 2.78Å; L175-F178 VanDerWaalsContact O-N 3.15Å; L175-L179 PolarHBondContact O-N 3.19Å; L175-L179 VanDerWaalsContact O-N 3.14Å; L175-Y201 HydrophobicContact CD1-CD1 4.46Å; L175-Y201 HydrophobicContact CD1-CE1 3.93Å
176N90.2Very high91.8Very high28 Ų2821.4 Ų21.415%0.1511%0.107CC..Hα-helixtrans-61.8-34.1178.8-65.1-13.5000112.4K135 F178 L179 L180 I291K135-N176 PolarHBondContact NZ-OD1 3.36Å; N176-F178 VanDerWaalsContact C-N 3.35Å; N176-F178 PolarHBondContact O-N 3.37Å; N176-L179 PolarHBondContact O-N 3.12Å; N176-L180 WeakPolarHBondContact O-CB 3.2Å; N176-L180 VanDerWaalsContact O-CG 3.31Å; N176-L180 WeakPolarHBondContact O-CG 3.2Å; N176-L180 PolarHBondContact O-N 2.95Å; N176-I291 WeakPolarHBondContact CB-O 3.23Å; N176-I291 PolarHBondContact ND2-O 2.99Å
177E91.5Very high91.8Very high4 Ų425.1 Ų25.12%0.01912%0.122CC..Hα-helixtrans-61-42175.6174.9166.7-133.400112.2K88 L175 L180 M181 Y201 M288 R289K88-E177 IonicContact NZ-OE1 2.79Å; K88-E177 PolarHBondContact NZ-OE1 2.79Å; K88-E177 IonicContact NZ-OE2 2.7Å; L175-E177 PolarHBondContact O-N 3.42Å; E177-L180 PolarHBondContact O-N 3.29Å; E177-M181 HydrophobicContact CG-CE 4.37Å; E177-M181 WeakPolarHBondContact O-CG 3.31Å; E177-M181 PolarHBondContact O-N 3.31Å; E177-Y201 VanDerWaalsContact CD-OH 3.24Å; E177-Y201 PolarHBondContact OE2-OH 3.08Å; E177-M288 HydrophobicContact CB-CB 4.28Å; E177-M288 HydrophobicContact CG-CB 4.14Å; E177-M288 PolarHBondContact OE1-N 3.45Å; E177-R289 HydrophobicContact CB-CG 3.92Å; E177-R289 HydrophobicContact CG-CG 4.44Å; E177-R289 WeakPolarHBondContact OE2-CD 3.34Å; E177-R289 WeakPolarHBondContact OE2-CG 3.36Å
178F92.2Very high91.6Very high5 Ų530.8 Ų30.82%0.02215%0.149CC..Hα-helixtrans-65.8-46175.9-179.6-92.3000111.6V152 L172 L175 N176 L180 M181 V182 L193V152-F178 HydrophobicContact CG1-CZ 4.02Å; L172-F178 HydrophobicContact CB-CB 4.48Å; L172-F178 HydrophobicContact CB-CD1 3.65Å; L172-F178 HydrophobicContact CB-CD2 3.99Å; L172-F178 HydrophobicContact CB-CE1 3.74Å; L172-F178 HydrophobicContact CB-CE2 4.07Å; L172-F178 HydrophobicContact CB-CG 3.77Å; L172-F178 HydrophobicContact CB-CZ 3.96Å; L172-F178 HydrophobicContact CD1-CD2 4.25Å; L172-F178 HydrophobicContact CD1-CE1 4.45Å; L172-F178 HydrophobicContact CD1-CE2 3.72Å; L172-F178 HydrophobicContact CD1-CZ 3.83Å; L172-F178 HydrophobicContact CD2-CD2 3.88Å; L172-F178 HydrophobicContact CD2-CE2 4.18Å; L172-F178 HydrophobicContact CD2-CG 4.29Å; L172-F178 HydrophobicContact CG-CD2 4.26Å; L172-F178 HydrophobicContact CG-CE2 4.21Å; L172-F178 HydrophobicContact CG-CZ 4.42Å; L172-F178 WeakPolarHBondContact O-CB 3.35Å; L175-F178 HydrophobicContact CB-CB 4.06Å; L175-F178 PolarHBondContact O-N 2.78Å; L175-F178 VanDerWaalsContact O-N 3.15Å; N176-F178 VanDerWaalsContact C-N 3.35Å; N176-F178 PolarHBondContact O-N 3.37Å; F178-L180 VanDerWaalsContact C-N 3.28Å; F178-L180 PolarHBondContact O-N 2.99Å; F178-M181 HydrophobicContact CB-CE 4.33Å; F178-M181 HydrophobicContact CD2-CE 4.18Å; F178-M181 PolarHBondContact O-N 2.66Å; F178-V182 HydrophobicContact CD1-CG2 4.3Å; F178-V182 HydrophobicContact CE1-CG2 3.86Å; F178-V182 HydrophobicContact CZ-CG2 4.03Å; F178-V182 PolarHBondContact O-N 2.93Å; F178-V182 VanDerWaalsContact O-N 3.08Å; F178-L193 HydrophobicContact CD2-CD1 4.43Å; F178-L193 HydrophobicContact CD2-CD2 4.32Å; F178-L193 HydrophobicContact CE2-CD1 4.21Å; F178-L193 HydrophobicContact CE2-CD2 3.55Å; F178-L193 HydrophobicContact CZ-CD2 4.13Å
179L92.1Very high91.6Very high1 Ų131.2 Ų31.21%0.00515%0.151CC..Hα-helixtrans-56.2-44.7176.4179.861.2000111.6F132 L136 L145 L175 N176 V182 I183F132-L179 HydrophobicContact CE1-CD1 3.79Å; F132-L179 HydrophobicContact CZ-CD1 4.12Å; L136-L179 HydrophobicContact CD2-CD2 4.36Å; L145-L179 HydrophobicContact CD2-CD1 4.35Å; L175-L179 PolarHBondContact O-N 3.19Å; L175-L179 VanDerWaalsContact O-N 3.14Å; N176-L179 PolarHBondContact O-N 3.12Å; L179-V182 PolarHBondContact O-N 3.17Å; L179-I183 HydrophobicContact CD1-CD1 3.9Å; L179-I183 HydrophobicContact CD1-CG1 4.3Å; L179-I183 HydrophobicContact CD2-CD1 4.44Å; L179-I183 HydrophobicContact CG-CD1 3.76Å; L179-I183 VanDerWaalsContact O-CG1 3.31Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 3.32Å
180L93.1Very high91.5Very high2 Ų231.1 Ų31.11%0.0115%0.15CC..Hα-helixtrans-66.9-38.7178.2-73.9164.5000112.6N176 E177 F178 V182 I183 L184 F265 M288 I291N176-L180 WeakPolarHBondContact O-CB 3.2Å; N176-L180 VanDerWaalsContact O-CG 3.31Å; N176-L180 WeakPolarHBondContact O-CG 3.2Å; N176-L180 PolarHBondContact O-N 2.95Å; E177-L180 PolarHBondContact O-N 3.29Å; F178-L180 VanDerWaalsContact C-N 3.28Å; F178-L180 PolarHBondContact O-N 2.99Å; L180-V182 VanDerWaalsContact C-N 3.26Å; L180-V182 PolarHBondContact O-N 3.03Å; L180-I183 PolarHBondContact O-N 2.99Å; L180-L184 HydrophobicContact CD2-CD1 4.39Å; L180-L184 VanDerWaalsContact O-CB 3.3Å; L180-L184 WeakPolarHBondContact O-CB 3.33Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 3.46Å; L180-F265 HydrophobicContact CD2-CD1 3.79Å; L180-F265 HydrophobicContact CD2-CD2 4.41Å; L180-F265 HydrophobicContact CD2-CE1 3.86Å; L180-F265 HydrophobicContact CD2-CE2 4.5Å; L180-F265 HydrophobicContact CD2-CG 4.07Å; L180-F265 HydrophobicContact CD2-CZ 4.23Å; L180-F265 HydrophobicContact CG-CD1 4.47Å; L180-F265 HydrophobicContact CG-CE1 4.43Å; L180-M288 HydrophobicContact CB-CE 4.31Å; L180-M288 HydrophobicContact CB-SD 4.1Å; L180-M288 HydrophobicContact CD1-CB 4.05Å; L180-I291 HydrophobicContact CD1-CB 3.49Å; L180-I291 VanDerWaalsContact CD1-CB 3.49Å; L180-I291 HydrophobicContact CD1-CD1 4.45Å; L180-I291 HydrophobicContact CD1-CG1 4.49Å; L180-I291 HydrophobicContact CD1-CG2 3.52Å; L180-I291 HydrophobicContact CD2-CG2 4.43Å
181M93.6Very high91.5Very high3 Ų329.6 Ų29.62%0.01514%0.144CC..Hα-helixtrans-60.9-36.3174-75-173.7-60.600112.2E177 F178 Q185 T190 L193 Y201 M203 M288E177-M181 HydrophobicContact CG-CE 4.37Å; E177-M181 WeakPolarHBondContact O-CG 3.31Å; E177-M181 PolarHBondContact O-N 3.31Å; F178-M181 HydrophobicContact CB-CE 4.33Å; F178-M181 HydrophobicContact CD2-CE 4.18Å; F178-M181 PolarHBondContact O-N 2.66Å; M181-Q185 VanDerWaalsContact O-CA 3.24Å; M181-Q185 WeakPolarHBondContact O-CA 3.3Å; M181-Q185 WeakPolarHBondContact O-CB 3.31Å; M181-Q185 PolarHBondContact O-N 3.28Å; M181-Q185 VanDerWaalsContact O-N 3.11Å; M181-T190 HydrophobicContact CG-CG2 4.29Å; M181-L193 HydrophobicContact CE-CD1 4.11Å; M181-Y201 HydrophobicContact CE-CD2 3.65Å; M181-Y201 HydrophobicContact CE-CE2 3.42Å; M181-Y201 VanDerWaalsContact CE-CE2 3.42Å; M181-Y201 HydrophobicContact CE-CG 4.49Å; M181-Y201 HydrophobicContact SD-CE2 4.32Å; M181-M203 HydrophobicContact SD-CB 4.36Å; M181-M288 HydrophobicContact CG-CE 3.45Å; M181-M288 VanDerWaalsContact CG-CE 3.45Å
182V92.3Very high91.6Very high3 Ų336 Ų362%0.01817%0.172CC..Hα-helixtrans-74.1-44.6176.5178.10000111.4L148 I149 V152 F178 L179 L180 L184 Q185L148-V182 HydrophobicContact CD2-CG1 3.57Å; L148-V182 HydrophobicContact CG-CG1 3.71Å; I149-V182 HydrophobicContact CD1-CB 4.04Å; I149-V182 HydrophobicContact CD1-CG1 3.66Å; I149-V182 HydrophobicContact CD1-CG2 4.03Å; I149-V182 HydrophobicContact CG1-CG1 4.47Å; V152-V182 HydrophobicContact CG1-CG2 4.46Å; V152-V182 HydrophobicContact CG2-CG1 4.2Å; V152-V182 HydrophobicContact CG2-CG2 4.48Å; F178-V182 HydrophobicContact CD1-CG2 4.3Å; F178-V182 HydrophobicContact CE1-CG2 3.86Å; F178-V182 HydrophobicContact CZ-CG2 4.03Å; F178-V182 PolarHBondContact O-N 2.93Å; F178-V182 VanDerWaalsContact O-N 3.08Å; L179-V182 PolarHBondContact O-N 3.17Å; L180-V182 VanDerWaalsContact C-N 3.26Å; L180-V182 PolarHBondContact O-N 3.03Å; V182-L184 VanDerWaalsContact C-N 3.3Å; V182-L184 PolarHBondContact O-N 3.42Å; V182-Q185 WeakPolarHBondContact O-CG 3.44Å
183I91.7Very high91.7Very high30 Ų3038.4 Ų38.415%0.15419%0.185CC..Hα-helixtrans-62.5-39179.1-71.1170.6000111.5L145 L179 L180 Y262 F265L145-I183 HydrophobicContact CD1-CD1 4.43Å; L145-I183 HydrophobicContact CD1-CG1 3.77Å; L145-I183 HydrophobicContact CD2-CD1 4.36Å; L179-I183 HydrophobicContact CD1-CD1 3.9Å; L179-I183 HydrophobicContact CD1-CG1 4.3Å; L179-I183 HydrophobicContact CD2-CD1 4.44Å; L179-I183 HydrophobicContact CG-CD1 3.76Å; L179-I183 VanDerWaalsContact O-CG1 3.31Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 3.32Å; L180-I183 PolarHBondContact O-N 2.99Å; I183-Y262 HydrophobicContact CB-CD2 4.28Å; I183-Y262 HydrophobicContact CB-CE2 4.42Å; I183-Y262 HydrophobicContact CD1-CD2 3.88Å; I183-Y262 HydrophobicContact CG1-CD2 3.74Å; I183-Y262 HydrophobicContact CG1-CE2 4.01Å; I183-Y262 HydrophobicContact CG2-CD2 3.63Å; I183-Y262 HydrophobicContact CG2-CE2 3.93Å; I183-F265 HydrophobicContact CD1-CE2 4.41Å; I183-F265 HydrophobicContact CD1-CZ 3.84Å
184L92.3Very high91.8Very high8 Ų841 Ų414%0.04220%0.198CC..THydrogen-bonded Turntrans-106.722.4-174.2-55.4174.2000112.5L180 V182 D186 K187 T190 F253 D256 V257L180-L184 HydrophobicContact CD2-CD1 4.39Å; L180-L184 VanDerWaalsContact O-CB 3.3Å; L180-L184 WeakPolarHBondContact O-CB 3.33Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 3.46Å; V182-L184 VanDerWaalsContact C-N 3.3Å; V182-L184 PolarHBondContact O-N 3.42Å; L184-D186 PolarHBondContact O-N 2.91Å; L184-D186 VanDerWaalsContact O-N 3.13Å; L184-K187 HydrophobicContact CB-CB 4.33Å; L184-K187 HydrophobicContact CB-CG 4.11Å; L184-K187 HydrophobicContact CD2-CG 4.12Å; L184-K187 WeakPolarHBondContact O-CB 3.49Å; L184-K187 PolarHBondContact O-N 3.35Å; L184-T190 HydrophobicContact CB-CG2 4.18Å; L184-T190 WeakPolarHBondContact CB-OG1 3.46Å; L184-T190 VanDerWaalsContact O-CB 3.29Å; L184-T190 WeakPolarHBondContact O-CB 3.21Å; L184-T190 PolarHBondContact O-OG1 2.92Å; L184-F253 HydrophobicContact CD1-CD2 4.35Å; L184-F253 HydrophobicContact CD1-CE2 3.74Å; L184-D256 HydrophobicContact CD2-CB 4.08Å; L184-V257 HydrophobicContact CD1-CG1 4.02Å
185Q88.6Confident92.1Very high80 Ų8038.4 Ų38.437%0.37419%0.186SC..THydrogen-bonded Turntrans-56.9-31.3-173.766-178.5-1.100113.8M181 V182M181-Q185 VanDerWaalsContact O-CA 3.24Å; M181-Q185 WeakPolarHBondContact O-CA 3.3Å; M181-Q185 WeakPolarHBondContact O-CB 3.31Å; M181-Q185 PolarHBondContact O-N 3.28Å; M181-Q185 VanDerWaalsContact O-N 3.11Å; V182-Q185 WeakPolarHBondContact O-CG 3.44Å
186D88.7Confident92.3Very high142 Ų14237.8 Ų37.876%0.75918%0.183SC*.THydrogen-bonded Turntrans-92.10.8-177.4-62.2-51.2000113L184L184-D186 PolarHBondContact O-N 2.91Å; L184-D186 VanDerWaalsContact O-N 3.13Å
187K92.6Very high92.6Very high84 Ų8436.4 Ų36.437%0.36518%0.176SC..  trans-93.7134.8-177.4-56.7-58.8-169.3137.70111.2L184 H189 T190 D256L184-K187 HydrophobicContact CB-CB 4.33Å; L184-K187 HydrophobicContact CB-CG 4.11Å; L184-K187 HydrophobicContact CD2-CG 4.12Å; L184-K187 WeakPolarHBondContact O-CB 3.49Å; L184-K187 PolarHBondContact O-N 3.35Å; K187-H189 VanDerWaalsContact CB-NE2 3.31Å; K187-H189 WeakPolarHBondContact CB-NE2 3.36Å; K187-H189 PolarHBondContact O-N 3.26Å; K187-T190 PolarHBondContact O-N 2.94Å; K187-T190 VanDerWaalsContact O-N 3.1Å; K187-D256 WeakPolarHBondContact CD-OD2 3.49Å; K187-D256 WeakPolarHBondContact CE-OD2 3.45Å; K187-D256 IonicContact NZ-OD1 2.79Å; K187-D256 PolarHBondContact NZ-OD1 2.95Å; K187-D256 IonicContact NZ-OD2 2.79Å; K187-D256 PolarHBondContact NZ-OD2 2.92Å
188E91.2Very high92.6Very high142 Ų14236.2 Ų36.266%0.66418%0.175SC*.THydrogen-bonded Turntrans-61.3-32.4-175.1-65-170.9167.600113.1T190 K284E188-T190 PolarHBondContact O-N 3.18Å; E188-K284 WeakPolarHBondContact O-CD 3.13Å; E188-K284 WeakPolarHBondContact O-CE 3.32Å; E188-K284 PolarHBondContact O-NZ 3.18Å
189H93.2Very high92.6Very high9 Ų936.4 Ų36.44%0.04218%0.176CC..THydrogen-bonded Turntrans-76.5-4.3-179.751-116.6000115.1K187 F253 D256 L283 K284 M285K187-H189 VanDerWaalsContact CB-NE2 3.31Å; K187-H189 WeakPolarHBondContact CB-NE2 3.36Å; K187-H189 PolarHBondContact O-N 3.26Å; H189-F253 HydrophobicContact CB-CB 4.38Å; H189-F253 AromaticContact CD2-CD2 3.34Å; H189-F253 WeakPolarHBondContact CD2-CD2 2.98Å; H189-F253 AromaticContact CG-CD2 3.95Å; H189-F253 AromaticContact NE2-CD2 3.53Å; H189-D256 IonicContact CE1-OD2 3.65Å; H189-D256 PolarHBondContact CE1-OD2 3.22Å; H189-D256 IonicContact NE2-OD2 3.71Å; H189-L283 VanDerWaalsContact CA-O 3.26Å; H189-L283 WeakPolarHBondContact CA-O 3.5Å; H189-L283 HydrophobicContact CB-CD2 4.37Å; H189-K284 CarbonylContact O-C 3.19Å; H189-K284 WeakPolarHBondContact O-CA 3.22Å; H189-M285 PolarHBondContact O-N 2.98Å
190T93.6Very high92.6Very high2 Ų236.3 Ų36.31%0.01218%0.176CC..SBendtrans-101.7130.3179.8-56.30000110.1M181 L184 K187 E188 K192 K284 M288M181-T190 HydrophobicContact CG-CG2 4.29Å; L184-T190 HydrophobicContact CB-CG2 4.18Å; L184-T190 WeakPolarHBondContact CB-OG1 3.46Å; L184-T190 VanDerWaalsContact O-CB 3.29Å; L184-T190 WeakPolarHBondContact O-CB 3.21Å; L184-T190 PolarHBondContact O-OG1 2.92Å; K187-T190 PolarHBondContact O-N 2.94Å; K187-T190 VanDerWaalsContact O-N 3.1Å; E188-T190 PolarHBondContact O-N 3.18Å; T190-K192 PolarHBondContact O-N 3.05Å; T190-K284 PolarHBondContact O-NZ 3.5Å; T190-M288 HydrophobicContact CG2-CE 4.04Å
191P93.1Very high92.7Very high1 Ų136.6 Ų36.61%0.00618%0.177CC..PPolyproline II helixtrans-62129.7169.2-24.535.3000111.7L193 M203 E204 V206 M285P191-L193 PolarHBondContact O-N 3.42Å; P191-M203 HydrophobicContact CB-CB 4.38Å; P191-M203 HydrophobicContact CB-CE 3.92Å; P191-M203 HydrophobicContact CB-SD 4.39Å; P191-M203 HydrophobicContact CG-CE 3.98Å; P191-E204 VanDerWaalsContact CA-OE1 3.24Å; P191-E204 WeakPolarHBondContact CA-OE1 3.39Å; P191-E204 HydrophobicContact CB-CG 3.86Å; P191-V206 HydrophobicContact CG-CG2 4.24Å; P191-M285 WeakPolarHBondContact CD-O 3.45Å; P191-M285 WeakPolarHBondContact CG-O 3.31Å
192K92.4Very high92.8Very high133 Ų13336.6 Ų36.658%0.57818%0.177SC*.PPolyproline II helixtrans-62.1129.3176.3-65.7-178.1179.5-178.40111.8T190 M194 M203 E204T190-K192 PolarHBondContact O-N 3.05Å; K192-M194 PolarHBondContact O-N 2.94Å; K192-M203 CarbonylContact O-C 3.55Å; K192-M203 VanDerWaalsContact O-CA 3.25Å; K192-M203 WeakPolarHBondContact O-CA 3.5Å; K192-E204 HydrophobicContact CB-CB 4.4Å; K192-E204 HydrophobicContact CB-CG 4.27Å; K192-E204 VanDerWaalsContact N-CD 3.26Å; K192-E204 PolarHBondContact N-OE1 2.94Å; K192-E204 VanDerWaalsContact N-OE1 3.08Å; K192-E204 PolarHBondContact O-N 3.38Å
193L93.8Very high92.9Very high51 Ų5136.6 Ų36.627%0.26718%0.177SC..EExtended strand (participates in β ladder)trans-73.2117.6168.4179.470.9000109V152 F178 M181 P191 Y201V152-L193 HydrophobicContact CG1-CD2 4.5Å; F178-L193 HydrophobicContact CD2-CD1 4.43Å; F178-L193 HydrophobicContact CD2-CD2 4.32Å; F178-L193 HydrophobicContact CE2-CD1 4.21Å; F178-L193 HydrophobicContact CE2-CD2 3.55Å; F178-L193 HydrophobicContact CZ-CD2 4.13Å; M181-L193 HydrophobicContact CE-CD1 4.11Å; P191-L193 PolarHBondContact O-N 3.42Å; L193-Y201 HydrophobicContact CD1-CD2 4.19Å
194M93.6Very high93Very high56 Ų5637.3 Ų37.328%0.27618%0.179SC..EExtended strand (participates in β ladder)trans-84.1-34.3177.4-63.3175.968.300111.5W80 L83 K192 V202W80-M194 HydrophobicContact CB-CE 4.39Å; W80-M194 HydrophobicContact CE3-CB 3.92Å; W80-M194 HydrophobicContact CE3-CE 4.27Å; W80-M194 HydrophobicContact CZ3-CB 3.77Å; W80-M194 WeakPolarHBondContact CZ3-O 3.33Å; L83-M194 HydrophobicContact CB-CE 3.7Å; L83-M194 HydrophobicContact CD1-CE 4.12Å; K192-M194 PolarHBondContact O-N 2.94Å; M194-V202 HydrophobicContact CB-CB 4.31Å; M194-V202 HydrophobicContact CB-CG1 4.34Å; M194-V202 PolarHBondContact N-O 3.17Å; M194-V202 HydrophobicContact SD-CG1 4.03Å
195G94Very high92.9Very high4 Ų438.2 Ų38.24%0.04119%0.186CC..EExtended strand (participates in β ladder)trans162.8-179.8-179.300000112.8Y201 V202G195-Y201 WeakPolarHBondContact O-CA 3.38Å; G195-V202 PolarHBondContact N-O 3.27Å; G195-V202 PolarHBondContact O-N 3.24Å
196F95.3Very high93.1Very high5 Ų535 Ų352%0.02217%0.172CC..EExtended strand (participates in β ladder)trans-148.1165.2-174.662.8-91.4000112.3G49 P50 A51 V152 L172 L200G49-F196 CarbonylContact C-O 3.5Å; G49-F196 VanDerWaalsContact C-O 3.26Å; G49-F196 WeakPolarHBondContact CA-O 3.4Å; P50-F196 WeakPolarHBondContact CD-O 3.37Å; P50-F196 HydrophobicContact CG-CD1 4.28Å; P50-F196 HydrophobicContact CG-CE1 4.24Å; A51-F196 WeakPolarHBondContact CB-O 3.4Å; A51-F196 PolarHBondContact N-O 3.01Å; V152-F196 HydrophobicContact CG1-CE1 4.13Å; V152-F196 WeakPolarHBondContact O-CE1 3.24Å; V152-F196 WeakPolarHBondContact O-CZ 3.04Å; L172-F196 HydrophobicContact CD1-CB 3.69Å; L172-F196 HydrophobicContact CD1-CD1 4.06Å; L172-F196 HydrophobicContact CD1-CD2 3.44Å; L172-F196 VanDerWaalsContact CD1-CD2 3.44Å; L172-F196 HydrophobicContact CD1-CE2 4.08Å; L172-F196 HydrophobicContact CD1-CG 3.44Å; L172-F196 VanDerWaalsContact CD1-CG 3.44Å; F196-L200 CarbonylContact C-O 3.51Å; F196-L200 VanDerWaalsContact CA-O 3.23Å; F196-L200 WeakPolarHBondContact CA-O 3.49Å; F196-L200 VanDerWaalsContact CB-O 3.31Å; F196-L200 WeakPolarHBondContact CB-O 3.38Å
197C95.1Very high93Very high0 Ų033.1 Ų33.10%016%0.159CC..EExtended strand (participates in β ladder)trans-147.1105.5170.7-177.40000109.5I38 A51 C52 L55 D199 L200I38-C197 HydrophobicContact CG2-CB 4.13Å; I38-C197 WeakPolarHBondContact CG2-SG 3.47Å; A51-C197 HydrophobicContact CB-CB 4.43Å; C52-C197 WeakPolarHBondContact CA-SG 2.94Å; C52-C197 HydrophobicContact CB-CB 3.92Å; C52-C197 WeakPolarHBondContact CB-SG 3.47Å; C52-C197 WeakPolarHBondContact SG-CA 3.36Å; C52-C197 WeakPolarHBondContact SG-CB 3.06Å; C52-C197 CovalentContact SG-SG 2.03Å; C52-C197 PolarHBondContact SG-SG 2.9Å; L55-C197 HydrophobicContact CD2-CB 4.31Å; C197-D199 PolarHBondContact O-N 3.18Å; C197-L200 PolarHBondContact N-O 3.18Å; C197-L200 WeakPolarHBondContact O-CB 3.43Å; C197-L200 PolarHBondContact O-N 3.49Å
198G92.6Very high92.8Very high0 Ų033.7 Ų33.70%016%0.159CC..THydrogen-bonded Turntrans64.4-125.3-168.200000111D48 L172D48-G198 PolarHBondContact O-N 3.04Å; L172-G198 WeakPolarHBondContact CD1-O 3.09Å; L172-G198 VanDerWaalsContact CG-O 3.31Å; L172-G198 WeakPolarHBondContact CG-O 3.17Å
199D91Very high92.5Very high8 Ų830.5 Ų30.54%0.04315%0.15CC..THydrogen-bonded Turntrans-95.6-2175.569.1-41.6000113.5I38 L111 F112 A171 C197I38-D199 WeakPolarHBondContact CD1-OD1 3.26Å; L111-D199 HydrophobicContact CD2-CB 3.57Å; L111-D199 WeakPolarHBondContact CD2-OD2 3.45Å; F112-D199 HydrophobicContact CE1-CB 4.41Å; F112-D199 HydrophobicContact CZ-CB 3.91Å; F112-D199 WeakPolarHBondContact CZ-OD1 3.36Å; A171-D199 HydrophobicContact CB-CB 4.17Å; C197-D199 PolarHBondContact O-N 3.18Å
200L93.9Very high92.2Very high0 Ų031.7 Ų31.70%016%0.159CC..EExtended strand (participates in β ladder)trans-80135.1168.5175.8156000109.2I38 L55 F63 V87 K88 C89 F196 C197 V202I38-L200 HydrophobicContact CD1-CB 4.29Å; I38-L200 HydrophobicContact CG1-CB 4.21Å; I38-L200 HydrophobicContact CG1-CD1 4.45Å; L55-L200 HydrophobicContact CD2-CD1 4.04Å; L55-L200 HydrophobicContact CD2-CD2 4.38Å; F63-L200 HydrophobicContact CZ-CD1 3.8Å; V87-L200 HydrophobicContact CG1-CD1 3.85Å; V87-L200 HydrophobicContact CG1-CD2 3.98Å; V87-L200 HydrophobicContact CG1-CG 3.93Å; K88-L200 WeakPolarHBondContact O-CA 3.47Å; C89-L200 HydrophobicContact CB-CD1 4.24Å; C89-L200 HydrophobicContact CB-CG 4.43Å; F196-L200 CarbonylContact C-O 3.51Å; F196-L200 VanDerWaalsContact CA-O 3.23Å; F196-L200 WeakPolarHBondContact CA-O 3.49Å; F196-L200 VanDerWaalsContact CB-O 3.31Å; F196-L200 WeakPolarHBondContact CB-O 3.38Å; C197-L200 PolarHBondContact N-O 3.18Å; C197-L200 WeakPolarHBondContact O-CB 3.43Å; C197-L200 PolarHBondContact O-N 3.49Å; L200-V202 HydrophobicContact CD2-CG2 4.35Å
201Y94.7Very high91.7Very high8 Ų831.7 Ų31.73%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-140.1157175.463.9-87.9000112.2K88 L172 L175 E177 M181 L193 G195K88-Y201 HydrophobicContact CB-CD1 4.48Å; K88-Y201 HydrophobicContact CB-CD2 4.35Å; K88-Y201 HydrophobicContact CB-CE1 3.95Å; K88-Y201 HydrophobicContact CB-CE2 3.8Å; K88-Y201 HydrophobicContact CD-CE2 3.68Å; K88-Y201 WeakPolarHBondContact CD-OH 3.45Å; K88-Y201 HydrophobicContact CG-CE2 4.15Å; K88-Y201 PolarHBondContact N-O 2.74Å; K88-Y201 PolarHBondContact O-N 3.26Å; L172-Y201 HydrophobicContact CD2-CD1 3.83Å; L172-Y201 HydrophobicContact CD2-CG 4.41Å; L175-Y201 HydrophobicContact CD1-CD1 4.46Å; L175-Y201 HydrophobicContact CD1-CE1 3.93Å; E177-Y201 VanDerWaalsContact CD-OH 3.24Å; E177-Y201 PolarHBondContact OE2-OH 3.08Å; M181-Y201 HydrophobicContact CE-CD2 3.65Å; M181-Y201 HydrophobicContact CE-CE2 3.42Å; M181-Y201 VanDerWaalsContact CE-CE2 3.42Å; M181-Y201 HydrophobicContact CE-CG 4.49Å; M181-Y201 HydrophobicContact SD-CE2 4.32Å; L193-Y201 HydrophobicContact CD1-CD2 4.19Å; G195-Y201 WeakPolarHBondContact O-CA 3.38Å
202V95.3Very high91.1Very high2 Ų234.2 Ų34.21%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-119.9129.9-177.4-1680000108.7L61 W80 V86 V87 M194 G195 L200L61-V202 HydrophobicContact CD1-CG2 3.75Å; W80-V202 HydrophobicContact CE3-CB 3.96Å; W80-V202 HydrophobicContact CE3-CG1 4.06Å; W80-V202 HydrophobicContact CE3-CG2 4.01Å; W80-V202 HydrophobicContact CZ3-CB 4.2Å; W80-V202 HydrophobicContact CZ3-CG2 4.29Å; V86-V202 WeakPolarHBondContact O-CA 2.86Å; V87-V202 HydrophobicContact CG2-CG1 4.46Å; V87-V202 HydrophobicContact CG2-CG2 4.31Å; M194-V202 HydrophobicContact CB-CB 4.31Å; M194-V202 HydrophobicContact CB-CG1 4.34Å; M194-V202 PolarHBondContact N-O 3.17Å; M194-V202 HydrophobicContact SD-CG1 4.03Å; G195-V202 PolarHBondContact N-O 3.27Å; G195-V202 PolarHBondContact O-N 3.24Å; L200-V202 HydrophobicContact CD2-CG2 4.35Å
203M94.4Very high89.8Confident4 Ų429.4 Ų29.42%0.0216%0.156CC..EExtended strand (participates in β ladder)trans-122162.8175.660-178.2-115.300110.5G85 V86 K88 M181 P191 K192G85-M203 CarbonylContact C-O 3.58Å; G85-M203 WeakPolarHBondContact CA-O 3.15Å; V86-M203 HydrophobicContact CB-CE 4.31Å; V86-M203 HydrophobicContact CB-CG 3.86Å; V86-M203 HydrophobicContact CG2-CE 4.39Å; V86-M203 PolarHBondContact N-O 2.79Å; V86-M203 PolarHBondContact O-N 3.39Å; K88-M203 HydrophobicContact CD-SD 4.04Å; K88-M203 VanDerWaalsContact CE-SD 3.58Å; K88-M203 PolarHBondContact NZ-SD 3.13Å; M181-M203 HydrophobicContact SD-CB 4.36Å; P191-M203 HydrophobicContact CB-CB 4.38Å; P191-M203 HydrophobicContact CB-CE 3.92Å; P191-M203 HydrophobicContact CB-SD 4.39Å; P191-M203 HydrophobicContact CG-CE 3.98Å; K192-M203 CarbonylContact O-C 3.55Å; K192-M203 VanDerWaalsContact O-CA 3.25Å; K192-M203 WeakPolarHBondContact O-CA 3.5Å
204E93Very high88.4Confident44 Ų4429.6 Ų29.621%0.20616%0.157CC..EExtended strand (participates in β ladder)trans-56.8145.6172.773-176.2170.200111.5P191 K192 K284P191-E204 VanDerWaalsContact CA-OE1 3.24Å; P191-E204 WeakPolarHBondContact CA-OE1 3.39Å; P191-E204 HydrophobicContact CB-CG 3.86Å; K192-E204 HydrophobicContact CB-CB 4.4Å; K192-E204 HydrophobicContact CB-CG 4.27Å; K192-E204 VanDerWaalsContact N-CD 3.26Å; K192-E204 PolarHBondContact N-OE1 2.94Å; K192-E204 VanDerWaalsContact N-OE1 3.08Å; K192-E204 PolarHBondContact O-N 3.38Å; E204-K284 IonicContact OE1-NZ 2.79Å; E204-K284 PolarHBondContact OE1-NZ 3.49Å
205S91.6Very high86.6Confident28 Ų2832.8 Ų32.820%0.19619%0.185CC..PPolyproline II helixtrans-75137174.162.60000111.4P84P84-S205 WeakPolarHBondContact CB-OG 3.32Å; P84-S205 PolarHBondContact O-OG 2.86Å
206V91.1Very high85Confident13 Ų1334.7 Ų34.78%0.07919%0.194CC..PPolyproline II helixtrans-99.6126.9170.4-176.80000108.5P191 Y208 T209 K284 V286P191-V206 HydrophobicContact CG-CG2 4.24Å; V206-Y208 WeakPolarHBondContact CG1-O 3.39Å; V206-T209 WeakPolarHBondContact O-CG2 3.05Å; V206-K284 HydrophobicContact CB-CB 4.46Å; V206-K284 HydrophobicContact CG1-CB 3.83Å; V206-K284 HydrophobicContact CG1-CG 4.28Å; V206-K284 HydrophobicContact CG2-CB 3.71Å; V206-K284 HydrophobicContact CG2-CG 4.17Å; V206-V286 HydrophobicContact CB-CG2 4.39Å; V206-V286 HydrophobicContact CG1-CG2 4.25Å; V206-V286 HydrophobicContact CG2-CG2 4.41Å
207E87.5Confident83.3Confident101 Ų10137.9 Ų37.947%0.47222%0.215SC..SBendtrans-65.5-48.8-174.8-65.381.617800111.7N278E207-N278 WeakPolarHBondContact OE2-CA 3.49Å; E207-N278 WeakPolarHBondContact OE2-CB 3.31Å
208Y87.5Confident81.7Confident97 Ų9743.8 Ų43.838%0.3824%0.237SC..BIsolated β-bridgetrans-108.6104.3177.6-59.3-83.8000109.8V206 S210 G276 Y277V206-Y208 WeakPolarHBondContact CG1-O 3.39Å; Y208-S210 VanDerWaalsContact C-N 3.32Å; Y208-S210 PolarHBondContact O-N 3.48Å; Y208-G276 CarbonylContact O-C 3.58Å; Y208-G276 WeakPolarHBondContact O-CA 3.33Å; Y208-Y277 WeakPolarHBondContact CB-O 3.5Å; Y208-Y277 HydrophobicContact CD1-CE2 4.12Å; Y208-Y277 AromaticContact CD2-CD2 3.59Å; Y208-Y277 HydrophobicContact CD2-CD2 3.59Å; Y208-Y277 AromaticContact CD2-CE2 3.28Å; Y208-Y277 HydrophobicContact CD2-CE2 3.28Å; Y208-Y277 HydrophobicContact CD2-CG 4.47Å; Y208-Y277 AromaticContact CD2-CZ 3.96Å; Y208-Y277 HydrophobicContact CE2-CD2 4.37Å; Y208-Y277 AromaticContact CE2-CE2 3.87Å; Y208-Y277 HydrophobicContact CE2-CE2 3.87Å; Y208-Y277 AromaticContact CG-CD2 3.97Å; Y208-Y277 HydrophobicContact CG-CD2 3.97Å; Y208-Y277 HydrophobicContact CG-CE1 4.24Å; Y208-Y277 AromaticContact CG-CE2 3.42Å; Y208-Y277 HydrophobicContact CG-CE2 3.42Å; Y208-Y277 VanDerWaalsContact CG-CE2 3.42Å; Y208-Y277 AromaticContact CG-CZ 3.57Å; Y208-Y277 PolarHBondContact N-O 2.94Å; Y208-Y277 VanDerWaalsContact N-O 3.14Å; Y208-Y277 PolarHBondContact O-N 3.42Å
209T85.3Confident80.2Confident75 Ų7545.7 Ų45.746%0.4625%0.249SC..  trans-88.412.2-172.165.80000114.8V206 L275V206-T209 WeakPolarHBondContact O-CG2 3.05Å; T209-L275 CarbonylContact C-O 3.26Å
210S86.9Confident78.9Confident33 Ų3349.4 Ų49.423%0.23127%0.268CS..  trans-149138.5175.4-1670000109.6Y208 Y212 A272 L275Y208-S210 VanDerWaalsContact C-N 3.32Å; Y208-S210 PolarHBondContact O-N 3.48Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 3.02Å; S210-Y212 PolarHBondContact OG-O 2.94Å; S210-A272 WeakPolarHBondContact CA-O 3.38Å; S210-A272 PolarHBondContact OG-O 3.43Å; S210-L275 CarbonylContact C-O 3.4Å; S210-L275 WeakPolarHBondContact CA-O 3.31Å; S210-L275 PolarHBondContact N-O 2.96Å
211L83.8Confident77.3Confident2 Ų252.5 Ų52.51%0.0128%0.283CS..SBendtrans-63.3-38.8178.7-174.266.7000112I246 A272 L275 L344 Y348L211-I246 HydrophobicContact CD1-CB 4.44Å; L211-I246 HydrophobicContact CD1-CG2 3.4Å; L211-I246 VanDerWaalsContact CD1-CG2 3.4Å; L211-A272 HydrophobicContact CB-CB 4.13Å; L211-A272 PolarHBondContact N-O 3.29Å; L211-L275 HydrophobicContact CB-CB 4.19Å; L211-L275 HydrophobicContact CD2-CD1 4.24Å; L211-L275 PolarHBondContact N-O 3.47Å; L211-L344 HydrophobicContact CD2-CD2 4.26Å; L211-L344 HydrophobicContact CD2-CG 4.45Å; L211-Y348 HydrophobicContact CD1-CE1 4.06Å; L211-Y348 HydrophobicContact CD1-CE2 4.13Å; L211-Y348 HydrophobicContact CD2-CD1 4.41Å; L211-Y348 HydrophobicContact CD2-CD2 4.41Å; L211-Y348 HydrophobicContact CD2-CE1 4.48Å; L211-Y348 HydrophobicContact CD2-CE2 4.48Å; L211-Y348 HydrophobicContact CD2-CG 4.37Å; L211-Y348 HydrophobicContact CG-CD2 4.25Å; L211-Y348 HydrophobicContact CG-CE1 4.39Å; L211-Y348 HydrophobicContact CG-CE2 3.89Å
212Y79.3Confident75.7Confident55 Ų5558.8 Ų58.822%0.21632%0.316CS..SBendtrans-159.9172.217556.5-100.4000109.4S210 A272 L344 Y348S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 3.02Å; S210-Y212 PolarHBondContact OG-O 2.94Å; Y212-A272 HydrophobicContact CD1-CB 4.02Å; Y212-A272 HydrophobicContact CD2-CB 4.02Å; Y212-A272 HydrophobicContact CE1-CB 3.76Å; Y212-A272 HydrophobicContact CE2-CB 3.74Å; Y212-A272 HydrophobicContact CG-CB 4.15Å; Y212-L344 HydrophobicContact CE1-CD1 4.27Å; Y212-L344 VanDerWaalsContact OH-CD1 3.26Å; Y212-L344 WeakPolarHBondContact OH-CD1 3.43Å; Y212-Y348 AromaticContact CD1-CD2 3.64Å; Y212-Y348 HydrophobicContact CD1-CD2 3.64Å; Y212-Y348 HydrophobicContact CD1-CE2 4.22Å; Y212-Y348 HydrophobicContact CD1-CG 4.37Å; Y212-Y348 HydrophobicContact CE1-CD2 4.32Å; Y212-Y348 HydrophobicContact CG-CD2 4.47Å
213G67.1Low74.2Confident31 Ų3166.4 Ų66.432%0.3235%0.349SS..  trans92.1148.1-177.600000113.8D233G213-D233 WeakPolarHBondContact CA-OD1 3.4Å; G213-D233 PolarHBondContact N-O 3.5Å
214I62.8Low72.6Confident56 Ų5667.6 Ų67.629%0.28736%0.355SS..  trans-104.9130.8-178.7-50.3171.3000108.4L216 D233 F236I214-L216 HydrophobicContact CB-CD2 4.48Å; I214-L216 HydrophobicContact CB-CG 4.15Å; I214-L216 HydrophobicContact CG2-CD2 3.7Å; I214-L216 HydrophobicContact CG2-CG 3.83Å; I214-L216 PolarHBondContact O-N 2.89Å; I214-L216 VanDerWaalsContact O-N 3.09Å; I214-D233 PolarHBondContact N-OD1 2.62Å; I214-F236 HydrophobicContact CD1-CD2 3.48Å; I214-F236 VanDerWaalsContact CD1-CD2 3.48Å; I214-F236 HydrophobicContact CD1-CE2 3.4Å; I214-F236 VanDerWaalsContact CD1-CE2 3.4Å; I214-F236 HydrophobicContact CD1-CZ 4.45Å; I214-F236 HydrophobicContact CG1-CD2 3.93Å; I214-F236 HydrophobicContact CG1-CE2 4.33Å
215S57.1Low71.3Confident122 Ų12269.9 Ų69.985%0.85337%0.374SS*.  trans-75.794.5167.951.20000109.5
216L59.3Low69.8Low45 Ų4573.6 Ų73.624%0.23640%0.4CS..  trans-94.7142.5178.1-67.7173000110.4I214 W218 I220 E221 I224 M232I214-L216 HydrophobicContact CB-CD2 4.48Å; I214-L216 HydrophobicContact CB-CG 4.15Å; I214-L216 HydrophobicContact CG2-CD2 3.7Å; I214-L216 HydrophobicContact CG2-CG 3.83Å; I214-L216 PolarHBondContact O-N 2.89Å; I214-L216 VanDerWaalsContact O-N 3.09Å; L216-W218 PolarHBondContact O-N 3.48Å; L216-I220 HydrophobicContact CD1-CG2 4.3Å; L216-I220 HydrophobicContact CD2-CG2 4.43Å; L216-E221 HydrophobicContact CB-CG 3.94Å; L216-I224 HydrophobicContact CD1-CD1 3.4Å; L216-M232 HydrophobicContact CD1-CE 4.4Å
217P60.9Low68.3Low72 Ų7275.8 Ų75.847%0.46843%0.425SS..  trans-52.7138.5167.6-24.332.2000110.9V219 I220 E221P217-V219 PolarHBondContact O-N 2.82Å; P217-I220 HydrophobicContact CG-CD1 4.21Å; P217-I220 PolarHBondContact O-N 3.39Å; P217-E221 PolarHBondContact O-N 3.04Å; P217-E221 VanDerWaalsContact O-N 3.12Å
218W60.1Low67Low123 Ų12376.7 Ų76.747%0.46643%0.428SS..Hα-helixtrans-51-32.2-177.268.7-91.2000113.6I17 L216 E221 L222I17-W218 HydrophobicContact CG1-CH2 4.21Å; I17-W218 HydrophobicContact CG1-CZ2 4.24Å; I17-W218 HydrophobicContact CG2-CZ2 4.12Å; L216-W218 PolarHBondContact O-N 3.48Å; W218-E221 PolarHBondContact O-N 2.89Å; W218-L222 PolarHBondContact O-N 3.41Å
219V62.2Low65.6Low41 Ų4176 Ų7625%0.24842%0.424CS..Hα-helixtrans-62.7-42.8176.7-176.30000111.1I17 P217 F223I17-V219 HydrophobicContact CG2-CG2 3.98Å; P217-V219 PolarHBondContact O-N 2.82Å; V219-F223 HydrophobicContact CG1-CE2 4.14Å; V219-F223 WeakPolarHBondContact O-CD2 3.23Å; V219-F223 WeakPolarHBondContact O-CE2 3.46Å
220I63.5Low64.4Low85 Ų8581.7 Ų81.744%0.43644%0.437SS..Hα-helixtrans-73.9-35.9179.4-60.7-179.3000110.1L216 P217 L222 F223 I224L216-I220 HydrophobicContact CD1-CG2 4.3Å; L216-I220 HydrophobicContact CD2-CG2 4.43Å; P217-I220 HydrophobicContact CG-CD1 4.21Å; P217-I220 PolarHBondContact O-N 3.39Å; I220-L222 PolarHBondContact O-N 2.9Å; I220-F223 PolarHBondContact O-N 3.32Å; I220-I224 HydrophobicContact CG2-CD1 3.97Å; I220-I224 WeakPolarHBondContact O-CG1 3.22Å
221E60Low63Low66 Ų6682.9 Ų82.931%0.30845%0.446SS..Hα-helixtrans-58.3-35.8175.8-67.1-161.8171.700113.2L216 P217 W218 F223 I224 R229L216-E221 HydrophobicContact CB-CG 3.94Å; P217-E221 PolarHBondContact O-N 3.04Å; P217-E221 VanDerWaalsContact O-N 3.12Å; W218-E221 PolarHBondContact O-N 2.89Å; E221-F223 PolarHBondContact O-N 2.98Å; E221-I224 PolarHBondContact O-N 2.9Å; E221-R229 IonicContact OE1-CZ 2.86Å; E221-R229 IonicContact OE1-NH1 3.43Å; E221-R229 IonicContact OE1-NH2 2.83Å; E221-R229 PolarHBondContact OE1-NH2 3.41Å; E221-R229 IonicContact OE2-CZ 3.12Å; E221-R229 IonicContact OE2-NH1 2.62Å; E221-R229 PolarHBondContact OE2-NH1 3.37Å; E221-R229 IonicContact OE2-NH2 2.95Å; E221-R229 PolarHBondContact OE2-NH2 3.04Å; E221-R229 VanDerWaalsContact OE2-NH2 3.07Å
222L61.3Low61.8Low140 Ų14084.8 Ų84.873%0.73346%0.455SS*.THydrogen-bonded Turntrans-65.9-24.8-178.8-146.895.3000113.2W218 I220W218-L222 PolarHBondContact O-N 3.41Å; I220-L222 PolarHBondContact O-N 2.9Å
223F63.9Low61Low161 Ų16183.8 Ų83.871%0.70645%0.453SS*.THydrogen-bonded Turntrans-95.1-2.7-178.4-64.9-73.4000113.7V219 I220 E221 P225V219-F223 HydrophobicContact CG1-CE2 4.14Å; V219-F223 WeakPolarHBondContact O-CD2 3.23Å; V219-F223 WeakPolarHBondContact O-CE2 3.46Å; I220-F223 PolarHBondContact O-N 3.32Å; E221-F223 PolarHBondContact O-N 2.98Å; F223-P225 WeakPolarHBondContact O-CD 2.97Å
224I61.1Low60.7Low30 Ų3083.3 Ų83.315%0.15444%0.443CS..SBendtrans-97.8118.2-177.7-64.3164.8000109.9L216 I220 E221 S226 F228 R229 M232L216-I224 HydrophobicContact CD1-CD1 3.4Å; I220-I224 HydrophobicContact CG2-CD1 3.97Å; I220-I224 WeakPolarHBondContact O-CG1 3.22Å; E221-I224 PolarHBondContact O-N 2.9Å; I224-S226 PolarHBondContact O-N 3.47Å; I224-F228 HydrophobicContact CG2-CB 4.26Å; I224-F228 HydrophobicContact CG2-CD1 4.32Å; I224-R229 HydrophobicContact CG2-CB 4.11Å; I224-M232 HydrophobicContact CD1-CE 3.61Å; I224-M232 HydrophobicContact CG1-CE 4.23Å; I224-M232 HydrophobicContact CG2-CE 4.18Å
225P65.4Low60.8Low91 Ų9186.5 Ų86.559%0.59146%0.46SS*.  trans-57.1136.4171.8-2232.2000111.1F223 G227 F228 R229F223-P225 WeakPolarHBondContact O-CD 2.97Å; P225-G227 PolarHBondContact O-N 3.24Å; P225-F228 WeakPolarHBondContact O-CB 3.29Å; P225-F228 PolarHBondContact O-N 3.05Å; P225-R229 PolarHBondContact O-N 3.14Å
226S59.1Low61.3Low106 Ų10687.4 Ų87.474%0.74145%0.449SS*.Hα-helixtrans-54.2-32-176.953.80000114I224I224-S226 PolarHBondContact O-N 3.47Å
227G59.5Low62.2Low59 Ų5986.6 Ų86.661%0.60845%0.446SS*.Hα-helixtrans-69.3-30.6174.500000114.6P225P225-G227 PolarHBondContact O-N 3.24Å
228F59.9Low63.3Low121 Ų12184 Ų8453%0.53143%0.429SS..Hα-helixtrans-79.6-30.1178-161-110.9000111.8I224 P225 S231 M232I224-F228 HydrophobicContact CG2-CB 4.26Å; I224-F228 HydrophobicContact CG2-CD1 4.32Å; P225-F228 WeakPolarHBondContact O-CB 3.29Å; P225-F228 PolarHBondContact O-N 3.05Å; F228-S231 PolarHBondContact O-N 3.34Å; F228-S231 VanDerWaalsContact O-N 3.17Å; F228-M232 HydrophobicContact CD1-CE 4Å; F228-M232 HydrophobicContact CD1-CG 3.69Å; F228-M232 HydrophobicContact CD1-SD 3.9Å; F228-M232 HydrophobicContact CE1-CE 4.1Å; F228-M232 HydrophobicContact CE1-CG 3.51Å; F228-M232 HydrophobicContact CE1-SD 3.45Å; F228-M232 WeakPolarHBondContact CE1-SD 3.31Å; F228-M232 HydrophobicContact CG-CG 4.5Å; F228-M232 HydrophobicContact CZ-CG 4.18Å; F228-M232 HydrophobicContact CZ-SD 4.39Å; F228-M232 PolarHBondContact O-N 3.01Å
229R59.8Low64.7Low81 Ų8180.8 Ų80.831%0.30643%0.425SS..Hα-helixtrans-58.6-48.9178.8-164.1167.1-178.3149.91.5112.7E221 I224 P225 S231 M232 D233E221-R229 IonicContact OE1-CZ 2.86Å; E221-R229 IonicContact OE1-NH1 3.43Å; E221-R229 IonicContact OE1-NH2 2.83Å; E221-R229 PolarHBondContact OE1-NH2 3.41Å; E221-R229 IonicContact OE2-CZ 3.12Å; E221-R229 IonicContact OE2-NH1 2.62Å; E221-R229 PolarHBondContact OE2-NH1 3.37Å; E221-R229 IonicContact OE2-NH2 2.95Å; E221-R229 PolarHBondContact OE2-NH2 3.04Å; E221-R229 VanDerWaalsContact OE2-NH2 3.07Å; I224-R229 HydrophobicContact CG2-CB 4.11Å; P225-R229 PolarHBondContact O-N 3.14Å; R229-S231 PolarHBondContact O-N 3.22Å; R229-M232 PolarHBondContact O-N 2.72Å; R229-D233 WeakPolarHBondContact O-CB 3.42Å; R229-D233 PolarHBondContact O-N 3.48Å
230R59Low66.1Low195 Ų19579.8 Ų79.874%0.73642%0.417SS*.Hα-helixtrans-59.5-32.6176.3-74.8-173.6-178.91661.1113.6
231S58.5Low67.5Low58 Ų5877.3 Ų77.341%0.40641%0.407SS..Hα-helixtrans-79.5-37178.7-125.90000112.2F228 R229 L235F228-S231 PolarHBondContact O-N 3.34Å; F228-S231 VanDerWaalsContact O-N 3.17Å; R229-S231 PolarHBondContact O-N 3.22Å; S231-L235 PolarHBondContact O-N 2.92Å
232M58.9Low69Low42 Ų4278.5 Ų78.521%0.20741%0.408CS..Hα-helixtrans-70.1-41.6176-75-144.2-63.700112.8L216 I224 F228 R229 Q234 L235L216-M232 HydrophobicContact CD1-CE 4.4Å; I224-M232 HydrophobicContact CD1-CE 3.61Å; I224-M232 HydrophobicContact CG1-CE 4.23Å; I224-M232 HydrophobicContact CG2-CE 4.18Å; F228-M232 HydrophobicContact CD1-CE 4Å; F228-M232 HydrophobicContact CD1-CG 3.69Å; F228-M232 HydrophobicContact CD1-SD 3.9Å; F228-M232 HydrophobicContact CE1-CE 4.1Å; F228-M232 HydrophobicContact CE1-CG 3.51Å; F228-M232 HydrophobicContact CE1-SD 3.45Å; F228-M232 WeakPolarHBondContact CE1-SD 3.31Å; F228-M232 HydrophobicContact CG-CG 4.5Å; F228-M232 HydrophobicContact CZ-CG 4.18Å; F228-M232 HydrophobicContact CZ-SD 4.39Å; F228-M232 PolarHBondContact O-N 3.01Å; R229-M232 PolarHBondContact O-N 2.72Å; M232-Q234 PolarHBondContact O-N 3.3Å; M232-Q234 VanDerWaalsContact O-N 3.12Å; M232-L235 WeakPolarHBondContact O-CB 3.3Å; M232-L235 PolarHBondContact O-N 2.9Å; M232-L235 VanDerWaalsContact O-N 3.08Å
233D60.8Low70.5Confident34 Ų3472.3 Ų72.318%0.18238%0.375CS..Hα-helixtrans-60.3-26.7-179-72.8-24.8000112.4G213 I214 R229G213-D233 WeakPolarHBondContact CA-OD1 3.4Å; G213-D233 PolarHBondContact N-O 3.5Å; I214-D233 PolarHBondContact N-OD1 2.62Å; R229-D233 WeakPolarHBondContact O-CB 3.42Å; R229-D233 PolarHBondContact O-N 3.48Å
234Q61.2Low72Confident21 Ų2164.7 Ų64.710%0.09834%0.342CS..THydrogen-bonded Turntrans-98.4-7.3-179.1-64.8-178-8.400113.8M232 F236 T237 D347M232-Q234 PolarHBondContact O-N 3.3Å; M232-Q234 VanDerWaalsContact O-N 3.12Å; Q234-F236 VanDerWaalsContact C-N 3.34Å; Q234-T237 PolarHBondContact O-OG1 3.44Å; Q234-D347 VanDerWaalsContact NE2-CB 3.32Å
235L65.3Low73.6Confident124 Ų12465.7 Ų65.765%0.64935%0.345SS*.THydrogen-bonded Turntrans-72.4-30.6179.1-167.566.9000111.8S231 M232 T237S231-L235 PolarHBondContact O-N 2.92Å; M232-L235 WeakPolarHBondContact O-CB 3.3Å; M232-L235 PolarHBondContact O-N 2.9Å; M232-L235 VanDerWaalsContact O-N 3.08Å; L235-T237 VanDerWaalsContact C-N 3.33Å; L235-T237 PolarHBondContact O-N 3.13Å
236F68.3Low75Confident141 Ų14161.4 Ų61.462%0.61832%0.317SS*.THydrogen-bonded Turntrans-97.847.2178.9-60.5-83.1000111.7I214 Q234I214-F236 HydrophobicContact CD1-CD2 3.48Å; I214-F236 VanDerWaalsContact CD1-CD2 3.48Å; I214-F236 HydrophobicContact CD1-CE2 3.4Å; I214-F236 VanDerWaalsContact CD1-CE2 3.4Å; I214-F236 HydrophobicContact CD1-CZ 4.45Å; I214-F236 HydrophobicContact CG1-CD2 3.93Å; I214-F236 HydrophobicContact CG1-CE2 4.33Å; Q234-F236 VanDerWaalsContact C-N 3.34Å
237T76.8Confident76.7Confident28 Ų2856.4 Ų56.417%0.17228%0.282CS..  trans-108.8148.1175.556.40000110.3Q234 L235 K243 Y348Q234-T237 PolarHBondContact O-OG1 3.44Å; L235-T237 VanDerWaalsContact C-N 3.33Å; L235-T237 PolarHBondContact O-N 3.13Å; T237-K243 WeakPolarHBondContact OG1-CE 3.46Å; T237-K243 PolarHBondContact OG1-NZ 2.96Å; T237-Y348 HydrophobicContact CG2-CD2 4.23Å; T237-Y348 HydrophobicContact CG2-CE2 3.96Å
238P84.8Confident78.4Confident18 Ų1854.1 Ų54.112%0.11726%0.256CS..  trans-68.2174.5-176.929.9-35.8000111.8R242 K243 I246 Y281P238-R242 HydrophobicContact CB-CB 3.87Å; P238-R242 HydrophobicContact CG-CB 4.19Å; P238-K243 HydrophobicContact CG-CG 4.01Å; P238-K243 WeakPolarHBondContact O-CE 3.5Å; P238-K243 WeakPolarHBondContact O-CG 3.07Å; P238-I246 HydrophobicContact CG-CD1 4.2Å; P238-Y281 HydrophobicContact CB-CD1 4.17Å; P238-Y281 HydrophobicContact CB-CE1 3.64Å; P238-Y281 HydrophobicContact CG-CD1 4.26Å; P238-Y281 HydrophobicContact CG-CE1 4.13Å
239S89.8Confident80.1Confident54 Ų5448.8 Ų48.838%0.37824%0.235SC..  trans-55151.2174.9680000111.1P241 R242 K243S239-P241 VanDerWaalsContact C-CD 3.47Å; S239-P241 VanDerWaalsContact C-N 3.34Å; S239-R242 WeakPolarHBondContact O-CB 3.19Å; S239-R242 PolarHBondContact O-N 3.21Å; S239-R242 WeakPolarHBondContact OG-CD 3.37Å; S239-R242 WeakPolarHBondContact OG-CG 3.49Å; S239-K243 PolarHBondContact O-N 3Å
240W91.8Very high81.9Confident20 Ų2045 Ų458%0.07622%0.221CC..Hα-helixtrans-53.5-41.1-175.8-170.590.5000114.5R242 K243 A244 L349 G352 A353 P354 I357 L361 L393 K396W240-R242 VanDerWaalsContact C-N 3.29Å; W240-R242 PolarHBondContact O-N 3.1Å; W240-K243 WeakPolarHBondContact O-CB 3.44Å; W240-K243 PolarHBondContact O-N 3.39Å; W240-K243 VanDerWaalsContact O-N 3.17Å; W240-A244 HydrophobicContact CE3-CB 4.35Å; W240-A244 HydrophobicContact CH2-CB 3.9Å; W240-A244 HydrophobicContact CZ2-CB 4.37Å; W240-A244 HydrophobicContact CZ3-CB 3.9Å; W240-A244 PolarHBondContact O-N 3.16Å; W240-L349 PolarHBondContact NE1-O 2.93Å; W240-G352 WeakPolarHBondContact CB-O 3.47Å; W240-G352 VanDerWaalsContact CD1-O 3.28Å; W240-A353 VanDerWaalsContact CD1-CA 3.49Å; W240-P354 VanDerWaalsContact CD2-CD 3.46Å; W240-P354 HydrophobicContact CD2-CG 4.2Å; W240-P354 HydrophobicContact CE3-CG 3.98Å; W240-P354 HydrophobicContact CZ3-CG 4.29Å; W240-I357 HydrophobicContact CH2-CD1 3.14Å; W240-I357 HydrophobicContact CZ2-CD1 3.4Å; W240-I357 HydrophobicContact CZ3-CD1 3.95Å; W240-L361 HydrophobicContact CZ2-CD2 4.08Å; W240-L393 HydrophobicContact CH2-CD2 4Å; W240-L393 HydrophobicContact CZ2-CD2 4.04Å; W240-K396 HydrophobicContact CE3-CG 4.38Å; W240-K396 HydrophobicContact CH2-CB 4.11Å; W240-K396 HydrophobicContact CH2-CG 4.04Å; W240-K396 HydrophobicContact CZ3-CB 3.88Å; W240-K396 HydrophobicContact CZ3-CG 3.49Å; W240-K396 VanDerWaalsContact CZ3-CG 3.49Å
241P92.6Very high83.6Confident34 Ų3435.8 Ų35.822%0.22119%0.186CC..Hα-helixtrans-58.7-38.7175.4-25.535.2000113.5S239 A244 K245 I397S239-P241 VanDerWaalsContact C-CD 3.47Å; S239-P241 VanDerWaalsContact C-N 3.34Å; P241-A244 WeakPolarHBondContact O-CB 3.41Å; P241-A244 PolarHBondContact O-N 2.86Å; P241-K245 PolarHBondContact O-N 3.02Å; P241-I397 HydrophobicContact CB-CG2 4.12Å; P241-I397 WeakPolarHBondContact O-CG2 3.36Å
242R92.1Very high85.3Confident91 Ų9136.8 Ų36.834%0.34318%0.184SC..Hα-helixtrans-70.1-38.2177.2-65.3168.1177.9-1769.6111.5P238 S239 W240 A244 K245 I246 Y281P238-R242 HydrophobicContact CB-CB 3.87Å; P238-R242 HydrophobicContact CG-CB 4.19Å; S239-R242 WeakPolarHBondContact O-CB 3.19Å; S239-R242 PolarHBondContact O-N 3.21Å; S239-R242 WeakPolarHBondContact OG-CD 3.37Å; S239-R242 WeakPolarHBondContact OG-CG 3.49Å; W240-R242 VanDerWaalsContact C-N 3.29Å; W240-R242 PolarHBondContact O-N 3.1Å; R242-A244 VanDerWaalsContact C-N 3.3Å; R242-A244 PolarHBondContact O-N 3.22Å; R242-K245 PolarHBondContact O-N 2.76Å; R242-I246 WeakPolarHBondContact O-CG1 3.42Å; R242-I246 PolarHBondContact O-N 2.86Å; R242-Y281 HydrophobicContact CB-CD1 3.88Å; R242-Y281 HydrophobicContact CB-CD2 4.14Å; R242-Y281 HydrophobicContact CB-CE1 4.28Å; R242-Y281 HydrophobicContact CB-CG 3.8Å; R242-Y281 VanDerWaalsContact CD-CZ 3.45Å; R242-Y281 HydrophobicContact CG-CD1 4.3Å; R242-Y281 HydrophobicContact CG-CD2 3.71Å; R242-Y281 HydrophobicContact CG-CE1 4.49Å; R242-Y281 HydrophobicContact CG-CE2 3.93Å; R242-Y281 HydrophobicContact CG-CG 3.91Å; R242-Y281 PolarHBondContact NH1-OH 3.45Å
243K92.6Very high87Confident10 Ų1034.8 Ų34.84%0.04318%0.175CC..Hα-helixtrans-59.3-43.3171.4-60.1-170.6-168.6-171.30111.7T237 P238 S239 W240 I246 A247 Y348 L349 R351T237-K243 WeakPolarHBondContact OG1-CE 3.46Å; T237-K243 PolarHBondContact OG1-NZ 2.96Å; P238-K243 HydrophobicContact CG-CG 4.01Å; P238-K243 WeakPolarHBondContact O-CE 3.5Å; P238-K243 WeakPolarHBondContact O-CG 3.07Å; S239-K243 PolarHBondContact O-N 3Å; W240-K243 WeakPolarHBondContact O-CB 3.44Å; W240-K243 PolarHBondContact O-N 3.39Å; W240-K243 VanDerWaalsContact O-N 3.17Å; K243-I246 PolarHBondContact O-N 3.4Å; K243-A247 VanDerWaalsContact O-CB 3.31Å; K243-A247 WeakPolarHBondContact O-CB 3.37Å; K243-A247 PolarHBondContact O-N 3.35Å; K243-Y348 HydrophobicContact CB-CD1 4.18Å; K243-Y348 HydrophobicContact CB-CE1 3.49Å; K243-Y348 VanDerWaalsContact CB-CE1 3.49Å; K243-Y348 HydrophobicContact CD-CD1 4.48Å; K243-Y348 HydrophobicContact CD-CD2 4.46Å; K243-Y348 HydrophobicContact CD-CE1 4.23Å; K243-Y348 HydrophobicContact CD-CE2 4.22Å; K243-Y348 VanDerWaalsContact CD-O 3.26Å; K243-Y348 WeakPolarHBondContact CD-O 3.39Å; K243-Y348 HydrophobicContact CG-CE1 3.9Å; K243-Y348 HydrophobicContact CG-CE2 4.23Å; K243-Y348 PolarHBondContact NZ-O 3.27Å; K243-L349 HydrophobicContact CB-CD2 4.34Å; K243-R351 PolarHBondContact NZ-O 2.84Å
244A94.7Very high88.6Confident0 Ų033.2 Ų33.20%017%0.166CC..Hα-helixtrans-63.3-42.5177.700000111.3W240 P241 R242 A247 I248 L393 I397W240-A244 HydrophobicContact CE3-CB 4.35Å; W240-A244 HydrophobicContact CH2-CB 3.9Å; W240-A244 HydrophobicContact CZ2-CB 4.37Å; W240-A244 HydrophobicContact CZ3-CB 3.9Å; W240-A244 PolarHBondContact O-N 3.16Å; P241-A244 WeakPolarHBondContact O-CB 3.41Å; P241-A244 PolarHBondContact O-N 2.86Å; R242-A244 VanDerWaalsContact C-N 3.3Å; R242-A244 PolarHBondContact O-N 3.22Å; A244-A247 PolarHBondContact O-N 3.49Å; A244-I248 VanDerWaalsContact O-CG1 3.31Å; A244-I248 WeakPolarHBondContact O-CG1 3.42Å; A244-I248 PolarHBondContact O-N 3.47Å; A244-L393 HydrophobicContact CB-CB 4.39Å; A244-L393 HydrophobicContact CB-CD2 4.03Å; A244-I397 HydrophobicContact CB-CG2 3.66Å
245K94.4Very high90.1Very high52 Ų5235.9 Ų35.923%0.22618%0.178CC..Hα-helixtrans-57.8-49.8173.6-171.8179.6177.5-171.60112.2P241 R242 A247 I248 G249 K280 D282 I397P241-K245 PolarHBondContact O-N 3.02Å; R242-K245 PolarHBondContact O-N 2.76Å; K245-A247 VanDerWaalsContact C-N 3.31Å; K245-A247 PolarHBondContact O-N 3.39Å; K245-I248 PolarHBondContact O-N 3.28Å; K245-G249 PolarHBondContact O-N 3.37Å; K245-K280 PolarHBondContact NZ-O 3.2Å; K245-D282 WeakPolarHBondContact CE-OD1 3.18Å; K245-D282 IonicContact NZ-OD1 3.84Å; K245-D282 PolarHBondContact NZ-OD1 3.03Å; K245-I397 HydrophobicContact CB-CD1 4.42Å
246I94.8Very high91.3Very high1 Ų131.9 Ų31.91%0.00516%0.158CC..Hα-helixtrans-61-41.6177.3-62.5162.5000111.3L211 P238 R242 K243 I248 G249 L250 Y277 Y281 L283 Y348L211-I246 HydrophobicContact CD1-CB 4.44Å; L211-I246 HydrophobicContact CD1-CG2 3.4Å; L211-I246 VanDerWaalsContact CD1-CG2 3.4Å; P238-I246 HydrophobicContact CG-CD1 4.2Å; R242-I246 WeakPolarHBondContact O-CG1 3.42Å; R242-I246 PolarHBondContact O-N 2.86Å; K243-I246 PolarHBondContact O-N 3.4Å; I246-I248 PolarHBondContact O-N 3.3Å; I246-G249 PolarHBondContact O-N 2.93Å; I246-L250 PolarHBondContact O-N 3Å; I246-L250 VanDerWaalsContact O-N 3.13Å; I246-Y277 HydrophobicContact CD1-CD1 3.76Å; I246-Y277 HydrophobicContact CD1-CD2 4.08Å; I246-Y277 HydrophobicContact CD1-CE1 4.2Å; I246-Y277 HydrophobicContact CD1-CE2 4.48Å; I246-Y277 HydrophobicContact CD1-CG 3.71Å; I246-Y277 HydrophobicContact CG1-CG 4.29Å; I246-Y281 HydrophobicContact CD1-CD1 4.03Å; I246-Y281 VanDerWaalsContact CG1-O 3.25Å; I246-Y281 WeakPolarHBondContact CG1-O 3.5Å; I246-L283 HydrophobicContact CG2-CB 4.25Å; I246-L283 HydrophobicContact CG2-CD1 3.56Å; I246-Y348 WeakPolarHBondContact CD1-OH 3.46Å
247A95.9Very high92.4Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-64.5-38.1179.300000112.7K243 A244 K245 G249 L250 L251 L345 L349 L393K243-A247 VanDerWaalsContact O-CB 3.31Å; K243-A247 WeakPolarHBondContact O-CB 3.37Å; K243-A247 PolarHBondContact O-N 3.35Å; A244-A247 PolarHBondContact O-N 3.49Å; K245-A247 VanDerWaalsContact C-N 3.31Å; K245-A247 PolarHBondContact O-N 3.39Å; A247-G249 VanDerWaalsContact C-N 3.34Å; A247-L250 PolarHBondContact O-N 2.99Å; A247-L251 WeakPolarHBondContact O-CG 3.43Å; A247-L251 PolarHBondContact O-N 2.74Å; A247-L251 VanDerWaalsContact O-N 3.08Å; A247-L345 HydrophobicContact CB-CD1 3.99Å; A247-L345 HydrophobicContact CB-CD2 3.65Å; A247-L345 HydrophobicContact CB-CG 4.43Å; A247-L349 HydrophobicContact CB-CD1 3.96Å; A247-L349 HydrophobicContact CB-CD2 3.8Å; A247-L349 HydrophobicContact CB-CG 4.21Å; A247-L393 HydrophobicContact CB-CD1 4.07Å
248I95.4Very high92.7Very high11 Ų1124.8 Ų24.86%0.05613%0.125CC..Hα-helixtrans-59.9-47172.9-69.5168.1000109.9A244 K245 I246 L250 L251 E252 L393 W394 I397A244-I248 VanDerWaalsContact O-CG1 3.31Å; A244-I248 WeakPolarHBondContact O-CG1 3.42Å; A244-I248 PolarHBondContact O-N 3.47Å; K245-I248 PolarHBondContact O-N 3.28Å; I246-I248 PolarHBondContact O-N 3.3Å; I248-L250 PolarHBondContact O-N 3.03Å; I248-L251 PolarHBondContact O-N 2.89Å; I248-E252 HydrophobicContact CG2-CG 4.32Å; I248-E252 WeakPolarHBondContact CG2-OE1 3.06Å; I248-E252 WeakPolarHBondContact O-CG 3.39Å; I248-E252 PolarHBondContact O-N 3.18Å; I248-L393 HydrophobicContact CD1-CB 3.77Å; I248-L393 HydrophobicContact CG1-CB 3.79Å; I248-L393 HydrophobicContact CG1-CD1 3.97Å; I248-W394 HydrophobicContact CD1-CB 4.3Å; I248-W394 HydrophobicContact CD1-CE3 4.04Å; I248-I397 HydrophobicContact CD1-CD1 3.61Å
249G95.4Very high92.2Very high9 Ų928.1 Ų28.19%0.09314%0.138CC..Hα-helixtrans-57.6-31.6175.900000113.6K245 I246 A247 F253 L283K245-G249 PolarHBondContact O-N 3.37Å; I246-G249 PolarHBondContact O-N 2.93Å; A247-G249 VanDerWaalsContact C-N 3.34Å; G249-F253 WeakPolarHBondContact O-CB 3.26Å; G249-F253 PolarHBondContact O-N 3.43Å; G249-L283 VanDerWaalsContact C-CD2 3.47Å
250L96.5Very high91.8Very high1 Ų126.3 Ų26.31%0.00513%0.128CC..Hα-helixtrans-73-39.7176-177.661.3000111.7I246 A247 I248 E252 F253 V254 L275 L283 A341 L344 L345I246-L250 PolarHBondContact O-N 3Å; I246-L250 VanDerWaalsContact O-N 3.13Å; A247-L250 PolarHBondContact O-N 2.99Å; I248-L250 PolarHBondContact O-N 3.03Å; L250-E252 VanDerWaalsContact C-N 3.34Å; L250-F253 HydrophobicContact CD1-CD1 4.45Å; L250-F253 PolarHBondContact O-N 2.97Å; L250-V254 VanDerWaalsContact O-CG2 3.3Å; L250-V254 WeakPolarHBondContact O-CG2 3.39Å; L250-V254 PolarHBondContact O-N 3.1Å; L250-L275 HydrophobicContact CD1-CD1 3.92Å; L250-L275 HydrophobicContact CD1-CD2 3.96Å; L250-L275 HydrophobicContact CD2-CD1 3.85Å; L250-L275 HydrophobicContact CG-CD1 4.49Å; L250-L283 HydrophobicContact CB-CD2 3.75Å; L250-L283 HydrophobicContact CD1-CD2 4.02Å; L250-L283 VanDerWaalsContact N-CD2 3.34Å; L250-A341 HydrophobicContact CD2-CB 4.06Å; L250-A341 HydrophobicContact CG-CB 4.23Å; L250-L344 HydrophobicContact CD2-CD2 4.28Å; L250-L345 HydrophobicContact CD2-CD1 4.05Å; L250-L345 HydrophobicContact CD2-CD2 4.02Å; L250-L345 HydrophobicContact CD2-CG 3.92Å
251L95.5Very high91.4Very high2 Ų228.9 Ų28.91%0.0115%0.147CC..Hα-helixtrans-66.4-39.1176.2-64.3173.1000111.1A247 I248 V254 E255 L338 L345 L389 K390 L393A247-L251 WeakPolarHBondContact O-CG 3.43Å; A247-L251 PolarHBondContact O-N 2.74Å; A247-L251 VanDerWaalsContact O-N 3.08Å; I248-L251 PolarHBondContact O-N 2.89Å; L251-V254 PolarHBondContact O-N 3.25Å; L251-E255 PolarHBondContact O-N 3.36Å; L251-L338 HydrophobicContact CD2-CD1 3.61Å; L251-L345 HydrophobicContact CD2-CD1 4.36Å; L251-L345 HydrophobicContact CG-CD1 4.43Å; L251-L389 HydrophobicContact CD1-CB 3.91Å; L251-K390 HydrophobicContact CB-CD 4.28Å; L251-K390 HydrophobicContact CB-CG 3.96Å; L251-K390 HydrophobicContact CD1-CG 3.92Å; L251-L393 HydrophobicContact CD1-CD1 4.38Å
252E94.4Very high91.1Very high80 Ų8028.5 Ų28.537%0.37414%0.142SC..Hα-helixtrans-64.8-41.6173-70.2171.7171.200111.8I248 L250 V254 E255 D256 K390I248-E252 HydrophobicContact CG2-CG 4.32Å; I248-E252 WeakPolarHBondContact CG2-OE1 3.06Å; I248-E252 WeakPolarHBondContact O-CG 3.39Å; I248-E252 PolarHBondContact O-N 3.18Å; L250-E252 VanDerWaalsContact C-N 3.34Å; E252-V254 VanDerWaalsContact C-N 3.34Å; E252-V254 PolarHBondContact O-N 3.47Å; E252-E255 WeakPolarHBondContact O-CB 3.26Å; E252-E255 PolarHBondContact O-N 2.81Å; E252-D256 PolarHBondContact O-N 3.15Å; E252-K390 HydrophobicContact CG-CD 4.19Å
253F95Very high90.8Very high0 Ų024.6 Ų24.60%013%0.13CC..Hα-helixtrans-59.4-45.5172.8176.2-108000111.9L184 H189 G249 L250 E255 D256 V257 M267 M285 M288 I291L184-F253 HydrophobicContact CD1-CD2 4.35Å; L184-F253 HydrophobicContact CD1-CE2 3.74Å; H189-F253 HydrophobicContact CB-CB 4.38Å; H189-F253 AromaticContact CD2-CD2 3.34Å; H189-F253 WeakPolarHBondContact CD2-CD2 2.98Å; H189-F253 AromaticContact CG-CD2 3.95Å; H189-F253 AromaticContact NE2-CD2 3.53Å; G249-F253 WeakPolarHBondContact O-CB 3.26Å; G249-F253 PolarHBondContact O-N 3.43Å; L250-F253 HydrophobicContact CD1-CD1 4.45Å; L250-F253 PolarHBondContact O-N 2.97Å; F253-E255 VanDerWaalsContact C-N 3.26Å; F253-E255 PolarHBondContact O-N 3.15Å; F253-D256 PolarHBondContact O-N 3.14Å; F253-D256 VanDerWaalsContact O-N 3.14Å; F253-V257 HydrophobicContact CD2-CG1 4.04Å; F253-V257 HydrophobicContact CE1-CG1 3.98Å; F253-V257 HydrophobicContact CE1-CG2 4.42Å; F253-V257 HydrophobicContact CE2-CG1 3.5Å; F253-V257 VanDerWaalsContact CE2-CG1 3.5Å; F253-V257 HydrophobicContact CZ-CG1 3.47Å; F253-V257 VanDerWaalsContact CZ-CG1 3.47Å; F253-V257 WeakPolarHBondContact O-CG2 3.21Å; F253-V257 PolarHBondContact O-N 3.17Å; F253-M267 HydrophobicContact CD1-CE 4.2Å; F253-M267 HydrophobicContact CD1-SD 4.15Å; F253-M267 HydrophobicContact CE1-CE 3.89Å; F253-M267 HydrophobicContact CE1-CG 4.39Å; F253-M267 HydrophobicContact CE1-SD 3.87Å; F253-M285 HydrophobicContact CD1-CE 4.02Å; F253-M285 HydrophobicContact CD1-CG 4.18Å; F253-M285 HydrophobicContact CD1-SD 3.62Å; F253-M285 HydrophobicContact CD2-CG 3.81Å; F253-M285 HydrophobicContact CD2-SD 4.31Å; F253-M285 HydrophobicContact CE1-CE 3.45Å; F253-M285 VanDerWaalsContact CE1-CE 3.45Å; F253-M285 HydrophobicContact CE1-CG 4.04Å; F253-M285 HydrophobicContact CE1-SD 3.65Å; F253-M285 HydrophobicContact CE2-CG 3.62Å; F253-M285 HydrophobicContact CE2-SD 4.31Å; F253-M285 HydrophobicContact CG-CG 4.05Å; F253-M285 HydrophobicContact CG-SD 3.94Å; F253-M285 HydrophobicContact CZ-CE 3.77Å; F253-M285 HydrophobicContact CZ-CG 3.74Å; F253-M285 HydrophobicContact CZ-SD 3.99Å; F253-M288 HydrophobicContact CE2-SD 4.36Å; F253-M288 HydrophobicContact CZ-SD 4.42Å; F253-I291 HydrophobicContact CE1-CD1 3.73Å; F253-I291 HydrophobicContact CZ-CD1 3.43Å; F253-I291 VanDerWaalsContact CZ-CD1 3.43Å
254V94Very high90.6Very high0 Ų026.4 Ų26.40%014%0.14CC..Hα-helixtrans-58.2-40.8177.3167.90000111.2L250 L251 E252 V257 F258 M267 N337 L338 A341 L386L250-V254 VanDerWaalsContact O-CG2 3.3Å; L250-V254 WeakPolarHBondContact O-CG2 3.39Å; L250-V254 PolarHBondContact O-N 3.1Å; L251-V254 PolarHBondContact O-N 3.25Å; E252-V254 VanDerWaalsContact C-N 3.34Å; E252-V254 PolarHBondContact O-N 3.47Å; V254-V257 WeakPolarHBondContact O-CG2 3.27Å; V254-F258 WeakPolarHBondContact O-CB 3.49Å; V254-F258 PolarHBondContact O-N 2.87Å; V254-M267 HydrophobicContact CG2-SD 4Å; V254-N337 HydrophobicContact CG1-CB 3.96Å; V254-L338 HydrophobicContact CG1-CB 4.03Å; V254-A341 HydrophobicContact CG2-CB 3.8Å; V254-L386 HydrophobicContact CG1-CD1 4.44Å
255E91.3Very high90.6Very high77 Ų7726.7 Ų26.736%0.3614%0.141SC..Hα-helixtrans-67.7-37.5175.1-176.4176-166.600112.7L251 E252 F253 F258 L386 K390L251-E255 PolarHBondContact O-N 3.36Å; E252-E255 WeakPolarHBondContact O-CB 3.26Å; E252-E255 PolarHBondContact O-N 2.81Å; F253-E255 VanDerWaalsContact C-N 3.26Å; F253-E255 PolarHBondContact O-N 3.15Å; E255-F258 CarbonylContact C-O 3.49Å; E255-F258 CarbonylContact O-C 3.57Å; E255-F258 PolarHBondContact O-N 3.16Å; E255-L386 HydrophobicContact CB-CD1 4.16Å; E255-L386 HydrophobicContact CB-CD2 4.44Å; E255-K390 IonicContact OE1-NZ 2.83Å; E255-K390 IonicContact OE2-NZ 2.85Å; E255-K390 PolarHBondContact OE2-NZ 3.08Å
256D91.7Very high90.5Very high41 Ų4124.7 Ų24.722%0.21913%0.133CC..Hα-helixtrans-72.3-31178.8-81.7-26.4000112.9L184 K187 H189 E252 F253L184-D256 HydrophobicContact CD2-CB 4.08Å; K187-D256 WeakPolarHBondContact CD-OD2 3.49Å; K187-D256 WeakPolarHBondContact CE-OD2 3.45Å; K187-D256 IonicContact NZ-OD1 2.79Å; K187-D256 PolarHBondContact NZ-OD1 2.95Å; K187-D256 IonicContact NZ-OD2 2.79Å; K187-D256 PolarHBondContact NZ-OD2 2.92Å; H189-D256 IonicContact CE1-OD2 3.65Å; H189-D256 PolarHBondContact CE1-OD2 3.22Å; H189-D256 IonicContact NE2-OD2 3.71Å; E252-D256 PolarHBondContact O-N 3.15Å; F253-D256 PolarHBondContact O-N 3.14Å; F253-D256 VanDerWaalsContact O-N 3.14Å
257V91.3Very high90.5Very high1 Ų124.9 Ų24.91%0.00613%0.134CC..Hα-helixtrans-85.9-16175.8-590000113.5L184 F253 V254 F265L184-V257 HydrophobicContact CD1-CG1 4.02Å; F253-V257 HydrophobicContact CD2-CG1 4.04Å; F253-V257 HydrophobicContact CE1-CG1 3.98Å; F253-V257 HydrophobicContact CE1-CG2 4.42Å; F253-V257 HydrophobicContact CE2-CG1 3.5Å; F253-V257 VanDerWaalsContact CE2-CG1 3.5Å; F253-V257 HydrophobicContact CZ-CG1 3.47Å; F253-V257 VanDerWaalsContact CZ-CG1 3.47Å; F253-V257 WeakPolarHBondContact O-CG2 3.21Å; F253-V257 PolarHBondContact O-N 3.17Å; V254-V257 WeakPolarHBondContact O-CG2 3.27Å; V257-F265 HydrophobicContact CB-CB 4.17Å; V257-F265 PolarHBondContact O-N 3.38Å
258F83Confident90.3Very high19 Ų1924.9 Ų24.98%0.08313%0.134CC..SBendtrans-120.6108.2-179.9-171.6-96.3000108.9V254 E255 H382V254-F258 WeakPolarHBondContact O-CB 3.49Å; V254-F258 PolarHBondContact O-N 2.87Å; E255-F258 CarbonylContact C-O 3.49Å; E255-F258 CarbonylContact O-C 3.57Å; E255-F258 PolarHBondContact O-N 3.16Å; F258-H382 AromaticContact CD1-CE1 3.36Å; F258-H382 WeakPolarHBondContact CD1-CE1 3.41Å; F258-H382 AromaticContact CD1-ND1 3.78Å; F258-H382 AromaticContact CD1-NE2 3.84Å; F258-H382 AromaticContact CE1-CE1 3.72Å; F258-H382 AromaticContact CE1-ND1 3.74Å
259H74.8Confident90.1Very high88 Ų8825.7 Ų25.741%0.40714%0.138SC..SBendtrans86.216.9-162.4-47.8-63.6000116.2N264 E379H259-N264 PolarHBondContact N-OD1 2.72Å; H259-E379 IonicContact CE1-OE1 3.27Å
260G79.9Confident89.9Confident16 Ų1626.4 Ų26.417%0.16514%0.141CC..  trans-62.4158.6171.600000113.2Y262 G263G260-Y262 PolarHBondContact O-N 3.33Å; G260-G263 PolarHBondContact O-N 2.84Å
261P83.2Confident89.5Confident73 Ų7327.5 Ų27.547%0.47415%0.149SC..THydrogen-bonded Turntrans-64.6-10.1-178.126.7-35.2000114.3
262Y86.4Confident89.2Confident27 Ų2728 Ų2811%0.10615%0.153CC..THydrogen-bonded Turntrans-118.320.6-176.6-48.5-59.5000113N141 L145 I183 G260N141-Y262 HydrophobicContact CB-CD1 4.18Å; N141-Y262 HydrophobicContact CB-CE1 3.87Å; N141-Y262 WeakPolarHBondContact O-CE1 3.23Å; L145-Y262 HydrophobicContact CB-CD1 4.06Å; L145-Y262 HydrophobicContact CB-CE1 3.68Å; L145-Y262 HydrophobicContact CD1-CD2 4.48Å; L145-Y262 HydrophobicContact CD1-CE2 4.14Å; L145-Y262 HydrophobicContact CD2-CD1 4.14Å; L145-Y262 HydrophobicContact CD2-CD2 4.43Å; L145-Y262 HydrophobicContact CD2-CG 4.11Å; L145-Y262 HydrophobicContact CG-CE1 4.5Å; I183-Y262 HydrophobicContact CB-CD2 4.28Å; I183-Y262 HydrophobicContact CB-CE2 4.42Å; I183-Y262 HydrophobicContact CD1-CD2 3.88Å; I183-Y262 HydrophobicContact CG1-CD2 3.74Å; I183-Y262 HydrophobicContact CG1-CE2 4.01Å; I183-Y262 HydrophobicContact CG2-CD2 3.63Å; I183-Y262 HydrophobicContact CG2-CE2 3.93Å; G260-Y262 PolarHBondContact O-N 3.33Å
263G86.3Confident88.9Confident9 Ų930.2 Ų30.29%0.09316%0.161CC..  trans96.6-177.317800000113.9G260G260-G263 PolarHBondContact O-N 2.84Å
264N89.8Confident88.7Confident47 Ų4730.8 Ų30.825%0.25116%0.164SC..  trans-86.6133.9-176.3-64.5-26.3000111.8H259 E294H259-N264 PolarHBondContact N-OD1 2.72Å; N264-E294 HydrophobicContact CB-CB 4.15Å; N264-E294 WeakPolarHBondContact CB-OE2 3.41Å; N264-E294 PolarHBondContact ND2-OE2 3.38Å; N264-E294 WeakPolarHBondContact O-CB 3.23Å; N264-E294 PolarHBondContact O-N 3.02Å
265F93.1Very high88.6Confident6 Ų631 Ų313%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-111.3140.8170.4-65.1-100000110.1L136 L180 I183 V257 I291 V292 P293 N337L136-F265 HydrophobicContact CD2-CE1 3.92Å; L136-F265 HydrophobicContact CD2-CZ 3.61Å; L180-F265 HydrophobicContact CD2-CD1 3.79Å; L180-F265 HydrophobicContact CD2-CD2 4.41Å; L180-F265 HydrophobicContact CD2-CE1 3.86Å; L180-F265 HydrophobicContact CD2-CE2 4.5Å; L180-F265 HydrophobicContact CD2-CG 4.07Å; L180-F265 HydrophobicContact CD2-CZ 4.23Å; L180-F265 HydrophobicContact CG-CD1 4.47Å; L180-F265 HydrophobicContact CG-CE1 4.43Å; I183-F265 HydrophobicContact CD1-CE2 4.41Å; I183-F265 HydrophobicContact CD1-CZ 3.84Å; V257-F265 HydrophobicContact CB-CB 4.17Å; V257-F265 PolarHBondContact O-N 3.38Å; F265-I291 HydrophobicContact CB-CG2 3.83Å; F265-V292 CarbonylContact C-O 3.59Å; F265-V292 WeakPolarHBondContact CA-O 3.22Å; F265-P293 HydrophobicContact CD1-CB 4.46Å; F265-P293 HydrophobicContact CD1-CG 4.06Å; F265-P293 HydrophobicContact CE1-CB 4.42Å; F265-P293 HydrophobicContact CE1-CG 3.78Å; F265-N337 PolarHBondContact O-ND2 3.17Å
266L92.9Very high88.7Confident11 Ų1127.3 Ų27.36%0.05815%0.148CC..EExtended strand (participates in β ladder)trans-108.3128.5-179-62.2174.3000110.4C268 I291 V292 E294 L297 V333 N337L266-C268 PolarHBondContact O-N 2.96Å; L266-I291 VanDerWaalsContact O-CA 3.32Å; L266-I291 WeakPolarHBondContact O-CA 3.28Å; L266-V292 HydrophobicContact CB-CG2 4.31Å; L266-V292 PolarHBondContact N-O 2.89Å; L266-V292 PolarHBondContact O-N 2.98Å; L266-E294 HydrophobicContact CD1-CB 4.16Å; L266-E294 HydrophobicContact CD1-CG 4.08Å; L266-E294 HydrophobicContact CG-CB 4.27Å; L266-L297 HydrophobicContact CD1-CB 4.41Å; L266-L297 HydrophobicContact CD1-CD2 3.41Å; L266-L297 VanDerWaalsContact CD1-CD2 3.41Å; L266-V333 HydrophobicContact CD1-CG2 3.78Å; L266-N337 WeakPolarHBondContact CA-OD1 3.13Å
267M94.3Very high88.8Confident5 Ų526.2 Ų26.23%0.02514%0.141CC..EExtended strand (participates in β ladder)trans-81.8100.6175.9-62.8174.268.100110.2F253 V254 T270 M285 I291 N337 K340F253-M267 HydrophobicContact CD1-CE 4.2Å; F253-M267 HydrophobicContact CD1-SD 4.15Å; F253-M267 HydrophobicContact CE1-CE 3.89Å; F253-M267 HydrophobicContact CE1-CG 4.39Å; F253-M267 HydrophobicContact CE1-SD 3.87Å; V254-M267 HydrophobicContact CG2-SD 4Å; M267-T270 HydrophobicContact CE-CG2 4.28Å; M267-M285 HydrophobicContact CE-CE 4.31Å; M267-I291 HydrophobicContact CG-CD1 4.23Å; M267-I291 HydrophobicContact CG-CG1 4.24Å; M267-N337 PolarHBondContact N-OD1 3.4Å; M267-N337 HydrophobicContact SD-CB 4.27Å; M267-K340 WeakPolarHBondContact O-CE 3.33Å; M267-K340 PolarHBondContact O-NZ 2.71Å
268C92.4Very high88.8Confident0 Ų027.3 Ų27.30%015%0.147CC..SBendtrans-101.517.6-176.7-56.40000114.5L266 K290 Y314 G315 T316 D317 C318L266-C268 PolarHBondContact O-N 2.96Å; C268-K290 WeakPolarHBondContact CA-O 3.4Å; C268-K290 VanDerWaalsContact CB-O 3.31Å; C268-K290 WeakPolarHBondContact CB-O 3.24Å; C268-K290 PolarHBondContact N-O 2.76Å; C268-Y314 HydrophobicContact CB-CD1 3.74Å; C268-Y314 HydrophobicContact CB-CE1 4.15Å; C268-G315 WeakPolarHBondContact O-CA 3.44Å; C268-T316 PolarHBondContact O-N 2.86Å; C268-D317 WeakPolarHBondContact CA-OD1 3.48Å; C268-D317 VanDerWaalsContact O-OD1 3.07Å; C268-C318 WeakPolarHBondContact CA-SG 2.96Å; C268-C318 HydrophobicContact CB-CB 3.67Å; C268-C318 WeakPolarHBondContact CB-SG 3.14Å; C268-C318 WeakPolarHBondContact SG-CB 3.26Å; C268-C318 CovalentContact SG-SG 2.03Å; C268-C318 PolarHBondContact SG-SG 3.4Å
269D91Very high89.1Confident28 Ų2831.4 Ų31.415%0.1517%0.169CC..  trans-151.977163.2-173.8-7.9000109.8S271 K273 N274 K290 T316 D317D269-S271 PolarHBondContact O-N 3.26Å; D269-S271 PolarHBondContact OD1-OG 3.12Å; D269-K273 IonicContact OD2-NZ 2.66Å; D269-N274 PolarHBondContact O-ND2 3.48Å; D269-N274 PolarHBondContact OD1-ND2 3.42Å; D269-N274 VanDerWaalsContact OD1-ND2 3.14Å; D269-N274 PolarHBondContact OD2-ND2 2.99Å; D269-N274 VanDerWaalsContact OD2-ND2 3.15Å; D269-K290 HydrophobicContact CB-CB 3.57Å; D269-K290 HydrophobicContact CB-CG 3.91Å; D269-T316 WeakPolarHBondContact CA-OG1 3.23Å; D269-D317 PolarHBondContact N-OD1 2.74Å
270T90.8Very high89.9Confident23 Ų2334.3 Ų34.314%0.14118%0.181CC..  trans-84.988.8177.4-42.50000109.6M267 D317 K340 L344M267-T270 HydrophobicContact CE-CG2 4.28Å; T270-D317 WeakPolarHBondContact CA-OD2 3.48Å; T270-D317 WeakPolarHBondContact CB-OD2 3.21Å; T270-D317 PolarHBondContact N-OD2 3.1Å; T270-D317 PolarHBondContact OG1-OD2 3.47Å; T270-K340 HydrophobicContact CG2-CB 4.15Å; T270-L344 HydrophobicContact CG2-CB 4.45Å; T270-L344 HydrophobicContact CG2-CD2 4.24Å
271S89.1Confident90.5Very high25 Ų2535.5 Ų35.518%0.17518%0.181CC..  trans-135.5150.2179.660.20000112.2D269 K273 N274D269-S271 PolarHBondContact O-N 3.26Å; D269-S271 PolarHBondContact OD1-OG 3.12Å; S271-K273 PolarHBondContact O-N 3.43Å; S271-K273 VanDerWaalsContact O-N 3.1Å; S271-K273 WeakPolarHBondContact OG-CE 3.38Å; S271-K273 WeakPolarHBondContact OG-CG 3.34Å; S271-N274 PolarHBondContact O-N 2.92Å; S271-N274 PolarHBondContact OG-ND2 2.97Å; S271-N274 VanDerWaalsContact OG-ND2 3.15Å
272A89.2Confident90.9Very high11 Ų1133.6 Ų33.69%0.09117%0.166CC..G310 helixtrans-57.4-28.6-177.200000113.4S210 L211 Y212 N274 L275 L344S210-A272 WeakPolarHBondContact CA-O 3.38Å; S210-A272 PolarHBondContact OG-O 3.43Å; L211-A272 HydrophobicContact CB-CB 4.13Å; L211-A272 PolarHBondContact N-O 3.29Å; Y212-A272 HydrophobicContact CD1-CB 4.02Å; Y212-A272 HydrophobicContact CD2-CB 4.02Å; Y212-A272 HydrophobicContact CE1-CB 3.76Å; Y212-A272 HydrophobicContact CE2-CB 3.74Å; Y212-A272 HydrophobicContact CG-CB 4.15Å; A272-N274 VanDerWaalsContact C-N 3.28Å; A272-N274 PolarHBondContact O-N 3.35Å; A272-L275 PolarHBondContact O-N 3.01Å; A272-L344 HydrophobicContact CB-CD1 4.28Å
273K86.9Confident91.4Very high127 Ų12732.5 Ų32.555%0.55216%0.163SC*.G310 helixtrans-71-17.3177.359.5166.7-172.4179.50114.4D269 S271D269-K273 IonicContact OD2-NZ 2.66Å; S271-K273 PolarHBondContact O-N 3.43Å; S271-K273 VanDerWaalsContact O-N 3.1Å; S271-K273 WeakPolarHBondContact OG-CE 3.38Å; S271-K273 WeakPolarHBondContact OG-CG 3.34Å
274N90.8Very high91.8Very high12 Ų1233.2 Ų33.26%0.06416%0.163CC..G310 helixtrans-94.9-6.9179.3-64.2-14.1000111.3D269 S271 A272 V286 D287D269-N274 PolarHBondContact O-ND2 3.48Å; D269-N274 PolarHBondContact OD1-ND2 3.42Å; D269-N274 VanDerWaalsContact OD1-ND2 3.14Å; D269-N274 PolarHBondContact OD2-ND2 2.99Å; D269-N274 VanDerWaalsContact OD2-ND2 3.15Å; S271-N274 PolarHBondContact O-N 2.92Å; S271-N274 PolarHBondContact OG-ND2 2.97Å; S271-N274 VanDerWaalsContact OG-ND2 3.15Å; A272-N274 VanDerWaalsContact C-N 3.28Å; A272-N274 PolarHBondContact O-N 3.35Å; N274-V286 PolarHBondContact O-N 3.36Å; N274-D287 HydrophobicContact CB-CB 4.2Å; N274-D287 PolarHBondContact O-N 2.9Å
275L93Very high92Very high4 Ų431.1 Ų31.12%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-112.2139.1179.1-59.9-176.3000109.7T209 S210 L211 L250 A272 L283 M285 L344T209-L275 CarbonylContact C-O 3.26Å; S210-L275 CarbonylContact C-O 3.4Å; S210-L275 WeakPolarHBondContact CA-O 3.31Å; S210-L275 PolarHBondContact N-O 2.96Å; L211-L275 HydrophobicContact CB-CB 4.19Å; L211-L275 HydrophobicContact CD2-CD1 4.24Å; L211-L275 PolarHBondContact N-O 3.47Å; L250-L275 HydrophobicContact CD1-CD1 3.92Å; L250-L275 HydrophobicContact CD1-CD2 3.96Å; L250-L275 HydrophobicContact CD2-CD1 3.85Å; L250-L275 HydrophobicContact CG-CD1 4.49Å; A272-L275 PolarHBondContact O-N 3.01Å; L275-L283 HydrophobicContact CB-CD1 4.23Å; L275-L283 HydrophobicContact CD2-CD1 4.46Å; L275-M285 HydrophobicContact CD2-CE 3.52Å; L275-M285 HydrophobicContact CD2-SD 3.23Å; L275-M285 WeakPolarHBondContact CD2-SD 3.4Å; L275-L344 HydrophobicContact CD1-CD2 3.29Å; L275-L344 HydrophobicContact CG-CD2 4.38Å
276G92.9Very high92Very high0 Ų032.1 Ų32.10%016%0.159CC..EExtended strand (participates in β ladder)trans-137-175.6175.900000111.4Y208 L283 K284Y208-G276 CarbonylContact O-C 3.58Å; Y208-G276 WeakPolarHBondContact O-CA 3.33Å; G276-L283 CarbonylContact O-C 3.4Å; G276-L283 WeakPolarHBondContact O-CD1 3.45Å; G276-K284 WeakPolarHBondContact CA-O 3.31Å; G276-K284 PolarHBondContact N-O 3.35Å; G276-K284 PolarHBondContact O-N 3.31Å
277Y93.2Very high91.8Very high18 Ų1832.6 Ų32.67%0.07116%0.161CC..EExtended strand (participates in β ladder)trans-154.8159.5174.356.1-85.8000110.9Y208 I246 Y281 D282Y208-Y277 WeakPolarHBondContact CB-O 3.5Å; Y208-Y277 HydrophobicContact CD1-CE2 4.12Å; Y208-Y277 AromaticContact CD2-CD2 3.59Å; Y208-Y277 HydrophobicContact CD2-CD2 3.59Å; Y208-Y277 AromaticContact CD2-CE2 3.28Å; Y208-Y277 HydrophobicContact CD2-CE2 3.28Å; Y208-Y277 HydrophobicContact CD2-CG 4.47Å; Y208-Y277 AromaticContact CD2-CZ 3.96Å; Y208-Y277 HydrophobicContact CE2-CD2 4.37Å; Y208-Y277 AromaticContact CE2-CE2 3.87Å; Y208-Y277 HydrophobicContact CE2-CE2 3.87Å; Y208-Y277 AromaticContact CG-CD2 3.97Å; Y208-Y277 HydrophobicContact CG-CD2 3.97Å; Y208-Y277 HydrophobicContact CG-CE1 4.24Å; Y208-Y277 AromaticContact CG-CE2 3.42Å; Y208-Y277 HydrophobicContact CG-CE2 3.42Å; Y208-Y277 VanDerWaalsContact CG-CE2 3.42Å; Y208-Y277 AromaticContact CG-CZ 3.57Å; Y208-Y277 PolarHBondContact N-O 2.94Å; Y208-Y277 VanDerWaalsContact N-O 3.14Å; Y208-Y277 PolarHBondContact O-N 3.42Å; I246-Y277 HydrophobicContact CD1-CD1 3.76Å; I246-Y277 HydrophobicContact CD1-CD2 4.08Å; I246-Y277 HydrophobicContact CD1-CE1 4.2Å; I246-Y277 HydrophobicContact CD1-CE2 4.48Å; I246-Y277 HydrophobicContact CD1-CG 3.71Å; I246-Y277 HydrophobicContact CG1-CG 4.29Å; Y277-Y281 AromaticContact CD2-CD1 3.7Å; Y277-Y281 HydrophobicContact CD2-CD1 3.7Å; Y277-Y281 HydrophobicContact CD2-CE1 4.11Å; Y277-Y281 AromaticContact CE2-CD1 3.7Å; Y277-Y281 HydrophobicContact CE2-CD1 3.7Å; Y277-Y281 AromaticContact CE2-CE1 3.66Å; Y277-Y281 HydrophobicContact CE2-CE1 3.66Å; Y277-D282 WeakPolarHBondContact CA-O 3.47Å; Y277-D282 VanDerWaalsContact CB-O 3.29Å; Y277-D282 WeakPolarHBondContact CB-O 3.32Å
278N91.8Very high91.8Very high24 Ų2432.4 Ų32.413%0.12816%0.16CC..  trans-91.1179.2175.970.28.5000112.2E207 K280 Y281 D282E207-N278 WeakPolarHBondContact OE2-CA 3.49Å; E207-N278 WeakPolarHBondContact OE2-CB 3.31Å; N278-K280 PolarHBondContact O-N 3.34Å; N278-K280 VanDerWaalsContact O-N 3.11Å; N278-K280 WeakPolarHBondContact OD1-CA 3.41Å; N278-K280 WeakPolarHBondContact OD1-CB 3.31Å; N278-K280 PolarHBondContact OD1-N 2.9Å; N278-Y281 WeakPolarHBondContact O-CA 3.43Å; N278-Y281 PolarHBondContact O-N 3.37Å; N278-Y281 PolarHBondContact OD1-N 3.02Å; N278-D282 PolarHBondContact N-O 3.06Å; N278-D282 VanDerWaalsContact N-O 3.1Å; N278-D282 PolarHBondContact ND2-OD2 2.89Å; N278-D282 PolarHBondContact OD1-N 3.36Å; N278-D282 PolarHBondContact OD1-OD2 3.21Å
279D89.8Confident91.6Very high105 Ų10534.9 Ų34.956%0.56117%0.169SC*.THydrogen-bonded Turntrans-60.9-20.8177.5-71.7-23.2000114.1Y281D279-Y281 VanDerWaalsContact C-N 3.3Å
280K91.4Very high91.6Very high149 Ų14937 Ų3765%0.64818%0.177SC*.THydrogen-bonded Turntrans-87.31.3174.8-60.7-178.6-177.9178.50113K245 N278 D282K245-K280 PolarHBondContact NZ-O 3.2Å; N278-K280 PolarHBondContact O-N 3.34Å; N278-K280 VanDerWaalsContact O-N 3.11Å; N278-K280 WeakPolarHBondContact OD1-CA 3.41Å; N278-K280 WeakPolarHBondContact OD1-CB 3.31Å; N278-K280 PolarHBondContact OD1-N 2.9Å; K280-D282 WeakPolarHBondContact CB-OD2 3.41Å; K280-D282 PolarHBondContact O-N 2.75Å
281Y91.6Very high91.7Very high42 Ų4236.2 Ų36.217%0.16517%0.172CC..  trans61.829-175.4-55.5-82.3000113.8P238 R242 I246 Y277 N278 D279P238-Y281 HydrophobicContact CB-CD1 4.17Å; P238-Y281 HydrophobicContact CB-CE1 3.64Å; P238-Y281 HydrophobicContact CG-CD1 4.26Å; P238-Y281 HydrophobicContact CG-CE1 4.13Å; R242-Y281 HydrophobicContact CB-CD1 3.88Å; R242-Y281 HydrophobicContact CB-CD2 4.14Å; R242-Y281 HydrophobicContact CB-CE1 4.28Å; R242-Y281 HydrophobicContact CB-CG 3.8Å; R242-Y281 VanDerWaalsContact CD-CZ 3.45Å; R242-Y281 HydrophobicContact CG-CD1 4.3Å; R242-Y281 HydrophobicContact CG-CD2 3.71Å; R242-Y281 HydrophobicContact CG-CE1 4.49Å; R242-Y281 HydrophobicContact CG-CE2 3.93Å; R242-Y281 HydrophobicContact CG-CG 3.91Å; R242-Y281 PolarHBondContact NH1-OH 3.45Å; I246-Y281 HydrophobicContact CD1-CD1 4.03Å; I246-Y281 VanDerWaalsContact CG1-O 3.25Å; I246-Y281 WeakPolarHBondContact CG1-O 3.5Å; Y277-Y281 AromaticContact CD2-CD1 3.7Å; Y277-Y281 HydrophobicContact CD2-CD1 3.7Å; Y277-Y281 HydrophobicContact CD2-CE1 4.11Å; Y277-Y281 AromaticContact CE2-CD1 3.7Å; Y277-Y281 HydrophobicContact CE2-CD1 3.7Å; Y277-Y281 AromaticContact CE2-CE1 3.66Å; Y277-Y281 HydrophobicContact CE2-CE1 3.66Å; N278-Y281 WeakPolarHBondContact O-CA 3.43Å; N278-Y281 PolarHBondContact O-N 3.37Å; N278-Y281 PolarHBondContact OD1-N 3.02Å; D279-Y281 VanDerWaalsContact C-N 3.3Å
282D93.2Very high91.9Very high32 Ų3235.1 Ų35.117%0.17116%0.164CC..  trans-80.8130.7166.5-45.4-40.4000107.7K245 Y277 N278 K280K245-D282 WeakPolarHBondContact CE-OD1 3.18Å; K245-D282 IonicContact NZ-OD1 3.84Å; K245-D282 PolarHBondContact NZ-OD1 3.03Å; Y277-D282 WeakPolarHBondContact CA-O 3.47Å; Y277-D282 VanDerWaalsContact CB-O 3.29Å; Y277-D282 WeakPolarHBondContact CB-O 3.32Å; N278-D282 PolarHBondContact N-O 3.06Å; N278-D282 VanDerWaalsContact N-O 3.1Å; N278-D282 PolarHBondContact ND2-OD2 2.89Å; N278-D282 PolarHBondContact OD1-N 3.36Å; N278-D282 PolarHBondContact OD1-OD2 3.21Å; K280-D282 WeakPolarHBondContact CB-OD2 3.41Å; K280-D282 PolarHBondContact O-N 2.75Å
283L95.8Very high92Very high5 Ų534.7 Ų34.73%0.02616%0.161CC..EExtended strand (participates in β ladder)trans-59.9146.2178.2-177.579.7000110H189 I246 G249 L250 L275 G276 M285H189-L283 VanDerWaalsContact CA-O 3.26Å; H189-L283 WeakPolarHBondContact CA-O 3.5Å; H189-L283 HydrophobicContact CB-CD2 4.37Å; I246-L283 HydrophobicContact CG2-CB 4.25Å; I246-L283 HydrophobicContact CG2-CD1 3.56Å; G249-L283 VanDerWaalsContact C-CD2 3.47Å; L250-L283 HydrophobicContact CB-CD2 3.75Å; L250-L283 HydrophobicContact CD1-CD2 4.02Å; L250-L283 VanDerWaalsContact N-CD2 3.34Å; L275-L283 HydrophobicContact CB-CD1 4.23Å; L275-L283 HydrophobicContact CD2-CD1 4.46Å; G276-L283 CarbonylContact O-C 3.4Å; G276-L283 WeakPolarHBondContact O-CD1 3.45Å; L283-M285 HydrophobicContact CD2-SD 4.33Å
284K95.3Very high92.2Very high23 Ų2330.8 Ų30.810%0.115%0.145CC..EExtended strand (participates in β ladder)trans-134.4132.4167.1-67.6-68.6-178168.50111E188 H189 T190 E204 V206 G276 V286E188-K284 WeakPolarHBondContact O-CD 3.13Å; E188-K284 WeakPolarHBondContact O-CE 3.32Å; E188-K284 PolarHBondContact O-NZ 3.18Å; H189-K284 CarbonylContact O-C 3.19Å; H189-K284 WeakPolarHBondContact O-CA 3.22Å; T190-K284 PolarHBondContact O-NZ 3.5Å; E204-K284 IonicContact OE1-NZ 2.79Å; E204-K284 PolarHBondContact OE1-NZ 3.49Å; V206-K284 HydrophobicContact CB-CB 4.46Å; V206-K284 HydrophobicContact CG1-CB 3.83Å; V206-K284 HydrophobicContact CG1-CG 4.28Å; V206-K284 HydrophobicContact CG2-CB 3.71Å; V206-K284 HydrophobicContact CG2-CG 4.17Å; G276-K284 WeakPolarHBondContact CA-O 3.31Å; G276-K284 PolarHBondContact N-O 3.35Å; G276-K284 PolarHBondContact O-N 3.31Å; K284-V286 PolarHBondContact O-N 3.49Å
285M94.6Very high92.1Very high4 Ų432.8 Ų32.82%0.0216%0.157CC..EExtended strand (participates in β ladder)trans-77.6105.1173.6-64-57.4-59.800110.2H189 P191 F253 M267 L275 L283 M288 I291H189-M285 PolarHBondContact O-N 2.98Å; P191-M285 WeakPolarHBondContact CD-O 3.45Å; P191-M285 WeakPolarHBondContact CG-O 3.31Å; F253-M285 HydrophobicContact CD1-CE 4.02Å; F253-M285 HydrophobicContact CD1-CG 4.18Å; F253-M285 HydrophobicContact CD1-SD 3.62Å; F253-M285 HydrophobicContact CD2-CG 3.81Å; F253-M285 HydrophobicContact CD2-SD 4.31Å; F253-M285 HydrophobicContact CE1-CE 3.45Å; F253-M285 VanDerWaalsContact CE1-CE 3.45Å; F253-M285 HydrophobicContact CE1-CG 4.04Å; F253-M285 HydrophobicContact CE1-SD 3.65Å; F253-M285 HydrophobicContact CE2-CG 3.62Å; F253-M285 HydrophobicContact CE2-SD 4.31Å; F253-M285 HydrophobicContact CG-CG 4.05Å; F253-M285 HydrophobicContact CG-SD 3.94Å; F253-M285 HydrophobicContact CZ-CE 3.77Å; F253-M285 HydrophobicContact CZ-CG 3.74Å; F253-M285 HydrophobicContact CZ-SD 3.99Å; M267-M285 HydrophobicContact CE-CE 4.31Å; L275-M285 HydrophobicContact CD2-CE 3.52Å; L275-M285 HydrophobicContact CD2-SD 3.23Å; L275-M285 WeakPolarHBondContact CD2-SD 3.4Å; L283-M285 HydrophobicContact CD2-SD 4.33Å; M285-M288 HydrophobicContact CB-CG 3.68Å; M285-M288 HydrophobicContact CB-SD 3.84Å; M285-M288 HydrophobicContact CE-CG 4.49Å; M285-M288 HydrophobicContact CG-CG 4.44Å; M285-M288 HydrophobicContact CG-SD 4.35Å; M285-I291 HydrophobicContact CE-CD1 4.07Å
286V91.4Very high91.8Very high27 Ų2734.1 Ų34.116%0.16417%0.165CC..SBendtrans-77.5-35.4-174.9178.70000111.8K88 V206 N274 K284K88-V286 PolarHBondContact NZ-O 3.35Å; V206-V286 HydrophobicContact CB-CG2 4.39Å; V206-V286 HydrophobicContact CG1-CG2 4.25Å; V206-V286 HydrophobicContact CG2-CG2 4.41Å; N274-V286 PolarHBondContact O-N 3.36Å; K284-V286 PolarHBondContact O-N 3.49Å
287D89.9Confident91.7Very high21 Ų2134.3 Ų34.311%0.11217%0.165CC..  trans-137.2115.2179.2-172.5-12.6000110.5N274 R289N274-D287 HydrophobicContact CB-CB 4.2Å; N274-D287 PolarHBondContact O-N 2.9Å; D287-R289 VanDerWaalsContact OD1-CB 3.29Å; D287-R289 WeakPolarHBondContact OD1-CB 3.19Å; D287-R289 WeakPolarHBondContact OD1-CG 3.43Å; D287-R289 IonicContact OD1-CZ 3.55Å; D287-R289 PolarHBondContact OD1-N 3.44Å; D287-R289 IonicContact OD1-NE 3.29Å; D287-R289 PolarHBondContact OD1-NE 2.94Å; D287-R289 IonicContact OD1-NH2 2.83Å; D287-R289 IonicContact OD2-CZ 3.46Å; D287-R289 VanDerWaalsContact OD2-CZ 3.27Å; D287-R289 IonicContact OD2-NE 3.09Å; D287-R289 PolarHBondContact OD2-NE 2.86Å; D287-R289 VanDerWaalsContact OD2-NE 3.12Å; D287-R289 IonicContact OD2-NH2 3.07Å; D287-R289 PolarHBondContact OD2-NH2 3.12Å
288M92.9Very high91.5Very high1 Ų135.7 Ų35.71%0.00517%0.172CC..  trans-109.89.2177.9-62.8-174.8-73.800113.2E177 L180 M181 T190 F253 M285 K290 I291E177-M288 HydrophobicContact CB-CB 4.28Å; E177-M288 HydrophobicContact CG-CB 4.14Å; E177-M288 PolarHBondContact OE1-N 3.45Å; L180-M288 HydrophobicContact CB-CE 4.31Å; L180-M288 HydrophobicContact CB-SD 4.1Å; L180-M288 HydrophobicContact CD1-CB 4.05Å; M181-M288 HydrophobicContact CG-CE 3.45Å; M181-M288 VanDerWaalsContact CG-CE 3.45Å; T190-M288 HydrophobicContact CG2-CE 4.04Å; F253-M288 HydrophobicContact CE2-SD 4.36Å; F253-M288 HydrophobicContact CZ-SD 4.42Å; M285-M288 HydrophobicContact CB-CG 3.68Å; M285-M288 HydrophobicContact CB-SD 3.84Å; M285-M288 HydrophobicContact CE-CG 4.49Å; M285-M288 HydrophobicContact CG-CG 4.44Å; M285-M288 HydrophobicContact CG-SD 4.35Å; M288-K290 PolarHBondContact O-N 2.84Å; M288-I291 HydrophobicContact CB-CD1 3.99Å; M288-I291 HydrophobicContact CB-CG1 4.42Å; M288-I291 HydrophobicContact CG-CD1 3.97Å; M288-I291 WeakPolarHBondContact O-CB 3.14Å; M288-I291 PolarHBondContact O-N 2.87Å
289R89Confident91.3Very high51 Ų5140.7 Ų40.719%0.19219%0.194CC..THydrogen-bonded Turntrans-63.3-29.2-172.6-65.1176.8-66.8-170.2-5.2114N73 E177 D287 I291N73-R289 PolarHBondContact ND2-NH1 2.86Å; N73-R289 VanDerWaalsContact ND2-NH1 3.19Å; E177-R289 HydrophobicContact CB-CG 3.92Å; E177-R289 HydrophobicContact CG-CG 4.44Å; E177-R289 WeakPolarHBondContact OE2-CD 3.34Å; E177-R289 WeakPolarHBondContact OE2-CG 3.36Å; D287-R289 VanDerWaalsContact OD1-CB 3.29Å; D287-R289 WeakPolarHBondContact OD1-CB 3.19Å; D287-R289 WeakPolarHBondContact OD1-CG 3.43Å; D287-R289 IonicContact OD1-CZ 3.55Å; D287-R289 PolarHBondContact OD1-N 3.44Å; D287-R289 IonicContact OD1-NE 3.29Å; D287-R289 PolarHBondContact OD1-NE 2.94Å; D287-R289 IonicContact OD1-NH2 2.83Å; D287-R289 IonicContact OD2-CZ 3.46Å; D287-R289 VanDerWaalsContact OD2-CZ 3.27Å; D287-R289 IonicContact OD2-NE 3.09Å; D287-R289 PolarHBondContact OD2-NE 2.86Å; D287-R289 VanDerWaalsContact OD2-NE 3.12Å; D287-R289 IonicContact OD2-NH2 3.07Å; D287-R289 PolarHBondContact OD2-NH2 3.12Å; R289-I291 VanDerWaalsContact C-N 3.33Å
290K91.3Very high91.1Very high72 Ų7241 Ų4131%0.31320%0.196SC..THydrogen-bonded Turntrans-96.414.6179.4-66.2-59.1-172.1-179.30113.1C268 D269 M288C268-K290 WeakPolarHBondContact CA-O 3.4Å; C268-K290 VanDerWaalsContact CB-O 3.31Å; C268-K290 WeakPolarHBondContact CB-O 3.24Å; C268-K290 PolarHBondContact N-O 2.76Å; D269-K290 HydrophobicContact CB-CB 3.57Å; D269-K290 HydrophobicContact CB-CG 3.91Å; M288-K290 PolarHBondContact O-N 2.84Å
291I93.5Very high91Very high7 Ų734.1 Ų34.14%0.03617%0.166CC..EExtended strand (participates in β ladder)trans-92.8118.7166.7-54.3-177000106.9N176 L180 F253 F265 L266 M267 M285 M288 R289N176-I291 WeakPolarHBondContact CB-O 3.23Å; N176-I291 PolarHBondContact ND2-O 2.99Å; L180-I291 HydrophobicContact CD1-CB 3.49Å; L180-I291 VanDerWaalsContact CD1-CB 3.49Å; L180-I291 HydrophobicContact CD1-CD1 4.45Å; L180-I291 HydrophobicContact CD1-CG1 4.49Å; L180-I291 HydrophobicContact CD1-CG2 3.52Å; L180-I291 HydrophobicContact CD2-CG2 4.43Å; F253-I291 HydrophobicContact CE1-CD1 3.73Å; F253-I291 HydrophobicContact CZ-CD1 3.43Å; F253-I291 VanDerWaalsContact CZ-CD1 3.43Å; F265-I291 HydrophobicContact CB-CG2 3.83Å; L266-I291 VanDerWaalsContact O-CA 3.32Å; L266-I291 WeakPolarHBondContact O-CA 3.28Å; M267-I291 HydrophobicContact CG-CD1 4.23Å; M267-I291 HydrophobicContact CG-CG1 4.24Å; M285-I291 HydrophobicContact CE-CD1 4.07Å; M288-I291 HydrophobicContact CB-CD1 3.99Å; M288-I291 HydrophobicContact CB-CG1 4.42Å; M288-I291 HydrophobicContact CG-CD1 3.97Å; M288-I291 WeakPolarHBondContact O-CB 3.14Å; M288-I291 PolarHBondContact O-N 2.87Å; R289-I291 VanDerWaalsContact C-N 3.33Å
292V92.1Very high90.7Very high2 Ų237.2 Ų37.21%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-127.2142.8-168.3-59.30000110.5F265 L266 L297 Y314F265-V292 CarbonylContact C-O 3.59Å; F265-V292 WeakPolarHBondContact CA-O 3.22Å; L266-V292 HydrophobicContact CB-CG2 4.31Å; L266-V292 PolarHBondContact N-O 2.89Å; L266-V292 PolarHBondContact O-N 2.98Å; V292-L297 HydrophobicContact CG2-CB 4.06Å; V292-L297 HydrophobicContact CG2-CD1 4.22Å; V292-L297 HydrophobicContact CG2-CD2 4.37Å; V292-L297 HydrophobicContact CG2-CG 4.45Å; V292-Y314 HydrophobicContact CG1-CE1 3.76Å; V292-Y314 HydrophobicContact CG2-CE1 4.35Å
293P91.9Very high90.1Very high2 Ų240.6 Ų40.61%0.01320%0.198CC..EExtended strand (participates in β ladder)trans-58.4140.9171.1-22.532.8000111.2K135 L136 F265 T295 N296 L297K135-P293 WeakPolarHBondContact O-CB 3.28Å; K135-P293 WeakPolarHBondContact O-CG 3.28Å; L136-P293 HydrophobicContact CD2-CB 3.86Å; L136-P293 HydrophobicContact CD2-CG 3.59Å; F265-P293 HydrophobicContact CD1-CB 4.46Å; F265-P293 HydrophobicContact CD1-CG 4.06Å; F265-P293 HydrophobicContact CE1-CB 4.42Å; F265-P293 HydrophobicContact CE1-CG 3.78Å; P293-T295 VanDerWaalsContact C-N 3.34Å; P293-T295 PolarHBondContact O-N 3.45Å; P293-N296 HydrophobicContact CB-CB 4.2Å; P293-N296 HydrophobicContact CG-CB 4.46Å; P293-N296 PolarHBondContact O-N 2.73Å; P293-L297 PolarHBondContact O-N 3.09Å; P293-L297 VanDerWaalsContact O-N 3.1Å
294E90.8Very high89.8Confident46 Ų4646.1 Ų46.122%0.21522%0.219CC..Hα-helixtrans-57.4-46.8179.9-177.8-179.6169.200111.5N264 L266 N296 L297 K298N264-E294 HydrophobicContact CB-CB 4.15Å; N264-E294 WeakPolarHBondContact CB-OE2 3.41Å; N264-E294 PolarHBondContact ND2-OE2 3.38Å; N264-E294 WeakPolarHBondContact O-CB 3.23Å; N264-E294 PolarHBondContact O-N 3.02Å; L266-E294 HydrophobicContact CD1-CB 4.16Å; L266-E294 HydrophobicContact CD1-CG 4.08Å; L266-E294 HydrophobicContact CG-CB 4.27Å; E294-N296 VanDerWaalsContact C-N 3.34Å; E294-N296 PolarHBondContact O-N 2.84Å; E294-L297 PolarHBondContact O-N 2.98Å; E294-L297 VanDerWaalsContact O-N 3.12Å; E294-K298 HydrophobicContact CG-CD 4.45Å; E294-K298 WeakPolarHBondContact O-CG 3.24Å; E294-K298 PolarHBondContact O-N 3.08Å; E294-K298 WeakPolarHBondContact OE1-CE 3.42Å; E294-K298 IonicContact OE1-NZ 3.95Å; E294-K298 PolarHBondContact OE1-NZ 2.85Å
295T88.3Confident89.7Confident54 Ų5450.9 Ų50.933%0.33124%0.241SC..Hα-helixtrans-57.3-44.5178.8-48.60000112.4P293 L297 K298 E299P293-T295 VanDerWaalsContact C-N 3.34Å; P293-T295 PolarHBondContact O-N 3.45Å; T295-L297 VanDerWaalsContact C-N 3.35Å; T295-L297 PolarHBondContact O-N 3.33Å; T295-K298 PolarHBondContact O-N 3.12Å; T295-E299 PolarHBondContact O-N 2.91Å
296N88.2Confident89.7Confident32 Ų3250.8 Ų50.817%0.17124%0.241CC..Hα-helixtrans-62.9-41.4176.6-82.9-11000112.6A134 K135 P293 E294 K298 E299 L300A134-N296 PolarHBondContact O-OD1 2.89Å; K135-N296 WeakPolarHBondContact CA-ND2 3.41Å; K135-N296 WeakPolarHBondContact CA-OD1 3.21Å; K135-N296 WeakPolarHBondContact CB-ND2 3.45Å; K135-N296 WeakPolarHBondContact CG-ND2 3.45Å; K135-N296 PolarHBondContact O-ND2 3.26Å; K135-N296 PolarHBondContact O-OD1 2.9Å; K135-N296 VanDerWaalsContact O-OD1 3.13Å; P293-N296 HydrophobicContact CB-CB 4.2Å; P293-N296 HydrophobicContact CG-CB 4.46Å; P293-N296 PolarHBondContact O-N 2.73Å; E294-N296 VanDerWaalsContact C-N 3.34Å; E294-N296 PolarHBondContact O-N 2.84Å; N296-K298 VanDerWaalsContact C-N 3.32Å; N296-E299 PolarHBondContact O-N 3.33Å; N296-L300 WeakPolarHBondContact O-CB 3.46Å; N296-L300 WeakPolarHBondContact O-CG 3.35Å; N296-L300 PolarHBondContact O-N 3.32Å
297L89.3Confident89.7Confident3 Ų356.7 Ų56.72%0.01627%0.266CS..Hα-helixtrans-64.4-41.2179.2-173.365.7000111.2L266 V292 P293 E294 T295 E299 L300 I301 Y314 C318 V333L266-L297 HydrophobicContact CD1-CB 4.41Å; L266-L297 HydrophobicContact CD1-CD2 3.41Å; L266-L297 VanDerWaalsContact CD1-CD2 3.41Å; V292-L297 HydrophobicContact CG2-CB 4.06Å; V292-L297 HydrophobicContact CG2-CD1 4.22Å; V292-L297 HydrophobicContact CG2-CD2 4.37Å; V292-L297 HydrophobicContact CG2-CG 4.45Å; P293-L297 PolarHBondContact O-N 3.09Å; P293-L297 VanDerWaalsContact O-N 3.1Å; E294-L297 PolarHBondContact O-N 2.98Å; E294-L297 VanDerWaalsContact O-N 3.12Å; T295-L297 VanDerWaalsContact C-N 3.35Å; T295-L297 PolarHBondContact O-N 3.33Å; L297-E299 VanDerWaalsContact C-N 3.33Å; L297-E299 PolarHBondContact O-N 3.4Å; L297-L300 PolarHBondContact O-N 3.38Å; L297-I301 HydrophobicContact CD1-CD1 3.57Å; L297-I301 HydrophobicContact CD1-CG1 3.98Å; L297-I301 HydrophobicContact CD2-CD1 4.29Å; L297-I301 HydrophobicContact CG-CD1 3.76Å; L297-I301 HydrophobicContact CG-CG1 4.32Å; L297-I301 PolarHBondContact O-N 3.23Å; L297-Y314 HydrophobicContact CD1-CD1 3.6Å; L297-Y314 HydrophobicContact CD1-CD2 3.99Å; L297-Y314 HydrophobicContact CD1-CE1 4.23Å; L297-Y314 HydrophobicContact CD1-CG 3.47Å; L297-Y314 VanDerWaalsContact CD1-CG 3.47Å; L297-C318 HydrophobicContact CD2-CB 4.2Å; L297-V333 HydrophobicContact CD2-CG2 3.66Å
298K89.8Confident89.9Confident48 Ų4857.8 Ų57.821%0.20928%0.276CS..Hα-helixtrans-56.6-48.2177.1-69.7-171178.4-173.50111E294 T295 N296 L300 I301 K302 S331 E332E294-K298 HydrophobicContact CG-CD 4.45Å; E294-K298 WeakPolarHBondContact O-CG 3.24Å; E294-K298 PolarHBondContact O-N 3.08Å; E294-K298 WeakPolarHBondContact OE1-CE 3.42Å; E294-K298 IonicContact OE1-NZ 3.95Å; E294-K298 PolarHBondContact OE1-NZ 2.85Å; T295-K298 PolarHBondContact O-N 3.12Å; N296-K298 VanDerWaalsContact C-N 3.32Å; K298-L300 PolarHBondContact O-N 3.42Å; K298-I301 PolarHBondContact O-N 3.49Å; K298-K302 WeakPolarHBondContact O-CB 3.37Å; K298-K302 PolarHBondContact O-N 3.03Å; K298-S331 WeakPolarHBondContact CG-O 3.31Å; K298-E332 WeakPolarHBondContact CE-OE1 3.47Å; K298-E332 IonicContact NZ-OE1 2.86Å; K298-E332 PolarHBondContact NZ-OE1 3.29Å; K298-E332 IonicContact NZ-OE2 3.07Å; K298-E332 PolarHBondContact NZ-OE2 3.43Å
299E87.8Confident89.8Confident129 Ų12961.9 Ų61.960%0.60330%0.298SS*.Hα-helixtrans-66-35.8177.6-67.1-60.2132.900112.8T295 N296 L297T295-E299 PolarHBondContact O-N 2.91Å; N296-E299 PolarHBondContact O-N 3.33Å; L297-E299 VanDerWaalsContact C-N 3.33Å; L297-E299 PolarHBondContact O-N 3.4Å
300L85.7Confident89.8Confident112 Ų11265.8 Ų65.859%0.58632%0.321SS*.Hα-helixtrans-72.7-29.5179.7-73.1170.5000113.9N296 L297 K298 Y314N296-L300 WeakPolarHBondContact O-CB 3.46Å; N296-L300 WeakPolarHBondContact O-CG 3.35Å; N296-L300 PolarHBondContact O-N 3.32Å; L297-L300 PolarHBondContact O-N 3.38Å; K298-L300 PolarHBondContact O-N 3.42Å; L300-Y314 HydrophobicContact CD1-CE2 4.23Å
301I88.8Confident89.7Confident4 Ų465.2 Ų65.22%0.02132%0.322CS..Hα-helixtrans-97.5-36.5-174-68.7-176.6000112.8L297 K298 D303 R304 T320 C329 T330L297-I301 HydrophobicContact CD1-CD1 3.57Å; L297-I301 HydrophobicContact CD1-CG1 3.98Å; L297-I301 HydrophobicContact CD2-CD1 4.29Å; L297-I301 HydrophobicContact CG-CD1 3.76Å; L297-I301 HydrophobicContact CG-CG1 4.32Å; L297-I301 PolarHBondContact O-N 3.23Å; K298-I301 PolarHBondContact O-N 3.49Å; I301-D303 PolarHBondContact O-N 2.87Å; I301-R304 VanDerWaalsContact O-CB 3.28Å; I301-R304 WeakPolarHBondContact O-CB 3.39Å; I301-R304 PolarHBondContact O-N 2.91Å; I301-T320 HydrophobicContact CD1-CG2 3.97Å; I301-T320 HydrophobicContact CG2-CG2 4.04Å; I301-T320 WeakPolarHBondContact CG2-OG1 3.42Å; I301-C329 HydrophobicContact CG2-CB 3.46Å; I301-C329 VanDerWaalsContact CG2-CB 3.46Å; I301-T330 WeakPolarHBondContact CG2-O 3.26Å
302K84.8Confident89.6Confident107 Ų10764.9 Ų64.947%0.46532%0.32SS..THydrogen-bonded Turntrans-52.9-31-167.4176.2-176.9172.8-169.20115.5K298K298-K302 WeakPolarHBondContact O-CB 3.37Å; K298-K302 PolarHBondContact O-N 3.03Å
303D81.8Confident89.6Confident102 Ų10266.5 Ų66.555%0.54533%0.33SS..THydrogen-bonded Turntrans-105.38.1-178-74.6-55.2000114.1I301 H305 K328I301-D303 PolarHBondContact O-N 2.87Å; D303-H305 PolarHBondContact O-N 3.38Å; D303-K328 IonicContact OD1-NZ 2.79Å; D303-K328 PolarHBondContact OD1-NZ 2.98Å
304R89.1Confident89.5Confident122 Ų12269.1 Ų69.146%0.4634%0.34SS..  trans-74.3126176.7-170.7173.2178.7-177.7-6.3110.2I301 D311 V313 K328 C329I301-R304 VanDerWaalsContact O-CB 3.28Å; I301-R304 WeakPolarHBondContact O-CB 3.39Å; I301-R304 PolarHBondContact O-N 2.91Å; R304-D311 PolarHBondContact NH2-O 3.21Å; R304-V313 PolarHBondContact NH1-O 2.96Å; R304-K328 WeakPolarHBondContact O-CA 3.01Å; R304-C329 PolarHBondContact O-N 3.28Å
305H92.4Very high89.3Confident123 Ų12368.8 Ų68.857%0.56935%0.349SS*.BIsolated β-bridgetrans-65.5139.5172.6-17460.7000110.9D303 M327D303-H305 PolarHBondContact O-N 3.38Å; H305-M327 WeakPolarHBondContact CA-O 3.49Å; H305-M327 PolarHBondContact ND1-O 2.89Å
306C94.3Very high89.2Confident2 Ų269.9 Ų69.91%0.01436%0.356CS..  trans-143.7148.7178.358.90000111D311 C312 C322 M327 K328 C329C306-D311 HydrophobicContact CB-CB 3.91Å; C306-C312 WeakPolarHBondContact CB-SG 3.39Å; C306-C322 HydrophobicContact CB-CB 3.84Å; C306-C322 WeakPolarHBondContact CB-SG 3.33Å; C306-C322 PolarHBondContact O-SG 3.45Å; C306-C322 VanDerWaalsContact O-SG 3.33Å; C306-C322 WeakPolarHBondContact SG-CA 3.2Å; C306-C322 WeakPolarHBondContact SG-CB 3.39Å; C306-C322 CovalentContact SG-SG 2.03Å; C306-C322 PolarHBondContact SG-SG 3.14Å; C306-M327 PolarHBondContact N-O 3.15Å; C306-M327 VanDerWaalsContact N-O 3.08Å; C306-M327 WeakPolarHBondContact O-CE 3.49Å; C306-K328 PolarHBondContact SG-O 3.38Å; C306-C329 PolarHBondContact SG-N 2.94Å; C306-C329 VanDerWaalsContact SG-N 3.45Å
307E92.8Very high89.3Confident150 Ų15069.5 Ų69.570%0.70135%0.354SS*.SBendtrans-103.1-29.6168-62.9-177.3176.800110.6D311 M327E307-D311 PolarHBondContact N-OD2 3.07Å; E307-M327 HydrophobicContact CB-CE 4.37Å; E307-M327 HydrophobicContact CG-CE 4.07Å
308S92.9Very high89.4Confident45 Ų4569.4 Ų69.432%0.31535%0.353SS..SBendtrans-140.5162.7-179.774.20000112.4L310 D311S308-L310 PolarHBondContact O-N 3.3Å; S308-L310 PolarHBondContact OG-N 3.49Å; S308-D311 PolarHBondContact N-OD2 3.38Å; S308-D311 WeakPolarHBondContact O-CB 3.41Å; S308-D311 PolarHBondContact O-N 2.9Å; S308-D311 PolarHBondContact OG-OD2 2.84Å
309D90.6Very high89.5Confident86 Ų8672.8 Ų72.846%0.4637%0.365SS..THydrogen-bonded Turntrans-57.1-22174-69.3-9.7000113.1D311 C312 C322D309-D311 VanDerWaalsContact C-N 3.26Å; D309-D311 PolarHBondContact O-N 3.16Å; D309-C312 PolarHBondContact O-N 3.41Å; D309-C322 PolarHBondContact OD1-N 2.91Å
310L90Very high89.7Confident133 Ų13366.7 Ų66.770%0.69634%0.336SS*.THydrogen-bonded Turntrans-73-19.3178.9-61.5176.1000112.9S308 C312 V313S308-L310 PolarHBondContact O-N 3.3Å; S308-L310 PolarHBondContact OG-N 3.49Å; L310-C312 VanDerWaalsContact C-N 3.35Å; L310-V313 WeakPolarHBondContact O-CG2 3.27Å
311D89.8Confident90Very high60 Ų6063.3 Ų63.332%0.32132%0.322SS..THydrogen-bonded Turntrans-81.4-22.4178-53.6-42.1000111.6R304 C306 E307 S308 D309 V313R304-D311 PolarHBondContact NH2-O 3.21Å; C306-D311 HydrophobicContact CB-CB 3.91Å; E307-D311 PolarHBondContact N-OD2 3.07Å; S308-D311 PolarHBondContact N-OD2 3.38Å; S308-D311 WeakPolarHBondContact O-CB 3.41Å; S308-D311 PolarHBondContact O-N 2.9Å; S308-D311 PolarHBondContact OG-OD2 2.84Å; D309-D311 VanDerWaalsContact C-N 3.26Å; D309-D311 PolarHBondContact O-N 3.16Å; D311-V313 PolarHBondContact O-N 3.3Å
312C91.6Very high90.2Very high1 Ų163.7 Ų63.71%0.00733%0.325CS..  trans-87.255-177.2-62.70000112.5C306 D309 L310 R319 T320 C329C306-C312 WeakPolarHBondContact CB-SG 3.39Å; D309-C312 PolarHBondContact O-N 3.41Å; L310-C312 VanDerWaalsContact C-N 3.35Å; C312-R319 WeakPolarHBondContact O-CA 3.06Å; C312-T320 WeakPolarHBondContact CB-O 3.3Å; C312-T320 WeakPolarHBondContact CB-OG1 3.02Å; C312-T320 PolarHBondContact O-N 2.69Å; C312-C329 WeakPolarHBondContact CA-SG 3.45Å; C312-C329 HydrophobicContact CB-CB 3.81Å; C312-C329 WeakPolarHBondContact CB-SG 3.5Å; C312-C329 WeakPolarHBondContact SG-CA 3.35Å; C312-C329 WeakPolarHBondContact SG-CB 2.95Å; C312-C329 CovalentContact SG-SG 2.04Å; C312-C329 PolarHBondContact SG-SG 3.41Å
313V91.5Very high90.6Very high36 Ų3661.3 Ų61.322%0.21832%0.317CS..EExtended strand (participates in β ladder)trans-121.9131.9179.6-173.40000111.1R304 L310 D311 C318 R319R304-V313 PolarHBondContact NH1-O 2.96Å; L310-V313 WeakPolarHBondContact O-CG2 3.27Å; D311-V313 PolarHBondContact O-N 3.3Å; V313-C318 WeakPolarHBondContact CA-O 3.47Å; V313-R319 HydrophobicContact CG1-CG 4.45Å; V313-R319 HydrophobicContact CG2-CG 4.03Å
314Y89.6Confident91.1Very high57 Ų5764 Ų6422%0.22433%0.327CS..EExtended strand (participates in β ladder)trans-113.3133.8168.8-178.3-87.9000110.4C268 V292 L297 L300 T316 C318C268-Y314 HydrophobicContact CB-CD1 3.74Å; C268-Y314 HydrophobicContact CB-CE1 4.15Å; V292-Y314 HydrophobicContact CG1-CE1 3.76Å; V292-Y314 HydrophobicContact CG2-CE1 4.35Å; L297-Y314 HydrophobicContact CD1-CD1 3.6Å; L297-Y314 HydrophobicContact CD1-CD2 3.99Å; L297-Y314 HydrophobicContact CD1-CE1 4.23Å; L297-Y314 HydrophobicContact CD1-CG 3.47Å; L297-Y314 VanDerWaalsContact CD1-CG 3.47Å; L300-Y314 HydrophobicContact CD1-CE2 4.23Å; Y314-T316 PolarHBondContact O-N 3.31Å; Y314-C318 PolarHBondContact N-O 3.45Å; Y314-C318 WeakPolarHBondContact O-CB 3.11Å; Y314-C318 PolarHBondContact O-N 3.36Å
315G86.2Confident91.3Very high39 Ų3963 Ų6340%0.40234%0.338SS..THydrogen-bonded Turntrans68.2-123.5-173.800000110.6C268C268-G315 WeakPolarHBondContact O-CA 3.44Å
316T86.9Confident91.3Very high77 Ų7760.8 Ų60.847%0.47233%0.334SS..THydrogen-bonded Turntrans-115.4-27.7178.255.70000113.9C268 D269 Y314C268-T316 PolarHBondContact O-N 2.86Å; D269-T316 WeakPolarHBondContact CA-OG1 3.23Å; Y314-T316 PolarHBondContact O-N 3.31Å
317D89.3Confident91.3Very high24 Ų2464 Ų6413%0.12835%0.349CS..THydrogen-bonded Turntrans-140.8-3.4-165.360.9-11000114.8C268 D269 T270 R319 K340C268-D317 WeakPolarHBondContact CA-OD1 3.48Å; C268-D317 VanDerWaalsContact O-OD1 3.07Å; D269-D317 PolarHBondContact N-OD1 2.74Å; T270-D317 WeakPolarHBondContact CA-OD2 3.48Å; T270-D317 WeakPolarHBondContact CB-OD2 3.21Å; T270-D317 PolarHBondContact N-OD2 3.1Å; T270-D317 PolarHBondContact OG1-OD2 3.47Å; D317-R319 PolarHBondContact O-N 2.91Å; D317-K340 HydrophobicContact CB-CD 4.26Å
318C91.8Very high91.3Very high0 Ų060.9 Ų60.90%033%0.333CS..EExtended strand (participates in β ladder)trans-82.4105.7168.8-77.20000109.9C268 L297 V313 Y314C268-C318 WeakPolarHBondContact CA-SG 2.96Å; C268-C318 HydrophobicContact CB-CB 3.67Å; C268-C318 WeakPolarHBondContact CB-SG 3.14Å; C268-C318 WeakPolarHBondContact SG-CB 3.26Å; C268-C318 CovalentContact SG-SG 2.03Å; C268-C318 PolarHBondContact SG-SG 3.4Å; L297-C318 HydrophobicContact CD2-CB 4.2Å; V313-C318 WeakPolarHBondContact CA-O 3.47Å; Y314-C318 PolarHBondContact N-O 3.45Å; Y314-C318 WeakPolarHBondContact O-CB 3.11Å; Y314-C318 PolarHBondContact O-N 3.36Å
319R91.6Very high91.4Very high120 Ų12058.9 Ų58.945%0.45332%0.319SS..EExtended strand (participates in β ladder)trans-114.8137.2-176.5-50.6-171.8178-177.2-2.3111.3C312 V313 D317 I334C312-R319 WeakPolarHBondContact O-CA 3.06Å; V313-R319 HydrophobicContact CG1-CG 4.45Å; V313-R319 HydrophobicContact CG2-CG 4.03Å; D317-R319 PolarHBondContact O-N 2.91Å; R319-I334 HydrophobicContact CB-CD1 4.5Å; R319-I334 PolarHBondContact O-N 3.19Å
320T92Very high91.4Very high0 Ų057.2 Ų57.20%031%0.312CS..  trans-118.1-179.916773.50000109.6I301 C312 T330 E332 V333I301-T320 HydrophobicContact CD1-CG2 3.97Å; I301-T320 HydrophobicContact CG2-CG2 4.04Å; I301-T320 WeakPolarHBondContact CG2-OG1 3.42Å; C312-T320 WeakPolarHBondContact CB-O 3.3Å; C312-T320 WeakPolarHBondContact CB-OG1 3.02Å; C312-T320 PolarHBondContact O-N 2.69Å; T320-T330 WeakPolarHBondContact CB-O 3.09Å; T320-T330 WeakPolarHBondContact CG2-O 3.38Å; T320-T330 PolarHBondContact OG1-O 2.03Å; T320-E332 WeakPolarHBondContact CB-O 3.41Å; T320-E332 WeakPolarHBondContact CG2-O 3.39Å; T320-V333 HydrophobicContact CG2-CG2 4.15Å
321S92Very high91.3Very high42 Ų4252.7 Ų52.729%0.29429%0.292SS..  trans-100.2151179.5-66.30000110.4C329 T330S321-C329 CarbonylContact O-C 3.44Å; S321-C329 WeakPolarHBondContact O-CA 3.01Å; S321-T330 PolarHBondContact N-OG1 3.26Å; S321-T330 VanDerWaalsContact N-OG1 3.14Å; S321-T330 WeakPolarHBondContact O-CG2 3.35Å; S321-T330 PolarHBondContact O-N 2.76Å; S321-T330 PolarHBondContact O-OG1 3.39Å; S321-T330 VanDerWaalsContact O-OG1 3.13Å
322C93.9Very high91.1Very high11 Ų1154.2 Ų54.27%0.07430%0.297CS..EExtended strand (participates in β ladder)trans-87.3120.3171.5-172.50000109.8C306 D309 Q324C306-C322 HydrophobicContact CB-CB 3.84Å; C306-C322 WeakPolarHBondContact CB-SG 3.33Å; C306-C322 PolarHBondContact O-SG 3.45Å; C306-C322 VanDerWaalsContact O-SG 3.33Å; C306-C322 WeakPolarHBondContact SG-CA 3.2Å; C306-C322 WeakPolarHBondContact SG-CB 3.39Å; C306-C322 CovalentContact SG-SG 2.03Å; C306-C322 PolarHBondContact SG-SG 3.14Å; D309-C322 PolarHBondContact OD1-N 2.91Å; C322-Q324 PolarHBondContact O-N 2.94Å
323D93.7Very high91Very high58 Ų5854.7 Ų54.731%0.3130%0.3SS..EExtended strand (participates in β ladder)trans-77.6103.5169.6175.88.2000109S325 T326 M327 K328 T330D323-S325 VanDerWaalsContact CG-OG 3.25Å; D323-S325 PolarHBondContact O-N 3.33Å; D323-S325 VanDerWaalsContact O-N 3.14Å; D323-S325 WeakPolarHBondContact OD1-CB 3.02Å; D323-S325 PolarHBondContact OD1-N 3.32Å; D323-S325 PolarHBondContact OD1-OG 3.46Å; D323-S325 PolarHBondContact OD2-OG 3.47Å; D323-T326 WeakPolarHBondContact CB-OG1 3.36Å; D323-T326 VanDerWaalsContact CG-OG1 3.23Å; D323-T326 PolarHBondContact O-N 3.43Å; D323-T326 WeakPolarHBondContact OD2-CG2 3.25Å; D323-T326 PolarHBondContact OD2-OG1 3.38Å; D323-M327 VanDerWaalsContact O-CA 3.32Å; D323-M327 WeakPolarHBondContact O-CA 3.27Å; D323-M327 PolarHBondContact O-N 2.94Å; D323-K328 WeakPolarHBondContact CB-O 3.4Å; D323-K328 PolarHBondContact N-O 3.45Å; D323-K328 PolarHBondContact O-N 2.01Å; D323-T330 HydrophobicContact CB-CG2 4.26Å
324Q92.1Very high90.8Very high159 Ų15955.8 Ų55.874%0.74330%0.304SS*.THydrogen-bonded Turntrans-62.9-19.1-178.6-64.9-175-12.900113.4C322C322-Q324 PolarHBondContact O-N 2.94Å
325S93.3Very high90.8Very high101 Ų10155.6 Ų55.671%0.70631%0.305SS*.THydrogen-bonded Turntrans-77.3-35.7178.172.40000112.3D323D323-S325 VanDerWaalsContact CG-OG 3.25Å; D323-S325 PolarHBondContact O-N 3.33Å; D323-S325 VanDerWaalsContact O-N 3.14Å; D323-S325 WeakPolarHBondContact OD1-CB 3.02Å; D323-S325 PolarHBondContact OD1-N 3.32Å; D323-S325 PolarHBondContact OD1-OG 3.46Å; D323-S325 PolarHBondContact OD2-OG 3.47Å
326T92.4Very high91Very high76 Ų7654.1 Ų54.147%0.46629%0.288SS..THydrogen-bonded Turntrans-103.4-9.6-179.2570000112.8D323 K328D323-T326 WeakPolarHBondContact CB-OG1 3.36Å; D323-T326 VanDerWaalsContact CG-OG1 3.23Å; D323-T326 PolarHBondContact O-N 3.43Å; D323-T326 WeakPolarHBondContact OD2-CG2 3.25Å; D323-T326 PolarHBondContact OD2-OG1 3.38Å; T326-K328 PolarHBondContact O-N 3.39Å
327M93.1Very high91.3Very high70 Ų7050.4 Ų50.435%0.34527%0.266SS..THydrogen-bonded Turntrans51.539.5-170.6-61-70.7-72.400111.6H305 C306 E307 D323H305-M327 WeakPolarHBondContact CA-O 3.49Å; H305-M327 PolarHBondContact ND1-O 2.89Å; C306-M327 PolarHBondContact N-O 3.15Å; C306-M327 VanDerWaalsContact N-O 3.08Å; C306-M327 WeakPolarHBondContact O-CE 3.49Å; E307-M327 HydrophobicContact CB-CE 4.37Å; E307-M327 HydrophobicContact CG-CE 4.07Å; D323-M327 VanDerWaalsContact O-CA 3.32Å; D323-M327 WeakPolarHBondContact O-CA 3.27Å; D323-M327 PolarHBondContact O-N 2.94Å
328K93.9Very high91.5Very high83 Ų8349.3 Ų49.336%0.36126%0.26SS..EExtended strand (participates in β ladder)trans-131.1148.3-178-73.9-176.3171.7-164.80111.4D303 R304 C306 D323 T326D303-K328 IonicContact OD1-NZ 2.79Å; D303-K328 PolarHBondContact OD1-NZ 2.98Å; R304-K328 WeakPolarHBondContact O-CA 3.01Å; C306-K328 PolarHBondContact SG-O 3.38Å; D323-K328 WeakPolarHBondContact CB-O 3.4Å; D323-K328 PolarHBondContact N-O 3.45Å; D323-K328 PolarHBondContact O-N 2.01Å; T326-K328 PolarHBondContact O-N 3.39Å
329C93.3Very high91.5Very high4 Ų449.3 Ų49.33%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-69.9139.8176.2-63.30000111.6I301 R304 C306 C312 S321I301-C329 HydrophobicContact CG2-CB 3.46Å; I301-C329 VanDerWaalsContact CG2-CB 3.46Å; R304-C329 PolarHBondContact O-N 3.28Å; C306-C329 PolarHBondContact SG-N 2.94Å; C306-C329 VanDerWaalsContact SG-N 3.45Å; C312-C329 WeakPolarHBondContact CA-SG 3.45Å; C312-C329 HydrophobicContact CB-CB 3.81Å; C312-C329 WeakPolarHBondContact CB-SG 3.5Å; C312-C329 WeakPolarHBondContact SG-CA 3.35Å; C312-C329 WeakPolarHBondContact SG-CB 2.95Å; C312-C329 CovalentContact SG-SG 2.04Å; C312-C329 PolarHBondContact SG-SG 3.41Å; S321-C329 CarbonylContact O-C 3.44Å; S321-C329 WeakPolarHBondContact O-CA 3.01Å
330T91.6Very high91.7Very high50 Ų5044.1 Ų44.131%0.30724%0.24SC..  trans-72.4158.7171.164.80000110.7I301 T320 S321 D323I301-T330 WeakPolarHBondContact CG2-O 3.26Å; T320-T330 WeakPolarHBondContact CB-O 3.09Å; T320-T330 WeakPolarHBondContact CG2-O 3.38Å; T320-T330 PolarHBondContact OG1-O 2.03Å; S321-T330 PolarHBondContact N-OG1 3.26Å; S321-T330 VanDerWaalsContact N-OG1 3.14Å; S321-T330 WeakPolarHBondContact O-CG2 3.35Å; S321-T330 PolarHBondContact O-N 2.76Å; S321-T330 PolarHBondContact O-OG1 3.39Å; S321-T330 VanDerWaalsContact O-OG1 3.13Å; D323-T330 HydrophobicContact CB-CG2 4.26Å
331S87.9Confident91.8Very high38 Ų3844.1 Ų44.127%0.26624%0.24SC..SBendtrans-84.3-19.4179.555.50000113.9K298K298-S331 WeakPolarHBondContact CG-O 3.31Å
332E86.3Confident92Very high92 Ų9242.1 Ų42.143%0.4323%0.226SC..SBendtrans-85.6125.6-174.7-62.1-54.6134.300111.2K298 T320K298-E332 WeakPolarHBondContact CE-OE1 3.47Å; K298-E332 IonicContact NZ-OE1 2.86Å; K298-E332 PolarHBondContact NZ-OE1 3.29Å; K298-E332 IonicContact NZ-OE2 3.07Å; K298-E332 PolarHBondContact NZ-OE2 3.43Å; T320-E332 WeakPolarHBondContact CB-O 3.41Å; T320-E332 WeakPolarHBondContact CG2-O 3.39Å
333V88.8Confident92Very high12 Ų1246.7 Ų46.77%0.07325%0.247CC..  trans-78.1134.1178.5178.80000109.7L266 L297 T320 Q335 V373L266-V333 HydrophobicContact CD1-CG2 3.78Å; L297-V333 HydrophobicContact CD2-CG2 3.66Å; T320-V333 HydrophobicContact CG2-CG2 4.15Å; V333-Q335 WeakPolarHBondContact CG1-O 3.49Å; V333-V373 WeakPolarHBondContact O-CB 3.33Å; V333-V373 WeakPolarHBondContact O-CG1 3.42Å; V333-V373 WeakPolarHBondContact O-CG2 3.24Å
334I87.9Confident92Very high58 Ų5844.8 Ų44.830%0.29724%0.236SC..SBendtrans-74.8-36.9-173-60.5166.3000111.9R319 V373R319-I334 HydrophobicContact CB-CD1 4.5Å; R319-I334 PolarHBondContact O-N 3.19Å; I334-V373 PolarHBondContact O-N 3.1Å
335Q88Confident92Very high54 Ų5437.3 Ų37.325%0.25220%0.201SC..SBendtrans-116.5127.2-171.9-69.1-173.8-48.300112.3V333V333-Q335 WeakPolarHBondContact CG1-O 3.49Å
336P90.8Very high92Very high7 Ų734.8 Ų34.85%0.04518%0.178CC..  trans-74.2165.3176.831.3-33.9000112.1L338 A339 K340 L371 V373P336-L338 VanDerWaalsContact C-N 3.32Å; P336-L338 PolarHBondContact O-N 3.47Å; P336-A339 HydrophobicContact CG-CB 3.88Å; P336-A339 PolarHBondContact O-N 3.19Å; P336-K340 WeakPolarHBondContact O-CE 3.22Å; P336-K340 PolarHBondContact O-N 2.77Å; P336-L371 WeakPolarHBondContact CD-O 3.39Å; P336-L371 HydrophobicContact CG-CB 3.9Å; P336-V373 HydrophobicContact CB-CG2 4.28Å
337N92.8Very high91.8Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-57.7-42.9177.7-70.1-14.5000112.8V254 F265 L266 M267 A339 K340 A341V254-N337 HydrophobicContact CG1-CB 3.96Å; F265-N337 PolarHBondContact O-ND2 3.17Å; L266-N337 WeakPolarHBondContact CA-OD1 3.13Å; M267-N337 PolarHBondContact N-OD1 3.4Å; M267-N337 HydrophobicContact SD-CB 4.27Å; N337-A339 VanDerWaalsContact C-N 3.33Å; N337-A339 PolarHBondContact O-N 3.49Å; N337-K340 VanDerWaalsContact CA-CE 3.49Å; N337-K340 PolarHBondContact O-N 3.07Å; N337-K340 VanDerWaalsContact O-N 3.17Å; N337-K340 PolarHBondContact OD1-NZ 3Å; N337-A341 PolarHBondContact O-N 2.82Å
338L93.5Very high91.7Very high0 Ų031.7 Ų31.70%016%0.16CC..Hα-helixtrans-60.6-40.3179.7178.159000112.7L251 V254 P336 K340 A341 C342 C368 L371 H382 I385 L386L251-L338 HydrophobicContact CD2-CD1 3.61Å; V254-L338 HydrophobicContact CG1-CB 4.03Å; P336-L338 VanDerWaalsContact C-N 3.32Å; P336-L338 PolarHBondContact O-N 3.47Å; L338-K340 VanDerWaalsContact C-N 3.34Å; L338-K340 PolarHBondContact O-N 3.45Å; L338-A341 PolarHBondContact O-N 3.32Å; L338-C342 WeakPolarHBondContact O-CB 3.44Å; L338-C342 PolarHBondContact O-N 3.36Å; L338-C342 PolarHBondContact O-SG 2.83Å; L338-C342 VanDerWaalsContact O-SG 3.39Å; L338-C368 WeakPolarHBondContact CG-SG 3.17Å; L338-C368 PolarHBondContact O-SG 3.5Å; L338-L371 HydrophobicContact CD2-CD1 3.9Å; L338-L371 HydrophobicContact CG-CD1 4.31Å; L338-H382 WeakPolarHBondContact CB-NE2 3.45Å; L338-H382 VanDerWaalsContact CD2-CD2 3.43Å; L338-H382 WeakPolarHBondContact CD2-CD2 3.49Å; L338-I385 HydrophobicContact CD2-CG2 4.41Å; L338-L386 HydrophobicContact CD1-CB 4.48Å; L338-L386 HydrophobicContact CD1-CD1 4.21Å; L338-L386 HydrophobicContact CD2-CB 3.92Å; L338-L386 HydrophobicContact CD2-CD1 4.4Å
339A93.6Very high91.6Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-60.9-43.817600000111.7P336 N337 C342 Q343 C368 L371P336-A339 HydrophobicContact CG-CB 3.88Å; P336-A339 PolarHBondContact O-N 3.19Å; N337-A339 VanDerWaalsContact C-N 3.33Å; N337-A339 PolarHBondContact O-N 3.49Å; A339-C342 PolarHBondContact O-N 3.38Å; A339-Q343 WeakPolarHBondContact O-CB 3.34Å; A339-Q343 PolarHBondContact O-N 3.09Å; A339-C368 WeakPolarHBondContact CA-O 3.14Å; A339-L371 HydrophobicContact CB-CB 4.3Å
340K93.9Very high91.6Very high11 Ų1128.8 Ų28.85%0.04815%0.147CC..Hα-helixtrans-65.2-43177.3-64.8173.3-65.2-168.40111.6M267 T270 D317 P336 N337 L338 Q343 L344M267-K340 WeakPolarHBondContact O-CE 3.33Å; M267-K340 PolarHBondContact O-NZ 2.71Å; T270-K340 HydrophobicContact CG2-CB 4.15Å; D317-K340 HydrophobicContact CB-CD 4.26Å; P336-K340 WeakPolarHBondContact O-CE 3.22Å; P336-K340 PolarHBondContact O-N 2.77Å; N337-K340 VanDerWaalsContact CA-CE 3.49Å; N337-K340 PolarHBondContact O-N 3.07Å; N337-K340 VanDerWaalsContact O-N 3.17Å; N337-K340 PolarHBondContact OD1-NZ 3Å; L338-K340 VanDerWaalsContact C-N 3.34Å; L338-K340 PolarHBondContact O-N 3.45Å; K340-Q343 PolarHBondContact O-N 3.31Å; K340-L344 PolarHBondContact O-N 2.85Å
341A95.3Very high91.4Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-62.6-4617600000111.8L250 V254 N337 L338 Q343 L344 L345L250-A341 HydrophobicContact CD2-CB 4.06Å; L250-A341 HydrophobicContact CG-CB 4.23Å; V254-A341 HydrophobicContact CG2-CB 3.8Å; N337-A341 PolarHBondContact O-N 2.82Å; L338-A341 PolarHBondContact O-N 3.32Å; A341-Q343 VanDerWaalsContact C-N 3.3Å; A341-Q343 PolarHBondContact O-N 2.82Å; A341-L344 WeakPolarHBondContact O-CB 3.45Å; A341-L344 PolarHBondContact O-N 3.37Å; A341-L344 VanDerWaalsContact O-N 3.16Å; A341-L345 WeakPolarHBondContact O-CB 3.4Å; A341-L345 VanDerWaalsContact O-CG 3.31Å; A341-L345 WeakPolarHBondContact O-CG 3.24Å; A341-L345 PolarHBondContact O-N 2.86Å
342C95.7Very high91.3Very high0 Ų032.1 Ų32.10%017%0.167CC..Hα-helixtrans-63-35.8175.7-73.80000112.7L338 A339 L344 L345 K346 L365 C368 I369L338-C342 WeakPolarHBondContact O-CB 3.44Å; L338-C342 PolarHBondContact O-N 3.36Å; L338-C342 PolarHBondContact O-SG 2.83Å; L338-C342 VanDerWaalsContact O-SG 3.39Å; A339-C342 PolarHBondContact O-N 3.38Å; C342-L344 VanDerWaalsContact C-N 3.32Å; C342-L344 PolarHBondContact O-N 3.18Å; C342-L345 PolarHBondContact O-N 2.86Å; C342-K346 WeakPolarHBondContact O-CB 3.1Å; C342-K346 PolarHBondContact O-N 2.84Å; C342-L365 HydrophobicContact CB-CD2 4.27Å; C342-C368 HydrophobicContact CB-CB 3.58Å; C342-C368 WeakPolarHBondContact CB-SG 3.34Å; C342-C368 WeakPolarHBondContact SG-CB 3.45Å; C342-C368 CovalentContact SG-SG 2.01Å; C342-C368 PolarHBondContact SG-SG 3.47Å; C342-I369 HydrophobicContact CB-CG1 3.9Å
343Q94.1Very high91.5Very high108 Ų10828.3 Ų28.351%0.50515%0.152SC..Hα-helixtrans-64.3-38.9174.7-175146.29.700112A339 K340 A341 I369A339-Q343 WeakPolarHBondContact O-CB 3.34Å; A339-Q343 PolarHBondContact O-N 3.09Å; K340-Q343 PolarHBondContact O-N 3.31Å; A341-Q343 VanDerWaalsContact C-N 3.3Å; A341-Q343 PolarHBondContact O-N 2.82Å; Q343-I369 HydrophobicContact CB-CD1 4.39Å; Q343-I369 HydrophobicContact CB-CG1 4.12Å
344L92.9Very high91.7Very high17 Ų1729.2 Ų29.29%0.08916%0.158CC..Hα-helixtrans-66.7-41.1173.5-172.472.4000112.1L211 Y212 L250 T270 A272 L275 K340 A341 C342L211-L344 HydrophobicContact CD2-CD2 4.26Å; L211-L344 HydrophobicContact CD2-CG 4.45Å; Y212-L344 HydrophobicContact CE1-CD1 4.27Å; Y212-L344 VanDerWaalsContact OH-CD1 3.26Å; Y212-L344 WeakPolarHBondContact OH-CD1 3.43Å; L250-L344 HydrophobicContact CD2-CD2 4.28Å; T270-L344 HydrophobicContact CG2-CB 4.45Å; T270-L344 HydrophobicContact CG2-CD2 4.24Å; A272-L344 HydrophobicContact CB-CD1 4.28Å; L275-L344 HydrophobicContact CD1-CD2 3.29Å; L275-L344 HydrophobicContact CG-CD2 4.38Å; K340-L344 PolarHBondContact O-N 2.85Å; A341-L344 WeakPolarHBondContact O-CB 3.45Å; A341-L344 PolarHBondContact O-N 3.37Å; A341-L344 VanDerWaalsContact O-N 3.16Å; C342-L344 VanDerWaalsContact C-N 3.32Å; C342-L344 PolarHBondContact O-N 3.18Å
345L93.9Very high91.8Very high2 Ų231.1 Ų31.11%0.0118%0.177CC..Hα-helixtrans-76.9-19.7-177-69.7176000114A247 L250 L251 A341 C342 D347 Y348 L349 L365A247-L345 HydrophobicContact CB-CD1 3.99Å; A247-L345 HydrophobicContact CB-CD2 3.65Å; A247-L345 HydrophobicContact CB-CG 4.43Å; L250-L345 HydrophobicContact CD2-CD1 4.05Å; L250-L345 HydrophobicContact CD2-CD2 4.02Å; L250-L345 HydrophobicContact CD2-CG 3.92Å; L251-L345 HydrophobicContact CD2-CD1 4.36Å; L251-L345 HydrophobicContact CG-CD1 4.43Å; A341-L345 WeakPolarHBondContact O-CB 3.4Å; A341-L345 VanDerWaalsContact O-CG 3.31Å; A341-L345 WeakPolarHBondContact O-CG 3.24Å; A341-L345 PolarHBondContact O-N 2.86Å; C342-L345 PolarHBondContact O-N 2.86Å; L345-D347 PolarHBondContact O-N 2.88Å; L345-Y348 HydrophobicContact CD2-CD1 4.1Å; L345-Y348 WeakPolarHBondContact O-CB 3.01Å; L345-Y348 PolarHBondContact O-N 3.28Å; L345-L349 HydrophobicContact CB-CD1 4Å; L345-L349 HydrophobicContact CB-CG 4.36Å; L345-L349 WeakPolarHBondContact O-CB 3.5Å; L345-L349 PolarHBondContact O-N 3.38Å; L345-L365 HydrophobicContact CB-CD2 4.49Å
346K93.3Very high91.9Very high48 Ų4834.6 Ų34.621%0.20919%0.193CC..Hα-helixtrans-52.4-63.9-171.8-170.5-170.870.5168.50113C342 Y348 L350 Y366 I369C342-K346 WeakPolarHBondContact O-CB 3.1Å; C342-K346 PolarHBondContact O-N 2.84Å; K346-Y348 VanDerWaalsContact C-N 3.27Å; K346-Y348 PolarHBondContact O-N 2.89Å; K346-L350 HydrophobicContact CG-CD1 3.87Å; K346-L350 WeakPolarHBondContact O-CB 3.31Å; K346-L350 WeakPolarHBondContact O-CG 3.33Å; K346-L350 PolarHBondContact O-N 3.29Å; K346-Y366 HydrophobicContact CD-CE1 4.17Å; K346-I369 HydrophobicContact CB-CD1 4.16Å; K346-I369 HydrophobicContact CD-CD1 3.84Å; K346-I369 HydrophobicContact CG-CD1 4.26Å
347D88.3Confident92Very high79 Ų7935.2 Ų35.242%0.42220%0.195SC..Hα-helixtrans-72.5-27.4-177.3-61.3-24.7000111.4Q234 L345 R351Q234-D347 VanDerWaalsContact NE2-CB 3.32Å; L345-D347 PolarHBondContact O-N 2.88Å; D347-R351 WeakPolarHBondContact O-CB 3.45Å; D347-R351 PolarHBondContact O-N 3.22Å
348Y89.8Confident92Very high3 Ų341.5 Ų41.51%0.01222%0.219CC..Hα-helixtrans-64.1-45.2178.4-177-107.5000112.1L211 Y212 T237 K243 I246 L345 K346L211-Y348 HydrophobicContact CD1-CE1 4.06Å; L211-Y348 HydrophobicContact CD1-CE2 4.13Å; L211-Y348 HydrophobicContact CD2-CD1 4.41Å; L211-Y348 HydrophobicContact CD2-CD2 4.41Å; L211-Y348 HydrophobicContact CD2-CE1 4.48Å; L211-Y348 HydrophobicContact CD2-CE2 4.48Å; L211-Y348 HydrophobicContact CD2-CG 4.37Å; L211-Y348 HydrophobicContact CG-CD2 4.25Å; L211-Y348 HydrophobicContact CG-CE1 4.39Å; L211-Y348 HydrophobicContact CG-CE2 3.89Å; Y212-Y348 AromaticContact CD1-CD2 3.64Å; Y212-Y348 HydrophobicContact CD1-CD2 3.64Å; Y212-Y348 HydrophobicContact CD1-CE2 4.22Å; Y212-Y348 HydrophobicContact CD1-CG 4.37Å; Y212-Y348 HydrophobicContact CE1-CD2 4.32Å; Y212-Y348 HydrophobicContact CG-CD2 4.47Å; T237-Y348 HydrophobicContact CG2-CD2 4.23Å; T237-Y348 HydrophobicContact CG2-CE2 3.96Å; K243-Y348 HydrophobicContact CB-CD1 4.18Å; K243-Y348 HydrophobicContact CB-CE1 3.49Å; K243-Y348 VanDerWaalsContact CB-CE1 3.49Å; K243-Y348 HydrophobicContact CD-CD1 4.48Å; K243-Y348 HydrophobicContact CD-CD2 4.46Å; K243-Y348 HydrophobicContact CD-CE1 4.23Å; K243-Y348 HydrophobicContact CD-CE2 4.22Å; K243-Y348 VanDerWaalsContact CD-O 3.26Å; K243-Y348 WeakPolarHBondContact CD-O 3.39Å; K243-Y348 HydrophobicContact CG-CE1 3.9Å; K243-Y348 HydrophobicContact CG-CE2 4.23Å; K243-Y348 PolarHBondContact NZ-O 3.27Å; I246-Y348 WeakPolarHBondContact CD1-OH 3.46Å; L345-Y348 HydrophobicContact CD2-CD1 4.1Å; L345-Y348 WeakPolarHBondContact O-CB 3.01Å; L345-Y348 PolarHBondContact O-N 3.28Å; K346-Y348 VanDerWaalsContact C-N 3.27Å; K346-Y348 PolarHBondContact O-N 2.89Å
349L92.6Very high92Very high2 Ų249.6 Ų49.61%0.0126%0.257CS..Hα-helixtrans-85.8-37.5-178.4-71.3177.6000113.5W240 K243 A247 L345 R351 L361 L393W240-L349 PolarHBondContact NE1-O 2.93Å; K243-L349 HydrophobicContact CB-CD2 4.34Å; A247-L349 HydrophobicContact CB-CD1 3.96Å; A247-L349 HydrophobicContact CB-CD2 3.8Å; A247-L349 HydrophobicContact CB-CG 4.21Å; L345-L349 HydrophobicContact CB-CD1 4Å; L345-L349 HydrophobicContact CB-CG 4.36Å; L345-L349 WeakPolarHBondContact O-CB 3.5Å; L345-L349 PolarHBondContact O-N 3.38Å; L349-R351 VanDerWaalsContact C-N 3.28Å; L349-R351 PolarHBondContact O-N 3.36Å; L349-L361 HydrophobicContact CB-CD2 4.19Å; L349-L361 HydrophobicContact CD1-CD1 4.45Å; L349-L393 HydrophobicContact CD1-CD1 4.21Å; L349-L393 HydrophobicContact CD1-CD2 4.27Å; L349-L393 HydrophobicContact CD2-CD2 4.35Å
350L92.1Very high92.1Very high23 Ų2353.4 Ų53.412%0.1228%0.275CS..Hα-helixtrans-67.9-30-179-68.6177.5000112.3K346 G352 A353 L361 E362 L365K346-L350 HydrophobicContact CG-CD1 3.87Å; K346-L350 WeakPolarHBondContact O-CB 3.31Å; K346-L350 WeakPolarHBondContact O-CG 3.33Å; K346-L350 PolarHBondContact O-N 3.29Å; L350-G352 PolarHBondContact O-N 3.19Å; L350-A353 WeakPolarHBondContact O-CB 3.44Å; L350-A353 PolarHBondContact O-N 2.95Å; L350-L361 HydrophobicContact CD2-CD2 4.48Å; L350-L361 HydrophobicContact CD2-CG 4.36Å; L350-E362 HydrophobicContact CD1-CB 4.48Å; L350-E362 HydrophobicContact CD1-CG 4.16Å; L350-E362 HydrophobicContact CD2-CB 3.76Å; L350-E362 HydrophobicContact CD2-CG 4.32Å; L350-L365 HydrophobicContact CD2-CD1 4.17Å; L350-L365 HydrophobicContact CG-CD1 4.11Å
351R87.7Confident92.1Very high98 Ų9852.9 Ų52.937%0.3727%0.272SS..THydrogen-bonded Turntrans-75112.4176.2-173.5-175.8-70.5-126.82.8111.1K243 D347 L349K243-R351 PolarHBondContact NZ-O 2.84Å; D347-R351 WeakPolarHBondContact O-CB 3.45Å; D347-R351 PolarHBondContact O-N 3.22Å; L349-R351 VanDerWaalsContact C-N 3.28Å; L349-R351 PolarHBondContact O-N 3.36Å
352G85.9Confident92.1Very high60 Ų6056.1 Ų56.162%0.61929%0.288SS*.THydrogen-bonded Turntrans85.311.8-17800000113.3W240 L350W240-G352 WeakPolarHBondContact CB-O 3.47Å; W240-G352 VanDerWaalsContact CD1-O 3.28Å; L350-G352 PolarHBondContact O-N 3.19Å
353A91.4Very high92.1Very high13 Ų1362.3 Ų62.311%0.10732%0.315CS..  trans-62.2133.5175.200000111.6W240 L350 R358 L361W240-A353 VanDerWaalsContact CD1-CA 3.49Å; L350-A353 WeakPolarHBondContact O-CB 3.44Å; L350-A353 PolarHBondContact O-N 2.95Å; A353-R358 HydrophobicContact CB-CB 4.14Å; A353-R358 HydrophobicContact CB-CG 4.23Å; A353-L361 HydrophobicContact CB-CD2 4.49Å
354P91.9Very high92.1Very high30 Ų3058.5 Ų58.520%0.19530%0.297CS..  trans-54.7138.4169.6-21.829.8000111.2W240 E356 I357 R358 K396W240-P354 VanDerWaalsContact CD2-CD 3.46Å; W240-P354 HydrophobicContact CD2-CG 4.2Å; W240-P354 HydrophobicContact CE3-CG 3.98Å; W240-P354 HydrophobicContact CZ3-CG 4.29Å; P354-E356 WeakPolarHBondContact CB-OE2 3.46Å; P354-E356 PolarHBondContact O-N 3.24Å; P354-E356 VanDerWaalsContact O-N 3.15Å; P354-I357 HydrophobicContact CB-CG1 4.19Å; P354-I357 HydrophobicContact CG-CD1 4.29Å; P354-I357 HydrophobicContact CG-CG1 4.34Å; P354-I357 PolarHBondContact O-N 3.07Å; P354-R358 WeakPolarHBondContact O-CB 3.4Å; P354-R358 PolarHBondContact O-N 3.17Å; P354-R358 VanDerWaalsContact O-N 3.14Å; P354-K396 HydrophobicContact CG-CD 4.41Å; P354-K396 HydrophobicContact CG-CG 4.36Å
355S90.7Very high92.2Very high99 Ų9957.8 Ų57.869%0.69229%0.293SS*.Hα-helixtrans-53.1-37.7-178.627.40000112.9I357S355-I357 VanDerWaalsContact C-N 3.28Å; S355-I357 PolarHBondContact O-N 2.86Å
356E90.7Very high92.3Very high126 Ų12663.2 Ų63.259%0.58931%0.314SS*.Hα-helixtrans-63.6-29.8-174.8-5078.6-113.600113.8P354 K396P354-E356 WeakPolarHBondContact CB-OE2 3.46Å; P354-E356 PolarHBondContact O-N 3.24Å; P354-E356 VanDerWaalsContact O-N 3.15Å; E356-K396 IonicContact OE2-NZ 3.84Å; E356-K396 PolarHBondContact OE2-NZ 3Å
357I92.3Very high92.3Very high20 Ų2063.7 Ų63.710%0.10332%0.323CS..Hα-helixtrans-114.3-8.8-174.961.2167.1000113W240 P354 S355 E359 E360 L361 L392 K396W240-I357 HydrophobicContact CH2-CD1 3.14Å; W240-I357 HydrophobicContact CZ2-CD1 3.4Å; W240-I357 HydrophobicContact CZ3-CD1 3.95Å; P354-I357 HydrophobicContact CB-CG1 4.19Å; P354-I357 HydrophobicContact CG-CD1 4.29Å; P354-I357 HydrophobicContact CG-CG1 4.34Å; P354-I357 PolarHBondContact O-N 3.07Å; S355-I357 VanDerWaalsContact C-N 3.28Å; S355-I357 PolarHBondContact O-N 2.86Å; I357-E359 PolarHBondContact O-N 3.04Å; I357-E360 PolarHBondContact O-N 3.2Å; I357-L361 WeakPolarHBondContact O-CB 3.18Å; I357-L361 PolarHBondContact O-N 3.23Å; I357-L392 HydrophobicContact CB-CD1 4.44Å; I357-L392 HydrophobicContact CG2-CD1 4.22Å; I357-K396 HydrophobicContact CD1-CB 4.16Å; I357-K396 HydrophobicContact CD1-CG 4.01Å
358R93.3Very high92.5Very high133 Ų13359.9 Ų59.950%0.50230%0.303SS..Hα-helixtrans-59.5-45.6-170.6178.9175.1172166.1-2.1112.6A353 P354 E362A353-R358 HydrophobicContact CB-CB 4.14Å; A353-R358 HydrophobicContact CB-CG 4.23Å; P354-R358 WeakPolarHBondContact O-CB 3.4Å; P354-R358 PolarHBondContact O-N 3.17Å; P354-R358 VanDerWaalsContact O-N 3.14Å; R358-E362 VanDerWaalsContact O-CB 3.27Å; R358-E362 WeakPolarHBondContact O-CB 3.4Å; R358-E362 PolarHBondContact O-N 3.44Å
359E93.8Very high92.7Very high169 Ų16961.3 Ų61.379%0.7931%0.31SS*.Hα-helixtrans-65.7-47.7-178.6-172.8-179.8175.300111.7I357 E362 K363I357-E359 PolarHBondContact O-N 3.04Å; E359-E362 PolarHBondContact O-N 2.95Å; E359-K363 PolarHBondContact O-N 3.33Å
360E93.9Very high92.7Very high80 Ų8064.6 Ų64.637%0.37434%0.338SS..Hα-helixtrans-65.6-42178.3-174.157.8-150.500111.4I357 E362 K363 Q364 L392I357-E360 PolarHBondContact O-N 3.2Å; E360-E362 PolarHBondContact O-N 3.5Å; E360-K363 PolarHBondContact O-N 2.89Å; E360-Q364 HydrophobicContact CG-CG 4.46Å; E360-Q364 VanDerWaalsContact O-CG 3.27Å; E360-Q364 WeakPolarHBondContact O-CG 3.22Å; E360-Q364 PolarHBondContact O-N 3.32Å; E360-Q364 PolarHBondContact OE1-NE2 3.05Å; E360-L392 HydrophobicContact CB-CD2 4.48Å; E360-L392 HydrophobicContact CG-CD1 4.42Å; E360-L392 HydrophobicContact CG-CD2 4.17Å
361L94.8Very high92.5Very high0 Ų064.2 Ų64.20%034%0.336CS..Hα-helixtrans-61.1-44.2176.6179.260.5000111.6W240 L349 L350 A353 I357 Q364 L365 L389 L392 L393W240-L361 HydrophobicContact CZ2-CD2 4.08Å; L349-L361 HydrophobicContact CB-CD2 4.19Å; L349-L361 HydrophobicContact CD1-CD1 4.45Å; L350-L361 HydrophobicContact CD2-CD2 4.48Å; L350-L361 HydrophobicContact CD2-CG 4.36Å; A353-L361 HydrophobicContact CB-CD2 4.49Å; I357-L361 WeakPolarHBondContact O-CB 3.18Å; I357-L361 PolarHBondContact O-N 3.23Å; L361-Q364 PolarHBondContact O-N 2.98Å; L361-L365 HydrophobicContact CD1-CD1 3.95Å; L361-L365 HydrophobicContact CD1-CG 4.18Å; L361-L365 HydrophobicContact CG-CD1 3.84Å; L361-L365 WeakPolarHBondContact O-CB 3.44Å; L361-L365 WeakPolarHBondContact O-CD1 3.45Å; L361-L365 VanDerWaalsContact O-CG 3.23Å; L361-L365 WeakPolarHBondContact O-CG 3.43Å; L361-L365 PolarHBondContact O-N 3.32Å; L361-L389 HydrophobicContact CD1-CD2 4.22Å; L361-L392 HydrophobicContact CB-CD2 3.96Å; L361-L392 HydrophobicContact CD1-CD2 4.16Å; L361-L393 HydrophobicContact CD1-CD2 4.19Å
362E95.4Very high92.1Very high69 Ų6966.4 Ų66.432%0.32235%0.348SS..Hα-helixtrans-60.7-47176.9-174.9164.4-17000111.3L350 R358 E359 E360 L365 Y366L350-E362 HydrophobicContact CD1-CB 4.48Å; L350-E362 HydrophobicContact CD1-CG 4.16Å; L350-E362 HydrophobicContact CD2-CB 3.76Å; L350-E362 HydrophobicContact CD2-CG 4.32Å; R358-E362 VanDerWaalsContact O-CB 3.27Å; R358-E362 WeakPolarHBondContact O-CB 3.4Å; R358-E362 PolarHBondContact O-N 3.44Å; E359-E362 PolarHBondContact O-N 2.95Å; E360-E362 PolarHBondContact O-N 3.5Å; E362-L365 PolarHBondContact O-N 3.32Å; E362-Y366 HydrophobicContact CG-CD2 3.71Å; E362-Y366 HydrophobicContact CG-CE2 3.45Å; E362-Y366 VanDerWaalsContact CG-CE2 3.45Å; E362-Y366 WeakPolarHBondContact O-CD2 3.07Å; E362-Y366 PolarHBondContact O-N 3.4Å; E362-Y366 WeakPolarHBondContact OE1-CE2 3.45Å
363K95Very high91.3Very high130 Ų13065.9 Ų65.957%0.56533%0.333SS*.Hα-helixtrans-58.3-50.1176.4-177-177.1174.7-171.30112E359 E360 L365 Y366 S367E359-K363 PolarHBondContact O-N 3.33Å; E360-K363 PolarHBondContact O-N 2.89Å; K363-L365 VanDerWaalsContact C-N 3.34Å; K363-L365 PolarHBondContact O-N 2.94Å; K363-Y366 PolarHBondContact O-N 3.02Å; K363-S367 PolarHBondContact O-N 3.28Å; K363-S367 PolarHBondContact O-OG 2.99Å
364Q94.1Very high89.8Confident28 Ų2870.1 Ų70.113%0.13136%0.358CS..Hα-helixtrans-63-39.8179.7-65.8-63.5-34.500111.9E360 L361 S367 C368 L389E360-Q364 HydrophobicContact CG-CG 4.46Å; E360-Q364 VanDerWaalsContact O-CG 3.27Å; E360-Q364 WeakPolarHBondContact O-CG 3.22Å; E360-Q364 PolarHBondContact O-N 3.32Å; E360-Q364 PolarHBondContact OE1-NE2 3.05Å; L361-Q364 PolarHBondContact O-N 2.98Å; Q364-S367 PolarHBondContact O-N 3.43Å; Q364-C368 VanDerWaalsContact O-CB 3.25Å; Q364-C368 WeakPolarHBondContact O-CB 3.45Å; Q364-C368 PolarHBondContact O-N 3.04Å; Q364-L389 HydrophobicContact CB-CD2 3.53Å; Q364-L389 HydrophobicContact CB-CG 4.18Å
365L95.6Very high87.9Confident1 Ų173 Ų731%0.00539%0.385CS..Hα-helixtrans-64.5-42.6176.5-75.3165.4000112.1C342 L345 L350 L361 E362 K363 C368 I369 L389C342-L365 HydrophobicContact CB-CD2 4.27Å; L345-L365 HydrophobicContact CB-CD2 4.49Å; L350-L365 HydrophobicContact CD2-CD1 4.17Å; L350-L365 HydrophobicContact CG-CD1 4.11Å; L361-L365 HydrophobicContact CD1-CD1 3.95Å; L361-L365 HydrophobicContact CD1-CG 4.18Å; L361-L365 HydrophobicContact CG-CD1 3.84Å; L361-L365 WeakPolarHBondContact O-CB 3.44Å; L361-L365 WeakPolarHBondContact O-CD1 3.45Å; L361-L365 VanDerWaalsContact O-CG 3.23Å; L361-L365 WeakPolarHBondContact O-CG 3.43Å; L361-L365 PolarHBondContact O-N 3.32Å; E362-L365 PolarHBondContact O-N 3.32Å; K363-L365 VanDerWaalsContact C-N 3.34Å; K363-L365 PolarHBondContact O-N 2.94Å; L365-C368 WeakPolarHBondContact O-CB 3.38Å; L365-C368 PolarHBondContact O-N 3.36Å; L365-I369 WeakPolarHBondContact O-CD1 3.29Å; L365-I369 WeakPolarHBondContact O-CG1 3.42Å; L365-I369 PolarHBondContact O-N 3.36Å; L365-L389 HydrophobicContact CD2-CD2 4.44Å; L365-L389 HydrophobicContact CG-CD2 4.42Å
366Y95.2Very high86Confident116 Ų11676 Ų7646%0.45539%0.393SS..Hα-helixtrans-66.8-42176.4-81.2-65.4000112.5K346 E362 K363 C368 I369 A370K346-Y366 HydrophobicContact CD-CE1 4.17Å; E362-Y366 HydrophobicContact CG-CD2 3.71Å; E362-Y366 HydrophobicContact CG-CE2 3.45Å; E362-Y366 VanDerWaalsContact CG-CE2 3.45Å; E362-Y366 WeakPolarHBondContact O-CD2 3.07Å; E362-Y366 PolarHBondContact O-N 3.4Å; E362-Y366 WeakPolarHBondContact OE1-CE2 3.45Å; K363-Y366 PolarHBondContact O-N 3.02Å; Y366-C368 VanDerWaalsContact C-N 3.27Å; Y366-C368 PolarHBondContact O-N 2.97Å; Y366-I369 PolarHBondContact O-N 2.9Å; Y366-A370 WeakPolarHBondContact O-CB 3.28Å; Y366-A370 PolarHBondContact O-N 2.95Å
367S93.1Very high84.3Confident58 Ų5876.5 Ų76.541%0.40640%0.395SS..Hα-helixtrans-58.8-41.7172.5-68.50000111.5K363 Q364 A370 L371K363-S367 PolarHBondContact O-N 3.28Å; K363-S367 PolarHBondContact O-OG 2.99Å; Q364-S367 PolarHBondContact O-N 3.43Å; S367-A370 PolarHBondContact O-N 3.01Å; S367-L371 PolarHBondContact O-N 3Å
368C94.1Very high83Confident0 Ų077.3 Ų77.30%040%0.399CS..Hα-helixtrans-63.2-44.5176.6-176.20000113.2L338 A339 C342 Q364 L365 Y366 A370 L371 I385 L389L338-C368 WeakPolarHBondContact CG-SG 3.17Å; L338-C368 PolarHBondContact O-SG 3.5Å; A339-C368 WeakPolarHBondContact CA-O 3.14Å; C342-C368 HydrophobicContact CB-CB 3.58Å; C342-C368 WeakPolarHBondContact CB-SG 3.34Å; C342-C368 WeakPolarHBondContact SG-CB 3.45Å; C342-C368 CovalentContact SG-SG 2.01Å; C342-C368 PolarHBondContact SG-SG 3.47Å; Q364-C368 VanDerWaalsContact O-CB 3.25Å; Q364-C368 WeakPolarHBondContact O-CB 3.45Å; Q364-C368 PolarHBondContact O-N 3.04Å; L365-C368 WeakPolarHBondContact O-CB 3.38Å; L365-C368 PolarHBondContact O-N 3.36Å; Y366-C368 VanDerWaalsContact C-N 3.27Å; Y366-C368 PolarHBondContact O-N 2.97Å; C368-A370 VanDerWaalsContact C-N 3.27Å; C368-A370 PolarHBondContact O-N 2.94Å; C368-L371 VanDerWaalsContact O-CB 3.31Å; C368-L371 WeakPolarHBondContact O-CB 3.39Å; C368-L371 WeakPolarHBondContact O-CG 3.29Å; C368-L371 PolarHBondContact O-N 3.44Å; C368-I385 HydrophobicContact CB-CG2 3.67Å; C368-L389 HydrophobicContact CB-CD1 4.15Å
369I93.7Very high81.9Confident32 Ų3277 Ų7716%0.16440%0.403CS..Hα-helixtrans-66.6-31.7178.8-67.3163.2000111.5C342 Q343 K346 L365 Y366 L371C342-I369 HydrophobicContact CB-CG1 3.9Å; Q343-I369 HydrophobicContact CB-CD1 4.39Å; Q343-I369 HydrophobicContact CB-CG1 4.12Å; K346-I369 HydrophobicContact CB-CD1 4.16Å; K346-I369 HydrophobicContact CD-CD1 3.84Å; K346-I369 HydrophobicContact CG-CD1 4.26Å; L365-I369 WeakPolarHBondContact O-CD1 3.29Å; L365-I369 WeakPolarHBondContact O-CG1 3.42Å; L365-I369 PolarHBondContact O-N 3.36Å; Y366-I369 PolarHBondContact O-N 2.9Å; I369-L371 PolarHBondContact O-N 3.35Å
370A91.1Very high80.8Confident72 Ų7275.5 Ų75.560%0.59540%0.397SS*.THydrogen-bonded Turntrans-75.2-7.1179.400000113.9Y366 S367 C368 K372Y366-A370 WeakPolarHBondContact O-CB 3.28Å; Y366-A370 PolarHBondContact O-N 2.95Å; S367-A370 PolarHBondContact O-N 3.01Å; C368-A370 VanDerWaalsContact C-N 3.27Å; C368-A370 PolarHBondContact O-N 2.94Å; A370-K372 PolarHBondContact O-N 2.79Å
371L88.4Confident80.2Confident14 Ų1476.5 Ų76.57%0.07340%0.402CS..  trans-58.5129.6177.3-73.4173000111.1P336 L338 A339 S367 C368 I369 I385P336-L371 WeakPolarHBondContact CD-O 3.39Å; P336-L371 HydrophobicContact CG-CB 3.9Å; L338-L371 HydrophobicContact CD2-CD1 3.9Å; L338-L371 HydrophobicContact CG-CD1 4.31Å; A339-L371 HydrophobicContact CB-CB 4.3Å; S367-L371 PolarHBondContact O-N 3Å; C368-L371 VanDerWaalsContact O-CB 3.31Å; C368-L371 WeakPolarHBondContact O-CB 3.39Å; C368-L371 WeakPolarHBondContact O-CG 3.29Å; C368-L371 PolarHBondContact O-N 3.44Å; I369-L371 PolarHBondContact O-N 3.35Å; L371-I385 HydrophobicContact CD1-CD1 3.96Å; L371-I385 HydrophobicContact CD2-CD1 3.81Å; L371-I385 HydrophobicContact CG-CD1 4.02Å
372K80.6Confident79.6Confident144 Ų14476.7 Ų76.763%0.62640%0.403SS*.  trans-122.5151.5174.9-68-175.1-179.8-1770109.9A370 T374A370-K372 PolarHBondContact O-N 2.79Å; K372-T374 PolarHBondContact O-N 3.26Å; K372-T374 VanDerWaalsContact O-N 3.1Å
373V67.9Low79.2Confident49 Ų4975.6 Ų75.630%0.29740%0.403SS..  trans-79.291.8176.2-178.80000109V333 I334 P336 M378V333-V373 WeakPolarHBondContact O-CB 3.33Å; V333-V373 WeakPolarHBondContact O-CG1 3.42Å; V333-V373 WeakPolarHBondContact O-CG2 3.24Å; I334-V373 PolarHBondContact O-N 3.1Å; P336-V373 HydrophobicContact CB-CG2 4.28Å; V373-M378 VanDerWaalsContact CA-CE 3.42Å; V373-M378 HydrophobicContact CB-CE 4Å; V373-M378 HydrophobicContact CB-SD 4.25Å; V373-M378 HydrophobicContact CG1-CE 3.59Å; V373-M378 HydrophobicContact CG1-SD 4.13Å; V373-M378 HydrophobicContact CG2-SD 4.22Å
374T60.1Low78.9Confident102 Ų10274.3 Ų74.363%0.62640%0.402SS*.  trans-125132.3167.2490000111.6K372 M378K372-T374 PolarHBondContact O-N 3.26Å; K372-T374 VanDerWaalsContact O-N 3.1Å; T374-M378 WeakPolarHBondContact O-CE 3.33Å
375A53Low78.8Confident92 Ų9274 Ų7476%0.7640%0.401SS*.THydrogen-bonded Turntrans-65.9142.7-168.900000114.5
376N50.5Low78.6Confident161 Ų16174 Ų7486%0.86140%0.401SS*.THydrogen-bonded Turntrans96.3-22.1169.1-66-3.9000120.6
377Q55.1Low78.4Confident137 Ų13771.9 Ų71.964%0.6440%0.398SS*.THydrogen-bonded Turntrans-118.4-2.9176.3-76.1176-29.200114.4E381Q377-E381 PolarHBondContact O-N 2.9Å
378M64.9Low78.5Confident37 Ų3772.3 Ų72.318%0.18240%0.395CS..Hα-helixtrans-72.9-40.5-166-167.6-165.4-36.500114.8V373 T374 M380 E381 H382V373-M378 VanDerWaalsContact CA-CE 3.42Å; V373-M378 HydrophobicContact CB-CE 4Å; V373-M378 HydrophobicContact CB-SD 4.25Å; V373-M378 HydrophobicContact CG1-CE 3.59Å; V373-M378 HydrophobicContact CG1-SD 4.13Å; V373-M378 HydrophobicContact CG2-SD 4.22Å; T374-M378 WeakPolarHBondContact O-CE 3.33Å; M378-M380 VanDerWaalsContact C-N 3.29Å; M378-M380 PolarHBondContact O-N 3.46Å; M378-E381 PolarHBondContact O-N 3.47Å; M378-H382 WeakPolarHBondContact O-CB 3.49Å; M378-H382 PolarHBondContact O-N 2.95Å
379E68.9Low78.5Confident125 Ų12572.5 Ų72.558%0.58440%0.396SS*.Hα-helixtrans-65.3-36.4-175.9-65.3-175159.700111.7H259 S383H259-E379 IonicContact CE1-OE1 3.27Å; E379-S383 VanDerWaalsContact O-CB 3.28Å; E379-S383 WeakPolarHBondContact O-CB 3.44Å; E379-S383 PolarHBondContact O-N 3.37Å; E379-S383 PolarHBondContact O-OG 3.49Å
380M72.2Confident78.5Confident138 Ų13872.7 Ų72.768%0.6840%0.396SS*.Hα-helixtrans-69.3-46.1175.3-69.2-170.7-68.200111.7M378 S383 L384M378-M380 VanDerWaalsContact C-N 3.29Å; M378-M380 PolarHBondContact O-N 3.46Å; M380-S383 PolarHBondContact O-N 3.36Å; M380-L384 VanDerWaalsContact O-CB 3.24Å; M380-L384 WeakPolarHBondContact O-CB 3.48Å; M380-L384 PolarHBondContact O-N 3.15Å
381E80.5Confident78.6Confident101 Ų10173.5 Ų73.547%0.47239%0.393SS..Hα-helixtrans-64.8-42.3178.2-72.5-173169.700112.2Q377 M378 L384 I385Q377-E381 PolarHBondContact O-N 2.9Å; M378-E381 PolarHBondContact O-N 3.47Å; E381-L384 PolarHBondContact O-N 2.89Å; E381-I385 WeakPolarHBondContact O-CB 3.03Å; E381-I385 WeakPolarHBondContact O-CG1 3.38Å; E381-I385 PolarHBondContact O-N 3.32Å
382H83.1Confident78.8Confident4 Ų474.4 Ų74.42%0.01940%0.398CS..Hα-helixtrans-57.3-53.1174.9-179.2-91.3000110.9F258 L338 M378 L384 I385 L386F258-H382 AromaticContact CD1-CE1 3.36Å; F258-H382 WeakPolarHBondContact CD1-CE1 3.41Å; F258-H382 AromaticContact CD1-ND1 3.78Å; F258-H382 AromaticContact CD1-NE2 3.84Å; F258-H382 AromaticContact CE1-CE1 3.72Å; F258-H382 AromaticContact CE1-ND1 3.74Å; L338-H382 WeakPolarHBondContact CB-NE2 3.45Å; L338-H382 VanDerWaalsContact CD2-CD2 3.43Å; L338-H382 WeakPolarHBondContact CD2-CD2 3.49Å; M378-H382 WeakPolarHBondContact O-CB 3.49Å; M378-H382 PolarHBondContact O-N 2.95Å; H382-L384 VanDerWaalsContact C-N 3.33Å; H382-L384 PolarHBondContact O-N 2.95Å; H382-I385 PolarHBondContact O-N 3.3Å; H382-L386 WeakPolarHBondContact O-CB 3.02Å; H382-L386 PolarHBondContact O-N 2.86Å
383S85.7Confident79.5Confident46 Ų4667.6 Ų67.632%0.32237%0.369SS..Hα-helixtrans-63.1-38.7179.9-58.80000112.1E379 M380 N387E379-S383 VanDerWaalsContact O-CB 3.28Å; E379-S383 WeakPolarHBondContact O-CB 3.44Å; E379-S383 PolarHBondContact O-N 3.37Å; E379-S383 PolarHBondContact O-OG 3.49Å; M380-S383 PolarHBondContact O-N 3.36Å; S383-N387 VanDerWaalsContact O-CB 3.26Å; S383-N387 WeakPolarHBondContact O-CB 3.44Å; S383-N387 VanDerWaalsContact O-CG 3.26Å; S383-N387 PolarHBondContact O-N 3.44Å; S383-N387 PolarHBondContact O-ND2 3.01Å
384L89.4Confident80.6Confident103 Ų10372.8 Ų72.854%0.53938%0.383SS..Hα-helixtrans-65.6-50.7178.8-179.964.2000111.7M380 E381 H382 N387 N388M380-L384 VanDerWaalsContact O-CB 3.24Å; M380-L384 WeakPolarHBondContact O-CB 3.48Å; M380-L384 PolarHBondContact O-N 3.15Å; E381-L384 PolarHBondContact O-N 2.89Å; H382-L384 VanDerWaalsContact C-N 3.33Å; H382-L384 PolarHBondContact O-N 2.95Å; L384-N387 PolarHBondContact O-N 3.07Å; L384-N388 WeakPolarHBondContact O-CB 3.45Å; L384-N388 PolarHBondContact O-N 3.39Å; L384-N388 PolarHBondContact O-ND2 3.48Å
385I91.1Very high81.9Confident21 Ų2174.3 Ų74.311%0.10838%0.381CS..Hα-helixtrans-64.1-44.6-179.7-70.8167.8000110.4L338 C368 L371 E381 H382 N387 N388 L389L338-I385 HydrophobicContact CD2-CG2 4.41Å; C368-I385 HydrophobicContact CB-CG2 3.67Å; L371-I385 HydrophobicContact CD1-CD1 3.96Å; L371-I385 HydrophobicContact CD2-CD1 3.81Å; L371-I385 HydrophobicContact CG-CD1 4.02Å; E381-I385 WeakPolarHBondContact O-CB 3.03Å; E381-I385 WeakPolarHBondContact O-CG1 3.38Å; E381-I385 PolarHBondContact O-N 3.32Å; H382-I385 PolarHBondContact O-N 3.3Å; I385-N387 PolarHBondContact O-N 3.43Å; I385-N388 PolarHBondContact O-N 2.04Å; I385-L389 HydrophobicContact CG2-CD1 3.91Å; I385-L389 HydrophobicContact CG2-CG 4.44Å; I385-L389 WeakPolarHBondContact O-CB 2.99Å; I385-L389 WeakPolarHBondContact O-CG 3.42Å; I385-L389 PolarHBondContact O-N 2.03Å
386L91.8Very high83.5Confident3 Ų373.2 Ų73.22%0.01636%0.359CS..Hα-helixtrans-58.6-48.5178-173.9145000111.1V254 E255 L338 H382 L389 K390V254-L386 HydrophobicContact CG1-CD1 4.44Å; E255-L386 HydrophobicContact CB-CD1 4.16Å; E255-L386 HydrophobicContact CB-CD2 4.44Å; L338-L386 HydrophobicContact CD1-CB 4.48Å; L338-L386 HydrophobicContact CD1-CD1 4.21Å; L338-L386 HydrophobicContact CD2-CB 3.92Å; L338-L386 HydrophobicContact CD2-CD1 4.4Å; H382-L386 WeakPolarHBondContact O-CB 3.02Å; H382-L386 PolarHBondContact O-N 2.86Å; L386-L389 PolarHBondContact O-N 3.45Å; L386-K390 HydrophobicContact CD2-CD 3.97Å; L386-K390 WeakPolarHBondContact O-CG 3.07Å; L386-K390 PolarHBondContact O-N 3.47Å
387N92.4Very high85.3Confident71 Ų7166.3 Ų66.338%0.3832%0.322SS..Hα-helixtrans-67.9-37.8179.2-75.2-36.2000113S383 L384 I385 K390 T391S383-N387 VanDerWaalsContact O-CB 3.26Å; S383-N387 WeakPolarHBondContact O-CB 3.44Å; S383-N387 VanDerWaalsContact O-CG 3.26Å; S383-N387 PolarHBondContact O-N 3.44Å; S383-N387 PolarHBondContact O-ND2 3.01Å; L384-N387 PolarHBondContact O-N 3.07Å; I385-N387 PolarHBondContact O-N 3.43Å; N387-K390 WeakPolarHBondContact OD1-CE 3.37Å; N387-K390 PolarHBondContact OD1-NZ 2.96Å; N387-T391 VanDerWaalsContact O-CB 3.26Å; N387-T391 WeakPolarHBondContact O-CB 3.37Å; N387-T391 PolarHBondContact O-N 3.13Å; N387-T391 PolarHBondContact O-OG1 2.84Å
388N93.6Very high86.5Confident66 Ų6662.8 Ų62.835%0.35331%0.312SS..Hα-helixtrans-63.3-45.4175.2-74.7-17.4000111.5L384 I385 T391 L392L384-N388 WeakPolarHBondContact O-CB 3.45Å; L384-N388 PolarHBondContact O-N 3.39Å; L384-N388 PolarHBondContact O-ND2 3.48Å; I385-N388 PolarHBondContact O-N 2.04Å; N388-T391 PolarHBondContact O-N 3.14Å; N388-L392 VanDerWaalsContact O-CB 3.31Å; N388-L392 WeakPolarHBondContact O-CB 3.44Å; N388-L392 PolarHBondContact O-N 3.34Å
389L94.8Very high86.4Confident4 Ų469.7 Ų69.72%0.02134%0.338CS..Hα-helixtrans-61.8-49.8176.4-77.4171.4000111.5L251 L361 Q364 L365 C368 I385 L386 T391 L392 L393L251-L389 HydrophobicContact CD1-CB 3.91Å; L361-L389 HydrophobicContact CD1-CD2 4.22Å; Q364-L389 HydrophobicContact CB-CD2 3.53Å; Q364-L389 HydrophobicContact CB-CG 4.18Å; L365-L389 HydrophobicContact CD2-CD2 4.44Å; L365-L389 HydrophobicContact CG-CD2 4.42Å; C368-L389 HydrophobicContact CB-CD1 4.15Å; I385-L389 HydrophobicContact CG2-CD1 3.91Å; I385-L389 HydrophobicContact CG2-CG 4.44Å; I385-L389 WeakPolarHBondContact O-CB 2.99Å; I385-L389 WeakPolarHBondContact O-CG 3.42Å; I385-L389 PolarHBondContact O-N 2.03Å; L386-L389 PolarHBondContact O-N 3.45Å; L389-T391 VanDerWaalsContact C-N 3.33Å; L389-T391 PolarHBondContact O-N 2.77Å; L389-L392 PolarHBondContact O-N 3.41Å; L389-L393 WeakPolarHBondContact O-CG 3.49Å; L389-L393 PolarHBondContact O-N 2.82Å
390K94.2Very high86Confident36 Ų3666 Ų6616%0.15732%0.324CS..Hα-helixtrans-56.9-47176.4-73-170-52.7-171.30111.2L251 E252 E255 L386 N387 L392 L393 W394L251-K390 HydrophobicContact CB-CD 4.28Å; L251-K390 HydrophobicContact CB-CG 3.96Å; L251-K390 HydrophobicContact CD1-CG 3.92Å; E252-K390 HydrophobicContact CG-CD 4.19Å; E255-K390 IonicContact OE1-NZ 2.83Å; E255-K390 IonicContact OE2-NZ 2.85Å; E255-K390 PolarHBondContact OE2-NZ 3.08Å; L386-K390 HydrophobicContact CD2-CD 3.97Å; L386-K390 WeakPolarHBondContact O-CG 3.07Å; L386-K390 PolarHBondContact O-N 3.47Å; N387-K390 WeakPolarHBondContact OD1-CE 3.37Å; N387-K390 PolarHBondContact OD1-NZ 2.96Å; K390-L392 PolarHBondContact O-N 3.14Å; K390-L393 PolarHBondContact O-N 3.39Å; K390-W394 WeakPolarHBondContact O-CB 3.45Å; K390-W394 PolarHBondContact O-N 3.38Å
391T93.1Very high84.9Confident89 Ų8967.6 Ų67.655%0.54634%0.335SS..Hα-helixtrans-64-42.4-179.2-57.40000112N387 N388 L389 K395N387-T391 VanDerWaalsContact O-CB 3.26Å; N387-T391 WeakPolarHBondContact O-CB 3.37Å; N387-T391 PolarHBondContact O-N 3.13Å; N387-T391 PolarHBondContact O-OG1 2.84Å; N388-T391 PolarHBondContact O-N 3.14Å; L389-T391 VanDerWaalsContact C-N 3.33Å; L389-T391 PolarHBondContact O-N 2.77Å; T391-K395 WeakPolarHBondContact O-CB 3.44Å; T391-K395 PolarHBondContact O-N 3.22Å
392L92.8Very high83.3Confident33 Ų3368 Ų6817%0.17334%0.341CS..Hα-helixtrans-62.4-45.3178.5-176.366.4000111.4I357 E360 L361 N388 L389 K390 K396I357-L392 HydrophobicContact CB-CD1 4.44Å; I357-L392 HydrophobicContact CG2-CD1 4.22Å; E360-L392 HydrophobicContact CB-CD2 4.48Å; E360-L392 HydrophobicContact CG-CD1 4.42Å; E360-L392 HydrophobicContact CG-CD2 4.17Å; L361-L392 HydrophobicContact CB-CD2 3.96Å; L361-L392 HydrophobicContact CD1-CD2 4.16Å; N388-L392 VanDerWaalsContact O-CB 3.31Å; N388-L392 WeakPolarHBondContact O-CB 3.44Å; N388-L392 PolarHBondContact O-N 3.34Å; L389-L392 PolarHBondContact O-N 3.41Å; K390-L392 PolarHBondContact O-N 3.14Å; L392-K396 PolarHBondContact O-N 2.86Å
393L93.7Very high81.2Confident1 Ų174.3 Ų74.31%0.00539%0.385CS..Hα-helixtrans-67-48.6177.4-65.4176.7000111.1W240 A244 A247 I248 L251 L349 L361 L389 K390 K395 K396 I397W240-L393 HydrophobicContact CH2-CD2 4Å; W240-L393 HydrophobicContact CZ2-CD2 4.04Å; A244-L393 HydrophobicContact CB-CB 4.39Å; A244-L393 HydrophobicContact CB-CD2 4.03Å; A247-L393 HydrophobicContact CB-CD1 4.07Å; I248-L393 HydrophobicContact CD1-CB 3.77Å; I248-L393 HydrophobicContact CG1-CB 3.79Å; I248-L393 HydrophobicContact CG1-CD1 3.97Å; L251-L393 HydrophobicContact CD1-CD1 4.38Å; L349-L393 HydrophobicContact CD1-CD1 4.21Å; L349-L393 HydrophobicContact CD1-CD2 4.27Å; L349-L393 HydrophobicContact CD2-CD2 4.35Å; L361-L393 HydrophobicContact CD1-CD2 4.19Å; L389-L393 WeakPolarHBondContact O-CG 3.49Å; L389-L393 PolarHBondContact O-N 2.82Å; K390-L393 PolarHBondContact O-N 3.39Å; L393-K395 PolarHBondContact O-N 3.16Å; L393-K396 PolarHBondContact O-N 3.3Å; L393-I397 PolarHBondContact O-N 2.76Å
394W91.3Very high81Confident158 Ų15875.8 Ų75.860%0.59839%0.388SS*.Hα-helixtrans-58.5-46.4-179.8-173.4-104.3000111.9I248 K390 K396 I397 S398I248-W394 HydrophobicContact CD1-CB 4.3Å; I248-W394 HydrophobicContact CD1-CE3 4.04Å; K390-W394 WeakPolarHBondContact O-CB 3.45Å; K390-W394 PolarHBondContact O-N 3.38Å; W394-K396 PolarHBondContact O-N 3.05Å; W394-K396 VanDerWaalsContact O-N 3.13Å; W394-I397 HydrophobicContact CE3-CD1 3.8Å; W394-I397 HydrophobicContact CE3-CG1 4.19Å; W394-I397 HydrophobicContact CZ3-CD1 4.13Å; W394-I397 WeakPolarHBondContact O-CG1 3.45Å; W394-I397 PolarHBondContact O-N 3.33Å; W394-S398 WeakPolarHBondContact O-CB 3.17Å; W394-S398 PolarHBondContact O-N 2.88Å; W394-S398 PolarHBondContact O-OG 3.21Å
395K88.6Confident80.6Confident134 Ų13474.3 Ų74.358%0.58338%0.38SS*.Hα-helixtrans-57.9-28.3177.6-176178.5178.6-177.60112.2T391 L393 S398 Y399T391-K395 WeakPolarHBondContact O-CB 3.44Å; T391-K395 PolarHBondContact O-N 3.22Å; L393-K395 PolarHBondContact O-N 3.16Å; K395-S398 PolarHBondContact O-OG 3.14Å; K395-Y399 HydrophobicContact CG-CE2 4.17Å; K395-Y399 WeakPolarHBondContact O-CD2 3.37Å; K395-Y399 WeakPolarHBondContact O-CE2 3.32Å
396K85.9Confident80Confident69 Ų6977.3 Ų77.330%0.340%0.395SS..Hα-helixtrans-84.2-37.3178.4-17066-172.5-170.70112.4W240 P354 E356 I357 L392 L393 W394W240-K396 HydrophobicContact CE3-CG 4.38Å; W240-K396 HydrophobicContact CH2-CB 4.11Å; W240-K396 HydrophobicContact CH2-CG 4.04Å; W240-K396 HydrophobicContact CZ3-CB 3.88Å; W240-K396 HydrophobicContact CZ3-CG 3.49Å; W240-K396 VanDerWaalsContact CZ3-CG 3.49Å; P354-K396 HydrophobicContact CG-CD 4.41Å; P354-K396 HydrophobicContact CG-CG 4.36Å; E356-K396 IonicContact OE2-NZ 3.84Å; E356-K396 PolarHBondContact OE2-NZ 3Å; I357-K396 HydrophobicContact CD1-CB 4.16Å; I357-K396 HydrophobicContact CD1-CG 4.01Å; L392-K396 PolarHBondContact O-N 2.86Å; L393-K396 PolarHBondContact O-N 3.3Å; W394-K396 PolarHBondContact O-N 3.05Å; W394-K396 VanDerWaalsContact O-N 3.13Å
397I88.4Confident79.3Confident17 Ų1781.6 Ų81.69%0.08742%0.418CS..Hα-helixtrans-82-24.6-177.364.9176.6000113.4P241 A244 K245 I248 L393 W394 Y399 T400P241-I397 HydrophobicContact CB-CG2 4.12Å; P241-I397 WeakPolarHBondContact O-CG2 3.36Å; A244-I397 HydrophobicContact CB-CG2 3.66Å; K245-I397 HydrophobicContact CB-CD1 4.42Å; I248-I397 HydrophobicContact CD1-CD1 3.61Å; L393-I397 PolarHBondContact O-N 2.76Å; W394-I397 HydrophobicContact CE3-CD1 3.8Å; W394-I397 HydrophobicContact CE3-CG1 4.19Å; W394-I397 HydrophobicContact CZ3-CD1 4.13Å; W394-I397 WeakPolarHBondContact O-CG1 3.45Å; W394-I397 PolarHBondContact O-N 3.33Å; I397-Y399 PolarHBondContact O-N 3.2Å; I397-T400 WeakPolarHBondContact CA-OG1 3.37Å; I397-T400 PolarHBondContact O-N 2.77Å; I397-T400 VanDerWaalsContact O-N 3.13Å; I397-T400 PolarHBondContact O-OG1 2.64Å
398S79.4Confident78.5Confident62 Ų6282.3 Ų82.343%0.43442%0.42SS..THydrogen-bonded Turntrans-67.2-19179.563.60000114.2W394 K395W394-S398 WeakPolarHBondContact O-CB 3.17Å; W394-S398 PolarHBondContact O-N 2.88Å; W394-S398 PolarHBondContact O-OG 3.21Å; K395-S398 PolarHBondContact O-OG 3.14Å
399Y63.2Low77.4Confident183 Ų18383.4 Ų83.472%0.71843%0.425SS*.THydrogen-bonded Turntrans-93.7-2.5175.4-62.7-77.8000113.8K395 I397K395-Y399 HydrophobicContact CG-CE2 4.17Å; K395-Y399 WeakPolarHBondContact O-CD2 3.37Å; K395-Y399 WeakPolarHBondContact O-CE2 3.32Å; I397-Y399 PolarHBondContact O-N 3.2Å
400T61Low76.2Confident47 Ų4789.1 Ų89.129%0.28845%0.453SS..SBendtrans-100.4124.117435.40000109.1I397 D402I397-T400 WeakPolarHBondContact CA-OG1 3.37Å; I397-T400 PolarHBondContact O-N 2.77Å; I397-T400 VanDerWaalsContact O-N 3.13Å; I397-T400 PolarHBondContact O-OG1 2.64Å; T400-D402 PolarHBondContact O-N 2.96Å
401N49.4Very low74.8Confident172 Ų17293.2 Ų93.292%0.9248%0.476SS*.SBendtrans-64.519.1178.4-77-13.4000114.8
402D47.2Very low73.3Confident110 Ų11093.5 Ų93.559%0.58847%0.47SS*.  trans-105.118.6-177.4-70.9-27000112.3T400T400-D402 PolarHBondContact O-N 2.96Å
403S38.8Very low71.5Confident136 Ų13699 Ų9995%0.95150%0.497SS*.  trans-75.80178.259.40000113.2

Retrieved 403 of 403 residues in 727.6 ms (Link to these results)

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