A0A087X0C1_HUMAN Loading...

KIAA1755

AlphaFold DB , UniProt , Accession A0A087X0C1, Species HUMAN (Homo sapiens, Human), Gene KIAA1755, Length 732 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
1M56.9Low79.7Confident176 Ų17674.6 Ų74.687%0.86743%0.426SS*.  0133.80-82-58.6-177.300108.2L45M1-L45 HydrophobicContact CB-CD2 3.75Å; M1-L45 HydrophobicContact CG-CD2 3.95Å
2D70.9Confident80.6Confident116 Ų11680.2 Ų80.262%0.6245%0.445SS*.  trans-84.6151.7171.7-67.2-45.8000109.8P4 S5 L6D2-P4 HydrophobicContact CB-CG 4.38Å; D2-S5 PolarHBondContact N-OG 2.94Å; D2-S5 VanDerWaalsContact N-OG 3.11Å; D2-S5 PolarHBondContact O-N 3.46Å; D2-S5 VanDerWaalsContact O-N 3.11Å; D2-S5 PolarHBondContact O-OG 3.26Å; D2-L6 PolarHBondContact O-N 3.42Å; D2-L6 VanDerWaalsContact O-N 3.07Å
3P65.4Low81.4Confident66 Ų6674.8 Ų74.843%0.42942%0.417SS..Hα-helixtrans-49.9-48.8177.1-2734.5000114.7S5 L6 D7P3-S5 VanDerWaalsContact C-N 3.32Å; P3-S5 PolarHBondContact O-N 3.32Å; P3-L6 WeakPolarHBondContact O-CB 3.5Å; P3-L6 PolarHBondContact O-N 3.38Å; P3-L6 VanDerWaalsContact O-N 3.15Å; P3-D7 PolarHBondContact O-N 3.02Å
4P71.1Confident82.2Confident86 Ų8669.4 Ų69.456%0.55839%0.387SS*.Hα-helixtrans-68-25.1179.227.4-36.9000114.5D2 T8D2-P4 HydrophobicContact CB-CG 4.38Å; P4-T8 WeakPolarHBondContact O-CB 3.41Å; P4-T8 PolarHBondContact O-N 2.8Å; P4-T8 PolarHBondContact O-OG1 3.09Å
5S82.3Confident82.8Confident49 Ų4966.9 Ų66.934%0.34338%0.379SS..Hα-helixtrans-74.8-33.7173.4600000111.2D2 P3 A9D2-S5 PolarHBondContact N-OG 2.94Å; D2-S5 VanDerWaalsContact N-OG 3.11Å; D2-S5 PolarHBondContact O-N 3.46Å; D2-S5 VanDerWaalsContact O-N 3.11Å; D2-S5 PolarHBondContact O-OG 3.26Å; P3-S5 VanDerWaalsContact C-N 3.32Å; P3-S5 PolarHBondContact O-N 3.32Å; S5-A9 WeakPolarHBondContact O-CB 3.4Å; S5-A9 PolarHBondContact O-N 3.13Å
6L86.5Confident83.1Confident22 Ų2264.5 Ų64.512%0.11537%0.373CS..Hα-helixtrans-68.6-47.4174.4178.957.4000112D2 P3 T8 A9 I10 L45 L48D2-L6 PolarHBondContact O-N 3.42Å; D2-L6 VanDerWaalsContact O-N 3.07Å; P3-L6 WeakPolarHBondContact O-CB 3.5Å; P3-L6 PolarHBondContact O-N 3.38Å; P3-L6 VanDerWaalsContact O-N 3.15Å; L6-T8 PolarHBondContact O-N 2.62Å; L6-A9 PolarHBondContact O-N 2.81Å; L6-A9 VanDerWaalsContact O-N 3.13Å; L6-I10 HydrophobicContact CD1-CD1 4.02Å; L6-I10 HydrophobicContact CD1-CG1 4.31Å; L6-I10 HydrophobicContact CG-CD1 4.09Å; L6-I10 WeakPolarHBondContact O-CG1 3.25Å; L6-I10 PolarHBondContact O-N 3.09Å; L6-L45 HydrophobicContact CD1-CD2 3.77Å; L6-L45 HydrophobicContact CD1-CG 4.47Å; L6-L45 HydrophobicContact CD2-CD2 3.88Å; L6-L45 HydrophobicContact CD2-CG 3.84Å; L6-L45 HydrophobicContact CG-CD2 4.35Å; L6-L48 HydrophobicContact CD1-CB 4.17Å; L6-L48 HydrophobicContact CD1-CD2 3.64Å
7D85.1Confident83.4Confident71 Ų7160.7 Ų60.738%0.3835%0.351SS..Hα-helixtrans-56.1-42.5175.6-67.7-28.9000111.2P3 Q11P3-D7 PolarHBondContact O-N 3.02Å; D7-Q11 WeakPolarHBondContact O-CG 3.31Å; D7-Q11 PolarHBondContact O-N 2.98Å
8T88.3Confident83.8Confident92 Ų9257.3 Ų57.356%0.56433%0.332SS*.Hα-helixtrans-66.3-43.1176.4-56.40000112.1P4 L6 Q11 H12P4-T8 WeakPolarHBondContact O-CB 3.41Å; P4-T8 PolarHBondContact O-N 2.8Å; P4-T8 PolarHBondContact O-OG1 3.09Å; L6-T8 PolarHBondContact O-N 2.62Å; T8-Q11 PolarHBondContact O-N 2.68Å; T8-H12 VanDerWaalsContact O-CB 3.29Å; T8-H12 WeakPolarHBondContact O-CB 3.32Å; T8-H12 PolarHBondContact O-N 3.1Å
9A89.3Confident84.1Confident38 Ų3855.7 Ų55.731%0.31432%0.323SS..Hα-helixtrans-63.7-41.9178.400000112.3S5 L6 H12 A13 L48S5-A9 WeakPolarHBondContact O-CB 3.4Å; S5-A9 PolarHBondContact O-N 3.13Å; L6-A9 PolarHBondContact O-N 2.81Å; L6-A9 VanDerWaalsContact O-N 3.13Å; A9-H12 PolarHBondContact O-N 3.1Å; A9-A13 WeakPolarHBondContact O-CB 3.37Å; A9-A13 PolarHBondContact O-N 2.94Å; A9-L48 HydrophobicContact CB-CD2 4.08Å
10I90.3Very high84.4Confident13 Ų1355.3 Ų55.37%0.06732%0.322CS..Hα-helixtrans-62.6-50.8174.8-69.6168.1000110.1L6 H12 A13 L14 V32 F47 L48 L52L6-I10 HydrophobicContact CD1-CD1 4.02Å; L6-I10 HydrophobicContact CD1-CG1 4.31Å; L6-I10 HydrophobicContact CG-CD1 4.09Å; L6-I10 WeakPolarHBondContact O-CG1 3.25Å; L6-I10 PolarHBondContact O-N 3.09Å; I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 3.35Å; I10-A13 PolarHBondContact O-N 3.28Å; I10-L14 HydrophobicContact CG2-CD1 3.81Å; I10-L14 HydrophobicContact CG2-CG 4.43Å; I10-L14 VanDerWaalsContact O-CG 3.25Å; I10-L14 WeakPolarHBondContact O-CG 3.5Å; I10-L14 PolarHBondContact O-N 3.08Å; I10-V32 HydrophobicContact CG2-CG1 4.38Å; I10-F47 HydrophobicContact CD1-CD1 4.13Å; I10-F47 HydrophobicContact CD1-CE1 4.4Å; I10-F47 HydrophobicContact CG2-CE1 4.31Å; I10-L48 HydrophobicContact CG1-CB 4.46Å; I10-L48 HydrophobicContact CG1-CD1 4.22Å; I10-L52 HydrophobicContact CB-CD2 4.31Å; I10-L52 HydrophobicContact CG1-CD2 4.22Å; I10-L52 HydrophobicContact CG2-CD2 3.97Å
11Q91Very high84.7Confident92 Ų9254.7 Ų54.743%0.4332%0.316SS..Hα-helixtrans-60.2-40.8178.6-72.917342.700112.5D7 T8 L14 A15 F21 L29D7-Q11 WeakPolarHBondContact O-CG 3.31Å; D7-Q11 PolarHBondContact O-N 2.98Å; T8-Q11 PolarHBondContact O-N 2.68Å; Q11-L14 PolarHBondContact O-N 3.34Å; Q11-A15 VanDerWaalsContact O-CB 3.29Å; Q11-A15 WeakPolarHBondContact O-CB 3.36Å; Q11-A15 PolarHBondContact O-N 3.18Å; Q11-F21 HydrophobicContact CB-CE1 4.32Å; Q11-F21 HydrophobicContact CB-CZ 4.39Å; Q11-F21 HydrophobicContact CG-CZ 4.44Å; Q11-L29 HydrophobicContact CG-CD2 4.35Å
12H90.4Very high86.2Confident141 Ų14155.2 Ų55.265%0.65332%0.316SS*.Hα-helixtrans-65-39.7176.8-174.8-98.3000112.7T8 A9 I10 G16T8-H12 VanDerWaalsContact O-CB 3.29Å; T8-H12 WeakPolarHBondContact O-CB 3.32Å; T8-H12 PolarHBondContact O-N 3.1Å; A9-H12 PolarHBondContact O-N 3.1Å; I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 3.35Å; H12-G16 PolarHBondContact O-N 2.94Å
13A91.2Very high87Confident10 Ų1051.4 Ų51.48%0.08330%0.301CS..Hα-helixtrans-64.2-43174.900000112A9 I10 G16 L17 L52 K56A9-A13 WeakPolarHBondContact O-CB 3.37Å; A9-A13 PolarHBondContact O-N 2.94Å; I10-A13 PolarHBondContact O-N 3.28Å; A13-G16 PolarHBondContact O-N 3.14Å; A13-L17 PolarHBondContact O-N 3.23Å; A13-L52 HydrophobicContact CB-CD2 4Å; A13-L52 HydrophobicContact CB-CG 4.24Å; A13-K56 HydrophobicContact CB-CD 4.32Å
14L92Very high88.2Confident0 Ų048.3 Ų48.30%028%0.281CS..Hα-helixtrans-69-38.4178.2-61.4169.1000112.5I10 Q11 G16 L17 Y18 F21 V28 L29 V32 L52 L92I10-L14 HydrophobicContact CG2-CD1 3.81Å; I10-L14 HydrophobicContact CG2-CG 4.43Å; I10-L14 VanDerWaalsContact O-CG 3.25Å; I10-L14 WeakPolarHBondContact O-CG 3.5Å; I10-L14 PolarHBondContact O-N 3.08Å; Q11-L14 PolarHBondContact O-N 3.34Å; L14-G16 VanDerWaalsContact C-N 3.31Å; L14-G16 PolarHBondContact O-N 2.89Å; L14-L17 PolarHBondContact O-N 3.04Å; L14-L17 VanDerWaalsContact O-N 3.1Å; L14-Y18 PolarHBondContact O-N 2.84Å; L14-F21 HydrophobicContact CB-CE2 3.73Å; L14-F21 HydrophobicContact CB-CZ 4.28Å; L14-V28 HydrophobicContact CB-CG1 4.3Å; L14-V28 HydrophobicContact CD1-CG1 4.19Å; L14-V28 HydrophobicContact CD2-CG1 3.71Å; L14-V28 HydrophobicContact CG-CG1 4.27Å; L14-L29 HydrophobicContact CD1-CD2 3.75Å; L14-V32 HydrophobicContact CD1-CG2 3.94Å; L14-V32 HydrophobicContact CD2-CG2 4.06Å; L14-L52 HydrophobicContact CD2-CD1 3.72Å; L14-L52 HydrophobicContact CD2-CD2 4.36Å; L14-L52 HydrophobicContact CG-CD2 4.42Å; L14-L92 HydrophobicContact CD2-CD1 3.53Å
15A90.7Very high89.2Confident32 Ų3244.9 Ų44.926%0.26426%0.26SS..Hα-helixtrans-64-34.9177.600000112.7Q11 L17 F21Q11-A15 VanDerWaalsContact O-CB 3.29Å; Q11-A15 WeakPolarHBondContact O-CB 3.36Å; Q11-A15 PolarHBondContact O-N 3.18Å; A15-L17 VanDerWaalsContact C-N 3.28Å; A15-L17 PolarHBondContact O-N 2.75Å; A15-F21 HydrophobicContact CB-CB 3.77Å; A15-F21 HydrophobicContact CB-CD1 3.91Å; A15-F21 HydrophobicContact CB-CD2 4.02Å; A15-F21 HydrophobicContact CB-CG 3.63Å
16G88.1Confident89.5Confident28 Ų2845.9 Ų45.929%0.28927%0.265SS..Hα-helixtrans-71.4-18.8173.100000114.5H12 A13 L14 R63H12-G16 PolarHBondContact O-N 2.94Å; A13-G16 PolarHBondContact O-N 3.14Å; L14-G16 VanDerWaalsContact C-N 3.31Å; L14-G16 PolarHBondContact O-N 2.89Å; G16-R63 PolarHBondContact O-NH1 3.44Å; G16-R63 PolarHBondContact O-NH2 2.95Å; G16-R63 VanDerWaalsContact O-NH2 3.13Å
17L88.6Confident89.7Confident0 Ų045.7 Ų45.70%027%0.265CS..Hα-helixtrans-91.5-44.9177.3-73.9176.3000113.1A13 L14 A15 P19 K56 C59 E60 R63 L82A13-L17 PolarHBondContact O-N 3.23Å; L14-L17 PolarHBondContact O-N 3.04Å; L14-L17 VanDerWaalsContact O-N 3.1Å; A15-L17 VanDerWaalsContact C-N 3.28Å; A15-L17 PolarHBondContact O-N 2.75Å; L17-P19 VanDerWaalsContact O-CD 3.25Å; L17-P19 WeakPolarHBondContact O-CD 3.4Å; L17-K56 HydrophobicContact CD1-CB 4.06Å; L17-K56 HydrophobicContact CD1-CG 4.29Å; L17-K56 HydrophobicContact CD2-CB 4.43Å; L17-K56 HydrophobicContact CD2-CG 4.01Å; L17-K56 HydrophobicContact CG-CB 4.41Å; L17-K56 HydrophobicContact CG-CG 4.1Å; L17-C59 HydrophobicContact CD2-CB 3.58Å; L17-E60 HydrophobicContact CD2-CG 4.03Å; L17-R63 PolarHBondContact O-NH1 2.95Å; L17-L82 HydrophobicContact CD2-CD1 4.14Å
18Y91.1Very high90.1Very high0 Ų042.3 Ų42.30%025%0.247CC..SBendtrans-119.757.6-170.1-57.3-79.6000113.9L14 P20 T24 V28 L82 C83 V88 V90 L92L14-Y18 PolarHBondContact O-N 2.84Å; Y18-P20 CarbonylContact O-C 3.44Å; Y18-T24 WeakPolarHBondContact O-CG2 3.35Å; Y18-T24 PolarHBondContact O-OG1 2.88Å; Y18-V28 HydrophobicContact CD1-CG2 4.41Å; Y18-V28 HydrophobicContact CD2-CG1 3.84Å; Y18-V28 HydrophobicContact CD2-CG2 3.89Å; Y18-V28 HydrophobicContact CE2-CG1 3.94Å; Y18-V28 HydrophobicContact CE2-CG2 4.3Å; Y18-V28 HydrophobicContact CG-CG2 3.93Å; Y18-L82 HydrophobicContact CD1-CB 4.27Å; Y18-L82 HydrophobicContact CE1-CB 4.17Å; Y18-C83 VanDerWaalsContact CA-SG 3.58Å; Y18-C83 HydrophobicContact CD1-CB 4.09Å; Y18-V88 HydrophobicContact CD1-CG1 4.2Å; Y18-V88 HydrophobicContact CE1-CG1 3.75Å; Y18-V90 WeakPolarHBondContact CE1-O 3.3Å; Y18-V90 PolarHBondContact OH-O 3.37Å; Y18-L92 HydrophobicContact CE2-CD1 4.3Å; Y18-L92 HydrophobicContact CE2-CG 4.37Å
19P89.6Confident90.2Very high26 Ų2639.9 Ų39.917%0.16923%0.23CC..SBendtrans-73.8142.3174.830.2-32.5000112L17 E78 G79L17-P19 VanDerWaalsContact O-CD 3.25Å; L17-P19 WeakPolarHBondContact O-CD 3.4Å; P19-E78 HydrophobicContact CB-CB 3.95Å; P19-E78 HydrophobicContact CG-CB 3.99Å; P19-G79 WeakPolarHBondContact O-CA 3.4Å; P19-G79 PolarHBondContact O-N 2.94Å
20P89.6Confident90.2Very high47 Ų4739.6 Ų39.631%0.30523%0.232SC..SBendcis-80.61220.931.2-34000112.6Y18 E22 A23 T24Y18-P20 CarbonylContact O-C 3.44Å; P20-E22 VanDerWaalsContact C-N 3.28Å; P20-E22 PolarHBondContact O-N 2.84Å; P20-A23 HydrophobicContact CG-CB 4.33Å; P20-A23 PolarHBondContact O-N 3.41Å; P20-A23 VanDerWaalsContact O-N 3.07Å; P20-T24 PolarHBondContact O-N 3.08Å
21F89.9Confident90.2Very high44 Ų4439.2 Ų39.219%0.19323%0.229CC..Hα-helixtrans-62.5-30.7-171.3-171.6-119.3000114Q11 L14 A15 A23 T24 A25 L29Q11-F21 HydrophobicContact CB-CE1 4.32Å; Q11-F21 HydrophobicContact CB-CZ 4.39Å; Q11-F21 HydrophobicContact CG-CZ 4.44Å; L14-F21 HydrophobicContact CB-CE2 3.73Å; L14-F21 HydrophobicContact CB-CZ 4.28Å; A15-F21 HydrophobicContact CB-CB 3.77Å; A15-F21 HydrophobicContact CB-CD1 3.91Å; A15-F21 HydrophobicContact CB-CD2 4.02Å; A15-F21 HydrophobicContact CB-CG 3.63Å; F21-A23 PolarHBondContact O-N 2.69Å; F21-A23 VanDerWaalsContact O-N 3.14Å; F21-T24 PolarHBondContact O-N 2.7Å; F21-A25 HydrophobicContact CD1-CB 4.22Å; F21-A25 HydrophobicContact CD2-CB 4.11Å; F21-A25 HydrophobicContact CE1-CB 3.95Å; F21-A25 HydrophobicContact CE2-CB 3.83Å; F21-A25 HydrophobicContact CG-CB 4.31Å; F21-A25 HydrophobicContact CZ-CB 3.75Å; F21-A25 WeakPolarHBondContact O-CB 3.42Å; F21-A25 PolarHBondContact O-N 2.77Å; F21-L29 HydrophobicContact CZ-CD2 4.43Å; F21-L29 HydrophobicContact CZ-CG 4.48Å
22E88.8Confident90.3Very high186 Ų18635 Ų3587%0.86921%0.21SC*.Hα-helixtrans-54.6-32.9176.1-164.576.9-178.700112.3P20P20-E22 VanDerWaalsContact C-N 3.28Å; P20-E22 PolarHBondContact O-N 2.84Å
23A87.8Confident90.2Very high37 Ų3733.4 Ų33.431%0.30620%0.201SC..Hα-helixtrans-93.1-35.3-179.300000113.2P20 F21 D86P20-A23 HydrophobicContact CG-CB 4.33Å; P20-A23 PolarHBondContact O-N 3.41Å; P20-A23 VanDerWaalsContact O-N 3.07Å; F21-A23 PolarHBondContact O-N 2.69Å; F21-A23 VanDerWaalsContact O-N 3.14Å; A23-D86 HydrophobicContact CB-CB 4.13Å
24T91.3Very high90Very high0 Ų038.3 Ų38.30%022%0.218CC..Hα-helixtrans-85.1-24.4-177.764.60000113.2Y18 P20 F21 P26 T27 V28 C83 R85Y18-T24 WeakPolarHBondContact O-CG2 3.35Å; Y18-T24 PolarHBondContact O-OG1 2.88Å; P20-T24 PolarHBondContact O-N 3.08Å; F21-T24 PolarHBondContact O-N 2.7Å; T24-P26 VanDerWaalsContact C-CD 3.46Å; T24-T27 WeakPolarHBondContact O-CB 3.19Å; T24-T27 PolarHBondContact O-N 2.73Å; T24-T27 VanDerWaalsContact O-N 3.09Å; T24-V28 WeakPolarHBondContact O-CG2 3.39Å; T24-V28 PolarHBondContact O-N 3.31Å; T24-C83 HydrophobicContact CG2-CB 4.3Å; T24-R85 WeakPolarHBondContact CG2-O 3.26Å
25A91Very high89.8Confident14 Ų1439.1 Ų39.112%0.11622%0.222CC..Hα-helixtrans-53.8-41.9-174.800000115.1F21 T27 V28 L29F21-A25 HydrophobicContact CD1-CB 4.22Å; F21-A25 HydrophobicContact CD2-CB 4.11Å; F21-A25 HydrophobicContact CE1-CB 3.95Å; F21-A25 HydrophobicContact CE2-CB 3.83Å; F21-A25 HydrophobicContact CG-CB 4.31Å; F21-A25 HydrophobicContact CZ-CB 3.75Å; F21-A25 WeakPolarHBondContact O-CB 3.42Å; F21-A25 PolarHBondContact O-N 2.77Å; A25-T27 VanDerWaalsContact C-N 3.29Å; A25-T27 PolarHBondContact O-N 3.42Å; A25-V28 PolarHBondContact O-N 2.84Å; A25-L29 HydrophobicContact CB-CD1 4.07Å; A25-L29 HydrophobicContact CB-CG 4.46Å; A25-L29 WeakPolarHBondContact O-CB 3.37Å; A25-L29 VanDerWaalsContact O-CG 3.25Å; A25-L29 WeakPolarHBondContact O-CG 3.4Å; A25-L29 PolarHBondContact O-N 3.47Å
26P89Confident89.7Confident70 Ų7038.7 Ų38.746%0.45522%0.215SC..Hα-helixtrans-56.9-43.5176.8-24.635000112.3T24 G30T24-P26 VanDerWaalsContact C-CD 3.46Å; P26-G30 PolarHBondContact O-N 3.22Å
27T91Very high89.4Confident18 Ų1843.7 Ų43.711%0.1124%0.235CC..Hα-helixtrans-71.2-51.4178.1-50.70000111.5T24 A25 G30 Q31 V88 A168T24-T27 WeakPolarHBondContact O-CB 3.19Å; T24-T27 PolarHBondContact O-N 2.73Å; T24-T27 VanDerWaalsContact O-N 3.09Å; A25-T27 VanDerWaalsContact C-N 3.29Å; A25-T27 PolarHBondContact O-N 3.42Å; T27-G30 PolarHBondContact O-N 3.14Å; T27-Q31 WeakPolarHBondContact O-CG 3.26Å; T27-Q31 PolarHBondContact O-N 3.41Å; T27-V88 HydrophobicContact CG2-CB 4.27Å; T27-V88 HydrophobicContact CG2-CG2 3.82Å; T27-A168 HydrophobicContact CG2-CB 3.59Å; T27-A168 WeakPolarHBondContact CG2-O 3.44Å
28V92.8Very high89Confident0 Ų048.2 Ų48.20%027%0.267CS..Hα-helixtrans-72.4-41.7-171.2-1800000111.4L14 Y18 T24 A25 G30 Q31 V32 V88 L92L14-V28 HydrophobicContact CB-CG1 4.3Å; L14-V28 HydrophobicContact CD1-CG1 4.19Å; L14-V28 HydrophobicContact CD2-CG1 3.71Å; L14-V28 HydrophobicContact CG-CG1 4.27Å; Y18-V28 HydrophobicContact CD1-CG2 4.41Å; Y18-V28 HydrophobicContact CD2-CG1 3.84Å; Y18-V28 HydrophobicContact CD2-CG2 3.89Å; Y18-V28 HydrophobicContact CE2-CG1 3.94Å; Y18-V28 HydrophobicContact CE2-CG2 4.3Å; Y18-V28 HydrophobicContact CG-CG2 3.93Å; T24-V28 WeakPolarHBondContact O-CG2 3.39Å; T24-V28 PolarHBondContact O-N 3.31Å; A25-V28 PolarHBondContact O-N 2.84Å; V28-G30 VanDerWaalsContact C-N 3.3Å; V28-G30 PolarHBondContact O-N 3.04Å; V28-Q31 WeakPolarHBondContact O-CB 3.39Å; V28-Q31 PolarHBondContact O-N 3.26Å; V28-Q31 VanDerWaalsContact O-N 3.1Å; V28-V32 WeakPolarHBondContact O-CG2 3.45Å; V28-V32 PolarHBondContact O-N 2.96Å; V28-V88 HydrophobicContact CG2-CG2 3.64Å; V28-L92 HydrophobicContact CG1-CD1 4.26Å
29L91.2Very high88.2Confident41 Ų4150.6 Ų50.622%0.21529%0.292CS..Hα-helixtrans-65-37.2173.3-62.7172.3000111Q11 L14 F21 A25 Q31 V32 F33Q11-L29 HydrophobicContact CG-CD2 4.35Å; L14-L29 HydrophobicContact CD1-CD2 3.75Å; F21-L29 HydrophobicContact CZ-CD2 4.43Å; F21-L29 HydrophobicContact CZ-CG 4.48Å; A25-L29 HydrophobicContact CB-CD1 4.07Å; A25-L29 HydrophobicContact CB-CG 4.46Å; A25-L29 WeakPolarHBondContact O-CB 3.37Å; A25-L29 VanDerWaalsContact O-CG 3.25Å; A25-L29 WeakPolarHBondContact O-CG 3.4Å; A25-L29 PolarHBondContact O-N 3.47Å; L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 2.85Å; L29-V32 PolarHBondContact O-N 3.23Å; L29-V32 VanDerWaalsContact O-N 3.15Å; L29-F33 HydrophobicContact CB-CD2 4.47Å; L29-F33 HydrophobicContact CB-CE2 4.08Å; L29-F33 WeakPolarHBondContact O-CD2 3.34Å; L29-F33 PolarHBondContact O-N 3.5Å
30G88.7Confident87.9Confident33 Ų3351.3 Ų51.334%0.3429%0.292SS..Hα-helixtrans-61.3-30.9171.300000113.7P26 T27 V28 R34P26-G30 PolarHBondContact O-N 3.22Å; T27-G30 PolarHBondContact O-N 3.14Å; V28-G30 VanDerWaalsContact C-N 3.3Å; V28-G30 PolarHBondContact O-N 3.04Å; G30-R34 WeakPolarHBondContact O-CG 3.39Å; G30-R34 PolarHBondContact O-NE 2.84Å
31Q91.6Very high87.4Confident5 Ų558.3 Ų58.32%0.02332%0.321CS..Hα-helixtrans-70.5-47.5169.2-69.9179.842.700111.4T27 V28 L29 R34 L35 H91 A93T27-Q31 WeakPolarHBondContact O-CG 3.26Å; T27-Q31 PolarHBondContact O-N 3.41Å; V28-Q31 WeakPolarHBondContact O-CB 3.39Å; V28-Q31 PolarHBondContact O-N 3.26Å; V28-Q31 VanDerWaalsContact O-N 3.1Å; L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 2.85Å; Q31-R34 PolarHBondContact O-N 3.19Å; Q31-L35 PolarHBondContact O-N 3.05Å; Q31-H91 PolarHBondContact NE2-ND1 3.2Å; Q31-A93 HydrophobicContact CB-CB 3.59Å; Q31-A93 HydrophobicContact CG-CB 4.06Å; Q31-A93 VanDerWaalsContact O-CB 3.31Å; Q31-A93 WeakPolarHBondContact O-CB 3.33Å
32V91.8Very high86.9Confident4 Ų458.4 Ų58.42%0.02434%0.335CS..Hα-helixtrans-62.4-43.9-177.9167.90000113.1I10 L14 V28 L29 R34 L35 L36 F47 L92I10-V32 HydrophobicContact CG2-CG1 4.38Å; L14-V32 HydrophobicContact CD1-CG2 3.94Å; L14-V32 HydrophobicContact CD2-CG2 4.06Å; V28-V32 WeakPolarHBondContact O-CG2 3.45Å; V28-V32 PolarHBondContact O-N 2.96Å; L29-V32 PolarHBondContact O-N 3.23Å; L29-V32 VanDerWaalsContact O-N 3.15Å; V32-R34 VanDerWaalsContact C-N 3.27Å; V32-R34 PolarHBondContact O-N 3.15Å; V32-L35 PolarHBondContact O-N 2.76Å; V32-L35 VanDerWaalsContact O-N 3.14Å; V32-L36 HydrophobicContact CG1-CD1 3.8Å; V32-L36 HydrophobicContact CG1-CG 4.31Å; V32-L36 WeakPolarHBondContact O-CG 3.37Å; V32-L36 PolarHBondContact O-N 2.94Å; V32-F47 HydrophobicContact CB-CZ 4.19Å; V32-F47 HydrophobicContact CG1-CD1 4.4Å; V32-F47 HydrophobicContact CG1-CE1 3.52Å; V32-F47 HydrophobicContact CG1-CE2 4.43Å; V32-F47 HydrophobicContact CG1-CZ 3.57Å; V32-F47 HydrophobicContact CG2-CE1 4.39Å; V32-F47 HydrophobicContact CG2-CZ 3.81Å; V32-L92 HydrophobicContact CG2-CD1 3.91Å
33F88.4Confident86.8Confident106 Ų10653.4 Ų53.447%0.46531%0.314SS..Hα-helixtrans-59.4-38.3176.2-69.9-57.1000112.3L29 L35 L36 D37L29-F33 HydrophobicContact CB-CD2 4.47Å; L29-F33 HydrophobicContact CB-CE2 4.08Å; L29-F33 WeakPolarHBondContact O-CD2 3.34Å; L29-F33 PolarHBondContact O-N 3.5Å; F33-L35 PolarHBondContact O-N 3.4Å; F33-L36 HydrophobicContact CD1-CD1 4.37Å; F33-L36 PolarHBondContact O-N 3.31Å; F33-D37 WeakPolarHBondContact O-CB 3.44Å; F33-D37 PolarHBondContact O-N 3.47Å
34R87.8Confident86.7Confident113 Ų11352.2 Ų52.243%0.42631%0.305SS..Hα-helixtrans-65.1-39176.5-65.5-179-53.8152.118.1112G30 Q31 V32 S38 P94G30-R34 WeakPolarHBondContact O-CG 3.39Å; G30-R34 PolarHBondContact O-NE 2.84Å; Q31-R34 PolarHBondContact O-N 3.19Å; V32-R34 VanDerWaalsContact C-N 3.27Å; V32-R34 PolarHBondContact O-N 3.15Å; R34-S38 VanDerWaalsContact O-CB 3.24Å; R34-S38 WeakPolarHBondContact O-CB 3.47Å; R34-S38 PolarHBondContact O-N 3.31Å; R34-S38 PolarHBondContact O-OG 3.17Å; R34-P94 PolarHBondContact NH1-O 3.04Å; R34-P94 PolarHBondContact NH2-O 3.44Å
35L88Confident86.5Confident17 Ų1755.4 Ų55.49%0.08932%0.322CS..Hα-helixtrans-67.7-42.3175.3-69.7168.9000112.5Q31 V32 F33 D37 S38 G39 F40 F47 F51 L92 A93Q31-L35 PolarHBondContact O-N 3.05Å; V32-L35 PolarHBondContact O-N 2.76Å; V32-L35 VanDerWaalsContact O-N 3.14Å; F33-L35 PolarHBondContact O-N 3.4Å; L35-D37 VanDerWaalsContact C-N 3.34Å; L35-D37 PolarHBondContact O-N 3.15Å; L35-S38 PolarHBondContact O-N 2.95Å; L35-G39 WeakPolarHBondContact O-CA 3.48Å; L35-G39 PolarHBondContact O-N 3.06Å; L35-F40 PolarHBondContact O-N 2.86Å; L35-F47 HydrophobicContact CB-CD2 4.4Å; L35-F47 HydrophobicContact CB-CE2 4.05Å; L35-F47 HydrophobicContact CD1-CE2 3.92Å; L35-F51 HydrophobicContact CD1-CD1 4.49Å; L35-F51 HydrophobicContact CD1-CE1 3.72Å; L35-F51 HydrophobicContact CD1-CZ 4.12Å; L35-L92 HydrophobicContact CD1-CB 3.88Å; L35-L92 WeakPolarHBondContact CD1-O 3.46Å; L35-A93 HydrophobicContact CD1-CB 4.03Å; L35-A93 HydrophobicContact CD2-CB 4.07Å; L35-A93 HydrophobicContact CG-CB 3.71Å
36L87.2Confident86.3Confident23 Ų2357 Ų5712%0.1233%0.332CS..Hα-helixtrans-58.3-48.3175.9-74.9165.9000110.6V32 F33 F40 Q41 G42 F47V32-L36 HydrophobicContact CG1-CD1 3.8Å; V32-L36 HydrophobicContact CG1-CG 4.31Å; V32-L36 WeakPolarHBondContact O-CG 3.37Å; V32-L36 PolarHBondContact O-N 2.94Å; F33-L36 HydrophobicContact CD1-CD1 4.37Å; F33-L36 PolarHBondContact O-N 3.31Å; L36-F40 CarbonylContact O-C 3.45Å; L36-F40 PolarHBondContact O-N 2.78Å; L36-Q41 PolarHBondContact O-N 2.96Å; L36-G42 PolarHBondContact O-N 2.91Å; L36-F47 HydrophobicContact CD2-CB 3.47Å; L36-F47 VanDerWaalsContact CD2-CB 3.47Å; L36-F47 HydrophobicContact CD2-CD1 3.85Å; L36-F47 HydrophobicContact CD2-CD2 4.3Å; L36-F47 HydrophobicContact CD2-CG 3.59Å; L36-F47 HydrophobicContact CG-CD1 4.3Å; L36-F47 HydrophobicContact CG-CG 4.17Å
37D83.1Confident86.3Confident133 Ų13353.7 Ų53.771%0.71131%0.311SS*.Hα-helixtrans-67.6-39.6178.2-73.7-19.5000113F33 L35F33-D37 WeakPolarHBondContact O-CB 3.44Å; F33-D37 PolarHBondContact O-N 3.47Å; L35-D37 VanDerWaalsContact C-N 3.34Å; L35-D37 PolarHBondContact O-N 3.15Å
38S78.4Confident86.3Confident95 Ų9553.8 Ų53.866%0.66431%0.311SS*.Hα-helixtrans-94.4-29.1-171780000115.8R34 L35R34-S38 VanDerWaalsContact O-CB 3.24Å; R34-S38 WeakPolarHBondContact O-CB 3.47Å; R34-S38 PolarHBondContact O-N 3.31Å; R34-S38 PolarHBondContact O-OG 3.17Å; L35-S38 PolarHBondContact O-N 2.95Å
39G75.6Confident86Confident51 Ų5158.7 Ų58.753%0.52634%0.336SS..Hα-helixtrans-114.6-32.8-172.800000114.2L35L35-G39 WeakPolarHBondContact O-CA 3.48Å; L35-G39 PolarHBondContact O-N 3.06Å
40F82.6Confident85.8Confident40 Ų4058.8 Ų58.818%0.17534%0.337CS..SBendtrans-115.66-172-64.2-86.7000114.1L35 L36 G42 D43 F47 D50 F51L35-F40 PolarHBondContact O-N 2.86Å; L36-F40 CarbonylContact O-C 3.45Å; L36-F40 PolarHBondContact O-N 2.78Å; F40-G42 PolarHBondContact O-N 2.78Å; F40-D43 WeakPolarHBondContact O-CB 3.41Å; F40-D43 PolarHBondContact O-N 2.84Å; F40-F47 HydrophobicContact CB-CB 4.2Å; F40-F47 HydrophobicContact CD1-CB 4.1Å; F40-F47 HydrophobicContact CD2-CB 3.99Å; F40-F47 AromaticContact CD2-CD2 3.74Å; F40-F47 HydrophobicContact CD2-CD2 3.74Å; F40-F47 HydrophobicContact CD2-CG 4.35Å; F40-F47 HydrophobicContact CE2-CB 4.45Å; F40-F47 AromaticContact CE2-CD2 3.78Å; F40-F47 HydrophobicContact CE2-CD2 3.78Å; F40-F47 HydrophobicContact CG-CB 3.81Å; F40-F47 HydrophobicContact CG-CD2 4.43Å; F40-F47 HydrophobicContact CZ-CD2 4.47Å; F40-D50 HydrophobicContact CE1-CB 4.39Å; F40-F51 HydrophobicContact CE2-CB 4.25Å; F40-F51 HydrophobicContact CZ-CB 3.69Å; F40-F51 HydrophobicContact CZ-CG 4.45Å
41Q79.4Confident85.9Confident194 Ų19457.2 Ų57.291%0.90732%0.321SS*.THydrogen-bonded Turntrans54.524179.4-50.4-175.530.300114.4L36L36-Q41 PolarHBondContact O-N 2.96Å
42G80.6Confident85.9Confident47 Ų4757 Ų5749%0.48532%0.32SS..THydrogen-bonded Turntrans87.92.7-174.100000115.8L36 F40 G44L36-G42 PolarHBondContact O-N 2.91Å; F40-G42 PolarHBondContact O-N 2.78Å; G42-G44 PolarHBondContact O-N 3.26Å
43D86.1Confident85.9Confident80 Ų8059.7 Ų59.743%0.42833%0.333SS..  trans-77.399.4174-162.9-43.1000111.4F40 L45 S46 F47F40-D43 WeakPolarHBondContact O-CB 3.41Å; F40-D43 PolarHBondContact O-N 2.84Å; D43-L45 VanDerWaalsContact C-N 3.29Å; D43-L45 PolarHBondContact O-N 3.14Å; D43-L45 WeakPolarHBondContact OD1-CA 3.39Å; D43-L45 WeakPolarHBondContact OD1-CB 3.48Å; D43-L45 PolarHBondContact OD1-N 2.71Å; D43-S46 PolarHBondContact OD1-N 3.01Å; D43-F47 WeakPolarHBondContact O-CB 3.43Å; D43-F47 PolarHBondContact O-N 2.9Å; D43-F47 VanDerWaalsContact O-N 3.11Å
44G85.8Confident86.1Confident13 Ų1355.7 Ų55.713%0.13432%0.318CS..Hα-helixtrans-69.4-20.3176.600000114.8G42 L48G42-G44 PolarHBondContact O-N 3.26Å; G44-L48 VanDerWaalsContact O-CB 3.28Å; G44-L48 WeakPolarHBondContact O-CB 3.24Å; G44-L48 PolarHBondContact O-N 3.46Å
45L87.1Confident86.3Confident67 Ų6750.3 Ų50.335%0.35130%0.298SS..Hα-helixtrans-79-47.5179.5-70169.5000110.7M1 L6 D43 F47 L48 L49M1-L45 HydrophobicContact CB-CD2 3.75Å; M1-L45 HydrophobicContact CG-CD2 3.95Å; L6-L45 HydrophobicContact CD1-CD2 3.77Å; L6-L45 HydrophobicContact CD1-CG 4.47Å; L6-L45 HydrophobicContact CD2-CD2 3.88Å; L6-L45 HydrophobicContact CD2-CG 3.84Å; L6-L45 HydrophobicContact CG-CD2 4.35Å; D43-L45 VanDerWaalsContact C-N 3.29Å; D43-L45 PolarHBondContact O-N 3.14Å; D43-L45 WeakPolarHBondContact OD1-CA 3.39Å; D43-L45 WeakPolarHBondContact OD1-CB 3.48Å; D43-L45 PolarHBondContact OD1-N 2.71Å; L45-F47 VanDerWaalsContact C-N 3.35Å; L45-L48 PolarHBondContact O-N 3.07Å; L45-L49 WeakPolarHBondContact O-CB 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 3.49Å
46S86.4Confident86.5Confident47 Ų4752 Ų5233%0.32930%0.304SS..Hα-helixtrans-62.3-43171.2-1000000111.3D43 L48 L49 D50D43-S46 PolarHBondContact OD1-N 3.01Å; S46-L48 VanDerWaalsContact C-N 3.29Å; S46-L48 PolarHBondContact O-N 3.37Å; S46-L49 PolarHBondContact O-N 3.1Å; S46-D50 WeakPolarHBondContact CA-OD2 3.49Å; S46-D50 WeakPolarHBondContact CB-OD2 3.4Å; S46-D50 WeakPolarHBondContact O-CA 3.35Å; S46-D50 VanDerWaalsContact O-CB 3.23Å; S46-D50 WeakPolarHBondContact O-CB 3.48Å; S46-D50 PolarHBondContact O-N 3.36Å; S46-D50 PolarHBondContact OG-OD2 2.89Å
47F89.8Confident86.7Confident0 Ų059.4 Ų59.40%033%0.331CS..Iπ-helixtrans-56.9-40173.1170.2-99.7000113.3I10 V32 L35 L36 F40 D43 L45 F51 L52I10-F47 HydrophobicContact CD1-CD1 4.13Å; I10-F47 HydrophobicContact CD1-CE1 4.4Å; I10-F47 HydrophobicContact CG2-CE1 4.31Å; V32-F47 HydrophobicContact CB-CZ 4.19Å; V32-F47 HydrophobicContact CG1-CD1 4.4Å; V32-F47 HydrophobicContact CG1-CE1 3.52Å; V32-F47 HydrophobicContact CG1-CE2 4.43Å; V32-F47 HydrophobicContact CG1-CZ 3.57Å; V32-F47 HydrophobicContact CG2-CE1 4.39Å; V32-F47 HydrophobicContact CG2-CZ 3.81Å; L35-F47 HydrophobicContact CB-CD2 4.4Å; L35-F47 HydrophobicContact CB-CE2 4.05Å; L35-F47 HydrophobicContact CD1-CE2 3.92Å; L36-F47 HydrophobicContact CD2-CB 3.47Å; L36-F47 VanDerWaalsContact CD2-CB 3.47Å; L36-F47 HydrophobicContact CD2-CD1 3.85Å; L36-F47 HydrophobicContact CD2-CD2 4.3Å; L36-F47 HydrophobicContact CD2-CG 3.59Å; L36-F47 HydrophobicContact CG-CD1 4.3Å; L36-F47 HydrophobicContact CG-CG 4.17Å; F40-F47 HydrophobicContact CB-CB 4.2Å; F40-F47 HydrophobicContact CD1-CB 4.1Å; F40-F47 HydrophobicContact CD2-CB 3.99Å; F40-F47 AromaticContact CD2-CD2 3.74Å; F40-F47 HydrophobicContact CD2-CD2 3.74Å; F40-F47 HydrophobicContact CD2-CG 4.35Å; F40-F47 HydrophobicContact CE2-CB 4.45Å; F40-F47 AromaticContact CE2-CD2 3.78Å; F40-F47 HydrophobicContact CE2-CD2 3.78Å; F40-F47 HydrophobicContact CG-CB 3.81Å; F40-F47 HydrophobicContact CG-CD2 4.43Å; F40-F47 HydrophobicContact CZ-CD2 4.47Å; D43-F47 WeakPolarHBondContact O-CB 3.43Å; D43-F47 PolarHBondContact O-N 2.9Å; D43-F47 VanDerWaalsContact O-N 3.11Å; L45-F47 VanDerWaalsContact C-N 3.35Å; F47-F51 HydrophobicContact CD2-CD1 4.02Å; F47-F51 AromaticContact CE2-CD1 3.49Å; F47-F51 HydrophobicContact CE2-CD1 3.49Å; F47-F51 VanDerWaalsContact CE2-CD1 3.49Å; F47-F51 AromaticContact CE2-CE1 3.9Å; F47-F51 HydrophobicContact CE2-CE1 3.9Å; F47-F51 HydrophobicContact CZ-CD1 4.19Å; F47-F51 HydrophobicContact CZ-CE1 4.47Å; F47-L52 HydrophobicContact CE1-CB 4.12Å; F47-L52 HydrophobicContact CE1-CD2 3.84Å; F47-L52 HydrophobicContact CE1-CG 4.48Å; F47-L52 HydrophobicContact CZ-CB 4.19Å; F47-L52 HydrophobicContact CZ-CD2 4.31Å; F47-L52 WeakPolarHBondContact O-CB 3.19Å; F47-L52 PolarHBondContact O-N 3.46Å
48L89.1Confident87.2Confident21 Ų2153.6 Ų53.611%0.1130%0.299CS..Iπ-helixtrans-68.9-47177.917861.9000112.2L6 A9 I10 G44 L45 S46 L52 I53L6-L48 HydrophobicContact CD1-CB 4.17Å; L6-L48 HydrophobicContact CD1-CD2 3.64Å; A9-L48 HydrophobicContact CB-CD2 4.08Å; I10-L48 HydrophobicContact CG1-CB 4.46Å; I10-L48 HydrophobicContact CG1-CD1 4.22Å; G44-L48 VanDerWaalsContact O-CB 3.28Å; G44-L48 WeakPolarHBondContact O-CB 3.24Å; G44-L48 PolarHBondContact O-N 3.46Å; L45-L48 PolarHBondContact O-N 3.07Å; S46-L48 VanDerWaalsContact C-N 3.29Å; S46-L48 PolarHBondContact O-N 3.37Å; L48-L52 HydrophobicContact CD1-CB 4.35Å; L48-L52 HydrophobicContact CD1-CD2 4.03Å; L48-L52 HydrophobicContact CD1-CG 4.44Å; L48-L52 PolarHBondContact O-N 3.43Å; L48-I53 HydrophobicContact CD1-CD1 4.15Å; L48-I53 HydrophobicContact CD1-CG1 4.07Å; L48-I53 HydrophobicContact CG-CD1 4.05Å; L48-I53 HydrophobicContact CG-CG1 4.45Å; L48-I53 WeakPolarHBondContact O-CG1 3.14Å; L48-I53 PolarHBondContact O-N 3.27Å
49L87.8Confident87.8Confident103 Ų10349 Ų4954%0.53927%0.268SS..Iπ-helixtrans-80.8-49.1-172.6-65.1173.3000112.8L45 S46 I53 P54L45-L49 WeakPolarHBondContact O-CB 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.38Å; L45-L49 PolarHBondContact O-N 3.49Å; S46-L49 PolarHBondContact O-N 3.1Å; L49-I53 HydrophobicContact CD2-CD1 4.18Å; L49-P54 VanDerWaalsContact O-CD 3.23Å; L49-P54 WeakPolarHBondContact O-CD 3.19Å
50D87.4Confident88.6Confident42 Ų4249.5 Ų49.523%0.22526%0.256CS..Iπ-helixtrans-84.6-16.1-170.6-54-49.7000113.1F40 S46 Q115F40-D50 HydrophobicContact CE1-CB 4.39Å; S46-D50 WeakPolarHBondContact CA-OD2 3.49Å; S46-D50 WeakPolarHBondContact CB-OD2 3.4Å; S46-D50 WeakPolarHBondContact O-CA 3.35Å; S46-D50 VanDerWaalsContact O-CB 3.23Å; S46-D50 WeakPolarHBondContact O-CB 3.48Å; S46-D50 PolarHBondContact O-N 3.36Å; S46-D50 PolarHBondContact OG-OD2 2.89Å; D50-Q115 PolarHBondContact OD1-NE2 2.9Å
51F90.9Very high89.1Confident1 Ų152.9 Ų52.90%0.00427%0.273CS..Iπ-helixtrans-133.2-56.5179.5174.3-99.4000114.1L35 F40 F47 I53 P54 A55 L92 V109 P111 V117L35-F51 HydrophobicContact CD1-CD1 4.49Å; L35-F51 HydrophobicContact CD1-CE1 3.72Å; L35-F51 HydrophobicContact CD1-CZ 4.12Å; F40-F51 HydrophobicContact CE2-CB 4.25Å; F40-F51 HydrophobicContact CZ-CB 3.69Å; F40-F51 HydrophobicContact CZ-CG 4.45Å; F47-F51 HydrophobicContact CD2-CD1 4.02Å; F47-F51 AromaticContact CE2-CD1 3.49Å; F47-F51 HydrophobicContact CE2-CD1 3.49Å; F47-F51 VanDerWaalsContact CE2-CD1 3.49Å; F47-F51 AromaticContact CE2-CE1 3.9Å; F47-F51 HydrophobicContact CE2-CE1 3.9Å; F47-F51 HydrophobicContact CZ-CD1 4.19Å; F47-F51 HydrophobicContact CZ-CE1 4.47Å; F51-I53 PolarHBondContact O-N 3.45Å; F51-P54 WeakPolarHBondContact O-CD 3.08Å; F51-A55 HydrophobicContact CE1-CB 4.4Å; F51-A55 HydrophobicContact CE2-CB 4.37Å; F51-A55 HydrophobicContact CZ-CB 4.28Å; F51-A55 WeakPolarHBondContact O-CB 3.28Å; F51-A55 PolarHBondContact O-N 2.8Å; F51-L92 HydrophobicContact CE1-CB 4.24Å; F51-L92 HydrophobicContact CE1-CD2 4.31Å; F51-L92 HydrophobicContact CZ-CB 4.27Å; F51-L92 HydrophobicContact CZ-CD2 4.3Å; F51-V109 HydrophobicContact CE2-CB 4.37Å; F51-V109 HydrophobicContact CE2-CG1 4Å; F51-V109 HydrophobicContact CZ-CB 4.34Å; F51-V109 HydrophobicContact CZ-CG1 4.36Å; F51-P111 HydrophobicContact CD2-CB 4.07Å; F51-P111 HydrophobicContact CD2-CG 4.25Å; F51-V117 HydrophobicContact CD2-CG1 4.01Å; F51-V117 HydrophobicContact CE2-CG1 4.4Å
52L91.5Very high89.7Confident0 Ų043.7 Ų43.70%023%0.23CC..Iπ-helixtrans-69.2-36.8-167.5-175.959.4000113.4I10 A13 L14 F47 L48 K56 L92I10-L52 HydrophobicContact CB-CD2 4.31Å; I10-L52 HydrophobicContact CG1-CD2 4.22Å; I10-L52 HydrophobicContact CG2-CD2 3.97Å; A13-L52 HydrophobicContact CB-CD2 4Å; A13-L52 HydrophobicContact CB-CG 4.24Å; L14-L52 HydrophobicContact CD2-CD1 3.72Å; L14-L52 HydrophobicContact CD2-CD2 4.36Å; L14-L52 HydrophobicContact CG-CD2 4.42Å; F47-L52 HydrophobicContact CE1-CB 4.12Å; F47-L52 HydrophobicContact CE1-CD2 3.84Å; F47-L52 HydrophobicContact CE1-CG 4.48Å; F47-L52 HydrophobicContact CZ-CB 4.19Å; F47-L52 HydrophobicContact CZ-CD2 4.31Å; F47-L52 WeakPolarHBondContact O-CB 3.19Å; F47-L52 PolarHBondContact O-N 3.46Å; L48-L52 HydrophobicContact CD1-CB 4.35Å; L48-L52 HydrophobicContact CD1-CD2 4.03Å; L48-L52 HydrophobicContact CD1-CG 4.44Å; L48-L52 PolarHBondContact O-N 3.43Å; L52-K56 WeakPolarHBondContact O-CB 3.14Å; L52-K56 PolarHBondContact O-N 3.02Å; L52-L92 HydrophobicContact CD1-CD1 4.3Å
53I91.6Very high90.2Very high61 Ų6143.9 Ų43.931%0.31322%0.216SC..Hα-helixtrans-69.1-47.9175.4-73.4167000111.8L48 L49 F51 K56 R57L48-I53 HydrophobicContact CD1-CD1 4.15Å; L48-I53 HydrophobicContact CD1-CG1 4.07Å; L48-I53 HydrophobicContact CG-CD1 4.05Å; L48-I53 HydrophobicContact CG-CG1 4.45Å; L48-I53 WeakPolarHBondContact O-CG1 3.14Å; L48-I53 PolarHBondContact O-N 3.27Å; L49-I53 HydrophobicContact CD2-CD1 4.18Å; F51-I53 PolarHBondContact O-N 3.45Å; I53-K56 PolarHBondContact O-N 3.25Å; I53-R57 WeakPolarHBondContact O-CG 3.41Å; I53-R57 PolarHBondContact O-N 3.44Å; I53-R57 VanDerWaalsContact O-N 3.11Å
54P91.8Very high90.5Very high22 Ų2247 Ų4714%0.14323%0.228CC..Hα-helixtrans-55.4-50.5169.1-28.334.8000113.2L49 F51 K56 R57 L58 V117L49-P54 VanDerWaalsContact O-CD 3.23Å; L49-P54 WeakPolarHBondContact O-CD 3.19Å; F51-P54 WeakPolarHBondContact O-CD 3.08Å; P54-K56 VanDerWaalsContact C-N 3.27Å; P54-K56 PolarHBondContact O-N 2.66Å; P54-R57 PolarHBondContact O-N 3.15Å; P54-R57 VanDerWaalsContact O-N 3.17Å; P54-L58 PolarHBondContact O-N 3.11Å; P54-V117 VanDerWaalsContact C-CG2 3.45Å; P54-V117 HydrophobicContact CB-CB 4.4Å; P54-V117 HydrophobicContact CB-CG1 3.84Å; P54-V117 HydrophobicContact CB-CG2 3.69Å
55A92.8Very high90.6Very high0 Ų048 Ų480%023%0.234CC..Hα-helixtrans-58.5-39.2178.500000112F51 C59 L92 V109 V117F51-A55 HydrophobicContact CE1-CB 4.4Å; F51-A55 HydrophobicContact CE2-CB 4.37Å; F51-A55 HydrophobicContact CZ-CB 4.28Å; F51-A55 WeakPolarHBondContact O-CB 3.28Å; F51-A55 PolarHBondContact O-N 2.8Å; A55-C59 WeakPolarHBondContact O-CB 3.47Å; A55-C59 PolarHBondContact O-N 3.11Å; A55-C59 PolarHBondContact O-SG 3.46Å; A55-L92 HydrophobicContact CB-CD2 4.5Å; A55-V109 HydrophobicContact CB-CG1 3.85Å; A55-V117 HydrophobicContact CB-CG1 4.44Å
56K92.3Very high90.7Very high53 Ų5345.3 Ų45.323%0.2322%0.222CC..Hα-helixtrans-60.4-52.9174.9176.3176.1172-179.60111.2A13 L17 L52 I53 P54 L58 C59 E60A13-K56 HydrophobicContact CB-CD 4.32Å; L17-K56 HydrophobicContact CD1-CB 4.06Å; L17-K56 HydrophobicContact CD1-CG 4.29Å; L17-K56 HydrophobicContact CD2-CB 4.43Å; L17-K56 HydrophobicContact CD2-CG 4.01Å; L17-K56 HydrophobicContact CG-CB 4.41Å; L17-K56 HydrophobicContact CG-CG 4.1Å; L52-K56 WeakPolarHBondContact O-CB 3.14Å; L52-K56 PolarHBondContact O-N 3.02Å; I53-K56 PolarHBondContact O-N 3.25Å; P54-K56 VanDerWaalsContact C-N 3.27Å; P54-K56 PolarHBondContact O-N 2.66Å; K56-L58 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 2.97Å; K56-C59 PolarHBondContact O-N 3.08Å; K56-E60 WeakPolarHBondContact CE-OE1 3.29Å; K56-E60 WeakPolarHBondContact CE-OE2 3.48Å; K56-E60 HydrophobicContact CG-CG 4.29Å; K56-E60 IonicContact NZ-OE1 2.91Å; K56-E60 PolarHBondContact NZ-OE1 3.34Å; K56-E60 IonicContact NZ-OE2 3.71Å; K56-E60 WeakPolarHBondContact O-CB 3.1Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3Å
57R91.5Very high90.8Very high177 Ų17744.3 Ų44.367%0.66822%0.215SC*.Hα-helixtrans-57.1-45.8-179.6-70.4171.6175173.1-2.2111.9I53 P54 E60 Q61I53-R57 WeakPolarHBondContact O-CG 3.41Å; I53-R57 PolarHBondContact O-N 3.44Å; I53-R57 VanDerWaalsContact O-N 3.11Å; P54-R57 PolarHBondContact O-N 3.15Å; P54-R57 VanDerWaalsContact O-N 3.17Å; R57-E60 PolarHBondContact O-N 3.2Å; R57-Q61 WeakPolarHBondContact O-CB 3.24Å; R57-Q61 PolarHBondContact O-N 2.81Å
58L92.2Very high90.7Very high11 Ų1147 Ų476%0.05824%0.237CC..Hα-helixtrans-62.3-46.8177.6174.456.1000112.2P54 K56 E60 Q61 V62 V117 I119 Y141P54-L58 PolarHBondContact O-N 3.11Å; K56-L58 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 2.97Å; L58-E60 VanDerWaalsContact C-N 3.33Å; L58-E60 PolarHBondContact O-N 3.02Å; L58-Q61 PolarHBondContact O-N 3.24Å; L58-V62 HydrophobicContact CD1-CG2 4.11Å; L58-V62 VanDerWaalsContact O-CG2 3.32Å; L58-V62 WeakPolarHBondContact O-CG2 3.21Å; L58-V62 PolarHBondContact O-N 2.91Å; L58-V117 HydrophobicContact CB-CG2 4.03Å; L58-V117 HydrophobicContact CD2-CB 4.34Å; L58-V117 HydrophobicContact CD2-CG2 3.84Å; L58-I119 HydrophobicContact CD2-CG1 4.1Å; L58-Y141 HydrophobicContact CD1-CD1 4.39Å; L58-Y141 HydrophobicContact CD1-CD2 3.62Å; L58-Y141 HydrophobicContact CD1-CE1 4.13Å; L58-Y141 HydrophobicContact CD1-CE2 3.3Å; L58-Y141 HydrophobicContact CD1-CG 4.18Å
59C92.5Very high90.6Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-67.6-33.6179.2-66.90000112.4L17 A55 K56 R63 L82L17-C59 HydrophobicContact CD2-CB 3.58Å; A55-C59 WeakPolarHBondContact O-CB 3.47Å; A55-C59 PolarHBondContact O-N 3.11Å; A55-C59 PolarHBondContact O-SG 3.46Å; K56-C59 PolarHBondContact O-N 3.08Å; C59-R63 VanDerWaalsContact O-CB 3.29Å; C59-R63 WeakPolarHBondContact O-CB 3.37Å; C59-R63 PolarHBondContact O-N 3.28Å; C59-L82 HydrophobicContact CB-CD1 3.84Å; C59-L82 HydrophobicContact CB-CD2 4.1Å
60E92.3Very high90.4Very high60 Ų6048.8 Ų48.828%0.2825%0.247SC..Hα-helixtrans-66.7-44.7173.3-74.4-178.8143.600111.9L17 K56 R57 L58 V62 R63 E64L17-E60 HydrophobicContact CD2-CG 4.03Å; K56-E60 WeakPolarHBondContact CE-OE1 3.29Å; K56-E60 WeakPolarHBondContact CE-OE2 3.48Å; K56-E60 HydrophobicContact CG-CG 4.29Å; K56-E60 IonicContact NZ-OE1 2.91Å; K56-E60 PolarHBondContact NZ-OE1 3.34Å; K56-E60 IonicContact NZ-OE2 3.71Å; K56-E60 WeakPolarHBondContact O-CB 3.1Å; K56-E60 WeakPolarHBondContact O-CG 3.4Å; K56-E60 PolarHBondContact O-N 3Å; R57-E60 PolarHBondContact O-N 3.2Å; L58-E60 VanDerWaalsContact C-N 3.33Å; L58-E60 PolarHBondContact O-N 3.02Å; E60-V62 PolarHBondContact O-N 2.87Å; E60-R63 PolarHBondContact O-N 2.91Å; E60-R63 IonicContact OE1-NH2 3.34Å; E60-E64 WeakPolarHBondContact O-CB 3.48Å; E60-E64 PolarHBondContact O-N 3.25Å
61Q92.1Very high90Very high112 Ų11251.8 Ų51.852%0.52327%0.271SS..Hα-helixtrans-59.3-45.4174.5179.8-174.8-4.300112.2R57 L58 E64 A65R57-Q61 WeakPolarHBondContact O-CB 3.24Å; R57-Q61 PolarHBondContact O-N 2.81Å; L58-Q61 PolarHBondContact O-N 3.24Å; Q61-E64 PolarHBondContact O-N 2.79Å; Q61-A65 WeakPolarHBondContact O-CB 3.41Å; Q61-A65 PolarHBondContact O-N 3.35Å
62V92.6Very high89.4Confident1 Ų159.2 Ų59.21%0.00631%0.305CS..Hα-helixtrans-64.3-41.9177.3169.60000111.1L58 E60 A66 I119 Y141 L144 F145L58-V62 HydrophobicContact CD1-CG2 4.11Å; L58-V62 VanDerWaalsContact O-CG2 3.32Å; L58-V62 WeakPolarHBondContact O-CG2 3.21Å; L58-V62 PolarHBondContact O-N 2.91Å; E60-V62 PolarHBondContact O-N 2.87Å; V62-A66 VanDerWaalsContact O-CB 3.31Å; V62-A66 WeakPolarHBondContact O-CB 3.27Å; V62-A66 PolarHBondContact O-N 2.86Å; V62-I119 HydrophobicContact CG2-CD1 3.96Å; V62-Y141 HydrophobicContact CG2-CD1 4.21Å; V62-Y141 HydrophobicContact CG2-CG 4.07Å; V62-L144 HydrophobicContact CG1-CB 4.39Å; V62-L144 HydrophobicContact CG1-CD2 3.65Å; V62-F145 HydrophobicContact CG1-CD2 3.91Å; V62-F145 HydrophobicContact CG1-CE2 3.64Å
63R91.4Very high89Confident50 Ų5061.1 Ų61.119%0.18932%0.318CS..Hα-helixtrans-64.1-45.6175.5178.3174.367.8-165.71.1111.6G16 L17 C59 E60 A66 C67 L82G16-R63 PolarHBondContact O-NH1 3.44Å; G16-R63 PolarHBondContact O-NH2 2.95Å; G16-R63 VanDerWaalsContact O-NH2 3.13Å; L17-R63 PolarHBondContact O-NH1 2.95Å; C59-R63 VanDerWaalsContact O-CB 3.29Å; C59-R63 WeakPolarHBondContact O-CB 3.37Å; C59-R63 PolarHBondContact O-N 3.28Å; E60-R63 PolarHBondContact O-N 2.91Å; E60-R63 IonicContact OE1-NH2 3.34Å; R63-A66 PolarHBondContact O-N 3.33Å; R63-C67 VanDerWaalsContact O-CB 3.25Å; R63-C67 WeakPolarHBondContact O-CB 3.36Å; R63-C67 PolarHBondContact O-N 3.48Å; R63-C67 PolarHBondContact O-SG 3.46Å; R63-L82 HydrophobicContact CB-CD1 4.32Å; R63-L82 HydrophobicContact CB-CG 4.47Å
64E90.8Very high88.6Confident147 Ų14763.5 Ų63.569%0.68733%0.331SS*.Hα-helixtrans-60-48178.9-175.8174.3-172.500111.3E60 Q61 A66 C67 A68E60-E64 WeakPolarHBondContact O-CB 3.48Å; E60-E64 PolarHBondContact O-N 3.25Å; Q61-E64 PolarHBondContact O-N 2.79Å; E64-A66 PolarHBondContact O-N 2.85Å; E64-C67 PolarHBondContact O-N 3.43Å; E64-A68 WeakPolarHBondContact O-CB 3.31Å; E64-A68 PolarHBondContact O-N 2.71Å
65A89.6Confident88.2Confident32 Ų3264.8 Ų64.826%0.26434%0.335SS..Hα-helixtrans-63.6-41.5178.100000112.8Q61 P142Q61-A65 WeakPolarHBondContact O-CB 3.41Å; Q61-A65 PolarHBondContact O-N 3.35Å; A65-P142 HydrophobicContact CB-CB 4.12Å
66A89.3Confident87.8Confident12 Ų1268.1 Ų68.110%0.09935%0.352CS..Hα-helixtrans-67.8-33.8176.100000112.9V62 R63 E64 P69 W80 P81 F145V62-A66 VanDerWaalsContact O-CB 3.31Å; V62-A66 WeakPolarHBondContact O-CB 3.27Å; V62-A66 PolarHBondContact O-N 2.86Å; R63-A66 PolarHBondContact O-N 3.33Å; E64-A66 PolarHBondContact O-N 2.85Å; A66-P69 WeakPolarHBondContact O-CD 3.43Å; A66-W80 HydrophobicContact CB-CH2 4.06Å; A66-W80 HydrophobicContact CB-CZ3 3.94Å; A66-W80 WeakPolarHBondContact O-CZ3 3.44Å; A66-P81 HydrophobicContact CB-CG 3.85Å; A66-F145 HydrophobicContact CB-CB 4.27Å; A66-F145 HydrophobicContact CB-CD2 4.35Å
67C88.3Confident87.4Confident26 Ų2666 Ų6618%0.17634%0.343CS..Hα-helixtrans-82.7-24.3-179.9-70.80000113.9R63 E64 P69 Y70 S71 F75R63-C67 VanDerWaalsContact O-CB 3.25Å; R63-C67 WeakPolarHBondContact O-CB 3.36Å; R63-C67 PolarHBondContact O-N 3.48Å; R63-C67 PolarHBondContact O-SG 3.46Å; E64-C67 PolarHBondContact O-N 3.43Å; C67-P69 VanDerWaalsContact C-CD 3.43Å; C67-Y70 CarbonylContact O-C 3.45Å; C67-Y70 WeakPolarHBondContact O-CA 3.4Å; C67-Y70 PolarHBondContact O-N 3.43Å; C67-S71 PolarHBondContact O-N 3.27Å; C67-F75 HydrophobicContact CB-CE2 4.23Å; C67-F75 HydrophobicContact CB-CZ 3.99Å
68A87.8Confident87Confident57 Ų5764.1 Ų64.147%0.47134%0.342SS..G310 helixtrans-52-41.3-176.100000115.4E64 Y70 S71E64-A68 WeakPolarHBondContact O-CB 3.31Å; E64-A68 PolarHBondContact O-N 2.71Å; A68-Y70 PolarHBondContact O-N 3.29Å; A68-S71 WeakPolarHBondContact O-CB 3.3Å; A68-S71 PolarHBondContact O-N 2.87Å; A68-S71 PolarHBondContact O-OG 3.38Å
69P85.8Confident86.7Confident83 Ų8363.6 Ų63.654%0.53934%0.339SS..G310 helixtrans-61.1-25.1174.8-23.234.8000114A66 C67 H72A66-P69 WeakPolarHBondContact O-CD 3.43Å; C67-P69 VanDerWaalsContact C-CD 3.43Å; P69-H72 PolarHBondContact O-CE1 3.2Å
70Y84.1Confident86.6Confident77 Ų7764 Ų6430%0.30234%0.34SS..G310 helixtrans-109.119.4-173.8-50.8-70.2000112.8C67 A68 H72 C73 F75 W80 P184 F186C67-Y70 CarbonylContact O-C 3.45Å; C67-Y70 WeakPolarHBondContact O-CA 3.4Å; C67-Y70 PolarHBondContact O-N 3.43Å; A68-Y70 PolarHBondContact O-N 3.29Å; Y70-H72 PolarHBondContact O-N 3.3Å; Y70-C73 PolarHBondContact O-N 2.95Å; Y70-F75 HydrophobicContact CD2-CE1 4.4Å; Y70-F75 HydrophobicContact CD2-CZ 4.29Å; Y70-F75 HydrophobicContact CG-CZ 4.38Å; Y70-W80 HydrophobicContact CD2-CH2 4.26Å; Y70-W80 HydrophobicContact CD2-CZ3 4.3Å; Y70-W80 AromaticContact CE2-CH2 3.96Å; Y70-W80 HydrophobicContact CE2-CH2 3.96Å; Y70-W80 HydrophobicContact CE2-CZ3 4.45Å; Y70-P184 HydrophobicContact CD1-CG 4.34Å; Y70-P184 HydrophobicContact CD2-CG 4.08Å; Y70-P184 HydrophobicContact CE1-CG 4.03Å; Y70-P184 HydrophobicContact CE2-CG 3.76Å; Y70-P184 HydrophobicContact CG-CG 4.34Å; Y70-F186 HydrophobicContact CD1-CE2 4.25Å; Y70-F186 AromaticContact CD1-CZ 3.56Å; Y70-F186 HydrophobicContact CD1-CZ 3.56Å; Y70-F186 HydrophobicContact CE1-CZ 4.17Å; Y70-F186 HydrophobicContact CG-CE1 4.41Å; Y70-F186 AromaticContact CG-CZ 3.79Å; Y70-F186 HydrophobicContact CG-CZ 3.79Å
71S78.6Confident86.5Confident105 Ų10561.1 Ų61.173%0.73433%0.327SS*.THydrogen-bonded Turntrans-54.5-8.5-178.6440000116.4C67 A68C67-S71 PolarHBondContact O-N 3.27Å; A68-S71 WeakPolarHBondContact O-CB 3.3Å; A68-S71 PolarHBondContact O-N 2.87Å; A68-S71 PolarHBondContact O-OG 3.38Å
72H78.9Confident86.4Confident157 Ų15755.8 Ų55.873%0.72730%0.302SS*.THydrogen-bonded Turntrans-110.75.1178.352.7-82.8000113.4P69 Y70P69-H72 PolarHBondContact O-CE1 3.2Å; Y70-H72 PolarHBondContact O-N 3.3Å
73C82.6Confident86.4Confident41 Ų4155.8 Ų55.828%0.27730%0.302SS..SBendtrans-117.6144.5-176.4-63.10000111.9Y70 F186Y70-C73 PolarHBondContact O-N 2.95Å; C73-F186 HydrophobicContact CB-CD1 3.48Å; C73-F186 VanDerWaalsContact CB-CD1 3.48Å; C73-F186 HydrophobicContact CB-CE1 3.39Å; C73-F186 HydrophobicContact CB-CG 4.13Å; C73-F186 HydrophobicContact CB-CZ 3.97Å
74L82.8Confident86.3Confident110 Ų11053.6 Ų53.658%0.57629%0.294SS*.  trans-90.8111.3172.3-64.2-179.6000110.1F186 V187L74-F186 CarbonylContact O-C 3.56Å; L74-F186 VanDerWaalsContact O-CA 3.32Å; L74-F186 WeakPolarHBondContact O-CA 3.36Å; L74-V187 HydrophobicContact CB-CB 4.3Å; L74-V187 HydrophobicContact CB-CG2 4.49Å; L74-V187 PolarHBondContact O-N 3.05Å
75F84.3Confident85.9Confident50 Ų5052.2 Ų52.222%0.21928%0.283CS..BIsolated β-bridgetrans-64.5137.5176.7-63.3-92000111.5C67 Y70 H77 W80 P184 F186C67-F75 HydrophobicContact CB-CE2 4.23Å; C67-F75 HydrophobicContact CB-CZ 3.99Å; Y70-F75 HydrophobicContact CD2-CE1 4.4Å; Y70-F75 HydrophobicContact CD2-CZ 4.29Å; Y70-F75 HydrophobicContact CG-CZ 4.38Å; F75-H77 PolarHBondContact O-N 3.47Å; F75-W80 HydrophobicContact CD1-CB 4.27Å; F75-W80 HydrophobicContact CD1-CD2 4.21Å; F75-W80 AromaticContact CD1-CE3 3.99Å; F75-W80 HydrophobicContact CD1-CE3 3.99Å; F75-W80 HydrophobicContact CD1-CG 4.34Å; F75-W80 AromaticContact CE1-CD2 3.92Å; F75-W80 HydrophobicContact CE1-CD2 3.92Å; F75-W80 AromaticContact CE1-CE3 3.32Å; F75-W80 HydrophobicContact CE1-CE3 3.32Å; F75-W80 AromaticContact CE1-CZ3 3.73Å; F75-W80 HydrophobicContact CE1-CZ3 3.73Å; F75-W80 AromaticContact CZ-CE3 3.93Å; F75-W80 HydrophobicContact CZ-CE3 3.93Å; F75-W80 HydrophobicContact CZ-CZ3 4.11Å; F75-P184 HydrophobicContact CD1-CB 3.77Å; F75-P184 HydrophobicContact CE1-CB 3.63Å; F75-P184 HydrophobicContact CE1-CG 4.33Å; F75-F186 HydrophobicContact CD1-CD1 4.22Å; F75-F186 AromaticContact CD1-CE1 3.7Å; F75-F186 HydrophobicContact CD1-CE1 3.7Å; F75-F186 AromaticContact CE1-CE1 3.73Å; F75-F186 HydrophobicContact CE1-CE1 3.73Å; F75-F186 HydrophobicContact CE1-CZ 4.34Å; F75-F186 HydrophobicContact CG-CD1 4.43Å; F75-F186 HydrophobicContact CG-CE1 4.19Å; F75-F186 HydrophobicContact CZ-CE1 4.24Å
76L84.4Confident85.8Confident69 Ų6953.4 Ų53.436%0.36128%0.284SS..SBendtrans-75.2-8.5171.7-17258.8000112.2E185 V187L76-E185 HydrophobicContact CB-CB 3.94Å; L76-E185 WeakPolarHBondContact CB-O 3.31Å; L76-E185 HydrophobicContact CD2-CB 3.99Å; L76-E185 WeakPolarHBondContact CD2-OE2 3.28Å; L76-E185 PolarHBondContact N-O 3.16Å; L76-V187 HydrophobicContact CB-CG2 4.39Å; L76-V187 HydrophobicContact CD1-CG2 4Å
77H84.5Confident85.9Confident9 Ų954.7 Ų54.74%0.04229%0.288CS..SBendtrans-131.5104.8179.6-60-3.9000108.6F75 G79 W80 E185F75-H77 PolarHBondContact O-N 3.47Å; H77-G79 PolarHBondContact O-N 3.4Å; H77-W80 HydrophobicContact CB-CB 4.22Å; H77-W80 WeakPolarHBondContact O-CB 3.39Å; H77-W80 PolarHBondContact O-N 2.74Å; H77-W80 VanDerWaalsContact O-N 3.12Å; H77-E185 IonicContact CE1-OE2 3.33Å; H77-E185 IonicContact NE2-OE2 3.78Å
78E83.4Confident86.2Confident138 Ų13853.5 Ų53.565%0.64528%0.28SS*.THydrogen-bonded Turntrans-57.4-33.8-174.1-61.3173.4170.300113.3P19P19-E78 HydrophobicContact CB-CB 3.95Å; P19-E78 HydrophobicContact CG-CB 3.99Å
79G85.8Confident86.5Confident0 Ų050.8 Ų50.80%026%0.258CS..THydrogen-bonded Turntrans-95.311.4-179.200000115.3P19 H77 L82 C83P19-G79 WeakPolarHBondContact O-CA 3.4Å; P19-G79 PolarHBondContact O-N 2.94Å; H77-G79 PolarHBondContact O-N 3.4Å; G79-L82 WeakPolarHBondContact O-CA 3.03Å; G79-L82 PolarHBondContact O-N 3.01Å; G79-C83 CarbonylContact C-O 3.53Å; G79-C83 VanDerWaalsContact C-O 3.25Å; G79-C83 PolarHBondContact O-N 3.39Å
80W90.1Very high86.9Confident7 Ų746.8 Ų46.83%0.02723%0.232CC..THydrogen-bonded Turntrans-59.6139174.6-174.591.6000110.1A66 Y70 F75 H77 C83 I181 P184A66-W80 HydrophobicContact CB-CH2 4.06Å; A66-W80 HydrophobicContact CB-CZ3 3.94Å; A66-W80 WeakPolarHBondContact O-CZ3 3.44Å; Y70-W80 HydrophobicContact CD2-CH2 4.26Å; Y70-W80 HydrophobicContact CD2-CZ3 4.3Å; Y70-W80 AromaticContact CE2-CH2 3.96Å; Y70-W80 HydrophobicContact CE2-CH2 3.96Å; Y70-W80 HydrophobicContact CE2-CZ3 4.45Å; F75-W80 HydrophobicContact CD1-CB 4.27Å; F75-W80 HydrophobicContact CD1-CD2 4.21Å; F75-W80 AromaticContact CD1-CE3 3.99Å; F75-W80 HydrophobicContact CD1-CE3 3.99Å; F75-W80 HydrophobicContact CD1-CG 4.34Å; F75-W80 AromaticContact CE1-CD2 3.92Å; F75-W80 HydrophobicContact CE1-CD2 3.92Å; F75-W80 AromaticContact CE1-CE3 3.32Å; F75-W80 HydrophobicContact CE1-CE3 3.32Å; F75-W80 AromaticContact CE1-CZ3 3.73Å; F75-W80 HydrophobicContact CE1-CZ3 3.73Å; F75-W80 AromaticContact CZ-CE3 3.93Å; F75-W80 HydrophobicContact CZ-CE3 3.93Å; F75-W80 HydrophobicContact CZ-CZ3 4.11Å; H77-W80 HydrophobicContact CB-CB 4.22Å; H77-W80 WeakPolarHBondContact O-CB 3.39Å; H77-W80 PolarHBondContact O-N 2.74Å; H77-W80 VanDerWaalsContact O-N 3.12Å; W80-C83 PolarHBondContact N-O 3.33Å; W80-I181 PolarHBondContact NE1-O 3.18Å; W80-P184 HydrophobicContact CD2-CB 4.03Å; W80-P184 HydrophobicContact CE3-CB 4.46Å; W80-P184 HydrophobicContact CG-CB 4.48Å; W80-P184 HydrophobicContact CH2-CB 4.45Å; W80-P184 HydrophobicContact CH2-CG 4.35Å; W80-P184 HydrophobicContact CZ2-CB 4.02Å; W80-P184 HydrophobicContact CZ2-CG 4.1Å
81P88.9Confident87.4Confident0 Ų043.1 Ų43.10%022%0.218CC..THydrogen-bonded Turncis-90.90.9-037.2-37000114.7A66 F145A66-P81 HydrophobicContact CB-CG 3.85Å; P81-F145 HydrophobicContact CB-CB 4.22Å; P81-F145 HydrophobicContact CB-CD1 3.65Å; P81-F145 HydrophobicContact CB-CD2 3.6Å; P81-F145 HydrophobicContact CB-CE1 3.8Å; P81-F145 HydrophobicContact CB-CE2 3.72Å; P81-F145 HydrophobicContact CB-CG 3.54Å; P81-F145 HydrophobicContact CB-CZ 3.83Å; P81-F145 HydrophobicContact CG-CB 4.43Å; P81-F145 HydrophobicContact CG-CD1 4.27Å; P81-F145 HydrophobicContact CG-CD2 3.24Å; P81-F145 HydrophobicContact CG-CE1 4.36Å; P81-F145 HydrophobicContact CG-CE2 3.34Å; P81-F145 HydrophobicContact CG-CG 3.73Å; P81-F145 HydrophobicContact CG-CZ 3.92Å
82L91.3Very high88Confident1 Ų138.1 Ų38.11%0.00518%0.183CC..THydrogen-bonded Turntrans-71.5-29.6-174.6-55.4176.1000113.3L17 Y18 C59 R63 G79 V89 V90L17-L82 HydrophobicContact CD2-CD1 4.14Å; Y18-L82 HydrophobicContact CD1-CB 4.27Å; Y18-L82 HydrophobicContact CE1-CB 4.17Å; C59-L82 HydrophobicContact CB-CD1 3.84Å; C59-L82 HydrophobicContact CB-CD2 4.1Å; R63-L82 HydrophobicContact CB-CD1 4.32Å; R63-L82 HydrophobicContact CB-CG 4.47Å; G79-L82 WeakPolarHBondContact O-CA 3.03Å; G79-L82 PolarHBondContact O-N 3.01Å; L82-V89 WeakPolarHBondContact O-CB 3.27Å; L82-V89 PolarHBondContact O-N 3.29Å; L82-V90 HydrophobicContact CD2-CB 4.15Å; L82-V90 HydrophobicContact CD2-CG2 3.82Å; L82-V90 PolarHBondContact O-N 2.89Å
83C91.4Very high88.5Confident0 Ų030.7 Ų30.70%015%0.148CC..EExtended strand (participates in β ladder)trans-152.3154.4170.5570000113.4Y18 T24 G79 W80 E87Y18-C83 VanDerWaalsContact CA-SG 3.58Å; Y18-C83 HydrophobicContact CD1-CB 4.09Å; T24-C83 HydrophobicContact CG2-CB 4.3Å; G79-C83 CarbonylContact C-O 3.53Å; G79-C83 VanDerWaalsContact C-O 3.25Å; G79-C83 PolarHBondContact O-N 3.39Å; W80-C83 PolarHBondContact N-O 3.33Å; C83-E87 CarbonylContact C-O 3.55Å; C83-E87 WeakPolarHBondContact CA-O 3.13Å; C83-E87 VanDerWaalsContact CB-O 3.27Å; C83-E87 WeakPolarHBondContact CB-O 3.5Å
84L89.1Confident88.8Confident5 Ų531.3 Ų31.33%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-115.289.2179-43175.5000108.4D86 E87 V89 I181L84-D86 PolarHBondContact O-N 3.03Å; L84-E87 HydrophobicContact CB-CB 4.21Å; L84-E87 PolarHBondContact N-O 3.25Å; L84-E87 WeakPolarHBondContact O-CB 3.38Å; L84-E87 PolarHBondContact O-N 3.47Å; L84-V89 HydrophobicContact CD1-CG2 4.22Å; L84-V89 HydrophobicContact CD2-CG2 4.45Å; L84-V89 HydrophobicContact CG-CG2 3.87Å; L84-I181 HydrophobicContact CD1-CG1 4.33Å
85R82.6Confident89Confident118 Ų11826.4 Ų26.445%0.44513%0.126SC..THydrogen-bonded Turntrans57.4-96.5-169.6-55.5-176.4-178.1121.74.9112.9T24T24-R85 WeakPolarHBondContact CG2-O 3.26Å
86D88.4Confident89Confident56 Ų5627.3 Ų27.330%0.29913%0.133SC..THydrogen-bonded Turntrans-97.2-13.3177.261.3-61.7000113.5A23 L84 V88 S169A23-D86 HydrophobicContact CB-CB 4.13Å; L84-D86 PolarHBondContact O-N 3.03Å; D86-V88 PolarHBondContact O-N 3.26Å; D86-S169 WeakPolarHBondContact O-CA 3.36Å; D86-S169 WeakPolarHBondContact O-CB 3.31Å; D86-S169 WeakPolarHBondContact OD2-CB 3.43Å
87E91.3Very high88.8Confident40 Ų4025.8 Ų25.819%0.18713%0.128CC..EExtended strand (participates in β ladder)trans-83.6104.8179.6-54.4-171.1121.300111.2C83 L84 V167 K180C83-E87 CarbonylContact C-O 3.55Å; C83-E87 WeakPolarHBondContact CA-O 3.13Å; C83-E87 VanDerWaalsContact CB-O 3.27Å; C83-E87 WeakPolarHBondContact CB-O 3.5Å; L84-E87 HydrophobicContact CB-CB 4.21Å; L84-E87 PolarHBondContact N-O 3.25Å; L84-E87 WeakPolarHBondContact O-CB 3.38Å; L84-E87 PolarHBondContact O-N 3.47Å; E87-V167 HydrophobicContact CB-CB 4.14Å; E87-V167 HydrophobicContact CB-CG2 3.84Å; E87-V167 HydrophobicContact CG-CG2 4.17Å; E87-K180 IonicContact OE2-NZ 3.46Å; E87-K180 PolarHBondContact OE2-NZ 3.16Å
88V94.2Very high88.4Confident0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans-75.6123.3173.5-179.70000110.1Y18 T27 V28 D86 V90 H91 V167 A168Y18-V88 HydrophobicContact CD1-CG1 4.2Å; Y18-V88 HydrophobicContact CE1-CG1 3.75Å; T27-V88 HydrophobicContact CG2-CB 4.27Å; T27-V88 HydrophobicContact CG2-CG2 3.82Å; V28-V88 HydrophobicContact CG2-CG2 3.64Å; D86-V88 PolarHBondContact O-N 3.26Å; V88-V90 WeakPolarHBondContact CG1-O 3.32Å; V88-H91 PolarHBondContact O-CE1 3.41Å; V88-V167 CarbonylContact O-C 3.52Å; V88-V167 VanDerWaalsContact O-CA 3.24Å; V88-V167 WeakPolarHBondContact O-CA 3.45Å; V88-V167 WeakPolarHBondContact O-CB 3.21Å; V88-A168 WeakPolarHBondContact CB-O 3.47Å; V88-A168 PolarHBondContact N-O 3.18Å; V88-A168 PolarHBondContact O-N 3.08Å
89V93.6Very high88.3Confident0 Ų026 Ų260%013%0.132CC..  trans-99-41.2-176.6177.70000112.3L82 L84 F145 V167 I181L82-V89 WeakPolarHBondContact O-CB 3.27Å; L82-V89 PolarHBondContact O-N 3.29Å; L84-V89 HydrophobicContact CD1-CG2 4.22Å; L84-V89 HydrophobicContact CD2-CG2 4.45Å; L84-V89 HydrophobicContact CG-CG2 3.87Å; V89-F145 HydrophobicContact CG1-CE1 4.09Å; V89-V167 HydrophobicContact CG2-CG1 3.9Å; V89-I181 HydrophobicContact CG1-CD1 4.04Å; V89-I181 HydrophobicContact CG1-CG2 3.88Å; V89-I181 HydrophobicContact CG2-CD1 4.41Å; V89-I181 HydrophobicContact CG2-CG2 4.36Å
90V94.9Very high88.3Confident0 Ų026.4 Ų26.40%014%0.135CC..EExtended strand (participates in β ladder)trans-102.8116.7175.7-179.50000108.7Y18 L82 V88 L107 V109 F145Y18-V90 WeakPolarHBondContact CE1-O 3.3Å; Y18-V90 PolarHBondContact OH-O 3.37Å; L82-V90 HydrophobicContact CD2-CB 4.15Å; L82-V90 HydrophobicContact CD2-CG2 3.82Å; L82-V90 PolarHBondContact O-N 2.89Å; V88-V90 WeakPolarHBondContact CG1-O 3.32Å; V90-L107 HydrophobicContact CG2-CB 4.37Å; V90-L107 HydrophobicContact CG2-CD1 4.28Å; V90-V109 HydrophobicContact CG1-CG2 3.97Å; V90-F145 HydrophobicContact CG2-CE2 4.46Å; V90-F145 HydrophobicContact CG2-CZ 3.73Å
91H94.3Very high88.1Confident0 Ų034.9 Ų34.90%017%0.167CC..EExtended strand (participates in β ladder)trans-90.4142-176-58.3-70.9000111.9Q31 V88 L107 Q108 V109 L166Q31-H91 PolarHBondContact NE2-ND1 3.2Å; V88-H91 PolarHBondContact O-CE1 3.41Å; H91-L107 PolarHBondContact CD2-O 2.91Å; H91-L107 PolarHBondContact N-O 3.27Å; H91-Q108 HydrophobicContact CB-CG 4.16Å; H91-Q108 CarbonylContact O-C 3.57Å; H91-Q108 WeakPolarHBondContact O-CA 3.22Å; H91-Q108 VanDerWaalsContact O-CG 3.32Å; H91-Q108 WeakPolarHBondContact O-CG 3.29Å; H91-V109 PolarHBondContact O-N 3.26Å; H91-L166 PolarHBondContact NE2-O 3.48Å
92L91.8Very high87.8Confident0 Ų039.6 Ų39.60%019%0.189CC..SBendtrans-80.6-36.2166.3-58.9178.9000110.5L14 Y18 V28 V32 L35 F51 L52 A55 Q108 V109L14-L92 HydrophobicContact CD2-CD1 3.53Å; Y18-L92 HydrophobicContact CE2-CD1 4.3Å; Y18-L92 HydrophobicContact CE2-CG 4.37Å; V28-L92 HydrophobicContact CG1-CD1 4.26Å; V32-L92 HydrophobicContact CG2-CD1 3.91Å; L35-L92 HydrophobicContact CD1-CB 3.88Å; L35-L92 WeakPolarHBondContact CD1-O 3.46Å; F51-L92 HydrophobicContact CE1-CB 4.24Å; F51-L92 HydrophobicContact CE1-CD2 4.31Å; F51-L92 HydrophobicContact CZ-CB 4.27Å; F51-L92 HydrophobicContact CZ-CD2 4.3Å; L52-L92 HydrophobicContact CD1-CD1 4.3Å; A55-L92 HydrophobicContact CB-CD2 4.5Å; L92-Q108 PolarHBondContact O-NE2 2.95Å; L92-V109 HydrophobicContact CD2-CG2 4.43Å
93A89.4Confident87.5Confident0 Ų039.8 Ų39.80%019%0.191CC..SBendtrans-117.8149.3-172.400000112Q31 L35 L95Q31-A93 HydrophobicContact CB-CB 3.59Å; Q31-A93 HydrophobicContact CG-CB 4.06Å; Q31-A93 VanDerWaalsContact O-CB 3.31Å; Q31-A93 WeakPolarHBondContact O-CB 3.33Å; L35-A93 HydrophobicContact CD1-CB 4.03Å; L35-A93 HydrophobicContact CD2-CB 4.07Å; L35-A93 HydrophobicContact CG-CB 3.71Å; A93-L95 PolarHBondContact O-N 2.7Å
94P87.8Confident87.5Confident54 Ų5440 Ų4035%0.35119%0.192SC..PPolyproline II helixtrans-58.4140.1-178.422.3-32.7000112.9R34R34-P94 PolarHBondContact NH1-O 3.04Å; R34-P94 PolarHBondContact NH2-O 3.44Å
95L87.4Confident87.7Confident7 Ų739.8 Ų39.84%0.03719%0.191CC..PPolyproline II helixtrans-82.5160.9167.4-58.6-167.8000110.2A93 P97 Y106 L166 I173A93-L95 PolarHBondContact O-N 2.7Å; L95-P97 VanDerWaalsContact O-CD 3.27Å; L95-P97 WeakPolarHBondContact O-CD 3.28Å; L95-Y106 HydrophobicContact CB-CD1 4.2Å; L95-Y106 HydrophobicContact CB-CD2 4.45Å; L95-Y106 HydrophobicContact CB-CE1 3.88Å; L95-Y106 HydrophobicContact CB-CE2 4.13Å; L95-Y106 HydrophobicContact CB-CG 4.47Å; L95-Y106 HydrophobicContact CD1-CD1 4.19Å; L95-Y106 HydrophobicContact CD1-CD2 4.27Å; L95-Y106 HydrophobicContact CD1-CG 3.97Å; L95-Y106 HydrophobicContact CG-CD1 4.38Å; L95-Y106 HydrophobicContact CG-CD2 4.03Å; L95-Y106 HydrophobicContact CG-CE1 4.44Å; L95-Y106 HydrophobicContact CG-CE2 4.09Å; L95-Y106 HydrophobicContact CG-CG 4.17Å; L95-Y106 PolarHBondContact N-OH 3.3Å; L95-Y106 PolarHBondContact O-OH 3.48Å; L95-L166 HydrophobicContact CD1-CB 3.95Å; L95-L166 HydrophobicContact CD1-CD1 4.37Å; L95-I173 HydrophobicContact CB-CD1 4.49Å; L95-I173 HydrophobicContact CD1-CD1 4.39Å; L95-I173 HydrophobicContact CD1-CG2 4.08Å; L95-I173 HydrophobicContact CD2-CD1 3.92Å; L95-I173 HydrophobicContact CD2-CG1 4.49Å
96N83.3Confident88.2Confident70 Ų7034.3 Ų34.337%0.37417%0.17SC..PPolyproline II helixtrans-67118.5175.51793.4000110.1L98 L99N96-L98 PolarHBondContact O-N 3.18Å; N96-L98 VanDerWaalsContact O-N 3.07Å; N96-L98 WeakPolarHBondContact OD1-CB 3.37Å; N96-L98 WeakPolarHBondContact OD1-CG 3.45Å; N96-L98 PolarHBondContact OD1-N 3.09Å; N96-L98 VanDerWaalsContact OD1-N 3.16Å; N96-L99 HydrophobicContact CB-CD1 3.98Å; N96-L99 HydrophobicContact CB-CG 4.26Å; N96-L99 WeakPolarHBondContact O-CB 3.28Å; N96-L99 PolarHBondContact O-N 3.14Å; N96-L99 VanDerWaalsContact O-N 3.09Å
97P80.5Confident88.5Confident37 Ų3731.7 Ų31.724%0.2416%0.156CC..G310 helixtrans-53.4-28.7178.8-33.742.3000115.3L95 L99 L100 V131 H720L95-P97 VanDerWaalsContact O-CD 3.27Å; L95-P97 WeakPolarHBondContact O-CD 3.28Å; P97-L99 PolarHBondContact O-N 2.74Å; P97-L100 PolarHBondContact O-N 2.89Å; P97-L100 VanDerWaalsContact O-N 3.11Å; P97-V131 HydrophobicContact CB-CG2 3.62Å; P97-V131 HydrophobicContact CG-CG2 3.97Å; P97-H720 WeakPolarHBondContact CG-NE2 3.25Å
98L76.9Confident88.7Confident79 Ų7929.9 Ų29.941%0.41415%0.148SC..G310 helixtrans-66-6.8-179.9-58.1176.2000114.1N96 T716 E717N96-L98 PolarHBondContact O-N 3.18Å; N96-L98 VanDerWaalsContact O-N 3.07Å; N96-L98 WeakPolarHBondContact OD1-CB 3.37Å; N96-L98 WeakPolarHBondContact OD1-CG 3.45Å; N96-L98 PolarHBondContact OD1-N 3.09Å; N96-L98 VanDerWaalsContact OD1-N 3.16Å; L98-T716 HydrophobicContact CD2-CG2 4.48Å; L98-E717 HydrophobicContact CD1-CG 3.77Å
99L82.1Confident88.7Confident71 Ų7129.9 Ų29.937%0.37215%0.148SC..G310 helixtrans-97.7-15.9177.4-59171.5000113.1N96 P97 L166 I173N96-L99 HydrophobicContact CB-CD1 3.98Å; N96-L99 HydrophobicContact CB-CG 4.26Å; N96-L99 WeakPolarHBondContact O-CB 3.28Å; N96-L99 PolarHBondContact O-N 3.14Å; N96-L99 VanDerWaalsContact O-N 3.09Å; P97-L99 PolarHBondContact O-N 2.74Å; L99-L166 HydrophobicContact CB-CD1 4.23Å; L99-I173 HydrophobicContact CD1-CB 3.86Å; L99-I173 HydrophobicContact CD1-CD1 3.49Å; L99-I173 VanDerWaalsContact CD1-CD1 3.49Å; L99-I173 HydrophobicContact CD1-CG1 4.28Å; L99-I173 HydrophobicContact CD1-CG2 3.93Å
100L85.1Confident88.5Confident10 Ų1031.5 Ų31.55%0.05216%0.155CC..  trans-73.1126172.2-79.6168.2000109.8P97 D104 Y106 L124 V131 L166P97-L100 PolarHBondContact O-N 2.89Å; P97-L100 VanDerWaalsContact O-N 3.11Å; L100-D104 HydrophobicContact CD2-CB 3.98Å; L100-D104 WeakPolarHBondContact CD2-O 3.44Å; L100-Y106 HydrophobicContact CD1-CD1 4.13Å; L100-Y106 HydrophobicContact CD1-CE1 3.87Å; L100-Y106 HydrophobicContact CD2-CD1 4.05Å; L100-Y106 HydrophobicContact CG-CD1 4.19Å; L100-Y106 HydrophobicContact CG-CE1 4.28Å; L100-L124 HydrophobicContact CB-CB 4.28Å; L100-V131 HydrophobicContact CD1-CG1 3.98Å; L100-V131 HydrophobicContact CD1-CG2 3.88Å; L100-L166 HydrophobicContact CD2-CD1 3.78Å; L100-L166 HydrophobicContact CD2-CG 4.25Å; L100-L166 HydrophobicContact CG-CD1 3.98Å
101R85.3Confident88.1Confident184 Ų18435 Ų3569%0.69418%0.178SC*.  trans-106.4174.4169.2-42.9176.374.8-159.41.1109.4G103 D104R101-G103 PolarHBondContact O-N 3.19Å; R101-D104 WeakPolarHBondContact CA-OD2 3.42Å; R101-D104 WeakPolarHBondContact CB-OD2 3.4Å; R101-D104 VanDerWaalsContact CG-OD2 3.23Å; R101-D104 WeakPolarHBondContact CG-OD2 3.48Å; R101-D104 PolarHBondContact N-OD2 3.46Å; R101-D104 WeakPolarHBondContact O-CB 3.23Å; R101-D104 PolarHBondContact O-N 2.93Å
102Q82.9Confident87.5Confident99 Ų9940.4 Ų40.446%0.46320%0.203SC..THydrogen-bonded Turntrans-66.4115.2-179-169.9169.229.200110.5L128 N160Q102-L128 HydrophobicContact CB-CD2 4.01Å; Q102-L128 HydrophobicContact CG-CD2 3.94Å; Q102-N160 HydrophobicContact CG-CB 3.96Å; Q102-N160 PolarHBondContact NE2-ND2 3.43Å
103G84.2Confident86.4Confident5 Ų548.2 Ų48.25%0.05224%0.24CC..THydrogen-bonded Turntrans90.60.7-173.400000115.2R101 L162 H163 N164R101-G103 PolarHBondContact O-N 3.19Å; G103-L162 WeakPolarHBondContact O-CA 3.24Å; G103-H163 PolarHBondContact O-N 2.89Å; G103-H163 PolarHBondContact O-ND1 3.4Å; G103-N164 PolarHBondContact O-N 2.88Å
104D92.1Very high85.7Confident5 Ų557.3 Ų57.33%0.02728%0.282CS..EExtended strand (participates in β ladder)trans-86.9150165.3-58.9-22.5000110.3L100 R101 N164 L166L100-D104 HydrophobicContact CD2-CB 3.98Å; L100-D104 WeakPolarHBondContact CD2-O 3.44Å; R101-D104 WeakPolarHBondContact CA-OD2 3.42Å; R101-D104 WeakPolarHBondContact CB-OD2 3.4Å; R101-D104 VanDerWaalsContact CG-OD2 3.23Å; R101-D104 WeakPolarHBondContact CG-OD2 3.48Å; R101-D104 PolarHBondContact N-OD2 3.46Å; R101-D104 WeakPolarHBondContact O-CB 3.23Å; R101-D104 PolarHBondContact O-N 2.93Å; D104-N164 CarbonylContact C-O 3.43Å; D104-N164 WeakPolarHBondContact CA-O 3.48Å; D104-N164 WeakPolarHBondContact OD1-CB 3.24Å; D104-N164 PolarHBondContact OD1-ND2 2.92Å; D104-L166 HydrophobicContact CB-CD2 4.14Å; D104-L166 HydrophobicContact CB-CG 4.45Å
105F92.8Very high85Confident0 Ų060.9 Ų60.90%030%0.295CS..EExtended strand (participates in β ladder)trans-140.2172.1168.968.5-78.6000111.2L107 I121 K122 C123 W149 L150 L162 N164 C165 L166 W178F105-L107 HydrophobicContact CD2-CD2 4.43Å; F105-L107 HydrophobicContact CE2-CD2 4.22Å; F105-L107 HydrophobicContact CE2-CG 4.29Å; F105-I121 HydrophobicContact CB-CG2 4.21Å; F105-I121 HydrophobicContact CD2-CG2 4.05Å; F105-I121 HydrophobicContact CG-CG2 4.45Å; F105-K122 CarbonylContact C-O 3.55Å; F105-K122 VanDerWaalsContact CA-O 3.24Å; F105-K122 WeakPolarHBondContact CA-O 3.37Å; F105-C123 HydrophobicContact CB-CB 3.97Å; F105-W149 HydrophobicContact CE2-CH2 4.45Å; F105-W149 HydrophobicContact CE2-CZ3 4.37Å; F105-W149 HydrophobicContact CZ-CZ3 4.49Å; F105-L150 HydrophobicContact CE1-CD1 3.96Å; F105-L150 HydrophobicContact CE1-CD2 4.24Å; F105-L150 HydrophobicContact CZ-CD1 3.99Å; F105-L150 HydrophobicContact CZ-CD2 4.46Å; F105-L162 HydrophobicContact CB-CD1 4.09Å; F105-L162 HydrophobicContact CB-CD2 4.32Å; F105-L162 HydrophobicContact CD1-CB 3.75Å; F105-L162 HydrophobicContact CD1-CD1 4.32Å; F105-L162 HydrophobicContact CD1-CG 4.46Å; F105-L162 HydrophobicContact CE1-CB 4.14Å; F105-L162 HydrophobicContact CG-CB 4.49Å; F105-L162 HydrophobicContact CG-CD1 4.25Å; F105-N164 WeakPolarHBondContact CD1-O 3.33Å; F105-N164 PolarHBondContact N-O 3.23Å; F105-C165 HydrophobicContact CE1-CB 4.28Å; F105-C165 HydrophobicContact CE2-CB 4.18Å; F105-C165 HydrophobicContact CZ-CB 4.02Å; F105-C165 CarbonylContact O-C 3.49Å; F105-C165 VanDerWaalsContact O-CA 3.3Å; F105-C165 WeakPolarHBondContact O-CA 3.39Å; F105-L166 PolarHBondContact O-N 2.98Å; F105-W178 HydrophobicContact CE1-CE3 4.44Å; F105-W178 HydrophobicContact CE2-CE3 4.23Å; F105-W178 HydrophobicContact CE2-CZ3 4.13Å; F105-W178 AromaticContact CZ-CD2 3.9Å; F105-W178 HydrophobicContact CZ-CD2 3.9Å; F105-W178 AromaticContact CZ-CE3 3.54Å; F105-W178 HydrophobicContact CZ-CE3 3.54Å; F105-W178 HydrophobicContact CZ-CG 4.45Å; F105-W178 AromaticContact CZ-CZ3 3.9Å; F105-W178 HydrophobicContact CZ-CZ3 3.9Å
106Y94.4Very high84.7Confident4 Ų462.7 Ų62.72%0.01631%0.308CS..EExtended strand (participates in β ladder)trans-140.4155.4160.766.2-91000111.4L95 L100 Q108 K122 L166L95-Y106 HydrophobicContact CB-CD1 4.2Å; L95-Y106 HydrophobicContact CB-CD2 4.45Å; L95-Y106 HydrophobicContact CB-CE1 3.88Å; L95-Y106 HydrophobicContact CB-CE2 4.13Å; L95-Y106 HydrophobicContact CB-CG 4.47Å; L95-Y106 HydrophobicContact CD1-CD1 4.19Å; L95-Y106 HydrophobicContact CD1-CD2 4.27Å; L95-Y106 HydrophobicContact CD1-CG 3.97Å; L95-Y106 HydrophobicContact CG-CD1 4.38Å; L95-Y106 HydrophobicContact CG-CD2 4.03Å; L95-Y106 HydrophobicContact CG-CE1 4.44Å; L95-Y106 HydrophobicContact CG-CE2 4.09Å; L95-Y106 HydrophobicContact CG-CG 4.17Å; L95-Y106 PolarHBondContact N-OH 3.3Å; L95-Y106 PolarHBondContact O-OH 3.48Å; L100-Y106 HydrophobicContact CD1-CD1 4.13Å; L100-Y106 HydrophobicContact CD1-CE1 3.87Å; L100-Y106 HydrophobicContact CD2-CD1 4.05Å; L100-Y106 HydrophobicContact CG-CD1 4.19Å; L100-Y106 HydrophobicContact CG-CE1 4.28Å; Y106-Q108 HydrophobicContact CD2-CB 4.13Å; Y106-Q108 HydrophobicContact CE2-CB 3.96Å; Y106-Q108 HydrophobicContact CE2-CG 4.5Å; Y106-K122 HydrophobicContact CD1-CB 4.07Å; Y106-K122 HydrophobicContact CD2-CB 4.26Å; Y106-K122 HydrophobicContact CE1-CB 3.78Å; Y106-K122 HydrophobicContact CE1-CD 4.46Å; Y106-K122 HydrophobicContact CE2-CB 3.99Å; Y106-K122 HydrophobicContact CE2-CD 3.71Å; Y106-K122 HydrophobicContact CE2-CG 4.34Å; Y106-K122 HydrophobicContact CG-CB 4.31Å; Y106-K122 PolarHBondContact N-O 3.07Å; Y106-K122 PolarHBondContact O-N 2.87Å; Y106-K122 WeakPolarHBondContact OH-CD 3.46Å; Y106-L166 HydrophobicContact CD1-CD1 4.41Å
107L94.6Very high85.1Confident0 Ų060.2 Ų60.20%030%0.295CS..EExtended strand (participates in β ladder)trans-96128.4173.9-62.3177000109.1V90 H91 F105 I119 I121 L144 F145 W149 W178V90-L107 HydrophobicContact CG2-CB 4.37Å; V90-L107 HydrophobicContact CG2-CD1 4.28Å; H91-L107 PolarHBondContact CD2-O 2.91Å; H91-L107 PolarHBondContact N-O 3.27Å; F105-L107 HydrophobicContact CD2-CD2 4.43Å; F105-L107 HydrophobicContact CE2-CD2 4.22Å; F105-L107 HydrophobicContact CE2-CG 4.29Å; L107-I119 HydrophobicContact CB-CG2 4.28Å; L107-I119 HydrophobicContact CD2-CG2 4.06Å; L107-I121 HydrophobicContact CD2-CG1 4.23Å; L107-L144 HydrophobicContact CD1-CD2 4.35Å; L107-F145 HydrophobicContact CD1-CE1 4.11Å; L107-F145 HydrophobicContact CD1-CZ 4.02Å; L107-W149 HydrophobicContact CD2-CH2 4.07Å; L107-W178 HydrophobicContact CD1-CH2 4.08Å; L107-W178 HydrophobicContact CD1-CZ3 4.28Å
108Q94.6Very high85.6Confident3 Ų359 Ų591%0.01429%0.287CS..EExtended strand (participates in β ladder)trans-133.4135.4174.9-163.3-156.1-44.300111.1H91 L92 Y106 E110 M120H91-Q108 HydrophobicContact CB-CG 4.16Å; H91-Q108 CarbonylContact O-C 3.57Å; H91-Q108 WeakPolarHBondContact O-CA 3.22Å; H91-Q108 VanDerWaalsContact O-CG 3.32Å; H91-Q108 WeakPolarHBondContact O-CG 3.29Å; L92-Q108 PolarHBondContact O-NE2 2.95Å; Y106-Q108 HydrophobicContact CD2-CB 4.13Å; Y106-Q108 HydrophobicContact CE2-CB 3.96Å; Y106-Q108 HydrophobicContact CE2-CG 4.5Å; Q108-E110 PolarHBondContact NE2-OE1 3.14Å; Q108-M120 PolarHBondContact N-O 3.29Å; Q108-M120 PolarHBondContact O-N 3.11Å
109V93.9Very high86.5Confident0 Ų055.2 Ų55.20%027%0.267CS..EExtended strand (participates in β ladder)trans-73.7126.8164.8-168.30000108.6F51 A55 V90 H91 L92 V117 C118 I119F51-V109 HydrophobicContact CE2-CB 4.37Å; F51-V109 HydrophobicContact CE2-CG1 4Å; F51-V109 HydrophobicContact CZ-CB 4.34Å; F51-V109 HydrophobicContact CZ-CG1 4.36Å; A55-V109 HydrophobicContact CB-CG1 3.85Å; V90-V109 HydrophobicContact CG1-CG2 3.97Å; H91-V109 PolarHBondContact O-N 3.26Å; L92-V109 HydrophobicContact CD2-CG2 4.43Å; V109-V117 HydrophobicContact CG1-CB 3.94Å; V109-V117 HydrophobicContact CG1-CG1 4.2Å; V109-C118 WeakPolarHBondContact CA-O 3.44Å; V109-I119 HydrophobicContact CG2-CG1 4.48Å
110E90.4Very high86.9Confident33 Ų3352.9 Ų52.915%0.15426%0.255CS..EExtended strand (participates in β ladder)trans-119.5144.4168.7-58.1-150.5114.500109.7Q108 V117 C118 M120 K122 K133Q108-E110 PolarHBondContact NE2-OE1 3.14Å; E110-V117 WeakPolarHBondContact O-CA 3.4Å; E110-C118 PolarHBondContact N-O 2.85Å; E110-C118 PolarHBondContact O-N 2.65Å; E110-C118 VanDerWaalsContact O-N 3.07Å; E110-M120 HydrophobicContact CB-CG 3.87Å; E110-M120 HydrophobicContact CG-CB 4.27Å; E110-M120 HydrophobicContact CG-CG 3.68Å; E110-K122 IonicContact OE1-NZ 3.44Å; E110-K122 PolarHBondContact OE1-NZ 3.5Å; E110-K122 WeakPolarHBondContact OE2-CE 3.06Å; E110-K122 IonicContact OE2-NZ 2.71Å; E110-K122 PolarHBondContact OE2-NZ 2.94Å; E110-K122 VanDerWaalsContact OE2-NZ 3.1Å; E110-K133 IonicContact OE1-NZ 2.69Å; E110-K133 WeakPolarHBondContact OE2-CE 3.24Å; E110-K133 IonicContact OE2-NZ 3.5Å; E110-K133 PolarHBondContact OE2-NZ 3.46Å
111P86.9Confident87.3Confident75 Ų7552.5 Ų52.549%0.48725%0.253SS..EExtended strand (participates in β ladder)trans-67143.6168.229.4-32.6000109.8F51F51-P111 HydrophobicContact CD2-CB 4.07Å; F51-P111 HydrophobicContact CD2-CG 4.25Å
112Q81.1Confident87.6Confident112 Ų11244.1 Ų44.152%0.52322%0.221SC..  trans-116.6175.9174.5175170.1-20.700108.4S116 C118Q112-S116 VanDerWaalsContact CB-OG 3.31Å; Q112-S116 WeakPolarHBondContact CB-OG 3.32Å; Q112-S116 WeakPolarHBondContact CG-OG 3.37Å; Q112-S116 PolarHBondContact N-O 3.22Å; Q112-C118 PolarHBondContact OE1-SG 2.85Å
113E68.9Low87.9Confident164 Ų16439.5 Ų39.577%0.76620%0.2SC*.G310 helixtrans-58.3158.5175.7-63.3175.2-170.700111.3Q115 S116E113-Q115 PolarHBondContact O-N 2.83Å; E113-S116 WeakPolarHBondContact O-CB 3.32Å; E113-S116 PolarHBondContact O-N 3.23Å; E113-S116 PolarHBondContact O-OG 2.66Å
114E73.8Confident87.9Confident191 Ų19140.7 Ų40.789%0.89321%0.205SC*.G310 helixtrans62.133.9177.4-48.7-17114700116.2S116E114-S116 PolarHBondContact O-N 2.92Å; E114-S116 VanDerWaalsContact O-N 3.11Å
115Q73.7Confident87.4Confident130 Ų13041.3 Ų41.361%0.60721%0.21SC*.G310 helixtrans59.416.7-177.2-58.7175.5-58.700114D50 E113D50-Q115 PolarHBondContact OD1-NE2 2.9Å; E113-Q115 PolarHBondContact O-N 2.83Å
116S82.1Confident86.5Confident45 Ų4546.4 Ų46.432%0.31524%0.237SC..  trans-82.1166.2173.769.10000111.6Q112 E113 E114Q112-S116 VanDerWaalsContact CB-OG 3.31Å; Q112-S116 WeakPolarHBondContact CB-OG 3.32Å; Q112-S116 WeakPolarHBondContact CG-OG 3.37Å; Q112-S116 PolarHBondContact N-O 3.22Å; E113-S116 WeakPolarHBondContact O-CB 3.32Å; E113-S116 PolarHBondContact O-N 3.23Å; E113-S116 PolarHBondContact O-OG 2.66Å; E114-S116 PolarHBondContact O-N 2.92Å; E114-S116 VanDerWaalsContact O-N 3.11Å
117V90.8Very high85.3Confident18 Ų1849.3 Ų49.311%0.10925%0.252CS..EExtended strand (participates in β ladder)trans-137.4148.3176.4-76.40000109.3F51 P54 A55 L58 V109 E110F51-V117 HydrophobicContact CD2-CG1 4.01Å; F51-V117 HydrophobicContact CE2-CG1 4.4Å; P54-V117 VanDerWaalsContact C-CG2 3.45Å; P54-V117 HydrophobicContact CB-CB 4.4Å; P54-V117 HydrophobicContact CB-CG1 3.84Å; P54-V117 HydrophobicContact CB-CG2 3.69Å; A55-V117 HydrophobicContact CB-CG1 4.44Å; L58-V117 HydrophobicContact CB-CG2 4.03Å; L58-V117 HydrophobicContact CD2-CB 4.34Å; L58-V117 HydrophobicContact CD2-CG2 3.84Å; V109-V117 HydrophobicContact CG1-CB 3.94Å; V109-V117 HydrophobicContact CG1-CG1 4.2Å; E110-V117 WeakPolarHBondContact O-CA 3.4Å
118C91.8Very high84.1Confident10 Ų1053.1 Ų53.17%0.06827%0.272CS..EExtended strand (participates in β ladder)trans-137156.4172.8590000111.6V109 E110 Q112 M120 Y141V109-C118 WeakPolarHBondContact CA-O 3.44Å; E110-C118 PolarHBondContact N-O 2.85Å; E110-C118 PolarHBondContact O-N 2.65Å; E110-C118 VanDerWaalsContact O-N 3.07Å; Q112-C118 PolarHBondContact OE1-SG 2.85Å; C118-M120 VanDerWaalsContact SG-SD 3.67Å; C118-Y141 WeakPolarHBondContact CA-OH 3.43Å
119I94Very high82.6Confident1 Ų156.4 Ų56.41%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-84.5122.8170.4-65.4172.2000107.9L58 V62 L107 V109 V136 Y141 L144L58-I119 HydrophobicContact CD2-CG1 4.1Å; V62-I119 HydrophobicContact CG2-CD1 3.96Å; L107-I119 HydrophobicContact CB-CG2 4.28Å; L107-I119 HydrophobicContact CD2-CG2 4.06Å; V109-I119 HydrophobicContact CG2-CG1 4.48Å; I119-V136 HydrophobicContact CB-CB 4.39Å; I119-V136 HydrophobicContact CB-CG2 4.29Å; I119-V136 HydrophobicContact CG2-CG2 4.02Å; I119-V136 WeakPolarHBondContact O-CB 3.31Å; I119-V136 WeakPolarHBondContact O-CG2 3.41Å; I119-V136 PolarHBondContact O-N 3.46Å; I119-Y141 HydrophobicContact CB-CE1 4.18Å; I119-Y141 HydrophobicContact CD1-CD1 4.46Å; I119-Y141 HydrophobicContact CD1-CE1 4.32Å; I119-Y141 HydrophobicContact CG1-CE1 4.35Å; I119-L144 HydrophobicContact CD1-CD2 3.66Å
120M92.1Very high81.7Confident21 Ų2159.1 Ų59.110%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-101.3126175.2-59.9-60-6500109.5Q108 E110 C118 K133 P135Q108-M120 PolarHBondContact N-O 3.29Å; Q108-M120 PolarHBondContact O-N 3.11Å; E110-M120 HydrophobicContact CB-CG 3.87Å; E110-M120 HydrophobicContact CG-CB 4.27Å; E110-M120 HydrophobicContact CG-CG 3.68Å; C118-M120 VanDerWaalsContact SG-SD 3.67Å; M120-K133 HydrophobicContact CE-CB 3.76Å; M120-K133 HydrophobicContact CE-CD 4.33Å; M120-P135 HydrophobicContact CE-CB 4.04Å; M120-P135 VanDerWaalsContact SD-CA 3.55Å; M120-P135 HydrophobicContact SD-CB 3.66Å
121I92.4Very high81.4Confident2 Ų259.5 Ų59.51%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-76.5129.1162.4-47.7172.9000107.3F105 L107 K133 K134 V136 W149 I153 L162F105-I121 HydrophobicContact CB-CG2 4.21Å; F105-I121 HydrophobicContact CD2-CG2 4.05Å; F105-I121 HydrophobicContact CG-CG2 4.45Å; L107-I121 HydrophobicContact CD2-CG1 4.23Å; I121-K133 WeakPolarHBondContact O-CA 3.46Å; I121-K134 HydrophobicContact CB-CB 4.4Å; I121-K134 PolarHBondContact N-O 3.38Å; I121-K134 PolarHBondContact O-N 2.84Å; I121-V136 HydrophobicContact CD1-CG2 4.15Å; I121-V136 HydrophobicContact CG1-CG2 3.73Å; I121-W149 HydrophobicContact CD1-CH2 3.79Å; I121-W149 HydrophobicContact CD1-CZ2 3.55Å; I121-W149 HydrophobicContact CG1-CH2 4.1Å; I121-W149 HydrophobicContact CG1-CZ2 4.03Å; I121-I153 HydrophobicContact CD1-CD1 3.77Å; I121-I153 HydrophobicContact CD1-CG1 4.02Å; I121-I153 HydrophobicContact CD1-CG2 4.01Å; I121-L162 HydrophobicContact CG2-CD1 4.27Å
122K91.4Very high81.3Confident8 Ų858.8 Ų58.84%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-122.5114.7174.5-70-173.2178.5-179.90110.3F105 Y106 E110 V131 D132 K133F105-K122 CarbonylContact C-O 3.55Å; F105-K122 VanDerWaalsContact CA-O 3.24Å; F105-K122 WeakPolarHBondContact CA-O 3.37Å; Y106-K122 HydrophobicContact CD1-CB 4.07Å; Y106-K122 HydrophobicContact CD2-CB 4.26Å; Y106-K122 HydrophobicContact CE1-CB 3.78Å; Y106-K122 HydrophobicContact CE1-CD 4.46Å; Y106-K122 HydrophobicContact CE2-CB 3.99Å; Y106-K122 HydrophobicContact CE2-CD 3.71Å; Y106-K122 HydrophobicContact CE2-CG 4.34Å; Y106-K122 HydrophobicContact CG-CB 4.31Å; Y106-K122 PolarHBondContact N-O 3.07Å; Y106-K122 PolarHBondContact O-N 2.87Å; Y106-K122 WeakPolarHBondContact OH-CD 3.46Å; E110-K122 IonicContact OE1-NZ 3.44Å; E110-K122 PolarHBondContact OE1-NZ 3.5Å; E110-K122 WeakPolarHBondContact OE2-CE 3.06Å; E110-K122 IonicContact OE2-NZ 2.71Å; E110-K122 PolarHBondContact OE2-NZ 2.94Å; E110-K122 VanDerWaalsContact OE2-NZ 3.1Å; K122-V131 HydrophobicContact CB-CG1 3.85Å; K122-V131 HydrophobicContact CG-CG1 4.36Å; K122-D132 WeakPolarHBondContact CA-O 3.28Å; K122-K133 HydrophobicContact CG-CG 4.32Å
123C88.8Confident81.7Confident3 Ų359.2 Ų59.22%0.0231%0.308CS..EExtended strand (participates in β ladder)trans-132.3165.4-176.856.90000111F105 V131 D132 L162F105-C123 HydrophobicContact CB-CB 3.97Å; C123-V131 CarbonylContact O-C 3.55Å; C123-V131 VanDerWaalsContact O-CA 3.32Å; C123-V131 WeakPolarHBondContact O-CA 3.33Å; C123-V131 WeakPolarHBondContact O-CG1 3.28Å; C123-D132 PolarHBondContact N-O 2.92Å; C123-D132 VanDerWaalsContact N-O 3.16Å; C123-D132 PolarHBondContact O-N 2.91Å; C123-L162 HydrophobicContact CB-CD1 4.19Å; C123-L162 HydrophobicContact CB-CD2 3.66Å
124L85.4Confident82.6Confident30 Ų3054.4 Ų54.416%0.15728%0.284CS..EExtended strand (participates in β ladder)trans-79.3129.2177.6-168.166.3000110.7L100 L128L100-L124 HydrophobicContact CB-CB 4.28Å; L124-L128 HydrophobicContact CD2-CB 4.29Å; L124-L128 HydrophobicContact CD2-CD2 3.59Å; L124-L128 HydrophobicContact CG-CD2 4.11Å
125S81.2Confident83.3Confident17 Ų1748.7 Ų48.712%0.11926%0.264CS..  trans-66.7166.4-177.9-163.90000113.7D127 L128 T130 D132S125-D127 PolarHBondContact O-N 2.95Å; S125-L128 WeakPolarHBondContact O-CA 3.4Å; S125-L128 PolarHBondContact O-N 3.48Å; S125-T130 VanDerWaalsContact CB-O 3.29Å; S125-T130 WeakPolarHBondContact CB-O 3.44Å; S125-T130 WeakPolarHBondContact CB-OG1 3.41Å; S125-T130 PolarHBondContact N-O 3.36Å; S125-D132 VanDerWaalsContact CA-OD2 3.3Å; S125-D132 WeakPolarHBondContact CA-OD2 3.49Å; S125-D132 VanDerWaalsContact CB-OD1 3.3Å; S125-D132 WeakPolarHBondContact CB-OD1 3.41Å; S125-D132 WeakPolarHBondContact CB-OD2 3.32Å; S125-D132 PolarHBondContact OG-OD1 2.72Å; S125-D132 VanDerWaalsContact OG-OD1 3.13Å; S125-D132 PolarHBondContact OG-OD2 3.26Å
126L74.8Confident84Confident108 Ų10842.7 Ų42.757%0.56524%0.236SC*.THydrogen-bonded Turntrans-52.8-29.8168.8-84.5172.1000113.5L128 E158L126-L128 PolarHBondContact O-N 2.75Å; L126-E158 HydrophobicContact CD1-CB 4.38Å
127D68.2Low84.2Confident65 Ų6544 Ų4435%0.34824%0.244SC..THydrogen-bonded Turntrans-79.4-3.4176.794-27.5000114S125 C129 T130 R575S125-D127 PolarHBondContact O-N 2.95Å; D127-C129 PolarHBondContact O-N 3.44Å; D127-C129 VanDerWaalsContact O-N 3.09Å; D127-C129 PolarHBondContact O-SG 3.26Å; D127-C129 WeakPolarHBondContact OD1-CA 3.49Å; D127-C129 PolarHBondContact OD1-N 3.36Å; D127-T130 PolarHBondContact OD1-N 2.88Å; D127-T130 PolarHBondContact OD1-OG1 3.25Å; D127-R575 IonicContact OD2-CZ 3.92Å; D127-R575 IonicContact OD2-NH1 2.71Å; D127-R575 PolarHBondContact OD2-NH1 3.4Å; D127-R575 IonicContact OD2-NH2 3.75Å; D127-R575 PolarHBondContact OD2-NH2 3.07Å
128L70.6Confident83.9Confident80 Ų8050.1 Ų50.142%0.41927%0.271SS..SBendtrans54.218.7-175.3-59.2176.4000115.1Q102 L124 S125 L126Q102-L128 HydrophobicContact CB-CD2 4.01Å; Q102-L128 HydrophobicContact CG-CD2 3.94Å; L124-L128 HydrophobicContact CD2-CB 4.29Å; L124-L128 HydrophobicContact CD2-CD2 3.59Å; L124-L128 HydrophobicContact CG-CD2 4.11Å; S125-L128 WeakPolarHBondContact O-CA 3.4Å; S125-L128 PolarHBondContact O-N 3.48Å; L126-L128 PolarHBondContact O-N 2.75Å
129C62.3Low83.6Confident71 Ų7154.9 Ų54.948%0.4830%0.302SS..SBendtrans-141.1-7.3-171.5-58.50000114.6D127 R575D127-C129 PolarHBondContact O-N 3.44Å; D127-C129 VanDerWaalsContact O-N 3.09Å; D127-C129 PolarHBondContact O-SG 3.26Å; D127-C129 WeakPolarHBondContact OD1-CA 3.49Å; D127-C129 PolarHBondContact OD1-N 3.36Å; C129-R575 VanDerWaalsContact C-NH2 3.32Å; C129-R575 PolarHBondContact O-NH2 2.73Å
130T75.8Confident83.4Confident58 Ų5855.5 Ų55.536%0.35631%0.307SS..SBendtrans-114.2154.6162.954.70000111.2S125 D127S125-T130 VanDerWaalsContact CB-O 3.29Å; S125-T130 WeakPolarHBondContact CB-O 3.44Å; S125-T130 WeakPolarHBondContact CB-OG1 3.41Å; S125-T130 PolarHBondContact N-O 3.36Å; D127-T130 PolarHBondContact OD1-N 2.88Å; D127-T130 PolarHBondContact OD1-OG1 3.25Å
131V83.7Confident83.2Confident40 Ų4055 Ų5524%0.24230%0.304CS..EExtended strand (participates in β ladder)trans-97.2115.7168.7177.60000107.7P97 L100 K122 C123P97-V131 HydrophobicContact CB-CG2 3.62Å; P97-V131 HydrophobicContact CG-CG2 3.97Å; L100-V131 HydrophobicContact CD1-CG1 3.98Å; L100-V131 HydrophobicContact CD1-CG2 3.88Å; K122-V131 HydrophobicContact CB-CG1 3.85Å; K122-V131 HydrophobicContact CG-CG1 4.36Å; C123-V131 CarbonylContact O-C 3.55Å; C123-V131 VanDerWaalsContact O-CA 3.32Å; C123-V131 WeakPolarHBondContact O-CA 3.33Å; C123-V131 WeakPolarHBondContact O-CG1 3.28Å
132D84.1Confident83Confident61 Ų6158.5 Ų58.533%0.32633%0.327SS..EExtended strand (participates in β ladder)trans-80.5135176.1-68.4-14.3000109.1K122 C123 S125K122-D132 WeakPolarHBondContact CA-O 3.28Å; C123-D132 PolarHBondContact N-O 2.92Å; C123-D132 VanDerWaalsContact N-O 3.16Å; C123-D132 PolarHBondContact O-N 2.91Å; S125-D132 VanDerWaalsContact CA-OD2 3.3Å; S125-D132 WeakPolarHBondContact CA-OD2 3.49Å; S125-D132 VanDerWaalsContact CB-OD1 3.3Å; S125-D132 WeakPolarHBondContact CB-OD1 3.41Å; S125-D132 WeakPolarHBondContact CB-OD2 3.32Å; S125-D132 PolarHBondContact OG-OD1 2.72Å; S125-D132 VanDerWaalsContact OG-OD1 3.13Å; S125-D132 PolarHBondContact OG-OD2 3.26Å
133K89.2Confident82.9Confident121 Ų12161.5 Ų61.553%0.52634%0.343SS..EExtended strand (participates in β ladder)trans-108.4114.5178.6-62.4-166.4-179.5-164.80109E110 M120 I121 K122E110-K133 IonicContact OE1-NZ 2.69Å; E110-K133 WeakPolarHBondContact OE2-CE 3.24Å; E110-K133 IonicContact OE2-NZ 3.5Å; E110-K133 PolarHBondContact OE2-NZ 3.46Å; M120-K133 HydrophobicContact CE-CB 3.76Å; M120-K133 HydrophobicContact CE-CD 4.33Å; I121-K133 WeakPolarHBondContact O-CA 3.46Å; K122-K133 HydrophobicContact CG-CG 4.32Å
134K87.6Confident83Confident62 Ų6261.3 Ų61.327%0.2734%0.342SS..EExtended strand (participates in β ladder)trans-110.6116.9170.8-172.3173.6179.21790108.6I121 I153 D156I121-K134 HydrophobicContact CB-CB 4.4Å; I121-K134 PolarHBondContact N-O 3.38Å; I121-K134 PolarHBondContact O-N 2.84Å; K134-I153 HydrophobicContact CD-CD1 4.29Å; K134-D156 VanDerWaalsContact NZ-CB 3.26Å; K134-D156 IonicContact NZ-OD2 2.7Å; K134-D156 PolarHBondContact NZ-OD2 3.46Å
135P89.5Confident83.2Confident72 Ų7260.4 Ų60.447%0.46834%0.337SS..EExtended strand (participates in β ladder)trans-65.4139.6172.128-32.8000109.6M120M120-P135 HydrophobicContact CE-CB 4.04Å; M120-P135 VanDerWaalsContact SD-CA 3.55Å; M120-P135 HydrophobicContact SD-CB 3.66Å
136V88.8Confident83.6Confident3 Ų361.7 Ų61.72%0.01834%0.343CS..PPolyproline II helixtrans-78.9121.6167.1-179.60000107.7I119 I121 A140 Y141 L144 W149I119-V136 HydrophobicContact CB-CB 4.39Å; I119-V136 HydrophobicContact CB-CG2 4.29Å; I119-V136 HydrophobicContact CG2-CG2 4.02Å; I119-V136 WeakPolarHBondContact O-CB 3.31Å; I119-V136 WeakPolarHBondContact O-CG2 3.41Å; I119-V136 PolarHBondContact O-N 3.46Å; I121-V136 HydrophobicContact CD1-CG2 4.15Å; I121-V136 HydrophobicContact CG1-CG2 3.73Å; V136-A140 HydrophobicContact CG1-CB 3.82Å; V136-Y141 HydrophobicContact CB-CD1 4.48Å; V136-Y141 HydrophobicContact CB-CE1 4.03Å; V136-Y141 HydrophobicContact CG1-CD1 3.84Å; V136-Y141 HydrophobicContact CG1-CE1 3.86Å; V136-L144 HydrophobicContact CB-CD1 4.45Å; V136-L144 HydrophobicContact CG1-CD1 3.88Å; V136-L144 HydrophobicContact CG2-CD1 3.89Å; V136-W149 HydrophobicContact CG2-CZ2 4.04Å
137P85.1Confident84.2Confident73 Ų7359.9 Ų59.947%0.47433%0.332SS..PPolyproline II helixtrans-70.5143.1174.730.5-34.5000110P139 A140P137-P139 VanDerWaalsContact C-CD 3.47Å; P137-P139 HydrophobicContact CB-CG 4.43Å; P137-A140 HydrophobicContact CG-CB 4.08Å; P137-A140 WeakPolarHBondContact O-CB 3.29Å; P137-A140 PolarHBondContact O-N 3.44Å
138E85.6Confident85.1Confident146 Ų14663.5 Ų63.568%0.68235%0.347SS*.G310 helixtrans-46.9-44.4-177.6-54.2-173.3146.600116.1A140 Y141E138-A140 PolarHBondContact O-N 3.32Å; E138-Y141 HydrophobicContact CB-CD2 4.17Å; E138-Y141 HydrophobicContact CB-CE2 3.97Å; E138-Y141 HydrophobicContact CG-CE2 3.89Å; E138-Y141 WeakPolarHBondContact O-CB 3.43Å; E138-Y141 WeakPolarHBondContact O-CD2 3.32Å; E138-Y141 PolarHBondContact O-N 3.04Å
139P85.8Confident86.1Confident111 Ų11160 Ų6072%0.72133%0.328SS*.G310 helixtrans-64-11.3176.824.6-36.4000114.9P137 P142P137-P139 VanDerWaalsContact C-CD 3.47Å; P137-P139 HydrophobicContact CB-CG 4.43Å; P139-P142 WeakPolarHBondContact O-CD 3.43Å
140A88.1Confident87.4Confident14 Ų1456.8 Ų56.812%0.11631%0.306CS..G310 helixtrans-89.4-10.4173.500000113.4V136 P137 E138 P142 I143 L144V136-A140 HydrophobicContact CG1-CB 3.82Å; P137-A140 HydrophobicContact CG-CB 4.08Å; P137-A140 WeakPolarHBondContact O-CB 3.29Å; P137-A140 PolarHBondContact O-N 3.44Å; E138-A140 PolarHBondContact O-N 3.32Å; A140-P142 VanDerWaalsContact C-CD 3.5Å; A140-I143 HydrophobicContact CB-CG1 4.42Å; A140-I143 CarbonylContact O-C 3.59Å; A140-I143 VanDerWaalsContact O-CG1 3.28Å; A140-I143 WeakPolarHBondContact O-CG1 3.46Å; A140-I143 PolarHBondContact O-N 3.47Å; A140-L144 PolarHBondContact O-N 3.13Å
141Y89.1Confident88Confident10 Ų1058.8 Ų58.84%0.03931%0.312CS..G310 helixtrans-57-40.1177.2-66.8-29000114.4L58 V62 C118 I119 V136 E138 I143 L144L58-Y141 HydrophobicContact CD1-CD1 4.39Å; L58-Y141 HydrophobicContact CD1-CD2 3.62Å; L58-Y141 HydrophobicContact CD1-CE1 4.13Å; L58-Y141 HydrophobicContact CD1-CE2 3.3Å; L58-Y141 HydrophobicContact CD1-CG 4.18Å; V62-Y141 HydrophobicContact CG2-CD1 4.21Å; V62-Y141 HydrophobicContact CG2-CG 4.07Å; C118-Y141 WeakPolarHBondContact CA-OH 3.43Å; I119-Y141 HydrophobicContact CB-CE1 4.18Å; I119-Y141 HydrophobicContact CD1-CD1 4.46Å; I119-Y141 HydrophobicContact CD1-CE1 4.32Å; I119-Y141 HydrophobicContact CG1-CE1 4.35Å; V136-Y141 HydrophobicContact CB-CD1 4.48Å; V136-Y141 HydrophobicContact CB-CE1 4.03Å; V136-Y141 HydrophobicContact CG1-CD1 3.84Å; V136-Y141 HydrophobicContact CG1-CE1 3.86Å; E138-Y141 HydrophobicContact CB-CD2 4.17Å; E138-Y141 HydrophobicContact CB-CE2 3.97Å; E138-Y141 HydrophobicContact CG-CE2 3.89Å; E138-Y141 WeakPolarHBondContact O-CB 3.43Å; E138-Y141 WeakPolarHBondContact O-CD2 3.32Å; E138-Y141 PolarHBondContact O-N 3.04Å; Y141-I143 VanDerWaalsContact C-N 3.26Å; Y141-I143 PolarHBondContact O-N 3.47Å; Y141-L144 WeakPolarHBondContact O-CB 3.48Å; Y141-L144 PolarHBondContact O-N 3.48Å
142P88.3Confident88.2Confident75 Ų7559.4 Ų59.449%0.48732%0.321SS..G310 helixtrans-67.7-24.2179-21.534.8000114.4A65 P139 A140A65-P142 HydrophobicContact CB-CB 4.12Å; P139-P142 WeakPolarHBondContact O-CD 3.43Å; A140-P142 VanDerWaalsContact C-CD 3.5Å
143I88.9Confident88.3Confident71 Ų7157.1 Ų57.136%0.36431%0.308SS..G310 helixtrans-1032.4178.460.9168.6000112.7A140 Y141 F145 T146 W149A140-I143 HydrophobicContact CB-CG1 4.42Å; A140-I143 CarbonylContact O-C 3.59Å; A140-I143 VanDerWaalsContact O-CG1 3.28Å; A140-I143 WeakPolarHBondContact O-CG1 3.46Å; A140-I143 PolarHBondContact O-N 3.47Å; Y141-I143 VanDerWaalsContact C-N 3.26Å; Y141-I143 PolarHBondContact O-N 3.47Å; I143-F145 PolarHBondContact O-N 3.19Å; I143-T146 HydrophobicContact CB-CG2 4.3Å; I143-T146 PolarHBondContact O-N 3.06Å; I143-T146 PolarHBondContact O-OG1 3.37Å; I143-T146 VanDerWaalsContact O-OG1 3.11Å; I143-W149 HydrophobicContact CB-CB 4.45Å; I143-W149 HydrophobicContact CD1-CB 4.26Å; I143-W149 HydrophobicContact CG1-CB 4.21Å; I143-W149 HydrophobicContact CG1-CG 4.49Å; I143-W149 WeakPolarHBondContact O-CB 3.07Å
144L90.6Very high88.2Confident0 Ų053 Ų530%029%0.292CS..THydrogen-bonded Turntrans-52.3-36-169.9-174.177.7000112.9V62 L107 I119 V136 A140 Y141 W149 W178V62-L144 HydrophobicContact CG1-CB 4.39Å; V62-L144 HydrophobicContact CG1-CD2 3.65Å; L107-L144 HydrophobicContact CD1-CD2 4.35Å; I119-L144 HydrophobicContact CD1-CD2 3.66Å; V136-L144 HydrophobicContact CB-CD1 4.45Å; V136-L144 HydrophobicContact CG1-CD1 3.88Å; V136-L144 HydrophobicContact CG2-CD1 3.89Å; A140-L144 PolarHBondContact O-N 3.13Å; Y141-L144 WeakPolarHBondContact O-CB 3.48Å; Y141-L144 PolarHBondContact O-N 3.48Å; L144-W149 HydrophobicContact CD1-CD2 4.4Å; L144-W149 HydrophobicContact CD1-CH2 4.14Å; L144-W149 HydrophobicContact CD1-CZ2 3.52Å; L144-W149 VanDerWaalsContact O-CE3 3.24Å; L144-W178 VanDerWaalsContact O-CZ2 3.23Å; L144-W178 WeakPolarHBondContact O-CZ2 3.29Å
145F90.6Very high88Confident11 Ų1155.1 Ų55.15%0.04832%0.315CS..THydrogen-bonded Turntrans-103.133.5-178.9-71.4-75.7000113.8V62 A66 P81 V89 V90 L107 I143 W178 I181 T182V62-F145 HydrophobicContact CG1-CD2 3.91Å; V62-F145 HydrophobicContact CG1-CE2 3.64Å; A66-F145 HydrophobicContact CB-CB 4.27Å; A66-F145 HydrophobicContact CB-CD2 4.35Å; P81-F145 HydrophobicContact CB-CB 4.22Å; P81-F145 HydrophobicContact CB-CD1 3.65Å; P81-F145 HydrophobicContact CB-CD2 3.6Å; P81-F145 HydrophobicContact CB-CE1 3.8Å; P81-F145 HydrophobicContact CB-CE2 3.72Å; P81-F145 HydrophobicContact CB-CG 3.54Å; P81-F145 HydrophobicContact CB-CZ 3.83Å; P81-F145 HydrophobicContact CG-CB 4.43Å; P81-F145 HydrophobicContact CG-CD1 4.27Å; P81-F145 HydrophobicContact CG-CD2 3.24Å; P81-F145 HydrophobicContact CG-CE1 4.36Å; P81-F145 HydrophobicContact CG-CE2 3.34Å; P81-F145 HydrophobicContact CG-CG 3.73Å; P81-F145 HydrophobicContact CG-CZ 3.92Å; V89-F145 HydrophobicContact CG1-CE1 4.09Å; V90-F145 HydrophobicContact CG2-CE2 4.46Å; V90-F145 HydrophobicContact CG2-CZ 3.73Å; L107-F145 HydrophobicContact CD1-CE1 4.11Å; L107-F145 HydrophobicContact CD1-CZ 4.02Å; I143-F145 PolarHBondContact O-N 3.19Å; F145-W178 AromaticContact CD1-CH2 3.5Å; F145-W178 HydrophobicContact CD1-CH2 3.5Å; F145-W178 HydrophobicContact CD1-CZ2 4.08Å; F145-W178 HydrophobicContact CD1-CZ3 4.22Å; F145-W178 AromaticContact CE1-CH2 3.67Å; F145-W178 HydrophobicContact CE1-CH2 3.67Å; F145-W178 HydrophobicContact CE1-CZ3 4.12Å; F145-W178 HydrophobicContact CG-CH2 4.46Å; F145-I181 HydrophobicContact CD1-CG2 4.14Å; F145-I181 HydrophobicContact CE1-CG2 4.1Å; F145-T182 WeakPolarHBondContact O-CB 3.44Å; F145-T182 WeakPolarHBondContact O-CG2 3.24Å
146T88.5Confident87.4Confident43 Ų4357.1 Ų57.126%0.26432%0.321SS..SBendtrans-104.1165.7168.576.10000112.2I143 E148 W149 W178I143-T146 HydrophobicContact CB-CG2 4.3Å; I143-T146 PolarHBondContact O-N 3.06Å; I143-T146 PolarHBondContact O-OG1 3.37Å; I143-T146 VanDerWaalsContact O-OG1 3.11Å; T146-E148 PolarHBondContact OG1-N 3.22Å; T146-W149 PolarHBondContact OG1-N 2.86Å; T146-W149 VanDerWaalsContact OG1-N 3.08Å; T146-W178 PolarHBondContact O-NE1 3.03Å
147Q88Confident86.8Confident70 Ų7059.2 Ų59.233%0.32733%0.331SS..Hα-helixtrans-70.7-38.6169.1-179.460.522.400111.1W149 L150 E151Q147-W149 VanDerWaalsContact C-N 3.3Å; Q147-W149 PolarHBondContact O-N 3.19Å; Q147-L150 PolarHBondContact O-N 3.45Å; Q147-L150 VanDerWaalsContact O-N 3.15Å; Q147-E151 VanDerWaalsContact CG-OE1 3.3Å; Q147-E151 WeakPolarHBondContact CG-OE1 3.25Å; Q147-E151 PolarHBondContact NE2-OE1 3.21Å; Q147-E151 PolarHBondContact O-N 3.11Å
148E87.7Confident85.8Confident142 Ų14264.5 Ų64.566%0.66435%0.349SS*.Hα-helixtrans-57.8-39.4179.1-56.6174.2169.800112.4T146 E151 A152T146-E148 PolarHBondContact OG1-N 3.22Å; E148-E151 PolarHBondContact O-N 3.34Å; E148-A152 WeakPolarHBondContact O-CB 3.47Å; E148-A152 PolarHBondContact O-N 3.31Å
149W90.9Very high85Confident5 Ų558.8 Ų58.82%0.01933%0.329CS..Hα-helixtrans-63.3-44176.6171.387.3000112.2F105 L107 I121 V136 I143 L144 T146 Q147 E151 A152 I153 W178F105-W149 HydrophobicContact CE2-CH2 4.45Å; F105-W149 HydrophobicContact CE2-CZ3 4.37Å; F105-W149 HydrophobicContact CZ-CZ3 4.49Å; L107-W149 HydrophobicContact CD2-CH2 4.07Å; I121-W149 HydrophobicContact CD1-CH2 3.79Å; I121-W149 HydrophobicContact CD1-CZ2 3.55Å; I121-W149 HydrophobicContact CG1-CH2 4.1Å; I121-W149 HydrophobicContact CG1-CZ2 4.03Å; V136-W149 HydrophobicContact CG2-CZ2 4.04Å; I143-W149 HydrophobicContact CB-CB 4.45Å; I143-W149 HydrophobicContact CD1-CB 4.26Å; I143-W149 HydrophobicContact CG1-CB 4.21Å; I143-W149 HydrophobicContact CG1-CG 4.49Å; I143-W149 WeakPolarHBondContact O-CB 3.07Å; L144-W149 HydrophobicContact CD1-CD2 4.4Å; L144-W149 HydrophobicContact CD1-CH2 4.14Å; L144-W149 HydrophobicContact CD1-CZ2 3.52Å; L144-W149 VanDerWaalsContact O-CE3 3.24Å; T146-W149 PolarHBondContact OG1-N 2.86Å; T146-W149 VanDerWaalsContact OG1-N 3.08Å; Q147-W149 VanDerWaalsContact C-N 3.3Å; Q147-W149 PolarHBondContact O-N 3.19Å; W149-E151 VanDerWaalsContact C-N 3.32Å; W149-E151 PolarHBondContact O-N 3.5Å; W149-A152 PolarHBondContact O-N 3.46Å; W149-I153 HydrophobicContact CD2-CG1 4.2Å; W149-I153 HydrophobicContact CH2-CG1 4.46Å; W149-I153 HydrophobicContact CZ2-CD1 4.49Å; W149-I153 HydrophobicContact CZ2-CG1 3.96Å; W149-I153 WeakPolarHBondContact O-CG1 3.4Å; W149-I153 PolarHBondContact O-N 3.44Å; W149-W178 AromaticContact CE3-CZ2 3.82Å; W149-W178 HydrophobicContact CE3-CZ2 3.82Å; W149-W178 HydrophobicContact CZ3-CH2 4.14Å; W149-W178 AromaticContact CZ3-CZ2 3.75Å; W149-W178 HydrophobicContact CZ3-CZ2 3.75Å
150L90.1Very high84.5Confident4 Ų457 Ų572%0.02131%0.314CS..Hα-helixtrans-69.2-33.9178.2-173.262.2000111.4F105 Q147 I153 N154 L162 W178F105-L150 HydrophobicContact CE1-CD1 3.96Å; F105-L150 HydrophobicContact CE1-CD2 4.24Å; F105-L150 HydrophobicContact CZ-CD1 3.99Å; F105-L150 HydrophobicContact CZ-CD2 4.46Å; Q147-L150 PolarHBondContact O-N 3.45Å; Q147-L150 VanDerWaalsContact O-N 3.15Å; L150-I153 PolarHBondContact O-N 2.88Å; L150-N154 VanDerWaalsContact O-CB 3.25Å; L150-N154 WeakPolarHBondContact O-CB 3.45Å; L150-N154 VanDerWaalsContact O-CG 3.23Å; L150-N154 PolarHBondContact O-N 3.46Å; L150-N154 PolarHBondContact O-ND2 3.4Å; L150-L162 HydrophobicContact CD1-CB 3.88Å; L150-L162 WeakPolarHBondContact CD2-O 3.45Å; L150-W178 HydrophobicContact CD2-CB 3.59Å; L150-W178 HydrophobicContact CD2-CD2 4.22Å; L150-W178 HydrophobicContact CD2-CG 3.39Å
151E88.6Confident84.3Confident101 Ų10160.2 Ų60.247%0.47233%0.333SS..Hα-helixtrans-68.1-37.1174.3-72.6174-171.800112.3Q147 E148 W149 S155Q147-E151 VanDerWaalsContact CG-OE1 3.3Å; Q147-E151 WeakPolarHBondContact CG-OE1 3.25Å; Q147-E151 PolarHBondContact NE2-OE1 3.21Å; Q147-E151 PolarHBondContact O-N 3.11Å; E148-E151 PolarHBondContact O-N 3.34Å; W149-E151 VanDerWaalsContact C-N 3.32Å; W149-E151 PolarHBondContact O-N 3.5Å; E151-S155 WeakPolarHBondContact O-CB 3.5Å; E151-S155 PolarHBondContact O-N 2.72Å; E151-S155 PolarHBondContact O-OG 2.92Å
152A86.5Confident84.3Confident52 Ų5260 Ų6043%0.4333%0.332SS..Hα-helixtrans-65.3-47.5170.300000111.7E148 W149 N154 S155 D156E148-A152 WeakPolarHBondContact O-CB 3.47Å; E148-A152 PolarHBondContact O-N 3.31Å; W149-A152 PolarHBondContact O-N 3.46Å; A152-N154 VanDerWaalsContact C-N 3.3Å; A152-N154 PolarHBondContact O-N 3.49Å; A152-S155 WeakPolarHBondContact O-CB 3.18Å; A152-S155 PolarHBondContact O-N 2.91Å; A152-S155 VanDerWaalsContact O-N 3.1Å; A152-D156 PolarHBondContact O-N 3Å; A152-D156 VanDerWaalsContact O-N 3.14Å
153I86.5Confident84.3Confident13 Ų1360.9 Ų60.97%0.06733%0.33CS..Hα-helixtrans-60-39.7176.2-70-64.8000111.6I121 K134 W149 L150 D156 F157 L162I121-I153 HydrophobicContact CD1-CD1 3.77Å; I121-I153 HydrophobicContact CD1-CG1 4.02Å; I121-I153 HydrophobicContact CD1-CG2 4.01Å; K134-I153 HydrophobicContact CD-CD1 4.29Å; W149-I153 HydrophobicContact CD2-CG1 4.2Å; W149-I153 HydrophobicContact CH2-CG1 4.46Å; W149-I153 HydrophobicContact CZ2-CD1 4.49Å; W149-I153 HydrophobicContact CZ2-CG1 3.96Å; W149-I153 WeakPolarHBondContact O-CG1 3.4Å; W149-I153 PolarHBondContact O-N 3.44Å; L150-I153 PolarHBondContact O-N 2.88Å; I153-D156 PolarHBondContact O-N 3.5Å; I153-F157 WeakPolarHBondContact O-CB 3.41Å; I153-F157 PolarHBondContact O-N 3.4Å; I153-L162 HydrophobicContact CG2-CD1 4.18Å
154N88.1Confident84.5Confident36 Ų3658.9 Ų58.919%0.19332%0.32CS..Hα-helixtrans-71.1-29.1175.7-77.4-25.7000113.1L150 A152 D156 F157 P161 L162L150-N154 VanDerWaalsContact O-CB 3.25Å; L150-N154 WeakPolarHBondContact O-CB 3.45Å; L150-N154 VanDerWaalsContact O-CG 3.23Å; L150-N154 PolarHBondContact O-N 3.46Å; L150-N154 PolarHBondContact O-ND2 3.4Å; A152-N154 VanDerWaalsContact C-N 3.3Å; A152-N154 PolarHBondContact O-N 3.49Å; N154-D156 VanDerWaalsContact C-N 3.32Å; N154-F157 PolarHBondContact O-N 3.34Å; N154-F157 VanDerWaalsContact O-N 3.17Å; N154-P161 HydrophobicContact CB-CB 4.4Å; N154-P161 WeakPolarHBondContact OD1-CA 3.27Å; N154-L162 PolarHBondContact ND2-O 3.37Å; N154-L162 WeakPolarHBondContact OD1-CB 3.41Å; N154-L162 PolarHBondContact OD1-N 3.11Å
155S82.4Confident84.6Confident105 Ų10558.9 Ų58.973%0.73432%0.32SS*.Hα-helixtrans-69.4-30.7174.2-60.50000112.4E151 A152 F157E151-S155 WeakPolarHBondContact O-CB 3.5Å; E151-S155 PolarHBondContact O-N 2.72Å; E151-S155 PolarHBondContact O-OG 2.92Å; A152-S155 WeakPolarHBondContact O-CB 3.18Å; A152-S155 PolarHBondContact O-N 2.91Å; A152-S155 VanDerWaalsContact O-N 3.1Å; S155-F157 VanDerWaalsContact C-N 3.3Å
156D77.4Confident84.8Confident114 Ų11458.5 Ų58.561%0.6132%0.318SS*.THydrogen-bonded Turntrans-77.5-9.6170.4-72.1-12.7000113.5K134 A152 I153 N154K134-D156 VanDerWaalsContact NZ-CB 3.26Å; K134-D156 IonicContact NZ-OD2 2.7Å; K134-D156 PolarHBondContact NZ-OD2 3.46Å; A152-D156 PolarHBondContact O-N 3Å; A152-D156 VanDerWaalsContact O-N 3.14Å; I153-D156 PolarHBondContact O-N 3.5Å; N154-D156 VanDerWaalsContact C-N 3.32Å
157F76.1Confident85Confident48 Ų4856.5 Ų56.521%0.21131%0.306CS..  trans-98.8111.1-165.2-153.5-112.4000111.6I153 N154 S155 G159 N160 L162I153-F157 WeakPolarHBondContact O-CB 3.41Å; I153-F157 PolarHBondContact O-N 3.4Å; N154-F157 PolarHBondContact O-N 3.34Å; N154-F157 VanDerWaalsContact O-N 3.17Å; S155-F157 VanDerWaalsContact C-N 3.3Å; F157-G159 PolarHBondContact O-N 3Å; F157-N160 WeakPolarHBondContact CD1-O 3.42Å; F157-L162 HydrophobicContact CE1-CD2 4.29Å; F157-L162 HydrophobicContact CZ-CD2 4.49Å
158E65.3Low85.3Confident183 Ų18353.4 Ų53.486%0.85529%0.293SS*.SBendtrans-67.33.5175.7-57.9-171.1156.800114L126L126-E158 HydrophobicContact CD1-CB 4.38Å
159G68.3Low85.5Confident26 Ų2647.6 Ų47.627%0.26827%0.268SS..SBendtrans-106.6-150.4-174.500000115.1F157F157-G159 PolarHBondContact O-N 3Å
160N74.6Confident85.2Confident75 Ų7554.8 Ų54.840%0.40130%0.301SS..SBendtrans-87.4139.9173.8-72.8-113.5000108.6Q102 F157 L162Q102-N160 HydrophobicContact CG-CB 3.96Å; Q102-N160 PolarHBondContact NE2-ND2 3.43Å; F157-N160 WeakPolarHBondContact CD1-O 3.42Å; N160-L162 PolarHBondContact O-N 2.91Å
161P84.3Confident84.8Confident80 Ų8061.6 Ų61.652%0.51934%0.338SS..PPolyproline II helixtrans-61.4129.7-177.324.6-33.7000111.2N154 H163N154-P161 HydrophobicContact CB-CB 4.4Å; N154-P161 WeakPolarHBondContact OD1-CA 3.27Å; P161-H163 PolarHBondContact O-ND1 3.39Å
162L88.8Confident84.7Confident5 Ų558.5 Ų58.53%0.02633%0.333CS..PPolyproline II helixtrans-65.6132.2171.7-56.7-175.6000108.6G103 F105 I121 C123 L150 I153 N154 F157 N160G103-L162 WeakPolarHBondContact O-CA 3.24Å; F105-L162 HydrophobicContact CB-CD1 4.09Å; F105-L162 HydrophobicContact CB-CD2 4.32Å; F105-L162 HydrophobicContact CD1-CB 3.75Å; F105-L162 HydrophobicContact CD1-CD1 4.32Å; F105-L162 HydrophobicContact CD1-CG 4.46Å; F105-L162 HydrophobicContact CE1-CB 4.14Å; F105-L162 HydrophobicContact CG-CB 4.49Å; F105-L162 HydrophobicContact CG-CD1 4.25Å; I121-L162 HydrophobicContact CG2-CD1 4.27Å; C123-L162 HydrophobicContact CB-CD1 4.19Å; C123-L162 HydrophobicContact CB-CD2 3.66Å; L150-L162 HydrophobicContact CD1-CB 3.88Å; L150-L162 WeakPolarHBondContact CD2-O 3.45Å; I153-L162 HydrophobicContact CG2-CD1 4.18Å; N154-L162 PolarHBondContact ND2-O 3.37Å; N154-L162 WeakPolarHBondContact OD1-CB 3.41Å; N154-L162 PolarHBondContact OD1-N 3.11Å; F157-L162 HydrophobicContact CE1-CD2 4.29Å; F157-L162 HydrophobicContact CZ-CD2 4.49Å; N160-L162 PolarHBondContact O-N 2.91Å
163H88.4Confident84.9Confident95 Ų9558.8 Ų58.844%0.4433%0.327SS..  trans-146.9-24.1-174.361.1-81.6000114.6G103 P161 W178G103-H163 PolarHBondContact O-N 2.89Å; G103-H163 PolarHBondContact O-ND1 3.4Å; P161-H163 PolarHBondContact O-ND1 3.39Å; H163-W178 PolarHBondContact O-N 2.86Å
164N92.5Very high85.2Confident29 Ų2960 Ų6016%0.15534%0.339CS..EExtended strand (participates in β ladder)trans-113.4135.2170.3-42.7-56.3000110.4G103 D104 F105 P175 V176G103-N164 PolarHBondContact O-N 2.88Å; D104-N164 CarbonylContact C-O 3.43Å; D104-N164 WeakPolarHBondContact CA-O 3.48Å; D104-N164 WeakPolarHBondContact OD1-CB 3.24Å; D104-N164 PolarHBondContact OD1-ND2 2.92Å; F105-N164 WeakPolarHBondContact CD1-O 3.33Å; F105-N164 PolarHBondContact N-O 3.23Å; N164-P175 HydrophobicContact CB-CB 3.89Å; N164-V176 CarbonylContact C-O 3.57Å; N164-V176 WeakPolarHBondContact CA-O 3.46Å
165C93.6Very high85.3Confident0 Ų061.5 Ų61.50%035%0.35CS..EExtended strand (participates in β ladder)trans-94133.9163.5-168.90000108.6F105 V176 W178 I181F105-C165 HydrophobicContact CE1-CB 4.28Å; F105-C165 HydrophobicContact CE2-CB 4.18Å; F105-C165 HydrophobicContact CZ-CB 4.02Å; F105-C165 CarbonylContact O-C 3.49Å; F105-C165 VanDerWaalsContact O-CA 3.3Å; F105-C165 WeakPolarHBondContact O-CA 3.39Å; C165-V176 PolarHBondContact N-O 3.11Å; C165-V176 PolarHBondContact O-N 3.33Å; C165-W178 HydrophobicContact CB-CE3 3.97Å; C165-W178 HydrophobicContact CB-CZ3 4.23Å; C165-I181 HydrophobicContact CB-CD1 3.63Å
166L94.2Very high85.8Confident2 Ų257 Ų571%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-73.8127.3169.4-55.8-176.6000108.9H91 L95 L99 L100 D104 F105 Y106 I173 A174 P175H91-L166 PolarHBondContact NE2-O 3.48Å; L95-L166 HydrophobicContact CD1-CB 3.95Å; L95-L166 HydrophobicContact CD1-CD1 4.37Å; L99-L166 HydrophobicContact CB-CD1 4.23Å; L100-L166 HydrophobicContact CD2-CD1 3.78Å; L100-L166 HydrophobicContact CD2-CG 4.25Å; L100-L166 HydrophobicContact CG-CD1 3.98Å; D104-L166 HydrophobicContact CB-CD2 4.14Å; D104-L166 HydrophobicContact CB-CG 4.45Å; F105-L166 PolarHBondContact O-N 2.98Å; Y106-L166 HydrophobicContact CD1-CD1 4.41Å; L166-I173 HydrophobicContact CB-CG2 4.04Å; L166-I173 HydrophobicContact CD1-CG2 4.31Å; L166-A174 WeakPolarHBondContact CA-O 3.31Å; L166-P175 HydrophobicContact CD2-CB 3.87Å
167V93.6Very high86.5Confident1 Ų154.6 Ų54.61%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-110.7159.3171.4-52.70000109.9E87 V88 V89 I173 A174 V176 I181E87-V167 HydrophobicContact CB-CB 4.14Å; E87-V167 HydrophobicContact CB-CG2 3.84Å; E87-V167 HydrophobicContact CG-CG2 4.17Å; V88-V167 CarbonylContact O-C 3.52Å; V88-V167 VanDerWaalsContact O-CA 3.24Å; V88-V167 WeakPolarHBondContact O-CA 3.45Å; V88-V167 WeakPolarHBondContact O-CB 3.21Å; V89-V167 HydrophobicContact CG2-CG1 3.9Å; V167-I173 CarbonylContact O-C 3.47Å; V167-I173 VanDerWaalsContact O-CA 3.25Å; V167-I173 WeakPolarHBondContact O-CA 3.33Å; V167-A174 PolarHBondContact N-O 3.07Å; V167-A174 PolarHBondContact O-N 3.15Å; V167-V176 HydrophobicContact CB-CG2 4.45Å; V167-V176 HydrophobicContact CG1-CB 4.12Å; V167-V176 HydrophobicContact CG1-CG2 4Å; V167-V176 HydrophobicContact CG2-CG2 3.57Å; V167-I181 HydrophobicContact CG1-CD1 4.2Å
168A92.8Very high87.3Confident6 Ų652.4 Ų52.45%0.0530%0.299CS..EExtended strand (participates in β ladder)trans-124.1129.7178.500000112T27 V88 G172 I173T27-A168 HydrophobicContact CG2-CB 3.59Å; T27-A168 WeakPolarHBondContact CG2-O 3.44Å; V88-A168 WeakPolarHBondContact CB-O 3.47Å; V88-A168 PolarHBondContact N-O 3.18Å; V88-A168 PolarHBondContact O-N 3.08Å; A168-G172 WeakPolarHBondContact CA-O 3.27Å; A168-I173 HydrophobicContact CB-CG1 3.86Å
169S92.2Very high88.4Confident20 Ų2047.7 Ų47.714%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-132.4179.8174.566.50000111D86 N171 G172D86-S169 WeakPolarHBondContact O-CA 3.36Å; D86-S169 WeakPolarHBondContact O-CB 3.31Å; D86-S169 WeakPolarHBondContact OD2-CB 3.43Å; S169-N171 PolarHBondContact O-N 2.65Å; S169-N171 VanDerWaalsContact O-N 3.16Å; S169-G172 PolarHBondContact N-O 2.8Å; S169-G172 PolarHBondContact O-N 3.16Å; S169-G172 VanDerWaalsContact O-O 3.07Å
170E84.4Confident89.4Confident155 Ų15550 Ų5072%0.72429%0.286SS*.THydrogen-bonded Turntrans-56.6-30.5175.3-173.2179.5-16200112.1G172E170-G172 VanDerWaalsContact C-N 3.27Å; E170-G172 PolarHBondContact O-N 3.11Å
171N83Confident90.1Very high148 Ų14846.4 Ų46.479%0.79127%0.267SS*.THydrogen-bonded Turntrans-77.4-9-179.4-64-73.9000113.8S169S169-N171 PolarHBondContact O-N 2.65Å; S169-N171 VanDerWaalsContact O-N 3.16Å
172G86Confident90.3Very high35 Ų3543.5 Ų43.536%0.36125%0.248SC..EExtended strand (participates in β ladder)trans129.1-150.5179.900000113.1A168 S169 E170A168-G172 WeakPolarHBondContact CA-O 3.27Å; S169-G172 PolarHBondContact N-O 2.8Å; S169-G172 PolarHBondContact O-N 3.16Å; S169-G172 VanDerWaalsContact O-O 3.07Å; E170-G172 VanDerWaalsContact C-N 3.27Å; E170-G172 PolarHBondContact O-N 3.11Å
173I91.6Very high90.1Very high59 Ų5946.2 Ų46.230%0.30327%0.267SS..EExtended strand (participates in β ladder)trans-117.6132178.4-69.2159.2000108L95 L99 L166 V167 A168L95-I173 HydrophobicContact CB-CD1 4.49Å; L95-I173 HydrophobicContact CD1-CD1 4.39Å; L95-I173 HydrophobicContact CD1-CG2 4.08Å; L95-I173 HydrophobicContact CD2-CD1 3.92Å; L95-I173 HydrophobicContact CD2-CG1 4.49Å; L99-I173 HydrophobicContact CD1-CB 3.86Å; L99-I173 HydrophobicContact CD1-CD1 3.49Å; L99-I173 VanDerWaalsContact CD1-CD1 3.49Å; L99-I173 HydrophobicContact CD1-CG1 4.28Å; L99-I173 HydrophobicContact CD1-CG2 3.93Å; L166-I173 HydrophobicContact CB-CG2 4.04Å; L166-I173 HydrophobicContact CD1-CG2 4.31Å; V167-I173 CarbonylContact O-C 3.47Å; V167-I173 VanDerWaalsContact O-CA 3.25Å; V167-I173 WeakPolarHBondContact O-CA 3.33Å; A168-I173 HydrophobicContact CB-CG1 3.86Å
174A91Very high89.9Confident38 Ų3842.5 Ų42.531%0.31425%0.251SS..EExtended strand (participates in β ladder)trans-135.2142.2-174.500000111.7L166 V167L166-A174 WeakPolarHBondContact CA-O 3.31Å; V167-A174 PolarHBondContact N-O 3.07Å; V167-A174 PolarHBondContact O-N 3.15Å
175P92.1Very high89.6Confident68 Ų6844.8 Ų44.844%0.44226%0.261SS..EExtended strand (participates in β ladder)trans-74.9126.7169.830.2-32.2000110.5N164 L166N164-P175 HydrophobicContact CB-CB 3.89Å; L166-P175 HydrophobicContact CD2-CB 3.87Å
176V91.8Very high89.3Confident9 Ų948.2 Ų48.26%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-116.9128174.3173.20000108.8N164 C165 V167 W178 K180 I181N164-V176 CarbonylContact C-O 3.57Å; N164-V176 WeakPolarHBondContact CA-O 3.46Å; C165-V176 PolarHBondContact N-O 3.11Å; C165-V176 PolarHBondContact O-N 3.33Å; V167-V176 HydrophobicContact CB-CG2 4.45Å; V167-V176 HydrophobicContact CG1-CB 4.12Å; V167-V176 HydrophobicContact CG1-CG2 4Å; V167-V176 HydrophobicContact CG2-CG2 3.57Å; V176-W178 PolarHBondContact O-N 3.04Å; V176-K180 HydrophobicContact CG1-CB 4.13Å; V176-K180 HydrophobicContact CG1-CD 3.54Å; V176-K180 HydrophobicContact CG1-CG 4.46Å; V176-I181 HydrophobicContact CB-CD1 4.29Å; V176-I181 HydrophobicContact CG1-CD1 4.06Å; V176-I181 HydrophobicContact CG1-CG1 3.77Å
177P91.9Very high88.8Confident64 Ų6451.2 Ų51.242%0.41629%0.294SS..EExtended strand (participates in β ladder)trans-56.6132.5176.3-26.235.3000111.3T179 K180P177-T179 PolarHBondContact O-N 3.17Å; P177-T179 VanDerWaalsContact O-N 3.14Å; P177-K180 WeakPolarHBondContact O-CB 3.46Å; P177-K180 PolarHBondContact O-N 2.87Å
178W92.7Very high87.8Confident2 Ų255.9 Ų55.91%0.00832%0.319CS..Hα-helixtrans-55.6-36.6-175.4-176-115.2000113F105 L107 L144 F145 T146 W149 L150 H163 C165 V176 K180 I181 T182F105-W178 HydrophobicContact CE1-CE3 4.44Å; F105-W178 HydrophobicContact CE2-CE3 4.23Å; F105-W178 HydrophobicContact CE2-CZ3 4.13Å; F105-W178 AromaticContact CZ-CD2 3.9Å; F105-W178 HydrophobicContact CZ-CD2 3.9Å; F105-W178 AromaticContact CZ-CE3 3.54Å; F105-W178 HydrophobicContact CZ-CE3 3.54Å; F105-W178 HydrophobicContact CZ-CG 4.45Å; F105-W178 AromaticContact CZ-CZ3 3.9Å; F105-W178 HydrophobicContact CZ-CZ3 3.9Å; L107-W178 HydrophobicContact CD1-CH2 4.08Å; L107-W178 HydrophobicContact CD1-CZ3 4.28Å; L144-W178 VanDerWaalsContact O-CZ2 3.23Å; L144-W178 WeakPolarHBondContact O-CZ2 3.29Å; F145-W178 AromaticContact CD1-CH2 3.5Å; F145-W178 HydrophobicContact CD1-CH2 3.5Å; F145-W178 HydrophobicContact CD1-CZ2 4.08Å; F145-W178 HydrophobicContact CD1-CZ3 4.22Å; F145-W178 AromaticContact CE1-CH2 3.67Å; F145-W178 HydrophobicContact CE1-CH2 3.67Å; F145-W178 HydrophobicContact CE1-CZ3 4.12Å; F145-W178 HydrophobicContact CG-CH2 4.46Å; T146-W178 PolarHBondContact O-NE1 3.03Å; W149-W178 AromaticContact CE3-CZ2 3.82Å; W149-W178 HydrophobicContact CE3-CZ2 3.82Å; W149-W178 HydrophobicContact CZ3-CH2 4.14Å; W149-W178 AromaticContact CZ3-CZ2 3.75Å; W149-W178 HydrophobicContact CZ3-CZ2 3.75Å; L150-W178 HydrophobicContact CD2-CB 3.59Å; L150-W178 HydrophobicContact CD2-CD2 4.22Å; L150-W178 HydrophobicContact CD2-CG 3.39Å; H163-W178 PolarHBondContact O-N 2.86Å; C165-W178 HydrophobicContact CB-CE3 3.97Å; C165-W178 HydrophobicContact CB-CZ3 4.23Å; V176-W178 PolarHBondContact O-N 3.04Å; W178-K180 PolarHBondContact O-N 3.41Å; W178-I181 HydrophobicContact CE3-CB 4.19Å; W178-I181 HydrophobicContact CE3-CD1 4.12Å; W178-I181 HydrophobicContact CE3-CG2 4.43Å; W178-I181 HydrophobicContact CZ3-CB 4.44Å; W178-I181 HydrophobicContact CZ3-CD1 4.38Å; W178-I181 HydrophobicContact CZ3-CG2 4.18Å; W178-I181 WeakPolarHBondContact O-CA 3.45Å; W178-I181 WeakPolarHBondContact O-CB 3.39Å; W178-I181 PolarHBondContact O-N 3.14Å; W178-T182 HydrophobicContact CD2-CG2 3.94Å; W178-T182 HydrophobicContact CG-CG2 4.15Å; W178-T182 HydrophobicContact CZ2-CG2 3.76Å; W178-T182 PolarHBondContact O-N 2.87Å; W178-T182 PolarHBondContact O-OG1 3.04Å
179T89.4Confident85.9Confident85 Ų8561.6 Ų61.652%0.52135%0.349SS..Hα-helixtrans-59-25.3176.551.60000114.3P177 S183P177-T179 PolarHBondContact O-N 3.17Å; P177-T179 VanDerWaalsContact O-N 3.14Å; T179-S183 WeakPolarHBondContact O-CB 3.41Å; T179-S183 PolarHBondContact O-N 2.86Å; T179-S183 PolarHBondContact O-OG 3.36Å
180K89.4Confident83.7Confident73 Ų7369.6 Ų69.632%0.31738%0.376SS..Hα-helixtrans-78.8-27172.4-169.8-136.2170.9-168.40111.8E87 V176 P177 W178 S183E87-K180 IonicContact OE2-NZ 3.46Å; E87-K180 PolarHBondContact OE2-NZ 3.16Å; V176-K180 HydrophobicContact CG1-CB 4.13Å; V176-K180 HydrophobicContact CG1-CD 3.54Å; V176-K180 HydrophobicContact CG1-CG 4.46Å; P177-K180 WeakPolarHBondContact O-CB 3.46Å; P177-K180 PolarHBondContact O-N 2.87Å; W178-K180 PolarHBondContact O-N 3.41Å; K180-S183 WeakPolarHBondContact CA-OG 3.5Å; K180-S183 PolarHBondContact O-OG 3.16Å
181I89.1Confident81.7Confident0 Ų067.5 Ų67.50%038%0.376CS..Hα-helixtrans-82-41.8-179.5-52.9-171.1000110.1W80 L84 V89 F145 C165 V167 V176 W178 S183W80-I181 PolarHBondContact NE1-O 3.18Å; L84-I181 HydrophobicContact CD1-CG1 4.33Å; V89-I181 HydrophobicContact CG1-CD1 4.04Å; V89-I181 HydrophobicContact CG1-CG2 3.88Å; V89-I181 HydrophobicContact CG2-CD1 4.41Å; V89-I181 HydrophobicContact CG2-CG2 4.36Å; F145-I181 HydrophobicContact CD1-CG2 4.14Å; F145-I181 HydrophobicContact CE1-CG2 4.1Å; C165-I181 HydrophobicContact CB-CD1 3.63Å; V167-I181 HydrophobicContact CG1-CD1 4.2Å; V176-I181 HydrophobicContact CB-CD1 4.29Å; V176-I181 HydrophobicContact CG1-CD1 4.06Å; V176-I181 HydrophobicContact CG1-CG1 3.77Å; W178-I181 HydrophobicContact CE3-CB 4.19Å; W178-I181 HydrophobicContact CE3-CD1 4.12Å; W178-I181 HydrophobicContact CE3-CG2 4.43Å; W178-I181 HydrophobicContact CZ3-CB 4.44Å; W178-I181 HydrophobicContact CZ3-CD1 4.38Å; W178-I181 HydrophobicContact CZ3-CG2 4.18Å; W178-I181 WeakPolarHBondContact O-CA 3.45Å; W178-I181 WeakPolarHBondContact O-CB 3.39Å; W178-I181 PolarHBondContact O-N 3.14Å; I181-S183 VanDerWaalsContact C-N 3.3Å; I181-S183 PolarHBondContact O-N 2.82Å
182T88.2Confident79.6Confident20 Ų2069.6 Ų69.612%0.12338%0.381CS..SBendtrans-77.4-13177.359.20000113.8F145 W178 P184F145-T182 WeakPolarHBondContact O-CB 3.44Å; F145-T182 WeakPolarHBondContact O-CG2 3.24Å; W178-T182 HydrophobicContact CD2-CG2 3.94Å; W178-T182 HydrophobicContact CG-CG2 4.15Å; W178-T182 HydrophobicContact CZ2-CG2 3.76Å; W178-T182 PolarHBondContact O-N 2.87Å; W178-T182 PolarHBondContact O-OG1 3.04Å; T182-P184 WeakPolarHBondContact O-CD 3.38Å
183S84.5Confident77.3Confident61 Ų6174.4 Ų74.443%0.42740%0.403SS..SBendtrans-9198.9167.167.10000111T179 K180 I181 E185T179-S183 WeakPolarHBondContact O-CB 3.41Å; T179-S183 PolarHBondContact O-N 2.86Å; T179-S183 PolarHBondContact O-OG 3.36Å; K180-S183 WeakPolarHBondContact CA-OG 3.5Å; K180-S183 PolarHBondContact O-OG 3.16Å; I181-S183 VanDerWaalsContact C-N 3.3Å; I181-S183 PolarHBondContact O-N 2.82Å; S183-E185 PolarHBondContact O-N 3.39Å
184P85.1Confident74.8Confident17 Ų1777.6 Ų77.611%0.1143%0.425CS..  trans-63128.9172.424.1-33.3000111.5Y70 F75 W80 T182 F186Y70-P184 HydrophobicContact CD1-CG 4.34Å; Y70-P184 HydrophobicContact CD2-CG 4.08Å; Y70-P184 HydrophobicContact CE1-CG 4.03Å; Y70-P184 HydrophobicContact CE2-CG 3.76Å; Y70-P184 HydrophobicContact CG-CG 4.34Å; F75-P184 HydrophobicContact CD1-CB 3.77Å; F75-P184 HydrophobicContact CE1-CB 3.63Å; F75-P184 HydrophobicContact CE1-CG 4.33Å; W80-P184 HydrophobicContact CD2-CB 4.03Å; W80-P184 HydrophobicContact CE3-CB 4.46Å; W80-P184 HydrophobicContact CG-CB 4.48Å; W80-P184 HydrophobicContact CH2-CB 4.45Å; W80-P184 HydrophobicContact CH2-CG 4.35Å; W80-P184 HydrophobicContact CZ2-CB 4.02Å; W80-P184 HydrophobicContact CZ2-CG 4.1Å; T182-P184 WeakPolarHBondContact O-CD 3.38Å; P184-F186 HydrophobicContact CB-CE1 3.99Å; P184-F186 HydrophobicContact CB-CE2 4.2Å; P184-F186 HydrophobicContact CB-CZ 3.68Å; P184-F186 HydrophobicContact CG-CE1 4.2Å; P184-F186 HydrophobicContact CG-CE2 3.82Å; P184-F186 HydrophobicContact CG-CZ 3.41Å; P184-F186 VanDerWaalsContact CG-CZ 3.41Å; P184-F186 WeakPolarHBondContact O-CE2 3.23Å
185E84.6Confident72.2Confident77 Ų7783.2 Ų83.236%0.3645%0.45SS..  trans-78.5136.6167-66.3-176.1-166.900109.4L76 H77 S183L76-E185 HydrophobicContact CB-CB 3.94Å; L76-E185 WeakPolarHBondContact CB-O 3.31Å; L76-E185 HydrophobicContact CD2-CB 3.99Å; L76-E185 WeakPolarHBondContact CD2-OE2 3.28Å; L76-E185 PolarHBondContact N-O 3.16Å; H77-E185 IonicContact CE1-OE2 3.33Å; H77-E185 IonicContact NE2-OE2 3.78Å; S183-E185 PolarHBondContact O-N 3.39Å
186F87.2Confident69.5Low73 Ų7384.1 Ų84.132%0.3246%0.462SS..BIsolated β-bridgetrans-118.4155.5-178.3-61.2-65.8000112.5Y70 C73 L74 F75 P184Y70-F186 HydrophobicContact CD1-CE2 4.25Å; Y70-F186 AromaticContact CD1-CZ 3.56Å; Y70-F186 HydrophobicContact CD1-CZ 3.56Å; Y70-F186 HydrophobicContact CE1-CZ 4.17Å; Y70-F186 HydrophobicContact CG-CE1 4.41Å; Y70-F186 AromaticContact CG-CZ 3.79Å; Y70-F186 HydrophobicContact CG-CZ 3.79Å; C73-F186 HydrophobicContact CB-CD1 3.48Å; C73-F186 VanDerWaalsContact CB-CD1 3.48Å; C73-F186 HydrophobicContact CB-CE1 3.39Å; C73-F186 HydrophobicContact CB-CG 4.13Å; C73-F186 HydrophobicContact CB-CZ 3.97Å; L74-F186 CarbonylContact O-C 3.56Å; L74-F186 VanDerWaalsContact O-CA 3.32Å; L74-F186 WeakPolarHBondContact O-CA 3.36Å; F75-F186 HydrophobicContact CD1-CD1 4.22Å; F75-F186 AromaticContact CD1-CE1 3.7Å; F75-F186 HydrophobicContact CD1-CE1 3.7Å; F75-F186 AromaticContact CE1-CE1 3.73Å; F75-F186 HydrophobicContact CE1-CE1 3.73Å; F75-F186 HydrophobicContact CE1-CZ 4.34Å; F75-F186 HydrophobicContact CG-CD1 4.43Å; F75-F186 HydrophobicContact CG-CE1 4.19Å; F75-F186 HydrophobicContact CZ-CE1 4.24Å; P184-F186 HydrophobicContact CB-CE1 3.99Å; P184-F186 HydrophobicContact CB-CE2 4.2Å; P184-F186 HydrophobicContact CB-CZ 3.68Å; P184-F186 HydrophobicContact CG-CE1 4.2Å; P184-F186 HydrophobicContact CG-CE2 3.82Å; P184-F186 HydrophobicContact CG-CZ 3.41Å; P184-F186 VanDerWaalsContact CG-CZ 3.41Å; P184-F186 WeakPolarHBondContact O-CE2 3.23Å
187V84Confident67.1Low65 Ų6591.6 Ų91.639%0.39450%0.502SS..  trans-77.6119.6171.3-1760000109.1L74 L76 D189L74-V187 HydrophobicContact CB-CB 4.3Å; L74-V187 HydrophobicContact CB-CG2 4.49Å; L74-V187 PolarHBondContact O-N 3.05Å; L76-V187 HydrophobicContact CB-CG2 4.39Å; L76-V187 HydrophobicContact CD1-CG2 4Å; V187-D189 PolarHBondContact O-N 3.31Å
188D72.9Confident64Low98 Ų9894.3 Ų94.352%0.52452%0.521SS..  trans-84.390.7175.6-170.41000110.5R190D188-R190 PolarHBondContact O-N 2.86Å; D188-R190 VanDerWaalsContact O-N 3.09Å; D188-R190 VanDerWaalsContact OD1-CB 3.25Å; D188-R190 WeakPolarHBondContact OD1-CB 3.44Å; D188-R190 VanDerWaalsContact OD1-CG 3.23Å; D188-R190 WeakPolarHBondContact OD1-CG 3.34Å; D188-R190 IonicContact OD1-CZ 3.63Å; D188-R190 PolarHBondContact OD1-N 2.85Å; D188-R190 IonicContact OD1-NE 2.8Å; D188-R190 PolarHBondContact OD1-NE 3.19Å; D188-R190 IonicContact OD1-NH2 3.66Å; D188-R190 IonicContact OD2-CZ 3.33Å; D188-R190 IonicContact OD2-NE 3.15Å; D188-R190 PolarHBondContact OD2-NE 3.14Å; D188-R190 VanDerWaalsContact OD2-NE 3.15Å; D188-R190 IonicContact OD2-NH2 2.69Å; D188-R190 PolarHBondContact OD2-NH2 3.07Å
189D53.4Low61Low127 Ų127103 Ų10368%0.67956%0.561SS**  trans-70.36.8177.8-96.3-14.3000114.1V187 P191V187-D189 PolarHBondContact O-N 3.31Å; D189-P191 VanDerWaalsContact O-CD 3.26Å; D189-P191 WeakPolarHBondContact O-CD 3.45Å
190R45.3Very low58.3Low188 Ų188102.7 Ų102.771%0.70957%0.568SS**  trans-66.4115.8170.7-69179.8-66.1-171.21.1109.3D188 Q192D188-R190 PolarHBondContact O-N 2.86Å; D188-R190 VanDerWaalsContact O-N 3.09Å; D188-R190 VanDerWaalsContact OD1-CB 3.25Å; D188-R190 WeakPolarHBondContact OD1-CB 3.44Å; D188-R190 VanDerWaalsContact OD1-CG 3.23Å; D188-R190 WeakPolarHBondContact OD1-CG 3.34Å; D188-R190 IonicContact OD1-CZ 3.63Å; D188-R190 PolarHBondContact OD1-N 2.85Å; D188-R190 IonicContact OD1-NE 2.8Å; D188-R190 PolarHBondContact OD1-NE 3.19Å; D188-R190 IonicContact OD1-NH2 3.66Å; D188-R190 IonicContact OD2-CZ 3.33Å; D188-R190 IonicContact OD2-NE 3.15Å; D188-R190 PolarHBondContact OD2-NE 3.14Å; D188-R190 VanDerWaalsContact OD2-NE 3.15Å; D188-R190 IonicContact OD2-NH2 2.69Å; D188-R190 PolarHBondContact OD2-NH2 3.07Å; R190-Q192 PolarHBondContact O-N 3.24Å
191P42.8Very low55.3Low110 Ų110111.3 Ų111.371%0.71460%0.598SS**  trans-61.4135.8177.426.4-34.2000109.4D189 V193D189-P191 VanDerWaalsContact O-CD 3.26Å; D189-P191 WeakPolarHBondContact O-CD 3.45Å; P191-V193 VanDerWaalsContact C-N 3.33Å; P191-V193 PolarHBondContact O-N 3.15Å
192Q39.3Very low52.4Low192 Ų192114.4 Ų114.490%0.89763%0.63SS**  trans-6491.6179.4-70.9-171.52.500110.9R190 V194R190-Q192 PolarHBondContact O-N 3.24Å; Q192-V194 PolarHBondContact O-N 2.87Å
193V36.7Very low49.7Very low136 Ų136119.6 Ų119.682%0.82466%0.664SS**  trans-62.8109.7166.1178.80000106.9P191 N195P191-V193 VanDerWaalsContact C-N 3.33Å; P191-V193 PolarHBondContact O-N 3.15Å; V193-N195 PolarHBondContact O-N 3.34Å
194V38.7Very low46.9Very low126 Ų126124.4 Ų124.476%0.76468%0.684SS**  trans-53.7124.5-179.71770000109Q192 A196Q192-V194 PolarHBondContact O-N 2.87Å; V194-A196 PolarHBondContact O-N 3.42Å
195N37.7Very low44.9Very low157 Ų157129 Ų12984%0.8472%0.715SS**  trans-61.4100.5-170-173.3-2.3000111.8V193V193-N195 PolarHBondContact O-N 3.34Å
196A34.9Very low42.1Very low86 Ų86133.4 Ų133.471%0.71174%0.74SS**  trans-123.775.4-176.600000110.5V194V194-A196 PolarHBondContact O-N 3.42Å
197L40.3Very low39.4Very low167 Ų167138.6 Ų138.687%0.87477%0.765SS**  trans44.786.6161.2-66.3172.4000116.6
198C27.8Very low36.8Very low121 Ų121140.2 Ų140.282%0.81879%0.785SS**  trans-132.3113149.7-142.90000109.6
199Q29.5Very low34.8Very low183 Ų183143.1 Ų143.186%0.85580%0.799SS**  trans-92.1140169.6-73-178.9-35.800108.6
200A33.6Very low33.5Very low80 Ų80143.5 Ų143.566%0.66180%0.801SS**  trans63.4161.6-170.500000111.8
201W26.3Very low32.6Very low253 Ų253141.6 Ų141.696%0.95881%0.805SS**  cis-111152.814.3-63.814.1000112.9
202G28.4Very low31.9Very low65 Ų65141.5 Ų141.567%0.6781%0.806SS**  trans-86.3147.4163.100000110.6
203P29.8Very low31.3Very low129 Ų129138 Ų13884%0.83880%0.803SS**  trans-77.5130.8175.331.4-32.7000110.9
204L26.8Very low31.4Very low162 Ų162136.8 Ų136.885%0.84880%0.798SS**  trans-122.1132155.5-78.6176.4000108.2
205P42.9Very low30.8Very low115 Ų115138.7 Ų138.775%0.74780%0.799SS**  trans-84.2144.1179.334.3-33.7000110.8
206L26.4Very low30.3Very low169 Ų169138 Ų13889%0.88579%0.79SS**  trans-151.2128.7161.3-102.4121.7000110.7
207E30.1Very low29.8Very low182 Ų182140.6 Ų140.685%0.8579%0.792SS**  trans-83.5171.5153.8-71.7-17397.300110.3
208A29.4Very low29.2Very low98 Ų98139.8 Ų139.881%0.8178%0.783SS**  trans74.7156159.600000119
209L31Very low29.3Very low159 Ų159143 Ų14383%0.83279%0.786SS**  trans-84.1159.2175.2-53.8161.7000107.3
210D25.4Very low29Very low135 Ų135139.5 Ų139.572%0.72279%0.788SS**  -167.8176.552.2-130.1-36.9000114.5
211L26.9Very low28.5Very low149 Ų149141 Ų14178%0.7879%0.794SS**  trans-42.1134.3-179-57.8153.6000119
212S27.3Very low28.6Very low107 Ų107134.1 Ų134.175%0.74878%0.784SS**  147.2129.7116.9-65.40000119.3
213S26.3Very low29.7Very low118 Ų118136.7 Ų136.783%0.82579%0.789SS**  trans75154.3150.472.20000123.7
214P39.2Very low29.4Very low111 Ų111137.9 Ų137.972%0.72179%0.789SS**  trans-130.4-170.9-17144.6-27.3000116.7
215Q27.3Very low29.4Very low166 Ų166136.7 Ų136.778%0.77678%0.783SS**  trans107.7147.3177.7-69.8162.2-11800113.6
216E27Very low28.8Very low143 Ų143140.5 Ų140.567%0.66879%0.791SS**  cis-148139.32.4-109.9146.9-140.700108.1
217L24.1Very low28.8Very low141 Ų141138.1 Ų138.174%0.73878%0.783SS**  7114482.8-95.3178.9000119.2
218H28.6Very low28.9Very low149 Ų149137 Ų13769%0.6978%0.782SS**  trans76.8124177.6-44.9117.4000116.3
219Q28Very low29.5Very low190 Ų190138.2 Ų138.289%0.88878%0.782SS**  cis94.111339.7-81.4-164.6-1800115.1
220A24Very low29.3Very low108 Ų108134.7 Ų134.789%0.89378%0.775SS**  trans-161.1160.1148.700000111
221S23.8Very low29.7Very low112 Ų112137.1 Ų137.178%0.78378%0.782SS**  trans-129.9153.5173.2-161.90000107.4
222S28.4Very low29.8Very low109 Ų109134.7 Ų134.776%0.76278%0.778SS**  174.5179.271.254.60000110.3
223P50.1Low29.8Very low119 Ų119137.4 Ų137.477%0.77378%0.783SS**  trans-114.2178.8-166.442.6-34.5000115.7
224D23.7Very low30.1Very low154 Ų154135.9 Ų135.982%0.82478%0.778SS**  trans-152.2166.1149.9-149.6-7.3000113.7
225N27.9Very low29.6Very low137 Ų137140.8 Ų140.873%0.73379%0.788SS**  trans-137.7143.7-171.7-91.9-56.5000112.8
226Q29.1Very low29.6Very low195 Ų195136.3 Ų136.391%0.91179%0.786SS**  trans-145.5160.9156.4-71.8-157.338.500112.9
227V28.1Very low29.7Very low118 Ų118140 Ų14072%0.71580%0.8SS**  trans-146.2120.4-148.2165.40000115
228L30.5Very low29.8Very low159 Ų159136.8 Ų136.883%0.83280%0.8SS**  trans62.4169.7147-70.2-178.7000119.3
229P42Very low29.9Very low123 Ų123140.8 Ų140.880%0.79981%0.81SS**  cis-136.9-178.520.443.2-22.9000120.3
230A27.9Very low30Very low85 Ų85137.6 Ų137.670%0.70280%0.803SS**  trans-73.1175.5-171.300000115.3
231Q32.4Very low30.2Very low186 Ų186144.1 Ų144.187%0.86981%0.807SS**  -171.8162.264.6-82.1-172.895.100109.7
232S30.3Very low30.4Very low98 Ų98142.3 Ų142.369%0.68581%0.805SS**  cis-156.3-159.6-052.60000107.8
233L26.7Very low30.6Very low164 Ų164142.6 Ų142.686%0.85981%0.807SS**  cis-150.4-159.618.3-162.745.1000111.5
234A33.4Very low29.8Very low86 Ų86146.6 Ų146.671%0.71181%0.812SS**  trans-154.5144.6-15600000117.1
235K28Very low30.1Very low215 Ų215150.8 Ų150.894%0.93582%0.818SS**  trans179.6141.2152.9-97.8170.6-171.21800109.2
236G26.7Very low30.8Very low71 Ų71150.1 Ų150.173%0.73282%0.822SS**  cis150.4114.2-2100000116.7
237K30.6Very low30.9Very low221 Ų221144.9 Ų144.996%0.96182%0.819SS**  trans62147.9166.7-63.7175.4176174.50117.9
238G24.8Very low31.1Very low73 Ų73147.5 Ų147.575%0.75383%0.829SS**  cis129.2105.6-15.700000116.5
239R32.2Very low31.2Very low234 Ų234148.2 Ų148.288%0.88383%0.832SS**  trans-179.8112.1153.3-103.3-174.1-178-164.4-1.2110.6
240T29.7Very low30.4Very low123 Ų123150.2 Ų150.276%0.75583%0.828SS**  60.2114.898.864.50000117.5
241Y28.4Very low30.5Very low245 Ų245151.6 Ų151.696%0.96183%0.827SS**  trans-110.9148.4148.3-102.9-95.3000109.3
242G28.4Very low30.2Very low73 Ų73151 Ų15175%0.75382%0.824SS**  trans-112.6147.3-174.900000113.1
243S31.4Very low30.2Very low115 Ų115155.1 Ų155.180%0.80483%0.833SS**  trans-76.2153.3173.253.40000112.6
244K34.5Very low30.2Very low204 Ų204151.9 Ų151.989%0.88783%0.83SS**  trans-175.9109.5150.2-102.5150.5-171.3179.80112
245Y29.9Very low29.7Very low242 Ų242159.5 Ų159.595%0.94984%0.84SS**  trans-100.6141.7155.8-91.9-84.1000109
246P42.1Very low29.6Very low123 Ų123155.5 Ų155.580%0.79984%0.838SS**  trans-125.8147.5161.237.1-25.4000112.8
247G30.1Very low29.6Very low84 Ų84155.7 Ų155.787%0.86684%0.84SS**  trans118.498.4162.300000115.8
248L32.2Very low29.4Very low173 Ų173154 Ų15491%0.90684%0.835SS**  trans-87.5136.4165.8-68.8149.8000109.8
249I32.8Very low29.5Very low175 Ų175157.4 Ų157.490%0.89784%0.841SS**  trans-131.2131.5141-63.6-171.4000110.2
250K26.5Very low29.2Very low165 Ų165150 Ų15072%0.71783%0.83SS**  trans-49.8150.2-175.2-169-159.6170.4-144.30116.8E252K250-E252 IonicContact NZ-OE1 2.81Å; K250-E252 PolarHBondContact NZ-OE1 2.89Å
251V30Very low28.8Very low114 Ų114153.2 Ų153.269%0.69183%0.834SS**  trans-56.6148.5163.6172.70000113.1Q253V251-Q253 HydrophobicContact CG1-CB 4.38Å
252E25.2Very low28.8Very low173 Ų173150.7 Ų150.781%0.80882%0.823SS**  trans-142.1146.2143.7-141.9140.3-101.200110.9K250K250-E252 IonicContact NZ-OE1 2.81Å; K250-E252 PolarHBondContact NZ-OE1 2.89Å
253Q30.3Very low28.7Very low184 Ų184153.9 Ų153.986%0.8682%0.819SS**  trans-146.7115.6-167.3-174.9-175.64700110.9V251V251-Q253 HydrophobicContact CG1-CB 4.38Å
254A26.2Very low28.5Very low97 Ų97156.2 Ų156.280%0.80282%0.823SS**  trans-146.2111.7168.400000107.5
255R24.7Very low28.2Very low246 Ų246153.3 Ų153.393%0.92881%0.813SS**  89.5119.167.4-168.5-179.1-139.2-146.35.4110.8
256C25.7Very low28.2Very low130 Ų130148.8 Ų148.888%0.87881%0.81SS**  trans-64.2147-177.1-169.90000112.7
257G26.7Very low27.8Very low76 Ų76147.3 Ų147.378%0.78480%0.798SS**  trans-160.2128.9172.900000109.8
258E25.5Very low28.1Very low185 Ų185148.8 Ų148.886%0.86480%0.795SS**  trans-101.5152.3-169.6-178.6179-165.600112
259V26.6Very low28.2Very low145 Ų145147.4 Ų147.488%0.87978%0.784SS**  trans153.7143.8148.2160.60000109.9
260A25.3Very low28.3Very low77 Ų77146.5 Ų146.564%0.63678%0.781SS**  trans-104.5165.8-163.300000115.3
261F23.3Very low28.8Very low191 Ų191147.1 Ų147.184%0.83878%0.784SS**  -179.6147.2107.3-103.5-69.6000115.5
262R27.2Very low29Very low193 Ų193150.6 Ų150.673%0.72879%0.793SS**  trans65.4118.5157.4-74.1-70171.4-166.6-1122.1
263M26.5Very low29.4Very low139 Ų139145 Ų14569%0.68578%0.782SS**  16.4135.8128.3-82.696.7168.100120.1
264D27.3Very low29.5Very low164 Ų164143.8 Ų143.888%0.87778%0.781SS**  -148.3171.185.6-133-37.4000113.2
265E28.3Very low30.1Very low144 Ų144150.2 Ų150.267%0.67379%0.786SS**  trans-124.6138.5-157.6179.1-171.1150.300114V267E265-V267 HydrophobicContact CG-CG2 4.13Å; E265-V267 WeakPolarHBondContact OE1-CG2 3.38Å
266V30.4Very low30.8Very low147 Ų147144.3 Ų144.389%0.89178%0.778SS**  trans-145.1134.6149.9164.90000109.1
267V32Very low31.4Very low91 Ų91142.6 Ų142.655%0.55277%0.772SS**  trans-99.6152-171.6172.90000112.8E265 Q269E265-V267 HydrophobicContact CG-CG2 4.13Å; E265-V267 WeakPolarHBondContact OE1-CG2 3.38Å; V267-Q269 HydrophobicContact CG1-CG 4.21Å
268S36.6Very low31.9Very low116 Ų116146.8 Ų146.881%0.81178%0.776SS**  trans-151.571.1157.2-69.10000108.8
269Q34.5Very low32.3Very low143 Ų143145.5 Ų145.567%0.66878%0.775SS**  72.976.2101.7-85.1-166.2-28.900113.8V267 F271V267-Q269 HydrophobicContact CG1-CG 4.21Å; Q269-F271 HydrophobicContact CB-CE2 4.44Å; Q269-F271 HydrophobicContact CG-CE2 4.42Å
270D34.9Very low32.4Very low157 Ų157142.7 Ų142.784%0.8477%0.774SS**  trans-72.7147.3152.6-52.4-72.6000110
271F37.3Very low32.6Very low177 Ų177148.3 Ų148.378%0.77679%0.785SS**  trans-129.283.7169.5-86.5-76.8000109.6Q269Q269-F271 HydrophobicContact CB-CE2 4.44Å; Q269-F271 HydrophobicContact CG-CE2 4.42Å
272E35.1Very low32.9Very low188 Ų188145.3 Ų145.388%0.87979%0.788SS**  trans-69140.9163.6-166.662.2-10200109.5
273G33.2Very low33.2Very low56 Ų56145.3 Ų145.358%0.57780%0.796SS**  trans-113.181.3-166.100000114.6
274D33.1Very low33.1Very low158 Ų158147 Ų14785%0.84580%0.802SS**  trans-63.4131.1178.2-98.4-34.1000113.5
275Y37.3Very low33.2Very low231 Ų231142.9 Ų142.991%0.90679%0.787SS**  trans-86.8109.7173.9-92.2-104.3000111.3
276V39.7Very low33.3Very low123 Ų123147.7 Ų147.775%0.74580%0.799SS**  trans-80.7120.9178.2177.20000111.6
277A37.8Very low33.1Very low93 Ų93143.9 Ų143.977%0.76979%0.789SS**  trans-74.3133.1169.700000111.6
278L37.3Very low32.7Very low165 Ų165148.7 Ų148.786%0.86481%0.806SS**  trans-102.6100.8177.6-68.3177.3000111.5
279L33.7Very low32.2Very low158 Ų158148.5 Ų148.583%0.82780%0.804SS**  trans-123115.6162-72.5176.4000109.3
280G29.2Very low33Very low85 Ų85147 Ų14788%0.87681%0.806SS**  trans-89.1124.3176.400000111.5
281F31Very low32.6Very low195 Ų195144.5 Ų144.586%0.85580%0.801SS**  trans-81.7152.3174.6-73.6-95.6000112.3
282S29.3Very low32.2Very low129 Ų129146.4 Ų146.490%0.90280%0.804SS**  trans-136.8130.4151.4-79.50000108.3
283Q32.3Very low31.8Very low192 Ų192145 Ų14590%0.89780%0.797SS**  trans-138.7123.2-176.7-178.5177.944.700110
284E25Very low31.6Very low174 Ų174147.1 Ų147.181%0.81381%0.809SS**  trans-164.3155.4-178.2-172.868.5-89.700108.3
285S29.6Very low31.4Very low79 Ų79143 Ų14355%0.55280%0.804SS**  -144.3168.6-8666.40000110.7
286R29.1Very low31.1Very low245 Ų245138.9 Ų138.993%0.92580%0.803SS**  trans66.4155.9178.6-55.8166.2166.9-111.8-0.3115
287G26.6Very low30.6Very low67 Ų67138.1 Ų138.169%0.69180%0.803SS**  cis171.4162.1-9.300000113.2
288E23.5Very low30.2Very low192 Ų192138.8 Ų138.890%0.89780%0.802SS**  trans68.1169.9164.1-64.4-179.1113.500120.3
289S27.6Very low29.7Very low112 Ų112134.1 Ų134.178%0.78379%0.794SS**  trans-163.2-176.9-172.8-40.60000107.3
290P51.2Low29.4Very low110 Ų110132.4 Ų132.471%0.71479%0.794SS**  cis-136.2-176.4-15.541.5-25000114.5
291S26.6Very low29.4Very low105 Ų105134.1 Ų134.173%0.73479%0.788SS**  trans79.7159.6143.279.10000123.1
292R27.6Very low29.4Very low218 Ų218130.5 Ų130.582%0.82379%0.786SS**  trans77.7151.9168.7-68.5-170134.2175.31.6120.2
293E26.7Very low29.2Very low158 Ų158127.5 Ų127.574%0.73878%0.776SS**  cis-173.6159.7-42-120.9-178.9147.700111
294A28.7Very low29.1Very low101 Ų101123.2 Ų123.284%0.83577%0.773SS**  trans63.3148.9176.700000116.8
295G30.2Very low29.1Very low71 Ų71121.9 Ų121.973%0.73277%0.771SS**  cis115.2136.65.800000111.1
296T30.7Very low29Very low144 Ų144125.4 Ų125.488%0.88378%0.778SS**  cis-142.4-171.21.357.60000107.7
297S29.6Very low29Very low107 Ų107121.2 Ų121.275%0.74877%0.77SS**  cis-155.5-173.117.564.20000108.2
298S28.6Very low29.1Very low107 Ų107124.7 Ų124.775%0.74877%0.771SS**  cis-148.3143.213.757.50000112.1
299G27.1Very low29.3Very low68 Ų68120.2 Ų120.270%0.70177%0.766SS**  trans-80.4-169.416400000112.2
300C26.6Very low29.1Very low121 Ų121118.3 Ų118.382%0.81877%0.765SS**  cis-160170.620.5-780000107.8
301T29.1Very low28Very low122 Ų122119.7 Ų119.775%0.74877%0.772SS**  cis-178.2160.6-8.930.70000104.8
302S31.6Very low28.3Very low119 Ų119124.4 Ų124.483%0.83278%0.779SS**  cis-165.3172-1.9-101.20000107
303G26.1Very low28.2Very low66 Ų66121.6 Ų121.668%0.6878%0.775SS**  cis176.7-176.9-1.100000111.9
304A29.5Very low28.7Very low101 Ų101118.6 Ų118.684%0.83577%0.767SS**  trans39.3137145.400000120.7
305L25.7Very low29.1Very low147 Ų147119.1 Ų119.177%0.7776%0.762SS**  cis-147.217129.4-163.668.1000113.2
306E26.9Very low28.8Very low152 Ų152122.7 Ų122.771%0.7176%0.764SS**  trans-35.5168.5167.8-58.7151.5155.700117.9
307E28Very low28.7Very low158 Ų158125.8 Ų125.874%0.73877%0.765SS**  cis-159.9157.9-21.1-112.6-159.1132.300111
308I30.3Very low28.5Very low139 Ų139129.7 Ų129.771%0.71377%0.772SS**  trans36.1130.9146.4-62.6-177.3000122.9
309A26.3Very low28.4Very low98 Ų98133.6 Ų133.681%0.8178%0.775SS**  trans73.3127.2152.700000121.5
310G24.8Very low28.3Very low73 Ų73138.2 Ų138.275%0.75378%0.782SS**  trans-162.783.9167.500000111.5
311T28.1Very low28.3Very low139 Ų139139.2 Ų139.285%0.85378%0.779SS**  trans-64.2144.2173.6-44.20000110.6
312K31.3Very low28.3Very low204 Ų204138.7 Ų138.789%0.88778%0.777SS**  trans-139.1144.7168.5-74-162.8174.3-171.70112.1
313E26.5Very low28Very low159 Ų159140.8 Ų140.874%0.74378%0.778SS**  trans-149.2163.8-174.9-156.4-149.9-94.100108.9
314T37.6Very low28.1Very low94 Ų94141.1 Ų141.158%0.57777%0.771SS**  trans59.4176.7163.619.90000115.7L316T314-L316 HydrophobicContact CG2-CD1 3.97Å; T314-L316 HydrophobicContact CG2-CG 4.16Å
315P36.6Very low27.9Very low112 Ų112144.9 Ų144.973%0.72777%0.771SS**  cis-117171.91348.4-35.4000113.2
316L24.9Very low27.9Very low146 Ų146142 Ų14276%0.76477%0.768SS**  cis69.9125.535-73.9175.3000115.7T314T314-L316 HydrophobicContact CG2-CD1 3.97Å; T314-L316 HydrophobicContact CG2-CG 4.16Å
317F27.1Very low27.9Very low209 Ų209141.6 Ų141.692%0.91777%0.771SS**  trans-125.4117.4172.7-90.7-77.5000110.3
318Q26.7Very low27.9Very low190 Ų190143 Ų14389%0.88878%0.777SS**  trans-105.4151.5156.8-71.2178.7-22.600108.3
319K25.4Very low27.5Very low189 Ų189139.7 Ų139.782%0.82278%0.778SS**  trans-148.3111.3167-168.3175.7-178.9-178.70111.6
320I24.5Very low28.6Very low164 Ų164141.2 Ų141.284%0.84178%0.779SS**  trans-115.2155.8169-65.9174.4000107.9
321L26.5Very low28.8Very low142 Ų142143.3 Ų143.374%0.74378%0.782SS**  trans-139134.5-172.8-138.2176.7000109.8
322P30.2Very low28.8Very low111 Ų111144.3 Ų144.372%0.72178%0.782SS**  trans-125.4160.1163.537-25.3000114.4
323L26Very low28.5Very low163 Ų163138.2 Ų138.285%0.85378%0.777SS**  trans-79.8172.2163.3-113.266.9000110.2
324S27Very low28.6Very low74 Ų74137.8 Ų137.852%0.51778%0.779SS.*  cis-149.6177.24.3-154.60000110.7
325E25.5Very low28Very low180 Ų180145 Ų14584%0.84180%0.796SS**  trans24.9142.8151.1-68.5153.3122.300121.3
326A26.2Very low27.4Very low87 Ų87143.9 Ų143.972%0.71980%0.797SS**  cis-164.3174.235.900000114.9
327N27.3Very low27.6Very low143 Ų143142.5 Ų142.577%0.76580%0.798SS**  trans76.1131.8153.6-76.1-0000123.8
328E26.2Very low27.5Very low186 Ų186139.4 Ų139.487%0.86980%0.796SS**  trans63.9128.3142.8-63-176.9157.800122.9
329G23.8Very low27.5Very low70 Ų70139 Ų13972%0.72279%0.791SS**  trans-129.2-149.7149.100000108
330P49.4Very low28.5Very low130 Ų130133.9 Ų133.984%0.84478%0.777SS**  cis-136.5166-11.641.3-25.6000114.6
331S28.8Very low28.5Very low117 Ų117134.1 Ų134.182%0.81878%0.775SS**  trans-168.5136.6147.839.10000109.3
332L27Very low28.5Very low161 Ų161132.7 Ų132.784%0.84378%0.777SS**  cis84.588.542.3-157.3171.5000112.2
333G26Very low28.5Very low75 Ų75131.7 Ų131.777%0.77377%0.772SS**  trans-155.6129.9173.700000111
334N28.2Very low28.8Very low150 Ų150133 Ų13380%0.80277%0.774SS**  trans-114.2169.4-168.9-93.2-57.4000113
335R25.6Very low28.6Very low245 Ų245138.8 Ų138.893%0.92579%0.793SS**  trans79.3157.3164.8-66-178.1166.3-178-4.5117.8
336A23.6Very low28.6Very low90 Ų90140.5 Ų140.574%0.74479%0.792SS**  cis-168.4158.2-29.200000110
337C28.4Very low29.3Very low116 Ų116140.9 Ų140.978%0.78479%0.787SS**  trans-75.1142.4178.31760000113.9
338T25.4Very low29.2Very low144 Ų144143.2 Ų143.288%0.88379%0.787SS**  trans-139.2154.3147.434.30000111.6
339K27.2Very low29.1Very low182 Ų182141.4 Ų141.479%0.79178%0.783SS**  trans-130.1-167.6-178.8-135.6-159.7165.6-162.60105.7
340P45.2Very low29.3Very low81 Ų81145.1 Ų145.153%0.52679%0.786SS.*  cis-142.8-168-1.943.3-22.9000117
341E25.3Very low28.1Very low169 Ų169141.5 Ų141.579%0.7977%0.771SS**  trans64.8151.8148.8-82.8126.2-125.800120.7
342S27Very low28.1Very low112 Ų112144.5 Ų144.578%0.78377%0.77SS**  cis-148.9-167.5-5.859.70000108.7
343S29.1Very low28.3Very low90 Ų90147.3 Ų147.363%0.62977%0.769SS**  cis-153.3133.21.159.10000109.6
344E32Very low28.4Very low191 Ų191154.6 Ų154.689%0.89377%0.774SS**  67.1107.4103.7-55.8-157.2122.600119.3
345E23.4Very low28.5Very low195 Ų195155.8 Ų155.891%0.91177%0.772SS**  -162.7169.3114.8-117.4-172.1156.300112.2
346R26Very low28.6Very low216 Ų216150.4 Ų150.482%0.81577%0.766SS**  trans-158.3178.8-168.4-88.3-170.4173.3179.6-0.9108.7
347P41.3Very low28.7Very low96 Ų96152.1 Ų152.162%0.62376%0.763SS**  cis-158.5-179.725.749.9-28.6000122.1
348Y23.6Very low28.7Very low191 Ų191154.5 Ų154.575%0.74977%0.767SS**  trans58.3114.8148.3-54.8-42.3000125.5
349N25.6Very low28.8Very low149 Ų149156.9 Ų156.980%0.79777%0.765SS**  -168.4165.5116.9-108.5-89.5000108.4
350L26.4Very low29Very low148 Ų148152.6 Ų152.678%0.77576%0.763SS**  cis-151.3179.2-10.4-176.747.9000108.7
351G26.1Very low28.4Very low53 Ų53154.4 Ų154.455%0.54678%0.775SS.*  trans-89.3-176.1168.600000113.9
352F28.3Very low28.5Very low180 Ų180152.2 Ų152.279%0.78977%0.773SS**  cis-142.7146.227.7-81.2-99.5000111.9
353R30.6Very low28.5Very low220 Ų220154.1 Ų154.183%0.8377%0.77SS**  56124.384.8-121.5-172.5-166.5-115.85.7113
354R28Very low28.4Very low228 Ų228156.5 Ų156.586%0.8678%0.775SS**  -154.2146.968.6-168.2177.9-65.2-172.4-0.4113.2
355K31.4Very low28.3Very low176 Ų176153 Ų15377%0.76577%0.772SS**  trans-149136.2178.1-177177.2-174.2173.60108.6
356V26.4Very low28.5Very low131 Ų131152.3 Ų152.379%0.79477%0.769SS**  trans-141.2136.2171.6-179.20000108.8
357N26.5Very low28.7Very low127 Ų127153.2 Ų153.268%0.67977%0.772SS**  trans-109.6159.2178.5-79.6-31.1000110.6
358L27.5Very low28.8Very low166 Ų166153.9 Ų153.987%0.86978%0.777SS**  trans-156.2100.4138.2-94.8142.3000105.8
359K28.1Very low29.8Very low193 Ų193150 Ų15084%0.83977%0.774SS**  92.3117.160.2-172.1-177.7-173-173.80111.1
360A30.9Very low29.9Very low92 Ų92152.4 Ų152.476%0.7678%0.781SS**  trans-102.2170.6-176.600000113.1
361P32.4Very low30Very low120 Ų120149.2 Ų149.278%0.77978%0.784SS**  trans-120.7137.8155.834.9-22.1000114.5
362T27.4Very low30.1Very low123 Ų123152.1 Ų152.176%0.75580%0.796SS**  trans-32.8165.6155.446.90000118
363H28.2Very low30.1Very low152 Ų152154.4 Ų154.470%0.70480%0.801SS**  cis-161.1171.519.6-143.8-86.3000112.9
364N26.3Very low30.1Very low140 Ų140151.1 Ų151.175%0.74980%0.797SS**  trans72.2148.4167.7-52.2-37.6000116.8
365S28.9Very low30.2Very low118 Ų118146.8 Ų146.883%0.82579%0.791SS**  cis-143.5-173.3-2.8-157.40000111.4
366E27.8Very low30.1Very low180 Ų180143 Ų14384%0.84178%0.782SS**  trans-88.1130.7-168-61.8178.1103.800116.4
367R30.4Very low30.1Very low234 Ų234144.5 Ų144.588%0.88379%0.785SS**  trans20.9162.4131.3-72.8-176.8-177.5177.61.8121.8
368P44.1Very low30.3Very low111 Ų111145.6 Ų145.672%0.72179%0.786SS**  cis-140.9-149.5-29.841.7-21.4000111
369P44.5Very low30.4Very low108 Ų108144.9 Ų144.970%0.70178%0.783SS**  cis-122.4168.5-40.624.9-4.4000114.7
370Q28Very low30.2Very low200 Ų200139.4 Ų139.494%0.93577%0.774SS**  trans63.3105.5143.9-165.4165.73.200120.4
371G27.3Very low30.2Very low81 Ų81143.1 Ų143.184%0.83578%0.78SS**  trans-170.5129.4163.100000110.7
372S30.1Very low29.9Very low115 Ų115144.1 Ų144.180%0.80478%0.779SS**  trans-102.4132.5179.61790000110.5
373Y27.7Very low29.8Very low227 Ų227145 Ų14589%0.8979%0.788SS**  trans-158.9166.9159.4-118.1-80.9000111.7
374M31.4Very low29.8Very low151 Ų151142 Ų14274%0.74479%0.79SS**  trans-95.8165.8-164.5-48.1-149.5-55.500114.9
375N30Very low30.2Very low137 Ų137141.6 Ų141.673%0.73380%0.798SS**  165.3147.5113-87.9-27000118.4
376V28.3Very low30.2Very low97 Ų97139.4 Ų139.459%0.58879%0.794SS**  trans68120.8136.8173.30000123.4E378V376-E378 HydrophobicContact CG1-CB 4.38Å; V376-E378 HydrophobicContact CG1-CG 4.14Å
377L27.5Very low30.4Very low163 Ų163139.6 Ų139.685%0.85380%0.8SS**  -146.5137.2112.1-119.980.1000104.6
378E29.8Very low30.3Very low149 Ų149138.7 Ų138.770%0.69680%0.797SS**  cis61.5134.635.1-66.6-171.4144.900113.5V376V376-E378 HydrophobicContact CG1-CB 4.38Å; V376-E378 HydrophobicContact CG1-CG 4.14Å
379D28.5Very low29.6Very low152 Ų152138.1 Ų138.181%0.81380%0.801SS**  cis-96.5156.210.9-74.8-55.8000114.6
380A25.9Very low28.8Very low77 Ų77135.3 Ų135.364%0.63679%0.792SS**  69.8136.956.400000113.5
381L29.9Very low28.8Very low171 Ų171132.3 Ų132.390%0.89579%0.787SS**  cis-137.6159.843.3-76.1162.4000115.9
382D26.9Very low28.9Very low141 Ų141133.3 Ų133.375%0.75478%0.781SS**  trans-73.4163.5177.4-58-89.9000116.2
383C24.5Very low28.8Very low140 Ų140136.5 Ų136.595%0.94678%0.783SS**  -161.4131.9113.3-98.20000111.5
384A28.5Very low29Very low91 Ų91133.5 Ų133.575%0.75278%0.777SS**  trans-115143.2-173.400000113.7
385S34.1Very low29.7Very low130 Ų130131.6 Ų131.691%0.90978%0.776SS**  trans58.7136.7152.6-157.40000120.2
386G28.9Very low29.6Very low72 Ų72128.9 Ų128.974%0.74277%0.773SS**  trans-179.969.2176.500000115.1R388G386-R388 PolarHBondContact O-N 3.09Å
387L33Very low29.8Very low185 Ų185129.2 Ų129.297%0.96979%0.786SS**  trans-59.4126.8164.6-90.2161.6000109.9
388R26.5Very low29.9Very low215 Ų215127.4 Ų127.481%0.81179%0.787SS**  trans-132.2117.7172.7-156.6-177.8-156.3-88.96.9111.9G386 G390G386-R388 PolarHBondContact O-N 3.09Å; R388-G390 PolarHBondContact NH1-O 3.33Å; R388-G390 VanDerWaalsContact NH1-O 3.08Å
389A30.9Very low30.2Very low99 Ų99129.9 Ų129.982%0.81880%0.795SS**  trans-99.5147.5160.400000109.5
390G27.8Very low30.2Very low49 Ų49130.9 Ų130.951%0.50580%0.797SS.*  trans103.3122156.600000118.9R388R388-G390 PolarHBondContact NH1-O 3.33Å; R388-G390 VanDerWaalsContact NH1-O 3.08Å
391V27.9Very low30.3Very low136 Ų136135.7 Ų135.782%0.82481%0.806SS**  trans66.799.6132.5-169.90000119.7
392S28.6Very low30.1Very low103 Ų103130.8 Ų130.872%0.7280%0.797SS**  62.6150.8118.6-145.90000124.5
393Q29.2Very low30.9Very low182 Ų182130 Ų13085%0.8580%0.8SS**  trans84.198.2152.6-92.8172.7-2200123.3
394E30.6Very low31.1Very low164 Ų164132 Ų13277%0.76680%0.8SS**  -30.3144.9125.7-168.266.3-125.800112.7
395P46.4Very low30.9Very low111 Ų111131 Ų13172%0.72180%0.799SS**  cis-152.9166.348.244.8-24.6000121.4
396A28.7Very low30.7Very low80 Ų80132.3 Ų132.366%0.66180%0.796SS**  trans53118.7135.100000126.1
397A30.6Very low31.7Very low104 Ų104133.8 Ų133.886%0.8679%0.792SS**  62.6135.8120.700000125.4
398S30.6Very low31.7Very low124 Ų124132.3 Ų132.387%0.86778%0.78SS**  trans-157.8176.4143.573.20000112.5
399K35.1Very low32Very low201 Ų201128.3 Ų128.387%0.87478%0.775SS**  trans-135.8149.1-175.2-67.6177.4178175.50112.7
400M28.7Very low31.9Very low174 Ų174131.1 Ų131.186%0.85777%0.773SS**  trans-167.6136.3136.9-95.3179.279.200106.4
401Q29.1Very low32Very low177 Ų177133.9 Ų133.983%0.82778%0.78SS**  cis95.612036.9-163.1160.40.600112.4
402G25.9Very low32Very low69 Ų69135.3 Ų135.371%0.71178%0.778SS**  trans-84.2-158.2-166.100000116.2
403P42.3Very low32Very low125 Ų125138 Ų13881%0.81278%0.783SS**  -155166.368.142.5-23.1000119.9
404L28.9Very low32.1Very low180 Ų180140 Ų14094%0.94278%0.783SS**  trans46.8124.7138.6-162.270.5000123.3
405G24.9Very low32.4Very low70 Ų70138.2 Ų138.272%0.72279%0.786SS**  trans-173.2138.6159.200000113.4
406N29.2Very low31.5Very low158 Ų158135.7 Ų135.785%0.84578%0.78SS**  trans-171.6175.7-179.1-132.86.5000108.5
407P51.7Low32.6Very low104 Ų104137.5 Ų137.568%0.67579%0.785SS**  cis-120.5-148.7-2.424.83000110.9
408E31.8Very low32.4Very low154 Ų154144.1 Ų144.172%0.7279%0.787SS**  cis-154.5173.712.4-65.3-169.8137.600112.7
409N33.9Very low32.4Very low131 Ų131147.3 Ų147.370%0.70179%0.788SS**  trans63.1142.3142.3-79.2-40.5000120.4
410M28.7Very low32.1Very low158 Ų158141.7 Ų141.778%0.77878%0.78SS**  cis-138.4157.818.1-79-175.458.500114.6
411V29.4Very low32.1Very low106 Ų106138.9 Ų138.964%0.64278%0.777SS**  trans55.3103.8145.6172.10000117.8
412Q27.9Very low32.2Very low166 Ų166135.7 Ų135.778%0.77677%0.774SS**  60.2136.486.8-66.3-167.338.200114.7
413L28.2Very low33.2Very low159 Ų159137.2 Ų137.283%0.83277%0.772SS**  cis-139.3158.345.4-76.4158.9000114.8
414R31.1Very low32.5Very low225 Ų225141.5 Ų141.585%0.84977%0.772SS**  trans-150151.1161.5-158.6-169.7-169.8-172.17.1109.1
415P37Very low32.5Very low127 Ų127140.7 Ų140.783%0.82577%0.767SS**  trans-119.5138.6137.7-3.423.8000112.5
416G28.6Very low32.7Very low58 Ų58142.6 Ų142.660%0.59877%0.77SS**  trans-111.8-146.2143.500000107.5
417P50.7Low33.5Very low118 Ų118140.9 Ų140.977%0.76677%0.767SS**  cis-135-174.8-1242-27000112.5
418R27.3Very low32.3Very low242 Ų242140.5 Ų140.591%0.91377%0.773SS**  -172.4119.2124.9-101.5163.3-161.5-115.53.6112.5
419Q30.8Very low32.3Very low191 Ų191138.6 Ų138.689%0.89378%0.777SS**  trans-87.5178.9144.8-59.4179.1-15.700107
420A27.7Very low32.8Very low83 Ų83138.8 Ų138.869%0.68679%0.785SS**  cis-143.6-1688.200000107.5
421S28.4Very low32.7Very low115 Ų115135.9 Ų135.980%0.80479%0.786SS**  cis-161.3162.624.1-49.80000111.9
422S32.1Very low32.7Very low110 Ų110135.6 Ų135.677%0.76980%0.795SS**  trans-81.6-165.6159.8-37.30000110.3
423P47.4Very low32.6Very low102 Ų102132.7 Ų132.766%0.66280%0.799SS**  cis-141.3-173.1-627.4-1.3000116
424R27.2Very low32.8Very low215 Ų215129.5 Ų129.581%0.81180%0.796SS**  trans122.1127.7136.1-64.5-160.2-165.6-92.72.1119.5
425L28.1Very low32.8Very low162 Ų162124.4 Ų124.485%0.84880%0.795SS**  trans74131.8140.3-66166.6000122
426S29.9Very low32.4Very low110 Ų110127 Ų12777%0.76980%0.796SS**  trans-87.1-177.5162-27.90000109.8
427P46.3Very low32.3Very low122 Ų122130.2 Ų130.279%0.79280%0.804SS**  cis-150-158.536.644.4-21.6000116.6
428A25.3Very low31.2Very low97 Ų97132.8 Ų132.880%0.80280%0.803SS**  trans93.5140.6156.100000119.7
429S32.4Very low31.3Very low113 Ų113127.7 Ų127.779%0.7979%0.793SS**  trans-108.8168.6172.3-46.10000110.4
430P43.7Very low31Very low136 Ų136126.6 Ų126.688%0.88379%0.787SS**  trans-127.9-176131.937.8-30.3000112.1
431A27.6Very low31.1Very low96 Ų96128.5 Ų128.579%0.79379%0.79SS**  trans-140.8163.2-166.400000115.1
432A28.5Very low31Very low100 Ų100132.7 Ų132.783%0.82679%0.794SS**  trans61.8121.7149.700000121.9
433A27.2Very low30.9Very low105 Ų105133.3 Ų133.387%0.86879%0.793SS**  trans-175.7168.7135.300000111
434A31Very low30.2Very low92 Ų92136.8 Ų136.876%0.7680%0.798SS**  -170.4133.6-80.200000112.1
435S31.7Very low30.2Very low118 Ų118133.1 Ų133.183%0.82579%0.79SS**  trans-158.4118.3161-51.90000106.3
436E28.9Very low30.2Very low181 Ų181136.1 Ų136.185%0.84679%0.79SS**  54.6121.755.3-54.9-146.3139.800112.1
437T25.7Very low30.2Very low127 Ų127138.6 Ų138.678%0.77980%0.795SS**  cis-157.3169.743.448.90000112.1
438K27.8Very low29.3Very low172 Ų172136.5 Ų136.575%0.74880%0.795SS**  cis170.9151.7-17.4179.1-176.1-178.8-177.80108.7
439I30.5Very low29.5Very low134 Ų134142.9 Ų142.969%0.68780%0.799SS**  trans71.3142.6162.4-89.4165.1000116.7
440E24.6Very low29.2Very low168 Ų168144.1 Ų144.179%0.78580%0.796SS**  cis-154-174-8.1-140.7178.5111.300113.1
441V28.4Very low29.4Very low123 Ų123143.3 Ų143.375%0.74579%0.79SS**  trans-111.3137.9-175.6168.40000111.7
442K27.4Very low29.6Very low203 Ų203147.9 Ų147.988%0.88379%0.792SS**  trans-167.8167.4138-129.8153.9-176.1163.30116.6
443T30.2Very low29.7Very low123 Ų123149.3 Ų149.376%0.75579%0.793SS**  trans-110146.9-177.744.50000112.7
444K31.5Very low29.8Very low175 Ų175151.5 Ų151.576%0.76179%0.787SS**  trans158.8129.1131.1-97.3-164.5169-129.20115.8
445E28.4Very low29.9Very low139 Ų139152.9 Ų152.965%0.6579%0.789SS**  37.4121.7115.6-166.2-162.315800120.8
446R27Very low29.8Very low225 Ų225152.1 Ų152.185%0.84978%0.782SS**  164156.2112.3-170.8161.9179.5171.91.1115
447N30.8Very low30.4Very low161 Ų161149.2 Ų149.286%0.86178%0.779SS**  trans-67156.8177.8-59.4-47.7000116.4
448G26.1Very low30.5Very low78 Ų78149 Ų14980%0.80478%0.783SS**  trans-154.7160.9166.300000112.6
449R30Very low30.6Very low231 Ų231151.9 Ų151.987%0.87279%0.789SS**  trans-158.7159.5-165.6-154.9-173.1-141-105.26.3114.8
450L27.2Very low30.4Very low140 Ų140152.8 Ų152.873%0.73380%0.795SS**  trans72.3166.3165.7-110.565000116.2
451P46.1Very low30.5Very low118 Ų118151.9 Ų151.977%0.76680%0.801SS**  cis-131.8-178.8-533.2-11.6000117.2
452K32.1Very low30.5Very low193 Ų193151.2 Ų151.284%0.83980%0.802SS**  trans-82.4169.3166.8-75.2-177.5172.6-179.20111.9
453P30.8Very low30.5Very low129 Ų129147.3 Ų147.384%0.83880%0.8SS**  -139.2-174.3111.338.3-25.9000115.7
454M29.2Very low30.9Very low151 Ų151147 Ų14774%0.74480%0.8SS**  trans-139153.2175.7-110-70.2-151.900106.8
455P33.8Very low30.7Very low122 Ų122146.7 Ų146.779%0.79280%0.801SS**  -152.9-173.176.740.4-19.1000116.9
456C28.4Very low31Very low101 Ų101145.7 Ų145.768%0.68281%0.807SS**  trans-92.1-165.6176.1-46.50000111.4
457P42.1Very low31.3Very low121 Ų121139.6 Ų139.679%0.78680%0.797SS**  cis-141.6175.8-1.343.8-25.4000117.7
458S27.9Very low31.3Very low123 Ų123138.4 Ų138.486%0.8680%0.796SS**  trans166.2165.8154.245.50000110.1
459R29.4Very low31.7Very low231 Ų231140.2 Ų140.287%0.87279%0.793SS**  cis-162.9149.1-29.7168176.2171.3-179.9-2.1106.7
460N27.1Very low31.7Very low154 Ų154132.6 Ų132.682%0.82479%0.786SS**  trans-80.8140.9-171.5-53.5-5.9000115
461T26.5Very low32Very low148 Ų148132.5 Ų132.591%0.90879%0.786SS**  trans-153.8163.215340.20000109.4
462S28.3Very low31.4Very low110 Ų110135.7 Ų135.777%0.76979%0.788SS**  trans-138.6138.4-16054.50000116.5
463S27.6Very low31.5Very low120 Ų120133.4 Ų133.484%0.83978%0.778SS**  trans64.2165.8155.1-62.10000118.6
464P38.1Very low31.6Very low116 Ų116132.8 Ų132.875%0.75378%0.777SS**  cis-123.2174.10.341.6-27.3000116.4
465E27.6Very low31.8Very low169 Ų169132.9 Ų132.979%0.7977%0.773SS**  trans16.2160.2150.9-88.2-172.1115.300124.4P467E465-P467 WeakPolarHBondContact OE1-CD 3.41Å
466P35.3Very low31.9Very low119 Ų119135.4 Ų135.477%0.77378%0.779SS**  cis-126.5171.930.742.6-28.8000117.5
467P33.6Very low31.9Very low96 Ų96141.8 Ų141.862%0.62379%0.789SS**  trans-92.6161.8-179.936.3-35.7000114.5E465E465-P467 WeakPolarHBondContact OE1-CD 3.41Å
468T29.8Very low31.4Very low137 Ų137140 Ų14084%0.8479%0.792SS**  trans-147.1118.3161.7-45.60000108.8G470T468-G470 PolarHBondContact O-N 3.3Å
469P34.4Very low31.4Very low115 Ų115141.9 Ų141.975%0.74779%0.788SS**  trans-85.4102.6-165.631.6-34.7000113.4L471P469-L471 PolarHBondContact O-N 3.45Å
470G29.2Very low31.6Very low71 Ų71142.6 Ų142.673%0.73279%0.79SS**  trans-8889.7165.200000111.5T468T468-G470 PolarHBondContact O-N 3.3Å
471L35.5Very low31.6Very low138 Ų138142.7 Ų142.772%0.72379%0.786SS**  trans-62.7145.7-179.6-68.6175000112.5P469P469-L471 PolarHBondContact O-N 3.45Å
472K33.3Very low31.7Very low186 Ų186141 Ų14181%0.80978%0.777SS**  trans-139.3109.7175.4-74.1-179.9179.8170.40110.2S474K472-S474 PolarHBondContact O-OG 2.98Å
473F33.8Very low31.5Very low144 Ų144141.2 Ų141.263%0.63278%0.779SS**  trans-61.4136.8175.3-66.6-86.7000111.3F475F473-F475 HydrophobicContact CB-CD2 4.06Å; F473-F475 HydrophobicContact CB-CE2 3.71Å; F473-F475 HydrophobicContact CG-CE2 4.37Å
474S32Very low31.3Very low116 Ų116142.2 Ų142.281%0.81178%0.78SS**  trans-118.163-170.5-66.50000111.2K472K472-S474 PolarHBondContact O-OG 2.98Å
475F33.4Very low30.6Very low153 Ų153142.7 Ų142.767%0.67178%0.781SS**  trans-64.2140.9177.2-69.3-78.3000112.1F473F473-F475 HydrophobicContact CB-CD2 4.06Å; F473-F475 HydrophobicContact CB-CE2 3.71Å; F473-F475 HydrophobicContact CG-CE2 4.37Å
476L36.3Very low31.3Very low175 Ų175140 Ų14092%0.91678%0.777SS**  trans6878171.7-51-178.9000117.6
477R29Very low30.7Very low235 Ų235141.2 Ų141.289%0.88777%0.773SS**  trans-14797.3141.2-176.5173.2-77.6-159.9-4.6111.9
478G31.7Very low30.4Very low83 Ų83144.4 Ų144.486%0.85678%0.777SS**  trans-64135.5165.600000111.1
479Q28.1Very low30.2Very low164 Ų164142.1 Ų142.177%0.76677%0.772SS**  trans-107.6106.7-173.4-173174.93.500111.1
480R33.2Very low29.7Very low245 Ų245141.7 Ų141.793%0.92577%0.771SS**PPolyproline II helixtrans-100.4135.3158.3-90.3-171.8177.7179.91.3109.3
481Q27.6Very low29.5Very low156 Ų156146.6 Ų146.673%0.72978%0.78SS**PPolyproline II helixtrans-74.5152.3173-70.4-70.1600111
482P27.5Very low29.2Very low113 Ų113147.5 Ų147.573%0.73478%0.781SS**PPolyproline II helixtrans-95.5154.5-171.436.8-35000113.8
483S23.5Very low28.9Very low114 Ų114147.8 Ų147.880%0.79778%0.784SS**  trans-144129.5154.152.40000111.5
484V24.6Very low28.5Very low142 Ų142147.9 Ų147.986%0.86179%0.792SS**  trans39.5120.9152.6-170.50000119.9
485T23.5Very low28.3Very low126 Ų126145.4 Ų145.477%0.77378%0.784SS**  trans-96.9178.4165.254.90000110.5
486P42.4Very low28.5Very low111 Ų111144 Ų14472%0.72179%0.791SS**  cis-137.3169.74.739.8-21.5000117
487E23Very low28.3Very low146 Ų146147.8 Ų147.868%0.68279%0.793SS**  168.8143.5121.4-86.9-103.984.100114.6
488K27.4Very low28.6Very low163 Ų163146.4 Ų146.471%0.70979%0.793SS**  trans37.7116.2151.8-67.7177.8-179.980.70123.7
489A24Very low28.8Very low88 Ų88148.8 Ų148.873%0.72779%0.791SS**  90.6113.3118.800000122.8
490S24.6Very low28.9Very low106 Ų106148.3 Ų148.374%0.74179%0.793SS**  trans53.6114.7138.1630000121.7
491L25.8Very low28.7Very low175 Ų175143 Ų14392%0.91679%0.792SS**  -164.6168.693-100165.2000111
492Q28.5Very low28.9Very low157 Ų157141.1 Ų141.173%0.73480%0.796SS**  trans-94.3152.4-178.8-61.1-171.530.100112.4
493H27Very low29.2Very low191 Ų191143.1 Ų143.188%0.88480%0.799SS**  -156.9142119.8-116-82.3000111
494N25.8Very low29.5Very low147 Ų147148.2 Ų148.279%0.78680%0.803SS**  trans-96.8149.1177-81.3-60.3000111.7
495G28.7Very low29.7Very low64 Ų64146.5 Ų146.566%0.6680%0.797SS**  trans-138.2147.5167.300000110.8W497G495-W497 PolarHBondContact O-N 2.88Å
496P35.6Very low29.9Very low124 Ų124146.2 Ų146.281%0.80580%0.797SS**  trans-109.576.3-148.239.3-32.7000115.4K498P496-K498 PolarHBondContact O-N 3.22Å
497W33.8Very low29.3Very low254 Ų254149.8 Ų149.896%0.96280%0.802SS**  trans-96.444.6177.3-80.535.1000113.7G495G495-W497 PolarHBondContact O-N 2.88Å
498K34.7Very low29.6Very low205 Ų205148.9 Ų148.989%0.89181%0.809SS**  trans-142.247.5176.8-84.4-147.2172.5-168.90115.6P496P496-K498 PolarHBondContact O-N 3.22Å
499V36.6Very low29.6Very low133 Ų133149.1 Ų149.181%0.80682%0.817SS**SBendtrans-137.8120.5152.9-176.80000108.1
500L30Very low29.8Very low155 Ų155156.5 Ų156.581%0.81283%0.826SS**SBendtrans168.4-47.9149.6-94.9164.5000110.4S502L500-S502 VanDerWaalsContact C-N 3.29Å; L500-S502 PolarHBondContact O-N 3.16Å
501C29.2Very low29.9Very low133 Ų133155.7 Ų155.790%0.89983%0.826SS**THydrogen-bonded Turntrans-76.964.5-179-53.10000113.3
502S31.5Very low30.2Very low116 Ų116157.3 Ų157.381%0.81183%0.826SS**THydrogen-bonded Turntrans-150.58.7179.4-69.30000116.8L500L500-S502 VanDerWaalsContact C-N 3.29Å; L500-S502 PolarHBondContact O-N 3.16Å
503L33.2Very low30.3Very low155 Ų155155.9 Ų155.981%0.81283%0.833SS**SBendtrans-95.1-20.4-179-72.1175.5000115.7
504Y29.4Very low30.4Very low221 Ų221155.4 Ų155.487%0.86784%0.836SS**SBendtrans-135.490-178.2-72.7-83.9000113.7
505S28.9Very low30.5Very low106 Ų106151.8 Ų151.874%0.74183%0.834SS**  trans-179.6111.4150.8-87.30000111.7K507S505-K507 PolarHBondContact O-N 2.97Å
506P28.5Very low30.6Very low120 Ų120158.9 Ų158.978%0.77985%0.846SS**PPolyproline II helixtrans-77.7118.8174.130.8-32.1000111.2
507K29.9Very low30.2Very low187 Ų187157.6 Ų157.681%0.81385%0.846SS**PPolyproline II helixtrans-89133.3173-72-179.9177.9175.20111S505 N509S505-K507 PolarHBondContact O-N 2.97Å; K507-N509 PolarHBondContact O-N 3.49Å
508P28.8Very low29.9Very low127 Ų127149.1 Ų149.183%0.82584%0.837SS**PPolyproline II helixtrans-77.3118.5-177.129.5-34.2000112.5R510P508-R510 PolarHBondContact O-N 3.22Å
509N27.5Very low29.6Very low167 Ų167144.9 Ų144.989%0.89383%0.829SS**  trans-82.8103170.3-89.2-35000110.7K507 A511K507-N509 PolarHBondContact O-N 3.49Å; N509-A511 PolarHBondContact O-N 3.08Å
510R27.3Very low29.2Very low243 Ų243144.8 Ų144.892%0.91783%0.829SS**  trans-76.987177.2-171176.5-175.8167.92.7111.6P508P508-R510 PolarHBondContact O-N 3.22Å
511A28Very low29.2Very low90 Ų90145.2 Ų145.274%0.74483%0.827SS**PPolyproline II helixtrans-63.2147.5166.800000111.2N509N509-A511 PolarHBondContact O-N 3.08Å
512K31.8Very low29Very low209 Ų209144.5 Ų144.591%0.90982%0.819SS**PPolyproline II helixtrans-94.7123.5170.8-65.4179.4-178.91790109.1
513S29.6Very low29Very low126 Ų126147.8 Ų147.888%0.88182%0.818SS**PPolyproline II helixtrans-102.9142.6164.250.40000110.1
514L30.6Very low28.7Very low181 Ų181146.5 Ų146.595%0.94882%0.817SS**  trans-114.2110.6177174.365.1000107.8
515G27.6Very low28.6Very low71 Ų71141.2 Ų141.273%0.73281%0.812SS**  trans-136135.5178.900000110.5
516K29.9Very low28.3Very low214 Ų214139 Ų13993%0.9381%0.807SS**  trans-82.9139.4-177.8-65.7177.4178.7177.40110.9
517A26.9Very low29.3Very low96 Ų96139.4 Ų139.479%0.79381%0.809SS**  trans-86.4148.7160.200000110.7
518G27.2Very low29.3Very low76 Ų76134.8 Ų134.878%0.78481%0.805SS**  trans-110.5158.5162.200000109.9
519T29Very low29.1Very low117 Ų117135.4 Ų135.472%0.71881%0.807SS**  trans-142.2127-165.3-56.60000114.6Q521T519-Q521 HydrophobicContact CG2-CG 4.48Å
520T28.7Very low29.1Very low131 Ų131131.5 Ų131.580%0.80480%0.798SS**  trans-153.7114.7152.142.20000105.5
521Q30.7Very low29.8Very low163 Ų163126 Ų12676%0.76279%0.794SS**  56129.572.8-56.9-162.845.300111.9T519T519-Q521 HydrophobicContact CG2-CG 4.48Å
522T24.4Very low29.8Very low119 Ų119126.8 Ų126.873%0.7379%0.794SS**  cis-159.2130.848.4-58.40000110.1
523K30.2Very low30.2Very low185 Ų185122.3 Ų122.380%0.80479%0.786SS**  35.5150.7108.2-68.7-170.3176.6-1760117.6
524T27.1Very low30.1Very low128 Ų128124.1 Ų124.179%0.78579%0.785SS**  cis174.1154.7-7-83.90000106.2
525S28.2Very low29.9Very low110 Ų110121.7 Ų121.777%0.76978%0.778SS**  cis-146-171.811.357.60000112.8
526G22.6Very low29.7Very low60 Ų60127.1 Ų127.162%0.61978%0.784SS**  trans-94.1-143.6158.300000112.9
527P49.8Very low29.5Very low128 Ų128125.8 Ų125.883%0.83178%0.781SS**  cis-143.6174.716.144.1-25.7000119
528A28.4Very low29.5Very low89 Ų89130.3 Ų130.374%0.73678%0.783SS**  trans41.1139.1146.800000121.9
529T24.9Very low29.3Very low140 Ų140131.2 Ų131.286%0.85978%0.784SS**  -172.416070.3-610000111.6
530A27.8Very low29.1Very low86 Ų86130.5 Ų130.571%0.71179%0.789SS**  trans-110.3-176.3179.400000111.4
531P42.8Very low29Very low126 Ų126131.6 Ų131.682%0.81879%0.79SS**  cis-135.9-171.64.743.4-24.3000115.9
532S27.6Very low29.6Very low108 Ų108128.6 Ų128.676%0.75578%0.784SS**  trans-77.5176171.1-36.70000112.7
533P40.7Very low29.7Very low114 Ų114131.6 Ų131.674%0.7479%0.79SS**  -159.1-177.976.844.2-23.4000119.1
534L27.7Very low29.5Very low165 Ų165127 Ų12786%0.86479%0.787SS**  trans82.8167.8159.2-59.4-172.3000121.1
535T25.7Very low29.5Very low130 Ų130126.6 Ų126.680%0.79879%0.789SS**  trans-145.5135.8-141.4-53.10000112.7
536E24.5Very low29.6Very low184 Ų184126.2 Ų126.286%0.8679%0.792SS**  trans175.9159.2160.8-104.6160.8-157.800107.8
537E23.7Very low29.6Very low186 Ų186127.4 Ų127.487%0.86981%0.805SS**  cis-141.1-148.9-17.7-156.6-178.350.500109.3
538K26.8Very low28.6Very low191 Ų191127 Ų12783%0.8380%0.804SS**  trans-132.2167.9-153.9-171.9-178178.6-175.10113.6
539A24.7Very low29.2Very low96 Ų96127.9 Ų127.979%0.79380%0.803SS**  trans81.5159.4166.600000116.1
540A23.5Very low29.5Very low101 Ų101130.3 Ų130.384%0.83580%0.804SS**  cis-142.6171.97.500000113.6
541L28.1Very low29.5Very low155 Ų155138.4 Ų138.481%0.81282%0.817SS**  trans-98.8160.1169.2-124163.9000109.4
542P42Very low28.8Very low99 Ų99135.2 Ų135.264%0.64381%0.806SS**  -151.9159.1103.139.7-22.7000117.1
543E26.2Very low28.9Very low182 Ų182136.5 Ų136.585%0.8581%0.812SS**  trans38.3157.5134.5-59.3-179.1119.400123.5
544A25.7Very low28.1Very low90 Ų90137.1 Ų137.174%0.74481%0.814SS**  cis-178.2154.2-27.400000109.1
545S28.6Very low28.2Very low119 Ų119137.2 Ų137.283%0.83282%0.815SS**  trans164126.9135.2-170.50000114.8
546A29.8Very low28.2Very low102 Ų102139.8 Ų139.884%0.84382%0.818SS**  trans28.6125.5151.600000123.3
547G23.5Very low28.5Very low85 Ų85140.3 Ų140.388%0.87682%0.82SS**  trans172.688.7160.500000114.9
548S27.4Very low28.6Very low118 Ų118139.3 Ų139.383%0.82582%0.815SS**  trans-109.4170.9175.358.90000110.8
549P40.6Very low28.8Very low109 Ų109134.4 Ų134.471%0.70880%0.803SS**  cis-139.3176.814.643.8-25.3000118.2
550E31.4Very low29.3Very low190 Ų190136.2 Ų136.289%0.88881%0.807SS**  trans47.2112152.9-70.6-173.3138.600122.3
551R28.5Very low29.5Very low257 Ų257133.9 Ų133.997%0.9779%0.793SS**  trans-143.1152.8132.2-145.4171.1-168.1-1803.2110
552G28.8Very low29.7Very low58 Ų58132.4 Ų132.460%0.59879%0.792SS**PPolyproline II helixtrans-68.7166.2-170.600000115.2T554G552-T554 PolarHBondContact O-N 2.83Å
553P29.4Very low29.2Very low135 Ų135136.1 Ų136.188%0.87780%0.801SS**PPolyproline II helixtrans-70.5120.5-172.728.4-34.7000112.5
554T23.2Very low29.5Very low128 Ų128133 Ų13379%0.78580%0.796SS**PPolyproline II helixtrans-62.6138.6156.3-50.70000108.5G552G552-T554 PolarHBondContact O-N 2.83Å
555L29.7Very low30Very low167 Ų167137.7 Ų137.787%0.87480%0.795SS**PPolyproline II helixtrans-75.7125.7166.8-76.3167.4000108.7
556E25.1Very low31Very low184 Ų184135.1 Ų135.186%0.8677%0.771SS**PPolyproline II helixtrans-58.6142.4177.2-69.4-89.49800111.3E558E556-E558 PolarHBondContact O-N 2.95Å
557E32.1Very low31.7Very low194 Ų194132.9 Ų132.991%0.90776%0.758SS**  trans-85.598.8174.5-168.1171-171.200108.8
558E25.7Very low32.9Very low166 Ų166132.3 Ų132.378%0.77675%0.745SS**  trans-58.7140.2179-114-85.9113.900111.2E556E556-E558 PolarHBondContact O-N 2.95Å
559P31.4Very low34.5Very low87 Ų87127.9 Ų127.957%0.56571%0.712SS**  trans-60.6160.7176.2-21.434.3000112.2G561P559-G561 PolarHBondContact O-N 3.05Å
560P34.1Very low35.6Very low134 Ų134124.2 Ų124.287%0.8769%0.694SS**  trans-64.198.717526.7-34.2000110.6
561G28.8Very low37.4Very low53 Ų53118.6 Ų118.655%0.54667%0.672SS.*PPolyproline II helixtrans-60.7161.5-18000000113.6P559P559-G561 PolarHBondContact O-N 3.05Å
562P31Very low39.6Very low124 Ų124112.7 Ų112.781%0.80565%0.654SS**PPolyproline II helixtrans-62.6152.2-173.926.6-35.4000112.9
563E31.7Very low42.1Very low177 Ų177110.1 Ų110.183%0.82763%0.626SS**PPolyproline II helixtrans-49.8144.1178.8-65.5-170.8136.100112.4R565E563-R565 PolarHBondContact O-N 2.9Å
564P33Very low44.4Very low115 Ų115104 Ų10475%0.74759%0.586SS**  trans-64.2100.1-168.925-34.9000112.1I566P564-I566 PolarHBondContact O-N 3.15Å
565R37.3Very low47.1Very low190 Ų190101.4 Ų101.472%0.71756%0.562SS**  trans-62108.4177.2-65.8-17767.7179.10.6110.1E563 G567 F730E563-R565 PolarHBondContact O-N 2.9Å; R565-G567 PolarHBondContact O-N 2.96Å; R565-G567 VanDerWaalsContact O-N 3.11Å; R565-F730 HydrophobicContact CB-CE1 4.07Å
566I49.5Very low49.6Very low65 Ų6594.3 Ų94.333%0.33353%0.526SS..G310 helixtrans-60.8-21.2-171.7-68.2156000113.8P564 A568 L569 Y618 T726 F730P564-I566 PolarHBondContact O-N 3.15Å; I566-A568 PolarHBondContact O-N 3.37Å; I566-L569 PolarHBondContact O-N 3.1Å; I566-Y618 HydrophobicContact CD1-CD2 4.21Å; I566-Y618 HydrophobicContact CG1-CD2 4.5Å; I566-Y618 HydrophobicContact CG2-CD2 3.59Å; I566-Y618 HydrophobicContact CG2-CE2 3.97Å; I566-Y618 HydrophobicContact CG2-CG 4.34Å; I566-T726 HydrophobicContact CG2-CG2 4.02Å; I566-F730 HydrophobicContact CB-CE2 3.73Å; I566-F730 HydrophobicContact CB-CZ 3.82Å; I566-F730 HydrophobicContact CG2-CE2 4.29Å
567G44Very low52.4Low55 Ų5591.8 Ų91.857%0.56751%0.509SS*.G310 helixtrans-62.512.6-178.300000117.6R565R565-G567 PolarHBondContact O-N 2.96Å; R565-G567 VanDerWaalsContact O-N 3.11Å
568A48.5Very low55.1Low72 Ų7282.6 Ų82.660%0.59547%0.466SS*.G310 helixtrans-120.710.9178.200000114.3I566 G570I566-A568 PolarHBondContact O-N 3.37Å; A568-G570 PolarHBondContact O-N 3.2Å
569L60.3Low58.2Low25 Ų2574.8 Ų74.813%0.13143%0.43CS..SBendtrans-73.7124.5173.2-160.481000110.6I566 V571 V573 F574 K614 L615I566-L569 PolarHBondContact O-N 3.1Å; L569-V571 PolarHBondContact O-N 3.27Å; L569-V573 HydrophobicContact CD2-CB 4.5Å; L569-V573 HydrophobicContact CD2-CG1 4.24Å; L569-V573 HydrophobicContact CG-CB 4.39Å; L569-V573 HydrophobicContact CG-CG1 4.39Å; L569-F574 HydrophobicContact CB-CE2 4.25Å; L569-F574 HydrophobicContact CD2-CD2 3.93Å; L569-F574 HydrophobicContact CD2-CE1 4.09Å; L569-F574 HydrophobicContact CD2-CE2 3.47Å; L569-F574 VanDerWaalsContact CD2-CE2 3.47Å; L569-F574 HydrophobicContact CD2-CG 4.43Å; L569-F574 HydrophobicContact CD2-CZ 3.54Å; L569-F574 HydrophobicContact CG-CE2 4.34Å; L569-K614 HydrophobicContact CD1-CB 3.34Å; L569-K614 HydrophobicContact CD1-CD 4.11Å; L569-K614 HydrophobicContact CD1-CG 4.41Å; L569-L615 HydrophobicContact CD2-CB 4.09Å; L569-L615 HydrophobicContact CD2-CD1 3.84Å
570G63.4Low61Low32 Ų3270.8 Ų70.833%0.3340%0.404SS..  trans-61.5131.2-176.100000113.3A568 K572 V573A568-G570 PolarHBondContact O-N 3.2Å; G570-K572 PolarHBondContact O-N 3.18Å; G570-V573 WeakPolarHBondContact O-CA 3.2Å; G570-V573 VanDerWaalsContact O-CB 3.23Å; G570-V573 WeakPolarHBondContact O-CB 3.09Å; G570-V573 PolarHBondContact O-N 3.37Å
571V69.9Low63.7Low72 Ų7265.3 Ų65.344%0.43637%0.367SS..Hα-helixtrans-47.9-36175.5164.90000113L569 V573 F574 R575L569-V571 PolarHBondContact O-N 3.27Å; V571-V573 VanDerWaalsContact C-N 3.33Å; V571-V573 PolarHBondContact O-N 3.16Å; V571-F574 PolarHBondContact O-N 3.39Å; V571-R575 VanDerWaalsContact CG1-CZ 3.48Å; V571-R575 WeakPolarHBondContact O-CG 3.33Å; V571-R575 PolarHBondContact O-N 3.47Å
572K74.8Confident66.6Low134 Ų13463.5 Ų63.558%0.58335%0.346SS*.Hα-helixtrans-63.2-35.6176.9-60.8179.4-178.4177.90112.7G570 R575 S576 W606G570-K572 PolarHBondContact O-N 3.18Å; K572-R575 PolarHBondContact O-N 2.6Å; K572-S576 WeakPolarHBondContact O-CB 3.42Å; K572-S576 PolarHBondContact O-N 2.82Å; K572-S576 VanDerWaalsContact O-N 3.08Å; K572-W606 HydrophobicContact CB-CD2 3.91Å; K572-W606 HydrophobicContact CB-CE3 4.28Å; K572-W606 HydrophobicContact CB-CG 4.31Å; K572-W606 HydrophobicContact CB-CZ2 4.34Å; K572-W606 HydrophobicContact CD-CG 4.33Å
573V80.6Confident69.3Low3 Ų360.1 Ų60.12%0.01833%0.333CS..Hα-helixtrans-65.6-41.9178.4-177.40000110.7L569 G570 V571 S576 W606 E611 L615L569-V573 HydrophobicContact CD2-CB 4.5Å; L569-V573 HydrophobicContact CD2-CG1 4.24Å; L569-V573 HydrophobicContact CG-CB 4.39Å; L569-V573 HydrophobicContact CG-CG1 4.39Å; G570-V573 WeakPolarHBondContact O-CA 3.2Å; G570-V573 VanDerWaalsContact O-CB 3.23Å; G570-V573 WeakPolarHBondContact O-CB 3.09Å; G570-V573 PolarHBondContact O-N 3.37Å; V571-V573 VanDerWaalsContact C-N 3.33Å; V571-V573 PolarHBondContact O-N 3.16Å; V573-S576 WeakPolarHBondContact O-CB 3.17Å; V573-S576 PolarHBondContact O-N 2.83Å; V573-S576 PolarHBondContact O-OG 3.4Å; V573-W606 HydrophobicContact CG2-CE3 3.95Å; V573-W606 HydrophobicContact CG2-CZ3 4.39Å; V573-E611 HydrophobicContact CG2-CB 3.99Å; V573-E611 HydrophobicContact CG2-CG 4.35Å; V573-L615 HydrophobicContact CG1-CB 3.99Å; V573-L615 HydrophobicContact CG1-CD1 4.48Å; V573-L615 HydrophobicContact CG1-CD2 3.97Å; V573-L615 HydrophobicContact CG1-CG 4.36Å
574F78.5Confident72Confident8 Ų851.7 Ų51.74%0.03529%0.294CS..Hα-helixtrans-66.6-44.6173.6-80.9-64000112.7L569 V571 S576 L615 Y618 H715 W718 V719L569-F574 HydrophobicContact CB-CE2 4.25Å; L569-F574 HydrophobicContact CD2-CD2 3.93Å; L569-F574 HydrophobicContact CD2-CE1 4.09Å; L569-F574 HydrophobicContact CD2-CE2 3.47Å; L569-F574 VanDerWaalsContact CD2-CE2 3.47Å; L569-F574 HydrophobicContact CD2-CG 4.43Å; L569-F574 HydrophobicContact CD2-CZ 3.54Å; L569-F574 HydrophobicContact CG-CE2 4.34Å; V571-F574 PolarHBondContact O-N 3.39Å; F574-S576 PolarHBondContact O-N 3.23Å; F574-L615 HydrophobicContact CD1-CD1 3.78Å; F574-L615 HydrophobicContact CE1-CD1 3.67Å; F574-L615 HydrophobicContact CZ-CD1 4.44Å; F574-Y618 AromaticContact CE1-CD1 3.71Å; F574-Y618 HydrophobicContact CE1-CD1 3.71Å; F574-Y618 AromaticContact CE1-CE1 3.6Å; F574-Y618 HydrophobicContact CE1-CE1 3.6Å; F574-Y618 AromaticContact CZ-CD1 3.54Å; F574-Y618 HydrophobicContact CZ-CD1 3.54Å; F574-Y618 AromaticContact CZ-CE1 3.44Å; F574-Y618 HydrophobicContact CZ-CE1 3.44Å; F574-Y618 VanDerWaalsContact CZ-CE1 3.44Å; F574-Y618 HydrophobicContact CZ-CG 4.45Å; F574-H715 PolarHBondContact O-CE1 3.21Å; F574-H715 PolarHBondContact O-NE2 2.95Å; F574-W718 HydrophobicContact CD1-CH2 4.2Å; F574-W718 HydrophobicContact CD1-CZ3 4.13Å; F574-V719 HydrophobicContact CB-CG1 4.29Å; F574-V719 HydrophobicContact CB-CG2 4.39Å; F574-V719 WeakPolarHBondContact O-CG2 3.3Å
575R80.8Confident74.9Confident72 Ų7250.3 Ų50.327%0.27227%0.274SS..Hα-helixtrans-68.9-10.5-179.9-67.1178.2-177168.91.7114.1D127 C129 V571 K572 R577 H715 V719D127-R575 IonicContact OD2-CZ 3.92Å; D127-R575 IonicContact OD2-NH1 2.71Å; D127-R575 PolarHBondContact OD2-NH1 3.4Å; D127-R575 IonicContact OD2-NH2 3.75Å; D127-R575 PolarHBondContact OD2-NH2 3.07Å; C129-R575 VanDerWaalsContact C-NH2 3.32Å; C129-R575 PolarHBondContact O-NH2 2.73Å; V571-R575 VanDerWaalsContact CG1-CZ 3.48Å; V571-R575 WeakPolarHBondContact O-CG 3.33Å; V571-R575 PolarHBondContact O-N 3.47Å; K572-R575 PolarHBondContact O-N 2.6Å; R575-R577 VanDerWaalsContact C-N 3.35Å; R575-R577 PolarHBondContact O-N 3.04Å; R575-H715 PolarHBondContact O-NE2 3.02Å; R575-V719 HydrophobicContact CG-CG1 3.98Å
576S80.8Confident77.5Confident18 Ų1841.9 Ų41.913%0.12624%0.243CC..THydrogen-bonded Turntrans-71-17.1-171.271.20000116.4K572 V573 F574 I578K572-S576 WeakPolarHBondContact O-CB 3.42Å; K572-S576 PolarHBondContact O-N 2.82Å; K572-S576 VanDerWaalsContact O-N 3.08Å; V573-S576 WeakPolarHBondContact O-CB 3.17Å; V573-S576 PolarHBondContact O-N 2.83Å; V573-S576 PolarHBondContact O-OG 3.4Å; F574-S576 PolarHBondContact O-N 3.23Å; S576-I578 PolarHBondContact O-N 2.94Å; S576-I578 VanDerWaalsContact OG-CB 3.32Å; S576-I578 WeakPolarHBondContact OG-CB 3.47Å; S576-I578 WeakPolarHBondContact OG-CD1 3.38Å; S576-I578 VanDerWaalsContact OG-CG1 3.28Å; S576-I578 WeakPolarHBondContact OG-CG1 3.47Å; S576-I578 PolarHBondContact OG-N 3.13Å
577R85.1Confident79.5Confident132 Ų13245.3 Ų45.350%0.49825%0.251SS..  trans59.311.3-166.8-59.3177.1-174.3-134.2-0.6115.7R575 A579 S596 H715R575-R577 VanDerWaalsContact C-N 3.35Å; R575-R577 PolarHBondContact O-N 3.04Å; R577-A579 PolarHBondContact O-N 3.32Å; R577-S596 WeakPolarHBondContact O-CB 3.27Å; R577-S596 PolarHBondContact O-OG 3.31Å; R577-H715 HydrophobicContact CG-CB 4.3Å; R577-H715 WeakPolarHBondContact CG-CD2 3.38Å; R577-H715 WeakPolarHBondContact CG-NE2 3.46Å; R577-H715 PolarHBondContact N-NE2 3.49Å
578I88.8Confident81.7Confident0 Ų046 Ų460%025%0.252CS..SBendtrans-56.5-51.5178.4-75.6166000111.7S576 V595 S596 A601 W602 W606 C607 V612 L615S576-I578 PolarHBondContact O-N 2.94Å; S576-I578 VanDerWaalsContact OG-CB 3.32Å; S576-I578 WeakPolarHBondContact OG-CB 3.47Å; S576-I578 WeakPolarHBondContact OG-CD1 3.38Å; S576-I578 VanDerWaalsContact OG-CG1 3.28Å; S576-I578 WeakPolarHBondContact OG-CG1 3.47Å; S576-I578 PolarHBondContact OG-N 3.13Å; I578-V595 CarbonylContact O-C 3.36Å; I578-V595 VanDerWaalsContact O-CA 3.27Å; I578-V595 WeakPolarHBondContact O-CA 3.25Å; I578-S596 PolarHBondContact O-N 2.98Å; I578-A601 HydrophobicContact CD1-CB 4.13Å; I578-A601 HydrophobicContact CG1-CB 3.77Å; I578-W602 HydrophobicContact CG1-CZ2 4.45Å; I578-W602 HydrophobicContact CG2-CH2 3.72Å; I578-W602 HydrophobicContact CG2-CZ2 3.56Å; I578-W606 HydrophobicContact CD1-CZ3 4.2Å; I578-C607 HydrophobicContact CD1-CB 4.41Å; I578-C607 WeakPolarHBondContact CD1-SG 3.34Å; I578-V612 HydrophobicContact CG2-CG1 4.31Å; I578-V612 HydrophobicContact CG2-CG2 4.47Å; I578-L615 HydrophobicContact CG2-CD2 4.42Å
579A90.5Very high83.7Confident3 Ų343.6 Ų43.63%0.02524%0.235CC..EExtended strand (participates in β ladder)trans-141.4141.7176.100000110.6R577 L593 L594 V595 L615 L616 L619R577-A579 PolarHBondContact O-N 3.32Å; A579-L593 HydrophobicContact CB-CD1 4.47Å; A579-L594 CarbonylContact C-O 3.57Å; A579-L594 WeakPolarHBondContact CA-O 3.36Å; A579-V595 HydrophobicContact CB-CG2 4.09Å; A579-L615 HydrophobicContact CB-CD2 3.89Å; A579-L616 HydrophobicContact CB-CD2 3.89Å; A579-L619 HydrophobicContact CB-CD1 3.97Å
580C90.4Very high85.2Confident3 Ų344.1 Ų44.12%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-154.8153.3-179.359.90000113.2P582 L593 L594 Y713 W718C580-P582 WeakPolarHBondContact O-CD 3.48Å; C580-L593 WeakPolarHBondContact O-CD1 3.29Å; C580-L594 PolarHBondContact N-O 3.15Å; C580-L594 PolarHBondContact O-N 3.44Å; C580-Y713 WeakPolarHBondContact CB-OH 3.46Å; C580-Y713 PolarHBondContact SG-OH 2.86Å; C580-W718 HydrophobicContact CB-CD2 4.29Å; C580-W718 HydrophobicContact CB-CE3 4.36Å; C580-W718 HydrophobicContact CB-CH2 4.01Å; C580-W718 HydrophobicContact CB-CZ2 3.92Å; C580-W718 HydrophobicContact CB-CZ3 4.23Å
581L90.6Very high86.6Confident18 Ų1843.3 Ų43.39%0.09422%0.224CC..  trans-104.991.5175.2-70.2174.4000109.7G583 L592 L593 L619 I622 L632 W718L581-G583 PolarHBondContact O-N 2.93Å; L581-L592 WeakPolarHBondContact CD2-O 3.44Å; L581-L593 HydrophobicContact CD2-CB 3.96Å; L581-L593 HydrophobicContact CD2-CD1 3.62Å; L581-L593 HydrophobicContact CD2-CG 4.43Å; L581-L593 HydrophobicContact CG-CD1 3.9Å; L581-L619 HydrophobicContact CD1-CB 4.25Å; L581-L619 HydrophobicContact CD1-CD2 4.35Å; L581-L619 WeakPolarHBondContact CD1-O 3.25Å; L581-L619 HydrophobicContact CG-CB 4.4Å; L581-L619 HydrophobicContact CG-CD2 4.49Å; L581-I622 HydrophobicContact CD1-CB 3.73Å; L581-I622 HydrophobicContact CD1-CD1 3.93Å; L581-I622 HydrophobicContact CD1-CG1 4.43Å; L581-I622 HydrophobicContact CD1-CG2 3.77Å; L581-L632 HydrophobicContact CD2-CD2 3.57Å; L581-W718 VanDerWaalsContact O-CD1 3.28Å; L581-W718 PolarHBondContact O-NE1 2.92Å
582P88.1Confident87.8Confident16 Ų1640.2 Ų40.210%0.10421%0.205CC..  trans-64.8-21.8177.526-34.8000113C580 F711 Y713C580-P582 WeakPolarHBondContact O-CD 3.48Å; P582-F711 WeakPolarHBondContact O-CE1 3.48Å; P582-F711 WeakPolarHBondContact O-CZ 3.4Å; P582-Y713 HydrophobicContact CB-CD2 3.84Å; P582-Y713 HydrophobicContact CB-CE2 4.32Å; P582-Y713 HydrophobicContact CB-CG 4.03Å
583G87.8Confident88.7Confident52 Ų5233.9 Ų33.954%0.53618%0.177SC..SBendtrans101.3-7.817800000115L581L581-G583 PolarHBondContact O-N 2.93Å
584G90.3Very high89.3Confident0 Ų034.4 Ų34.40%018%0.18CC..  trans-65.9168.3169.100000113.5L592G584-L592 WeakPolarHBondContact O-CB 3.11Å; G584-L592 PolarHBondContact O-N 3.11Å
585R92.5Very high90Very high86 Ų8634 Ų3433%0.32518%0.178SC..BIsolated β-bridgetrans-132.9153.3-178.2-65.2175.8-177.2-105.31.1113.3G589 R590 D627 Q702R585-G589 PolarHBondContact NH1-O 3.14Å; R585-R590 VanDerWaalsContact CA-O 3.24Å; R585-R590 WeakPolarHBondContact CA-O 3.5Å; R585-R590 WeakPolarHBondContact CB-O 3.45Å; R585-D627 IonicContact CZ-OD1 3.39Å; R585-D627 IonicContact CZ-OD2 3.2Å; R585-D627 IonicContact NH1-OD1 2.95Å; R585-D627 PolarHBondContact NH1-OD1 3.21Å; R585-D627 IonicContact NH1-OD2 2.7Å; R585-D627 PolarHBondContact NH1-OD2 3.33Å; R585-D627 IonicContact NH2-OD1 2.68Å; R585-D627 IonicContact NH2-OD2 3.1Å; R585-D627 PolarHBondContact NH2-OD2 2.73Å; R585-Q702 VanDerWaalsContact N-OE1 3.08Å
586D92.9Very high90.1Very high13 Ų1331.9 Ų31.97%0.0717%0.174CC..BIsolated β-bridgetrans-77.5174.7168.884.5-13.5000112A588 G589 R590 L592 A633 V698D586-A588 PolarHBondContact O-N 3.09Å; D586-A588 VanDerWaalsContact OD1-C 3.3Å; D586-A588 VanDerWaalsContact OD1-CA 3.32Å; D586-A588 WeakPolarHBondContact OD1-CA 3.35Å; D586-A588 WeakPolarHBondContact OD1-CB 3.23Å; D586-A588 PolarHBondContact OD1-N 3.28Å; D586-G589 PolarHBondContact O-N 3.4Å; D586-G589 PolarHBondContact OD1-N 3.47Å; D586-R590 PolarHBondContact N-O 2.82Å; D586-R590 VanDerWaalsContact N-O 3.08Å; D586-R590 WeakPolarHBondContact OD1-CB 3.45Å; D586-R590 PolarHBondContact OD1-N 3Å; D586-R590 IonicContact OD1-NE 3.73Å; D586-R590 IonicContact OD2-CZ 2.67Å; D586-R590 IonicContact OD2-NE 3.57Å; D586-R590 PolarHBondContact OD2-NE 3Å; D586-R590 IonicContact OD2-NH2 3.69Å; D586-R590 PolarHBondContact OD2-NH2 3Å; D586-L592 HydrophobicContact CB-CD2 4.17Å; D586-A633 HydrophobicContact CB-CB 4.2Å; D586-V698 HydrophobicContact CB-CG2 4.23Å
587R91.9Very high90.3Very high137 Ų13731.1 Ų31.152%0.51717%0.169SC..THydrogen-bonded Turntrans-69.7-11.5178.4-66.2-165.4-169.9-73.8-2.3114.5G589 S695 H696 H697 D699R587-G589 VanDerWaalsContact C-N 3.31Å; R587-S695 PolarHBondContact NE-O 3.36Å; R587-S695 PolarHBondContact NH2-O 3.14Å; R587-H696 VanDerWaalsContact CD-O 3.25Å; R587-H696 WeakPolarHBondContact CD-O 3.2Å; R587-H696 PolarHBondContact NE-O 2.96Å; R587-H697 WeakPolarHBondContact CG-O 3.48Å; R587-H697 PolarHBondContact N-O 2.82Å; R587-D699 IonicContact CZ-OD2 3.39Å; R587-D699 IonicContact NH1-OD2 2.8Å; R587-D699 PolarHBondContact NH1-OD2 3.29Å; R587-D699 IonicContact NH2-OD2 2.7Å; R587-D699 PolarHBondContact NH2-OD2 3.3Å; R587-D699 VanDerWaalsContact NH2-OD2 3.09Å
588A89.8Confident89.9Confident69 Ų6927.9 Ų27.957%0.5716%0.164SC*.THydrogen-bonded Turntrans-87-1.2168.200000112.6D586 R590D586-A588 PolarHBondContact O-N 3.09Å; D586-A588 VanDerWaalsContact OD1-C 3.3Å; D586-A588 VanDerWaalsContact OD1-CA 3.32Å; D586-A588 WeakPolarHBondContact OD1-CA 3.35Å; D586-A588 WeakPolarHBondContact OD1-CB 3.23Å; D586-A588 PolarHBondContact OD1-N 3.28Å; A588-R590 VanDerWaalsContact C-N 3.31Å; A588-R590 HydrophobicContact CB-CG 4.39Å
589G89.3Confident88.8Confident23 Ų2333 Ų3324%0.23719%0.187CC..  trans7811-179.100000114.4R585 D586 R587R585-G589 PolarHBondContact NH1-O 3.14Å; D586-G589 PolarHBondContact O-N 3.4Å; D586-G589 PolarHBondContact OD1-N 3.47Å; R587-G589 VanDerWaalsContact C-N 3.31Å
590R92.9Very high88.2Confident36 Ų3636.3 Ų36.314%0.13622%0.222CC..PPolyproline II helixtrans-72.3141.8174.7-65.5-179.9-70.4-162.70.7110.1R585 D586 A588 K630 G631 A633 R663R585-R590 VanDerWaalsContact CA-O 3.24Å; R585-R590 WeakPolarHBondContact CA-O 3.5Å; R585-R590 WeakPolarHBondContact CB-O 3.45Å; D586-R590 PolarHBondContact N-O 2.82Å; D586-R590 VanDerWaalsContact N-O 3.08Å; D586-R590 WeakPolarHBondContact OD1-CB 3.45Å; D586-R590 PolarHBondContact OD1-N 3Å; D586-R590 IonicContact OD1-NE 3.73Å; D586-R590 IonicContact OD2-CZ 2.67Å; D586-R590 IonicContact OD2-NE 3.57Å; D586-R590 PolarHBondContact OD2-NE 3Å; D586-R590 IonicContact OD2-NH2 3.69Å; D586-R590 PolarHBondContact OD2-NH2 3Å; A588-R590 VanDerWaalsContact C-N 3.31Å; A588-R590 HydrophobicContact CB-CG 4.39Å; R590-K630 WeakPolarHBondContact CD-O 3.46Å; R590-K630 HydrophobicContact CG-CB 4.02Å; R590-G631 WeakPolarHBondContact CB-O 3.48Å; R590-G631 WeakPolarHBondContact CG-O 3.43Å; R590-A633 HydrophobicContact CB-CB 4.19Å; R590-R663 PolarHBondContact NH1-O 3.45Å
591P93.4Very high87.7Confident15 Ų1536.7 Ų36.710%0.09723%0.225CC..BIsolated β-bridgetrans-61.3138.5171.7-18.531.3000111.2P623 D627 L632 A633P591-P623 HydrophobicContact CB-CG 4.3Å; P591-P623 HydrophobicContact CG-CB 3.99Å; P591-P623 HydrophobicContact CG-CG 4.07Å; P591-D627 HydrophobicContact CG-CB 4.05Å; P591-L632 HydrophobicContact CB-CD2 4.05Å; P591-L632 HydrophobicContact CB-CG 4.47Å; P591-A633 PolarHBondContact O-N 3.02Å
592L93.8Very high87.3Confident7 Ų736.9 Ų36.94%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-87.4128.2175.2-71.4167.8000111.6L581 G584 D586 A633 V698L581-L592 WeakPolarHBondContact CD2-O 3.44Å; G584-L592 WeakPolarHBondContact O-CB 3.11Å; G584-L592 PolarHBondContact O-N 3.11Å; D586-L592 HydrophobicContact CB-CD2 4.17Å; L592-A633 WeakPolarHBondContact CA-O 3.23Å; L592-A633 HydrophobicContact CD2-CB 4.04Å; L592-V698 HydrophobicContact CD1-CG1 3.57Å; L592-V698 HydrophobicContact CD1-CG2 4.12Å; L592-V698 HydrophobicContact CD2-CG2 3.86Å
593L94.1Very high87.1Confident1 Ų142 Ų421%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-105.6117.3165.7-178.473.8000108.5A579 C580 L581 V595 L616 L619 L632 A633 V634 L635A579-L593 HydrophobicContact CB-CD1 4.47Å; C580-L593 WeakPolarHBondContact O-CD1 3.29Å; L581-L593 HydrophobicContact CD2-CB 3.96Å; L581-L593 HydrophobicContact CD2-CD1 3.62Å; L581-L593 HydrophobicContact CD2-CG 4.43Å; L581-L593 HydrophobicContact CG-CD1 3.9Å; L593-V595 HydrophobicContact CD2-CG2 4.43Å; L593-V595 HydrophobicContact CG-CG2 4.41Å; L593-L616 HydrophobicContact CD2-CD2 3.7Å; L593-L619 HydrophobicContact CD1-CB 4.05Å; L593-L619 HydrophobicContact CD1-CD1 3.54Å; L593-L619 HydrophobicContact CD1-CG 4.41Å; L593-L632 HydrophobicContact CB-CD2 4.16Å; L593-A633 PolarHBondContact N-O 2.92Å; L593-V634 HydrophobicContact CB-CG2 4.25Å; L593-V634 HydrophobicContact CD2-CG1 4.24Å; L593-V634 HydrophobicContact CD2-CG2 3.91Å; L593-V634 CarbonylContact O-C 3.35Å; L593-V634 WeakPolarHBondContact O-CA 3.39Å; L593-L635 PolarHBondContact O-N 2.94Å
594L92.7Very high86.8Confident14 Ų1440.4 Ų40.47%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-92.8130.3176.3177.359.9000109.9A579 C580 L635 P704 L707A579-L594 CarbonylContact C-O 3.57Å; A579-L594 WeakPolarHBondContact CA-O 3.36Å; C580-L594 PolarHBondContact N-O 3.15Å; C580-L594 PolarHBondContact O-N 3.44Å; L594-L635 HydrophobicContact CD1-CB 4.43Å; L594-L635 HydrophobicContact CD1-CD2 4.37Å; L594-L635 HydrophobicContact CD1-CG 4.19Å; L594-P704 HydrophobicContact CD2-CG 4.02Å; L594-L707 HydrophobicContact CD1-CD1 3.8Å; L594-L707 HydrophobicContact CD2-CD1 4.24Å
595V92.8Very high86.5Confident0 Ų046.8 Ų46.80%027%0.27CS..EExtended strand (participates in β ladder)trans-121131178.6177.20000110.4I578 A579 L593 V634 L635 I636 D637 L647I578-V595 CarbonylContact O-C 3.36Å; I578-V595 VanDerWaalsContact O-CA 3.27Å; I578-V595 WeakPolarHBondContact O-CA 3.25Å; A579-V595 HydrophobicContact CB-CG2 4.09Å; L593-V595 HydrophobicContact CD2-CG2 4.43Å; L593-V595 HydrophobicContact CG-CG2 4.41Å; V595-V634 HydrophobicContact CG2-CG1 3.68Å; V595-L635 PolarHBondContact N-O 3.2Å; V595-I636 HydrophobicContact CB-CG1 4.19Å; V595-I636 HydrophobicContact CG1-CG1 4.5Å; V595-D637 PolarHBondContact O-N 3.19Å; V595-L647 HydrophobicContact CG1-CD1 3.81Å; V595-L647 HydrophobicContact CG1-CD2 3.69Å; V595-L647 HydrophobicContact CG1-CG 4.43Å
596S84.8Confident85.9Confident26 Ų2646.5 Ų46.518%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-102.3129.7-177.5-49.20000111.1R577 I578 T598 W602R577-S596 WeakPolarHBondContact O-CB 3.27Å; R577-S596 PolarHBondContact O-OG 3.31Å; I578-S596 PolarHBondContact O-N 2.98Å; S596-T598 VanDerWaalsContact C-N 3.3Å; S596-T598 PolarHBondContact O-N 3.11Å; S596-W602 PolarHBondContact O-NE1 2.99Å
597T84.1Confident85.5Confident3 Ų346.8 Ų46.82%0.01827%0.272CS..  trans-88.112.2176.7630000114.3E599 I636 D637 A638 Q641 P643T597-E599 PolarHBondContact O-N 2.81Å; T597-I636 HydrophobicContact CG2-CG2 3.75Å; T597-D637 PolarHBondContact OG1-O 3.01Å; T597-A638 HydrophobicContact CG2-CB 4.17Å; T597-Q641 WeakPolarHBondContact CB-O 3.46Å; T597-Q641 PolarHBondContact O-OE1 3.16Å; T597-Q641 PolarHBondContact OG1-O 2.92Å; T597-P643 HydrophobicContact CG2-CB 4.42Å
598T77.3Confident85.4Confident64 Ų6443.4 Ų43.439%0.39327%0.267SS..  trans-69.3112.2-170.249.70000114S596 G600 A601S596-T598 VanDerWaalsContact C-N 3.3Å; S596-T598 PolarHBondContact O-N 3.11Å; T598-G600 PolarHBondContact O-N 2.67Å; T598-G600 VanDerWaalsContact O-N 3.15Å; T598-A601 PolarHBondContact O-N 2.8Å
599E64.9Low85.5Confident106 Ų10642.9 Ų42.950%0.49526%0.257SS..Hα-helixtrans-30.2-60.1-176.8-137172164.800116T597 A601 W602 E603 Q641T597-E599 PolarHBondContact O-N 2.81Å; E599-A601 PolarHBondContact O-N 2.65Å; E599-W602 PolarHBondContact O-N 3.03Å; E599-E603 HydrophobicContact CG-CG 4.1Å; E599-E603 PolarHBondContact O-N 2.99Å; E599-Q641 PolarHBondContact OE2-NE2 2.85Å
600G76.9Confident85.5Confident73 Ų7345.1 Ų45.175%0.75327%0.268SS*.Hα-helixtrans-64.1-11.8-168.200000116T598T598-G600 PolarHBondContact O-N 2.67Å; T598-G600 VanDerWaalsContact O-N 3.15Å
601A80.1Confident85.3Confident11 Ų1144.9 Ų44.99%0.09127%0.269CS..Hα-helixtrans-89.7-31.4169.900000112.8I578 T598 E599 C607I578-A601 HydrophobicContact CD1-CB 4.13Å; I578-A601 HydrophobicContact CG1-CB 3.77Å; T598-A601 PolarHBondContact O-N 2.8Å; E599-A601 PolarHBondContact O-N 2.65Å; A601-C607 WeakPolarHBondContact O-CB 3.15Å
602W83.3Confident85.2Confident22 Ų2244.2 Ų44.28%0.08327%0.265CS..Hα-helixtrans-83.5-36-176.2-69.498.4000113.2I578 S596 E599 A604 V612 Q644 L647I578-W602 HydrophobicContact CG1-CZ2 4.45Å; I578-W602 HydrophobicContact CG2-CH2 3.72Å; I578-W602 HydrophobicContact CG2-CZ2 3.56Å; S596-W602 PolarHBondContact O-NE1 2.99Å; E599-W602 PolarHBondContact O-N 3.03Å; W602-A604 PolarHBondContact O-N 3.35Å; W602-V612 HydrophobicContact CH2-CG1 3.92Å; W602-V612 HydrophobicContact CH2-CG2 4.33Å; W602-V612 HydrophobicContact CZ3-CG1 4.12Å; W602-V612 HydrophobicContact CZ3-CG2 3.88Å; W602-Q644 HydrophobicContact CB-CG 3.94Å; W602-Q644 HydrophobicContact CD2-CB 4.22Å; W602-Q644 HydrophobicContact CD2-CG 4.16Å; W602-Q644 HydrophobicContact CE3-CB 4.24Å; W602-Q644 HydrophobicContact CG-CB 4.42Å; W602-Q644 HydrophobicContact CG-CG 3.85Å; W602-L647 HydrophobicContact CH2-CB 3.56Å; W602-L647 HydrophobicContact CH2-CD1 3.83Å; W602-L647 HydrophobicContact CH2-CG 4.14Å; W602-L647 HydrophobicContact CZ2-CB 4.11Å; W602-L647 HydrophobicContact CZ2-CD1 4.29Å; W602-L647 HydrophobicContact CZ2-CD2 4.37Å; W602-L647 HydrophobicContact CZ2-CG 4.47Å; W602-L647 HydrophobicContact CZ3-CB 4.04Å
603E82.8Confident85Confident125 Ų12544.2 Ų44.258%0.58427%0.265SS*.SBendtrans-75.5-0.1177.8-57.4-51.213000113.6E599 Q644E599-E603 HydrophobicContact CG-CG 4.1Å; E599-E603 PolarHBondContact O-N 2.99Å; E603-Q644 PolarHBondContact OE1-NE2 2.77Å
604A82.8Confident84.8Confident18 Ų1848.1 Ų48.115%0.14928%0.282CS..SBendtrans-77.1137.2-176.900000111.6W602 W606 C607W602-A604 PolarHBondContact O-N 3.35Å; A604-W606 HydrophobicContact CB-CD2 4.02Å; A604-W606 VanDerWaalsContact CB-CE2 3.42Å; A604-W606 HydrophobicContact CB-CG 4.46Å; A604-W606 HydrophobicContact CB-CH2 4.09Å; A604-W606 HydrophobicContact CB-CZ2 3.47Å; A604-W606 VanDerWaalsContact CB-CZ2 3.47Å; A604-W606 PolarHBondContact O-N 2.96Å; A604-C607 HydrophobicContact CB-CB 4.41Å; A604-C607 WeakPolarHBondContact O-CB 3.39Å; A604-C607 PolarHBondContact O-N 3.33Å
605P82.9Confident84.7Confident133 Ų13347.5 Ų47.586%0.86428%0.278SS*.THydrogen-bonded Turntrans-59.2-16.3-176.3-28.435.6000116.5
606W80.6Confident84.6Confident81 Ų8147.5 Ų47.531%0.30728%0.279SS..THydrogen-bonded Turntrans-91.6-11.4174.850.1-98.9000113.5K572 V573 I578 A604 T608K572-W606 HydrophobicContact CB-CD2 3.91Å; K572-W606 HydrophobicContact CB-CE3 4.28Å; K572-W606 HydrophobicContact CB-CG 4.31Å; K572-W606 HydrophobicContact CB-CZ2 4.34Å; K572-W606 HydrophobicContact CD-CG 4.33Å; V573-W606 HydrophobicContact CG2-CE3 3.95Å; V573-W606 HydrophobicContact CG2-CZ3 4.39Å; I578-W606 HydrophobicContact CD1-CZ3 4.2Å; A604-W606 HydrophobicContact CB-CD2 4.02Å; A604-W606 VanDerWaalsContact CB-CE2 3.42Å; A604-W606 HydrophobicContact CB-CG 4.46Å; A604-W606 HydrophobicContact CB-CH2 4.09Å; A604-W606 HydrophobicContact CB-CZ2 3.47Å; A604-W606 VanDerWaalsContact CB-CZ2 3.47Å; A604-W606 PolarHBondContact O-N 2.96Å; W606-T608 PolarHBondContact O-N 2.79Å
607C85.1Confident84.8Confident19 Ų1946.9 Ų46.913%0.12827%0.274CS..  trans-83.660.7-179.8-174.20000111.8I578 A601 A604I578-C607 HydrophobicContact CD1-CB 4.41Å; I578-C607 WeakPolarHBondContact CD1-SG 3.34Å; A601-C607 WeakPolarHBondContact O-CB 3.15Å; A604-C607 HydrophobicContact CB-CB 4.41Å; A604-C607 WeakPolarHBondContact O-CB 3.39Å; A604-C607 PolarHBondContact O-N 3.33Å
608T88.8Confident85Confident65 Ų6547.9 Ų47.940%0.39928%0.278SS..  trans-79.3156175.774.70000111.5W606 S610 E611 V612W606-T608 PolarHBondContact O-N 2.79Å; T608-S610 PolarHBondContact O-N 3.43Å; T608-S610 VanDerWaalsContact O-N 3.16Å; T608-S610 PolarHBondContact OG1-N 2.95Å; T608-E611 PolarHBondContact O-N 3.09Å; T608-E611 VanDerWaalsContact O-N 3.08Å; T608-E611 PolarHBondContact OG1-N 3.04Å; T608-V612 WeakPolarHBondContact O-CG2 3.47Å; T608-V612 PolarHBondContact O-N 3.21Å
609V91.1Very high85.6Confident59 Ų5944.9 Ų44.936%0.35826%0.259SS..Hα-helixtrans-53.9-34.5172.5-177.30000111.5T613 A650V609-T613 VanDerWaalsContact O-CB 3.31Å; V609-T613 WeakPolarHBondContact O-CB 3.24Å; V609-T613 PolarHBondContact O-N 3.26Å; V609-T613 PolarHBondContact O-OG1 3.11Å; V609-A650 HydrophobicContact CG1-CB 4.11Å
610S89.6Confident86.7Confident69 Ų6940.3 Ų40.348%0.48324%0.239SC..Hα-helixtrans-65.5-48.4176.1-171.50000112T608 V612 T613 K614T608-S610 PolarHBondContact O-N 3.43Å; T608-S610 VanDerWaalsContact O-N 3.16Å; T608-S610 PolarHBondContact OG1-N 2.95Å; S610-V612 PolarHBondContact O-N 3.49Å; S610-T613 WeakPolarHBondContact O-CB 3.3Å; S610-T613 PolarHBondContact O-N 3.07Å; S610-K614 VanDerWaalsContact O-CG 3.32Å; S610-K614 WeakPolarHBondContact O-CG 3.47Å; S610-K614 PolarHBondContact O-N 3.33Å
611E89.1Confident87.2Confident32 Ų3239.8 Ų39.815%0.1522%0.221CC..Hα-helixtrans-64.4-40.2177.5-68.7-50.8114.800112.4V573 T608 T613 K614 L615V573-E611 HydrophobicContact CG2-CB 3.99Å; V573-E611 HydrophobicContact CG2-CG 4.35Å; T608-E611 PolarHBondContact O-N 3.09Å; T608-E611 VanDerWaalsContact O-N 3.08Å; T608-E611 PolarHBondContact OG1-N 3.04Å; E611-T613 VanDerWaalsContact C-N 3.35Å; E611-K614 PolarHBondContact O-N 2.7Å; E611-K614 WeakPolarHBondContact OE1-CE 3.47Å; E611-K614 IonicContact OE1-NZ 3.31Å; E611-K614 PolarHBondContact OE1-NZ 3.2Å; E611-L615 WeakPolarHBondContact O-CB 3.46Å; E611-L615 PolarHBondContact O-N 3.01Å
612V90.6Very high87.5Confident1 Ų141.6 Ų41.61%0.00623%0.229CC..Hα-helixtrans-66.7-37.5175.11800000111.1I578 W602 T608 S610 L615 L616 A650I578-V612 HydrophobicContact CG2-CG1 4.31Å; I578-V612 HydrophobicContact CG2-CG2 4.47Å; W602-V612 HydrophobicContact CH2-CG1 3.92Å; W602-V612 HydrophobicContact CH2-CG2 4.33Å; W602-V612 HydrophobicContact CZ3-CG1 4.12Å; W602-V612 HydrophobicContact CZ3-CG2 3.88Å; T608-V612 WeakPolarHBondContact O-CG2 3.47Å; T608-V612 PolarHBondContact O-N 3.21Å; S610-V612 PolarHBondContact O-N 3.49Å; V612-L615 PolarHBondContact O-N 2.88Å; V612-L616 HydrophobicContact CG1-CD1 4.01Å; V612-L616 HydrophobicContact CG1-CG 4.34Å; V612-L616 WeakPolarHBondContact O-CB 3.25Å; V612-L616 VanDerWaalsContact O-CG 3.24Å; V612-L616 WeakPolarHBondContact O-CG 3.46Å; V612-L616 PolarHBondContact O-N 2.89Å; V612-A650 HydrophobicContact CB-CB 3.94Å; V612-A650 HydrophobicContact CG1-CB 3.63Å
613T91.5Very high87.6Confident6 Ų641.4 Ų41.44%0.03723%0.23CC..Hα-helixtrans-62.7-49173.2-57.40000111.1V609 S610 E611 L615 L616 S617 A650 A653V609-T613 VanDerWaalsContact O-CB 3.31Å; V609-T613 WeakPolarHBondContact O-CB 3.24Å; V609-T613 PolarHBondContact O-N 3.26Å; V609-T613 PolarHBondContact O-OG1 3.11Å; S610-T613 WeakPolarHBondContact O-CB 3.3Å; S610-T613 PolarHBondContact O-N 3.07Å; E611-T613 VanDerWaalsContact C-N 3.35Å; T613-L615 VanDerWaalsContact C-N 3.3Å; T613-L615 PolarHBondContact O-N 3.23Å; T613-L616 PolarHBondContact O-N 3.37Å; T613-S617 WeakPolarHBondContact O-CB 3.29Å; T613-S617 PolarHBondContact O-N 3.38Å; T613-S617 PolarHBondContact O-OG 3.43Å; T613-A650 WeakPolarHBondContact OG1-CA 3.36Å; T613-A653 HydrophobicContact CG2-CB 3.65Å
614K89.3Confident87.7Confident83 Ų8343 Ų4336%0.36123%0.231SC..Hα-helixtrans-58.8-41.3176.9-67.6170-174.11760111.6L569 S610 E611 Y618L569-K614 HydrophobicContact CD1-CB 3.34Å; L569-K614 HydrophobicContact CD1-CD 4.11Å; L569-K614 HydrophobicContact CD1-CG 4.41Å; S610-K614 VanDerWaalsContact O-CG 3.32Å; S610-K614 WeakPolarHBondContact O-CG 3.47Å; S610-K614 PolarHBondContact O-N 3.33Å; E611-K614 PolarHBondContact O-N 2.7Å; E611-K614 WeakPolarHBondContact OE1-CE 3.47Å; E611-K614 IonicContact OE1-NZ 3.31Å; E611-K614 PolarHBondContact OE1-NZ 3.2Å; K614-Y618 VanDerWaalsContact O-CB 3.28Å; K614-Y618 WeakPolarHBondContact O-CB 3.32Å; K614-Y618 PolarHBondContact O-N 3.02Å
615L89.5Confident87.5Confident1 Ų146.8 Ų46.81%0.00525%0.254CS..Hα-helixtrans-59.4-55173.7177.467.2000110.7L569 V573 F574 I578 A579 E611 V612 T613 S617 Y618 L619L569-L615 HydrophobicContact CD2-CB 4.09Å; L569-L615 HydrophobicContact CD2-CD1 3.84Å; V573-L615 HydrophobicContact CG1-CB 3.99Å; V573-L615 HydrophobicContact CG1-CD1 4.48Å; V573-L615 HydrophobicContact CG1-CD2 3.97Å; V573-L615 HydrophobicContact CG1-CG 4.36Å; F574-L615 HydrophobicContact CD1-CD1 3.78Å; F574-L615 HydrophobicContact CE1-CD1 3.67Å; F574-L615 HydrophobicContact CZ-CD1 4.44Å; I578-L615 HydrophobicContact CG2-CD2 4.42Å; A579-L615 HydrophobicContact CB-CD2 3.89Å; E611-L615 WeakPolarHBondContact O-CB 3.46Å; E611-L615 PolarHBondContact O-N 3.01Å; V612-L615 PolarHBondContact O-N 2.88Å; T613-L615 VanDerWaalsContact C-N 3.3Å; T613-L615 PolarHBondContact O-N 3.23Å; L615-S617 PolarHBondContact O-N 3.1Å; L615-Y618 PolarHBondContact O-N 3.48Å; L615-L619 HydrophobicContact CD1-CD1 4.08Å; L615-L619 HydrophobicContact CD1-CG 4.16Å; L615-L619 HydrophobicContact CG-CD1 4.09Å; L615-L619 HydrophobicContact CG-CG 4.41Å; L615-L619 VanDerWaalsContact O-CG 3.29Å; L615-L619 WeakPolarHBondContact O-CG 3.1Å; L615-L619 PolarHBondContact O-N 3.5Å
616L91.3Very high87.4Confident1 Ų145.8 Ų45.81%0.00524%0.238CC..Hα-helixtrans-60.9-44.9-177.9-69.7172.1000111.9A579 L593 V612 T613 L619 C620 A650 L651 T654A579-L616 HydrophobicContact CB-CD2 3.89Å; L593-L616 HydrophobicContact CD2-CD2 3.7Å; V612-L616 HydrophobicContact CG1-CD1 4.01Å; V612-L616 HydrophobicContact CG1-CG 4.34Å; V612-L616 WeakPolarHBondContact O-CB 3.25Å; V612-L616 VanDerWaalsContact O-CG 3.24Å; V612-L616 WeakPolarHBondContact O-CG 3.46Å; V612-L616 PolarHBondContact O-N 2.89Å; T613-L616 PolarHBondContact O-N 3.37Å; L616-L619 PolarHBondContact O-N 3.39Å; L616-C620 PolarHBondContact O-N 3.21Å; L616-C620 PolarHBondContact O-SG 2.98Å; L616-A650 HydrophobicContact CD1-CB 4.04Å; L616-L651 HydrophobicContact CD1-CD2 4.08Å; L616-L651 HydrophobicContact CD1-CG 4.35Å; L616-T654 HydrophobicContact CB-CG2 3.88Å; L616-T654 VanDerWaalsContact CB-OG1 3.24Å; L616-T654 WeakPolarHBondContact CB-OG1 3.38Å
617S89.7Confident87.4Confident13 Ų1342.6 Ų42.69%0.09123%0.227CC..Hα-helixtrans-59.5-45.2173.7-70.30000111.9T613 L615 C620 T621 Q657T613-S617 WeakPolarHBondContact O-CB 3.29Å; T613-S617 PolarHBondContact O-N 3.38Å; T613-S617 PolarHBondContact O-OG 3.43Å; L615-S617 PolarHBondContact O-N 3.1Å; S617-C620 WeakPolarHBondContact O-CB 3.3Å; S617-C620 PolarHBondContact O-N 3.02Å; S617-T621 WeakPolarHBondContact O-CG2 3.32Å; S617-T621 PolarHBondContact O-N 3.22Å; S617-Q657 PolarHBondContact OG-OE1 3.4Å
618Y88.6Confident87.2Confident24 Ų2446.2 Ų46.29%0.09424%0.24CC..Hα-helixtrans-60.7-45174.1170.5-105.2000111.9I566 F574 K614 L615 C620 T621 I622 T726I566-Y618 HydrophobicContact CD1-CD2 4.21Å; I566-Y618 HydrophobicContact CG1-CD2 4.5Å; I566-Y618 HydrophobicContact CG2-CD2 3.59Å; I566-Y618 HydrophobicContact CG2-CE2 3.97Å; I566-Y618 HydrophobicContact CG2-CG 4.34Å; F574-Y618 AromaticContact CE1-CD1 3.71Å; F574-Y618 HydrophobicContact CE1-CD1 3.71Å; F574-Y618 AromaticContact CE1-CE1 3.6Å; F574-Y618 HydrophobicContact CE1-CE1 3.6Å; F574-Y618 AromaticContact CZ-CD1 3.54Å; F574-Y618 HydrophobicContact CZ-CD1 3.54Å; F574-Y618 AromaticContact CZ-CE1 3.44Å; F574-Y618 HydrophobicContact CZ-CE1 3.44Å; F574-Y618 VanDerWaalsContact CZ-CE1 3.44Å; F574-Y618 HydrophobicContact CZ-CG 4.45Å; K614-Y618 VanDerWaalsContact O-CB 3.28Å; K614-Y618 WeakPolarHBondContact O-CB 3.32Å; K614-Y618 PolarHBondContact O-N 3.02Å; L615-Y618 PolarHBondContact O-N 3.48Å; Y618-C620 PolarHBondContact O-N 2.92Å; Y618-T621 WeakPolarHBondContact O-CA 3.48Å; Y618-T621 WeakPolarHBondContact O-CB 3.16Å; Y618-T621 PolarHBondContact O-N 2.93Å; Y618-T621 PolarHBondContact O-OG1 3.46Å; Y618-I622 HydrophobicContact CD1-CD1 4.26Å; Y618-I622 HydrophobicContact CE1-CD1 3.69Å; Y618-I622 HydrophobicContact CE1-CG1 4.3Å; Y618-T726 HydrophobicContact CE2-CG2 3.81Å
619L89.1Confident86.9Confident0 Ų047.6 Ų47.60%026%0.258CS..Hα-helixtrans-63.1-31.2177.4-64-176.8000111.8A579 L581 L593 L615 L616 T621 I622 P623 W718A579-L619 HydrophobicContact CB-CD1 3.97Å; L581-L619 HydrophobicContact CD1-CB 4.25Å; L581-L619 HydrophobicContact CD1-CD2 4.35Å; L581-L619 WeakPolarHBondContact CD1-O 3.25Å; L581-L619 HydrophobicContact CG-CB 4.4Å; L581-L619 HydrophobicContact CG-CD2 4.49Å; L593-L619 HydrophobicContact CD1-CB 4.05Å; L593-L619 HydrophobicContact CD1-CD1 3.54Å; L593-L619 HydrophobicContact CD1-CG 4.41Å; L615-L619 HydrophobicContact CD1-CD1 4.08Å; L615-L619 HydrophobicContact CD1-CG 4.16Å; L615-L619 HydrophobicContact CG-CD1 4.09Å; L615-L619 HydrophobicContact CG-CG 4.41Å; L615-L619 VanDerWaalsContact O-CG 3.29Å; L615-L619 WeakPolarHBondContact O-CG 3.1Å; L615-L619 PolarHBondContact O-N 3.5Å; L616-L619 PolarHBondContact O-N 3.39Å; L619-T621 PolarHBondContact O-N 3.31Å; L619-I622 HydrophobicContact CD2-CD1 3.48Å; L619-I622 VanDerWaalsContact CD2-CD1 3.48Å; L619-I622 PolarHBondContact O-N 2.95Å; L619-P623 VanDerWaalsContact O-CD 3.31Å; L619-P623 WeakPolarHBondContact O-CD 3.01Å; L619-W718 HydrophobicContact CD1-CH2 4.35Å; L619-W718 HydrophobicContact CD1-CZ2 4.44Å; L619-W718 HydrophobicContact CD2-CH2 3.83Å; L619-W718 HydrophobicContact CD2-CZ2 3.65Å
620C88.4Confident86.7Confident10 Ų1049.1 Ų49.17%0.06826%0.26CS..Hα-helixtrans-65.7-19170.6-63.40000113.6L616 S617 Y618 K628 L632L616-C620 PolarHBondContact O-N 3.21Å; L616-C620 PolarHBondContact O-SG 2.98Å; S617-C620 WeakPolarHBondContact O-CB 3.3Å; S617-C620 PolarHBondContact O-N 3.02Å; Y618-C620 PolarHBondContact O-N 2.92Å; C620-K628 WeakPolarHBondContact O-CE 3.22Å; C620-L632 HydrophobicContact CB-CD1 4.16Å
621T86.3Confident86.7Confident62 Ų6246 Ų4638%0.3824%0.239SC..Hα-helixtrans-83.3-18.5175.975.50000114.6S617 Y618 L619 K628S617-T621 WeakPolarHBondContact O-CG2 3.32Å; S617-T621 PolarHBondContact O-N 3.22Å; Y618-T621 WeakPolarHBondContact O-CA 3.48Å; Y618-T621 WeakPolarHBondContact O-CB 3.16Å; Y618-T621 PolarHBondContact O-N 2.93Å; Y618-T621 PolarHBondContact O-OG1 3.46Å; L619-T621 PolarHBondContact O-N 3.31Å; T621-K628 VanDerWaalsContact C-CE 3.49Å; T621-K628 WeakPolarHBondContact O-CE 3.43Å; T621-K628 PolarHBondContact O-NZ 2.84Å
622I86.8Confident86.8Confident50 Ų5044.8 Ų44.826%0.25623%0.233SC..SBendtrans-72.5-40.9-173.2-69.9167.6000114.7L581 Y618 L619 F722L581-I622 HydrophobicContact CD1-CB 3.73Å; L581-I622 HydrophobicContact CD1-CD1 3.93Å; L581-I622 HydrophobicContact CD1-CG1 4.43Å; L581-I622 HydrophobicContact CD1-CG2 3.77Å; Y618-I622 HydrophobicContact CD1-CD1 4.26Å; Y618-I622 HydrophobicContact CE1-CD1 3.69Å; Y618-I622 HydrophobicContact CE1-CG1 4.3Å; L619-I622 HydrophobicContact CD2-CD1 3.48Å; L619-I622 VanDerWaalsContact CD2-CD1 3.48Å; L619-I622 PolarHBondContact O-N 2.95Å; I622-F722 HydrophobicContact CB-CE1 4.36Å; I622-F722 HydrophobicContact CD1-CD1 3.64Å; I622-F722 HydrophobicContact CD1-CE1 3.47Å; I622-F722 VanDerWaalsContact CD1-CE1 3.47Å; I622-F722 HydrophobicContact CD1-CE2 4.37Å; I622-F722 HydrophobicContact CD1-CG 4.19Å; I622-F722 HydrophobicContact CD1-CZ 3.87Å; I622-F722 HydrophobicContact CG1-CD1 4.18Å; I622-F722 HydrophobicContact CG1-CE1 3.78Å; I622-F722 HydrophobicContact CG1-CZ 4.42Å; I622-F722 HydrophobicContact CG2-CE1 3.64Å; I622-F722 HydrophobicContact CG2-CZ 3.66Å
623P86.8Confident87Confident17 Ų1744.7 Ų44.711%0.1123%0.233CC..SBendtrans-58.2152.1-179.6-27.435.7000112.9P591 L619 D627 K628 L632P591-P623 HydrophobicContact CB-CG 4.3Å; P591-P623 HydrophobicContact CG-CB 3.99Å; P591-P623 HydrophobicContact CG-CG 4.07Å; L619-P623 VanDerWaalsContact O-CD 3.31Å; L619-P623 WeakPolarHBondContact O-CD 3.01Å; P623-D627 HydrophobicContact CB-CB 4.24Å; P623-K628 HydrophobicContact CB-CG 4.23Å; P623-K628 WeakPolarHBondContact O-CE 3.18Å; P623-L632 HydrophobicContact CG-CD1 4.42Å; P623-L632 HydrophobicContact CG-CD2 4.21Å; P623-L632 HydrophobicContact CG-CG 4.48Å
624R83.2Confident87.2Confident158 Ų15844.4 Ų44.460%0.59623%0.231SC*.  trans-61.1151.6176.7-62.7-170.9179.8-178.40.3111.3E626 D627 K628R624-E626 WeakPolarHBondContact CB-OE1 3.18Å; R624-E626 VanDerWaalsContact CD-OE2 3.26Å; R624-E626 WeakPolarHBondContact CD-OE2 3.09Å; R624-E626 PolarHBondContact O-N 3.49Å; R624-E626 VanDerWaalsContact O-N 3.14Å; R624-D627 CarbonylContact O-C 3.58Å; R624-D627 WeakPolarHBondContact O-CA 3.47Å; R624-D627 PolarHBondContact O-N 2.88Å; R624-K628 PolarHBondContact O-N 2.79Å
625P80.2Confident87.4Confident98 Ų9840.7 Ų40.764%0.63622%0.215SC*.Hα-helixtrans-49.3-39.1175.7-29.336.2000114.2D627 K628P625-D627 PolarHBondContact O-N 3.28Å; P625-K628 PolarHBondContact O-N 2.95Å
626E80.3Confident87.6Confident113 Ų11340.6 Ų40.653%0.52822%0.215SC..Hα-helixtrans-61.1-25.1176.1-42.486.1-91.800113.9R624 K630R624-E626 WeakPolarHBondContact CB-OE1 3.18Å; R624-E626 VanDerWaalsContact CD-OE2 3.26Å; R624-E626 WeakPolarHBondContact CD-OE2 3.09Å; R624-E626 PolarHBondContact O-N 3.49Å; R624-E626 VanDerWaalsContact O-N 3.14Å; E626-K630 WeakPolarHBondContact O-CE 3.48Å
627D80.9Confident87.5Confident13 Ų1341.5 Ų41.57%0.0722%0.22CC..Hα-helixtrans-101.6-32.2-178.1-72-45.8000112.7R585 P591 P623 R624 P625 A629 K630R585-D627 IonicContact CZ-OD1 3.39Å; R585-D627 IonicContact CZ-OD2 3.2Å; R585-D627 IonicContact NH1-OD1 2.95Å; R585-D627 PolarHBondContact NH1-OD1 3.21Å; R585-D627 IonicContact NH1-OD2 2.7Å; R585-D627 PolarHBondContact NH1-OD2 3.33Å; R585-D627 IonicContact NH2-OD1 2.68Å; R585-D627 IonicContact NH2-OD2 3.1Å; R585-D627 PolarHBondContact NH2-OD2 2.73Å; P591-D627 HydrophobicContact CG-CB 4.05Å; P623-D627 HydrophobicContact CB-CB 4.24Å; R624-D627 CarbonylContact O-C 3.58Å; R624-D627 WeakPolarHBondContact O-CA 3.47Å; R624-D627 PolarHBondContact O-N 2.88Å; P625-D627 PolarHBondContact O-N 3.28Å; D627-A629 PolarHBondContact O-N 2.88Å; D627-K630 WeakPolarHBondContact O-CB 3.46Å; D627-K630 PolarHBondContact O-N 2.96Å; D627-K630 IonicContact OD1-NZ 3.84Å; D627-K630 PolarHBondContact OD1-NZ 3.3Å
628K80.5Confident87.4Confident95 Ų9541.4 Ų41.441%0.41322%0.219SC..Hα-helixtrans-52.6-39.5171.9-76.5179.2171.1168.40111.8C620 T621 P623 R624 P625 K630 G631C620-K628 WeakPolarHBondContact O-CE 3.22Å; T621-K628 VanDerWaalsContact C-CE 3.49Å; T621-K628 WeakPolarHBondContact O-CE 3.43Å; T621-K628 PolarHBondContact O-NZ 2.84Å; P623-K628 HydrophobicContact CB-CG 4.23Å; P623-K628 WeakPolarHBondContact O-CE 3.18Å; R624-K628 PolarHBondContact O-N 2.79Å; P625-K628 PolarHBondContact O-N 2.95Å; K628-K630 PolarHBondContact O-N 2.79Å; K628-G631 PolarHBondContact O-N 3.01Å
629A82.8Confident87.2Confident94 Ų9445 Ų4578%0.77723%0.233SC*.THydrogen-bonded Turntrans-61.7-12.3177.400000115.1D627D627-A629 PolarHBondContact O-N 2.88Å
630K85.9Confident86.8Confident91 Ų9155 Ų5540%0.39627%0.271SS..THydrogen-bonded Turntrans-96.6-13.6177.4-53.6169-171.6162.50112.7R590 E626 D627 K628R590-K630 WeakPolarHBondContact CD-O 3.46Å; R590-K630 HydrophobicContact CG-CB 4.02Å; E626-K630 WeakPolarHBondContact O-CE 3.48Å; D627-K630 WeakPolarHBondContact O-CB 3.46Å; D627-K630 PolarHBondContact O-N 2.96Å; D627-K630 IonicContact OD1-NZ 3.84Å; D627-K630 PolarHBondContact OD1-NZ 3.3Å; K628-K630 PolarHBondContact O-N 2.79Å
631G89Confident86.6Confident4 Ų457.3 Ų57.34%0.04128%0.28CS..  trans66.7169-164.700000113.2R590 K628 S661R590-G631 WeakPolarHBondContact CB-O 3.48Å; R590-G631 WeakPolarHBondContact CG-O 3.43Å; K628-G631 PolarHBondContact O-N 3.01Å; G631-S661 CarbonylContact C-O 3.6Å; G631-S661 WeakPolarHBondContact CA-O 3.45Å
632L92.6Very high86.4Confident6 Ų658.2 Ų58.23%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-89.1155.4173.9-72.3113.6000112.1L581 P591 L593 C620 P623 S661 R663 A664L581-L632 HydrophobicContact CD2-CD2 3.57Å; P591-L632 HydrophobicContact CB-CD2 4.05Å; P591-L632 HydrophobicContact CB-CG 4.47Å; L593-L632 HydrophobicContact CB-CD2 4.16Å; C620-L632 HydrophobicContact CB-CD1 4.16Å; P623-L632 HydrophobicContact CG-CD1 4.42Å; P623-L632 HydrophobicContact CG-CD2 4.21Å; P623-L632 HydrophobicContact CG-CG 4.48Å; L632-S661 PolarHBondContact N-O 3.37Å; L632-R663 PolarHBondContact O-N 3.19Å; L632-A664 PolarHBondContact O-N 3.4Å
633A94.4Very high86.3Confident0 Ų056.1 Ų56.10%028%0.277CS..EExtended strand (participates in β ladder)trans-107116.8164.500000108.4D586 R590 P591 L592 L593D586-A633 HydrophobicContact CB-CB 4.2Å; R590-A633 HydrophobicContact CB-CB 4.19Å; P591-A633 PolarHBondContact O-N 3.02Å; L592-A633 WeakPolarHBondContact CA-O 3.23Å; L592-A633 HydrophobicContact CD2-CB 4.04Å; L593-A633 PolarHBondContact N-O 2.92Å
634V95.1Very high86.2Confident0 Ų057.9 Ų57.90%028%0.284CS..EExtended strand (participates in β ladder)trans-95.6120.7-177.3-176.90000109.1L593 V595 I636 I662 A664 I665 L666L593-V634 HydrophobicContact CB-CG2 4.25Å; L593-V634 HydrophobicContact CD2-CG1 4.24Å; L593-V634 HydrophobicContact CD2-CG2 3.91Å; L593-V634 CarbonylContact O-C 3.35Å; L593-V634 WeakPolarHBondContact O-CA 3.39Å; V595-V634 HydrophobicContact CG2-CG1 3.68Å; V634-I636 HydrophobicContact CG1-CG1 4.23Å; V634-I662 HydrophobicContact CG2-CB 4.43Å; V634-I662 HydrophobicContact CG2-CD1 4.15Å; V634-I662 HydrophobicContact CG2-CG1 3.96Å; V634-I662 HydrophobicContact CG2-CG2 3.71Å; V634-A664 PolarHBondContact N-O 2.79Å; V634-I665 HydrophobicContact CB-CG1 4.11Å; V634-I665 CarbonylContact O-C 3.53Å; V634-I665 VanDerWaalsContact O-CA 3.29Å; V634-I665 WeakPolarHBondContact O-CA 3.36Å; V634-L666 PolarHBondContact O-N 3.01Å
635L94.2Very high86.2Confident4 Ų454 Ų542%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-103.1116.8177.4177.557.2000109.3L593 L594 V595 L666 L668 L694 L703 L707L593-L635 PolarHBondContact O-N 2.94Å; L594-L635 HydrophobicContact CD1-CB 4.43Å; L594-L635 HydrophobicContact CD1-CD2 4.37Å; L594-L635 HydrophobicContact CD1-CG 4.19Å; V595-L635 PolarHBondContact N-O 3.2Å; L635-L666 WeakPolarHBondContact CA-O 3.47Å; L635-L666 HydrophobicContact CD1-CB 3.77Å; L635-L666 WeakPolarHBondContact CD1-O 3.23Å; L635-L668 HydrophobicContact CD1-CB 4.48Å; L635-L694 HydrophobicContact CD1-CD1 3.81Å; L635-L694 HydrophobicContact CD1-CD2 4.29Å; L635-L694 HydrophobicContact CD2-CD1 4.21Å; L635-L694 HydrophobicContact CD2-CD2 3.96Å; L635-L703 HydrophobicContact CD2-CD2 4Å; L635-L707 HydrophobicContact CD2-CD1 3.52Å; L635-L707 HydrophobicContact CG-CD1 4.43Å
636I93.4Very high86.5Confident0 Ų050.3 Ų50.30%026%0.259CS..EExtended strand (participates in β ladder)trans-104.9112.8178.6-57.6172.3000107.8V595 T597 V634 A638 L647 L651 I665 L666 F667 L668 L677V595-I636 HydrophobicContact CB-CG1 4.19Å; V595-I636 HydrophobicContact CG1-CG1 4.5Å; T597-I636 HydrophobicContact CG2-CG2 3.75Å; V634-I636 HydrophobicContact CG1-CG1 4.23Å; I636-A638 PolarHBondContact O-N 3.22Å; I636-L647 HydrophobicContact CD1-CD2 4.16Å; I636-L647 HydrophobicContact CG2-CD2 4.36Å; I636-L651 HydrophobicContact CD1-CD1 4.33Å; I636-I665 HydrophobicContact CD1-CG2 3.73Å; I636-I665 HydrophobicContact CG1-CG2 4.34Å; I636-L666 PolarHBondContact N-O 3.26Å; I636-F667 HydrophobicContact CB-CD2 4.07Å; I636-F667 HydrophobicContact CG2-CD2 4.01Å; I636-F667 HydrophobicContact CG2-CE2 4.09Å; I636-L668 PolarHBondContact O-N 2.77Å; I636-L677 HydrophobicContact CD1-CD1 3.7Å; I636-L677 HydrophobicContact CD1-CD2 3.93Å
637D89.4Confident87Confident20 Ų2045 Ų4511%0.10723%0.234CC..EExtended strand (participates in β ladder)trans-88.394.3175.1-172.94.5000110.5V595 T597 R639 L707V595-D637 PolarHBondContact O-N 3.19Å; T597-D637 PolarHBondContact OG1-O 3.01Å; D637-R639 WeakPolarHBondContact OD1-CB 3.48Å; D637-R639 VanDerWaalsContact OD1-CG 3.24Å; D637-R639 WeakPolarHBondContact OD1-CG 3.35Å; D637-R639 IonicContact OD1-CZ 2.77Å; D637-R639 PolarHBondContact OD1-N 3.47Å; D637-R639 IonicContact OD1-NE 2.73Å; D637-R639 PolarHBondContact OD1-NE 3.36Å; D637-R639 IonicContact OD1-NH2 3.62Å; D637-R639 IonicContact OD2-CZ 3.16Å; D637-R639 IonicContact OD2-NE 2.69Å; D637-R639 PolarHBondContact OD2-NE 2.69Å; D637-R639 IonicContact OD2-NH2 3.63Å; D637-R639 PolarHBondContact OD2-NH2 3.24Å; D637-L707 HydrophobicContact CB-CD2 4.34Å
638A88.4Confident87.4Confident10 Ų1044.9 Ų44.98%0.08323%0.234CC..  trans-102.214.1-179.600000113.1T597 I636 R640 Q641 F667 L668T597-A638 HydrophobicContact CG2-CB 4.17Å; I636-A638 PolarHBondContact O-N 3.22Å; A638-R640 PolarHBondContact O-N 3.37Å; A638-R640 VanDerWaalsContact O-N 3.09Å; A638-Q641 CarbonylContact C-O 3.05Å; A638-Q641 VanDerWaalsContact CA-O 3.26Å; A638-Q641 WeakPolarHBondContact CA-O 3.41Å; A638-Q641 WeakPolarHBondContact CB-O 3.45Å; A638-Q641 PolarHBondContact O-N 2.92Å; A638-F667 HydrophobicContact CB-CD2 4.39Å; A638-F667 HydrophobicContact CB-CE1 4.01Å; A638-F667 HydrophobicContact CB-CE2 3.47Å; A638-F667 VanDerWaalsContact CB-CE2 3.47Å; A638-F667 HydrophobicContact CB-CZ 3.25Å; A638-L668 CarbonylContact C-O 3.57Å; A638-L668 WeakPolarHBondContact CA-O 3.38Å; A638-L668 PolarHBondContact N-O 3.12Å
639R84.2Confident87.9Confident100 Ų10042.9 Ų42.938%0.37723%0.232SC..SBendtrans-60.2-20.5-180-67.2179.5-67.5164.5-1.3114.2D637 L668 V706D637-R639 WeakPolarHBondContact OD1-CB 3.48Å; D637-R639 VanDerWaalsContact OD1-CG 3.24Å; D637-R639 WeakPolarHBondContact OD1-CG 3.35Å; D637-R639 IonicContact OD1-CZ 2.77Å; D637-R639 PolarHBondContact OD1-N 3.47Å; D637-R639 IonicContact OD1-NE 2.73Å; D637-R639 PolarHBondContact OD1-NE 3.36Å; D637-R639 IonicContact OD1-NH2 3.62Å; D637-R639 IonicContact OD2-CZ 3.16Å; D637-R639 IonicContact OD2-NE 2.69Å; D637-R639 PolarHBondContact OD2-NE 2.69Å; D637-R639 IonicContact OD2-NH2 3.63Å; D637-R639 PolarHBondContact OD2-NH2 3.24Å; R639-L668 HydrophobicContact CG-CD2 3.97Å; R639-L668 HydrophobicContact CG-CG 3.81Å; R639-L668 PolarHBondContact N-O 2.94Å; R639-V706 PolarHBondContact NH2-O 3.28Å
640R80.9Confident88.3Confident210 Ų21038.4 Ų38.479%0.79220%0.195SC*.SBendtrans-104-41.3-178.6-61.5-175.2-179.3-146.6-1.3112.5A638A638-R640 PolarHBondContact O-N 3.37Å; A638-R640 VanDerWaalsContact O-N 3.09Å
641Q83Confident88.6Confident58 Ų5834.1 Ų34.127%0.27118%0.176SC..SBendtrans-149.9145.8-174.3-71.3-178.1-38.300110T597 E599 A638T597-Q641 WeakPolarHBondContact CB-O 3.46Å; T597-Q641 PolarHBondContact O-OE1 3.16Å; T597-Q641 PolarHBondContact OG1-O 2.92Å; E599-Q641 PolarHBondContact OE2-NE2 2.85Å; A638-Q641 CarbonylContact C-O 3.05Å; A638-Q641 VanDerWaalsContact CA-O 3.26Å; A638-Q641 WeakPolarHBondContact CA-O 3.41Å; A638-Q641 WeakPolarHBondContact CB-O 3.45Å; A638-Q641 PolarHBondContact O-N 2.92Å
642P82.6Confident88.7Confident82 Ų8237.6 Ų37.653%0.53219%0.192SC..PPolyproline II helixtrans-63.4161177.528.6-36000112.2Q644 A673P642-Q644 PolarHBondContact O-N 2.92Å; P642-A673 HydrophobicContact CB-CB 4.16Å
643P84.8Confident88.6Confident6 Ų639 Ų394%0.03920%0.204CC..PPolyproline II helixtrans-67.4132.2174.930.7-34.2000110T597 L647 F667T597-P643 HydrophobicContact CG2-CB 4.42Å; P643-L647 HydrophobicContact CB-CD2 4.15Å; P643-F667 HydrophobicContact CB-CE2 4.31Å; P643-F667 HydrophobicContact CG-CE2 3.73Å; P643-F667 HydrophobicContact CG-CZ 4.25Å
644Q83.9Confident88.5Confident53 Ų5339 Ų3925%0.24820%0.204CC..PPolyproline II helixtrans-68.1142.7177.4-68.2-70.612.700110.9W602 E603 P642 G646 L647W602-Q644 HydrophobicContact CB-CG 3.94Å; W602-Q644 HydrophobicContact CD2-CB 4.22Å; W602-Q644 HydrophobicContact CD2-CG 4.16Å; W602-Q644 HydrophobicContact CE3-CB 4.24Å; W602-Q644 HydrophobicContact CG-CB 4.42Å; W602-Q644 HydrophobicContact CG-CG 3.85Å; E603-Q644 PolarHBondContact OE1-NE2 2.77Å; P642-Q644 PolarHBondContact O-N 2.92Å; Q644-G646 PolarHBondContact O-N 2.88Å; Q644-G646 VanDerWaalsContact O-N 3.11Å; Q644-L647 VanDerWaalsContact O-CB 3.28Å; Q644-L647 WeakPolarHBondContact O-CB 3.32Å; Q644-L647 PolarHBondContact O-N 3.09Å
645P82.9Confident88.3Confident77 Ų7740.3 Ų40.350%0.521%0.21SC..Hα-helixtrans-55.2-34.9-178.7-27.935.6000113.5L647 V648 S649P645-L647 VanDerWaalsContact C-N 3.26Å; P645-L647 PolarHBondContact O-N 2.92Å; P645-V648 PolarHBondContact O-N 3.18Å; P645-V648 VanDerWaalsContact O-N 3.07Å; P645-S649 PolarHBondContact O-N 2.76Å; P645-S649 VanDerWaalsContact O-N 3.14Å
646G87.7Confident88Confident21 Ų2143.9 Ų43.922%0.21624%0.24CC..Hα-helixtrans-61.5-27.7175.800000114.5Q644 A650Q644-G646 PolarHBondContact O-N 2.88Å; Q644-G646 VanDerWaalsContact O-N 3.11Å; G646-A650 VanDerWaalsContact O-CB 3.23Å; G646-A650 WeakPolarHBondContact O-CB 3.24Å; G646-A650 PolarHBondContact O-N 3.2Å
647L90.1Very high87.8Confident1 Ų149.2 Ų49.21%0.00527%0.265CS..Hα-helixtrans-66.9-42.9171.8174.658.7000110.9V595 W602 I636 P643 Q644 P645 A650 L651V595-L647 HydrophobicContact CG1-CD1 3.81Å; V595-L647 HydrophobicContact CG1-CD2 3.69Å; V595-L647 HydrophobicContact CG1-CG 4.43Å; W602-L647 HydrophobicContact CH2-CB 3.56Å; W602-L647 HydrophobicContact CH2-CD1 3.83Å; W602-L647 HydrophobicContact CH2-CG 4.14Å; W602-L647 HydrophobicContact CZ2-CB 4.11Å; W602-L647 HydrophobicContact CZ2-CD1 4.29Å; W602-L647 HydrophobicContact CZ2-CD2 4.37Å; W602-L647 HydrophobicContact CZ2-CG 4.47Å; W602-L647 HydrophobicContact CZ3-CB 4.04Å; I636-L647 HydrophobicContact CD1-CD2 4.16Å; I636-L647 HydrophobicContact CG2-CD2 4.36Å; P643-L647 HydrophobicContact CB-CD2 4.15Å; Q644-L647 VanDerWaalsContact O-CB 3.28Å; Q644-L647 WeakPolarHBondContact O-CB 3.32Å; Q644-L647 PolarHBondContact O-N 3.09Å; P645-L647 VanDerWaalsContact C-N 3.26Å; P645-L647 PolarHBondContact O-N 2.92Å; L647-A650 PolarHBondContact O-N 3.42Å; L647-L651 HydrophobicContact CD1-CD1 3.96Å; L647-L651 HydrophobicContact CD1-CG 4.03Å; L647-L651 HydrophobicContact CG-CD1 3.94Å; L647-L651 HydrophobicContact CG-CG 4.46Å; L647-L651 WeakPolarHBondContact O-CB 3.44Å; L647-L651 VanDerWaalsContact O-CG 3.27Å; L647-L651 WeakPolarHBondContact O-CG 3.46Å; L647-L651 PolarHBondContact O-N 3.29Å
648V88.9Confident87.5Confident10 Ų1051 Ų516%0.06128%0.276CS..Hα-helixtrans-64.5-45.4-179.6-172.40000110.1P645 A650 L651 Q652 Q676 L677P645-V648 PolarHBondContact O-N 3.18Å; P645-V648 VanDerWaalsContact O-N 3.07Å; V648-A650 PolarHBondContact O-N 3.13Å; V648-L651 PolarHBondContact O-N 2.69Å; V648-Q652 WeakPolarHBondContact O-CG 3.29Å; V648-Q652 PolarHBondContact O-N 2.86Å; V648-Q676 HydrophobicContact CG2-CB 4.02Å; V648-L677 HydrophobicContact CG2-CD2 4.07Å
649S90.9Very high87.3Confident53 Ų5355.4 Ų55.437%0.37131%0.305SS..Hα-helixtrans-64-38174.1-56.40000112.8P645 Q652 A653P645-S649 PolarHBondContact O-N 2.76Å; P645-S649 VanDerWaalsContact O-N 3.14Å; S649-Q652 PolarHBondContact O-N 3.35Å; S649-A653 WeakPolarHBondContact O-CB 3.08Å; S649-A653 PolarHBondContact O-N 2.68Å
650A92.6Very high87.2Confident0 Ų054.2 Ų54.20%032%0.316CS..Hα-helixtrans-69-3717700000112.5V609 V612 T613 L616 G646 L647 V648 A653 T654V609-A650 HydrophobicContact CG1-CB 4.11Å; V612-A650 HydrophobicContact CB-CB 3.94Å; V612-A650 HydrophobicContact CG1-CB 3.63Å; T613-A650 WeakPolarHBondContact OG1-CA 3.36Å; L616-A650 HydrophobicContact CD1-CB 4.04Å; G646-A650 VanDerWaalsContact O-CB 3.23Å; G646-A650 WeakPolarHBondContact O-CB 3.24Å; G646-A650 PolarHBondContact O-N 3.2Å; L647-A650 PolarHBondContact O-N 3.42Å; V648-A650 PolarHBondContact O-N 3.13Å; A650-A653 PolarHBondContact O-N 2.85Å; A650-T654 VanDerWaalsContact O-CB 3.3Å; A650-T654 WeakPolarHBondContact O-CB 2.83Å; A650-T654 PolarHBondContact O-N 3.1Å; A650-T654 PolarHBondContact O-OG1 2.79Å
651L91.6Very high87.4Confident1 Ų144.8 Ų44.81%0.00528%0.282CS..Hα-helixtrans-64.1-43.3172.4-72.1165.2000111.2L616 I636 L647 V648 T654 Q655 I662 I665 L677 L680L616-L651 HydrophobicContact CD1-CD2 4.08Å; L616-L651 HydrophobicContact CD1-CG 4.35Å; I636-L651 HydrophobicContact CD1-CD1 4.33Å; L647-L651 HydrophobicContact CD1-CD1 3.96Å; L647-L651 HydrophobicContact CD1-CG 4.03Å; L647-L651 HydrophobicContact CG-CD1 3.94Å; L647-L651 HydrophobicContact CG-CG 4.46Å; L647-L651 WeakPolarHBondContact O-CB 3.44Å; L647-L651 VanDerWaalsContact O-CG 3.27Å; L647-L651 WeakPolarHBondContact O-CG 3.46Å; L647-L651 PolarHBondContact O-N 3.29Å; V648-L651 PolarHBondContact O-N 2.69Å; L651-T654 PolarHBondContact O-N 2.77Å; L651-Q655 VanDerWaalsContact O-CB 3.31Å; L651-Q655 WeakPolarHBondContact O-CB 3.41Å; L651-Q655 PolarHBondContact O-N 2.98Å; L651-I662 HydrophobicContact CD2-CD1 3.69Å; L651-I665 HydrophobicContact CD1-CD1 4.21Å; L651-L677 HydrophobicContact CD1-CD2 3.75Å; L651-L680 HydrophobicContact CB-CD1 4.14Å; L651-L680 HydrophobicContact CB-CD2 4.22Å; L651-L680 HydrophobicContact CD1-CD1 4.35Å
652Q90.8Very high87.8Confident78 Ų7842.2 Ų42.236%0.36427%0.27SS..Hα-helixtrans-60-48.2174.1-74.7173.7-26.200111.8V648 S649 Q655 A656 L680V648-Q652 WeakPolarHBondContact O-CG 3.29Å; V648-Q652 PolarHBondContact O-N 2.86Å; S649-Q652 PolarHBondContact O-N 3.35Å; Q652-Q655 PolarHBondContact O-N 3.07Å; Q652-A656 PolarHBondContact O-N 2.71Å; Q652-L680 HydrophobicContact CB-CD2 4.28Å; Q652-L680 HydrophobicContact CG-CD2 3.49Å; Q652-L680 VanDerWaalsContact CG-CD2 3.49Å; Q652-L680 HydrophobicContact CG-CG 4.36Å
653A91.7Very high88.2Confident35 Ų3543.6 Ų43.629%0.28927%0.265SS..Hα-helixtrans-66.3-39.1179.400000112.6T613 S649 A650 Q655 A656 Q657T613-A653 HydrophobicContact CG2-CB 3.65Å; S649-A653 WeakPolarHBondContact O-CB 3.08Å; S649-A653 PolarHBondContact O-N 2.68Å; A650-A653 PolarHBondContact O-N 2.85Å; A653-Q655 VanDerWaalsContact C-N 3.31Å; A653-Q655 PolarHBondContact O-N 2.98Å; A653-A656 PolarHBondContact O-N 3.43Å; A653-Q657 WeakPolarHBondContact O-CG 3.3Å; A653-Q657 PolarHBondContact O-N 3.31Å
654T91.7Very high88.5Confident0 Ų043.5 Ų43.50%026%0.264CS..Hα-helixtrans-60.1-44.3172.5-56.70000110.4L616 A650 L651 A656 Q657 V658 I662L616-T654 HydrophobicContact CB-CG2 3.88Å; L616-T654 VanDerWaalsContact CB-OG1 3.24Å; L616-T654 WeakPolarHBondContact CB-OG1 3.38Å; A650-T654 VanDerWaalsContact O-CB 3.3Å; A650-T654 WeakPolarHBondContact O-CB 2.83Å; A650-T654 PolarHBondContact O-N 3.1Å; A650-T654 PolarHBondContact O-OG1 2.79Å; L651-T654 PolarHBondContact O-N 2.77Å; T654-A656 VanDerWaalsContact C-N 3.28Å; T654-A656 PolarHBondContact O-N 2.87Å; T654-Q657 PolarHBondContact O-N 2.98Å; T654-V658 PolarHBondContact O-N 3.38Å; T654-I662 HydrophobicContact CG2-CD1 4.27Å
655Q89.8Confident89Confident27 Ų2741 Ų4113%0.12625%0.253CS..Hα-helixtrans-69.6-27.8-177.3-166.952.487.400112.7L651 Q652 A653 V658 I662L651-Q655 VanDerWaalsContact O-CB 3.31Å; L651-Q655 WeakPolarHBondContact O-CB 3.41Å; L651-Q655 PolarHBondContact O-N 2.98Å; Q652-Q655 PolarHBondContact O-N 3.07Å; A653-Q655 VanDerWaalsContact C-N 3.31Å; A653-Q655 PolarHBondContact O-N 2.98Å; Q655-V658 PolarHBondContact NE2-O 2.81Å; Q655-V658 CarbonylContact O-C 3.56Å; Q655-I662 PolarHBondContact OE1-O 2.87Å; Q655-I662 VanDerWaalsContact OE1-O 3.11Å
656A89.4Confident89.5Confident79 Ų7937.4 Ų37.465%0.65323%0.229SC*.Hα-helixtrans-76.2-38.2171.300000113.1Q652 A653 T654Q652-A656 PolarHBondContact O-N 2.71Å; A653-A656 PolarHBondContact O-N 3.43Å; T654-A656 VanDerWaalsContact C-N 3.28Å; T654-A656 PolarHBondContact O-N 2.87Å
657Q87.7Confident89.8Confident112 Ų11236.4 Ų36.452%0.52322%0.219SC..Hα-helixtrans-69.1-40.2175.6-74.4178.44.500112.6S617 A653 T654S617-Q657 PolarHBondContact OG-OE1 3.4Å; A653-Q657 WeakPolarHBondContact O-CG 3.3Å; A653-Q657 PolarHBondContact O-N 3.31Å; T654-Q657 PolarHBondContact O-N 2.98Å
658V84.6Confident89.8Confident57 Ų5736.4 Ų36.435%0.34522%0.219SC..SBendtrans-129.986.3-178.1-1660000109.7T654 Q655 S661T654-V658 PolarHBondContact O-N 3.38Å; Q655-V658 PolarHBondContact NE2-O 2.81Å; Q655-V658 CarbonylContact O-C 3.56Å; V658-S661 WeakPolarHBondContact O-CB 3.38Å; V658-S661 PolarHBondContact O-N 2.93Å; V658-S661 PolarHBondContact O-OG 2.88Å
659P84Confident89.8Confident104 Ų10436.5 Ų36.568%0.67522%0.223SC*.THydrogen-bonded Turntrans-52.8143178.1-29.437000113.6S661P659-S661 PolarHBondContact O-N 3.14Å
660A81.6Confident89.5Confident75 Ų7541.1 Ų41.162%0.6224%0.238SC*.THydrogen-bonded Turntrans57.26.2-176.300000117.2I662A660-I662 PolarHBondContact O-N 2.87Å
661S85.8Confident89.1Confident11 Ų1146.9 Ų46.98%0.07726%0.263CS..SBendtrans-58.3-42.5177.155.50000114.3G631 L632 V658 P659G631-S661 CarbonylContact C-O 3.6Å; G631-S661 WeakPolarHBondContact CA-O 3.45Å; L632-S661 PolarHBondContact N-O 3.37Å; V658-S661 WeakPolarHBondContact O-CB 3.38Å; V658-S661 PolarHBondContact O-N 2.93Å; V658-S661 PolarHBondContact O-OG 2.88Å; P659-S661 PolarHBondContact O-N 3.14Å
662I91.7Very high88.6Confident5 Ų553 Ų533%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-106.1122178.3-64.5166.8000108V634 L651 T654 Q655 A660 I665 V683V634-I662 HydrophobicContact CG2-CB 4.43Å; V634-I662 HydrophobicContact CG2-CD1 4.15Å; V634-I662 HydrophobicContact CG2-CG1 3.96Å; V634-I662 HydrophobicContact CG2-CG2 3.71Å; L651-I662 HydrophobicContact CD2-CD1 3.69Å; T654-I662 HydrophobicContact CG2-CD1 4.27Å; Q655-I662 PolarHBondContact OE1-O 2.87Å; Q655-I662 VanDerWaalsContact OE1-O 3.11Å; A660-I662 PolarHBondContact O-N 2.87Å; I662-I665 HydrophobicContact CG2-CG1 4.17Å; I662-V683 HydrophobicContact CG2-CG1 4Å; I662-V683 HydrophobicContact CG2-CG2 4.31Å
663R89.6Confident88.1Confident110 Ų11050.6 Ų50.642%0.41529%0.285SS..EExtended strand (participates in β ladder)trans-115.6-15.3-174.4-165.351.4172.6158.6-4.3114.6R590 L632 D682 Q684R590-R663 PolarHBondContact NH1-O 3.45Å; L632-R663 PolarHBondContact O-N 3.19Å; R663-D682 PolarHBondContact NH1-O 3.39Å; R663-Q684 PolarHBondContact O-N 2.83Å; R663-Q684 PolarHBondContact O-NE2 2.65Å
664A92.2Very high87.7Confident4 Ų448.9 Ų48.93%0.03327%0.271CS..EExtended strand (participates in β ladder)trans-149.8152.9164.600000111.5L632 V634 Q684L632-A664 PolarHBondContact O-N 3.4Å; V634-A664 PolarHBondContact N-O 2.79Å; A664-Q684 CarbonylContact C-O 3.5Å; A664-Q684 WeakPolarHBondContact CA-O 3.47Å; A664-Q684 HydrophobicContact CB-CB 4.25Å
665I94Very high87.3Confident0 Ų053.6 Ų53.60%030%0.296CS..EExtended strand (participates in β ladder)trans-119.8117.1166.7-70.8165.4000107.8V634 I636 L651 I662 L677 L680 V683 Q684 V685 E686V634-I665 HydrophobicContact CB-CG1 4.11Å; V634-I665 CarbonylContact O-C 3.53Å; V634-I665 VanDerWaalsContact O-CA 3.29Å; V634-I665 WeakPolarHBondContact O-CA 3.36Å; I636-I665 HydrophobicContact CD1-CG2 3.73Å; I636-I665 HydrophobicContact CG1-CG2 4.34Å; L651-I665 HydrophobicContact CD1-CD1 4.21Å; I662-I665 HydrophobicContact CG2-CG1 4.17Å; I665-L677 HydrophobicContact CD1-CD2 4.46Å; I665-L677 HydrophobicContact CG2-CD1 4.3Å; I665-L680 HydrophobicContact CD1-CD1 3.29Å; I665-V683 HydrophobicContact CB-CG1 4.34Å; I665-V683 HydrophobicContact CD1-CG1 3.78Å; I665-V683 HydrophobicContact CG1-CG1 3.79Å; I665-Q684 PolarHBondContact N-O 3.24Å; I665-V685 HydrophobicContact CB-CG2 4.36Å; I665-V685 HydrophobicContact CD1-CG2 4.49Å; I665-V685 HydrophobicContact CG2-CG1 4.44Å; I665-V685 WeakPolarHBondContact O-CA 3.44Å; I665-E686 PolarHBondContact O-N 3.31Å
666L93.6Very high86.9Confident2 Ų256.7 Ų56.71%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-93.1111.5169.9-58-178.2000107.2V634 L635 I636 E686 L688 L694 H697 V698V634-L666 PolarHBondContact O-N 3.01Å; L635-L666 WeakPolarHBondContact CA-O 3.47Å; L635-L666 HydrophobicContact CD1-CB 3.77Å; L635-L666 WeakPolarHBondContact CD1-O 3.23Å; I636-L666 PolarHBondContact N-O 3.26Å; L666-E686 HydrophobicContact CD2-CB 4.09Å; L666-E686 HydrophobicContact CD2-CG 4.45Å; L666-L688 HydrophobicContact CB-CD1 4Å; L666-L688 HydrophobicContact CD2-CD1 4.42Å; L666-L694 HydrophobicContact CD1-CD1 3.96Å; L666-H697 HydrophobicContact CD1-CB 3.99Å; L666-H697 HydrophobicContact CD2-CB 4.1Å; L666-V698 HydrophobicContact CD1-CG2 3.7Å
667F93.1Very high86.5Confident0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-103.3115.3-179.3-177.3-90.7000110.4I636 A638 P643 E670 A673 A674 L677 E686 V687 L688I636-F667 HydrophobicContact CB-CD2 4.07Å; I636-F667 HydrophobicContact CG2-CD2 4.01Å; I636-F667 HydrophobicContact CG2-CE2 4.09Å; A638-F667 HydrophobicContact CB-CD2 4.39Å; A638-F667 HydrophobicContact CB-CE1 4.01Å; A638-F667 HydrophobicContact CB-CE2 3.47Å; A638-F667 VanDerWaalsContact CB-CE2 3.47Å; A638-F667 HydrophobicContact CB-CZ 3.25Å; P643-F667 HydrophobicContact CB-CE2 4.31Å; P643-F667 HydrophobicContact CG-CE2 3.73Å; P643-F667 HydrophobicContact CG-CZ 4.25Å; F667-E670 VanDerWaalsContact CE1-O 3.29Å; F667-E670 WeakPolarHBondContact CE1-O 3.44Å; F667-A673 HydrophobicContact CE1-CB 4.31Å; F667-A673 HydrophobicContact CZ-CB 3.89Å; F667-A674 HydrophobicContact CB-CB 4.41Å; F667-A674 HydrophobicContact CD1-CB 3.53Å; F667-A674 HydrophobicContact CD2-CB 4.48Å; F667-A674 HydrophobicContact CE1-CB 3.81Å; F667-A674 HydrophobicContact CG-CB 3.88Å; F667-A674 HydrophobicContact CZ-CB 4.38Å; F667-L677 HydrophobicContact CB-CD1 4.41Å; F667-L677 HydrophobicContact CD2-CD1 3.34Å; F667-L677 HydrophobicContact CE2-CD1 3.87Å; F667-L677 HydrophobicContact CG-CD1 4.13Å; F667-E686 PolarHBondContact N-O 2.9Å; F667-V687 HydrophobicContact CD1-CG1 4.47Å; F667-L688 PolarHBondContact O-N 3.2Å
668L91.5Very high86.1Confident1 Ų152.5 Ų52.51%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-100.595.9-178-174.770.7000110.1L635 I636 A638 R639 L688 L691 L707L635-L668 HydrophobicContact CD1-CB 4.48Å; I636-L668 PolarHBondContact O-N 2.77Å; A638-L668 CarbonylContact C-O 3.57Å; A638-L668 WeakPolarHBondContact CA-O 3.38Å; A638-L668 PolarHBondContact N-O 3.12Å; R639-L668 HydrophobicContact CG-CD2 3.97Å; R639-L668 HydrophobicContact CG-CG 3.81Å; R639-L668 PolarHBondContact N-O 2.94Å; L668-L688 WeakPolarHBondContact CA-O 3.5Å; L668-L688 HydrophobicContact CD1-CB 4.05Å; L668-L691 HydrophobicContact CD1-CD2 4.47Å; L668-L691 HydrophobicContact CD2-CD2 3.6Å; L668-L691 HydrophobicContact CD2-CG 4.36Å; L668-L707 HydrophobicContact CD2-CD2 3.75Å
669G88.6Confident85.7Confident13 Ų1354.2 Ų54.213%0.13429%0.288CS..SBendtrans167.4-161.7-174.400000113.8L688G669-L688 PolarHBondContact N-O 3.06Å
670E84.2Confident85.3Confident149 Ų14949.8 Ų49.870%0.69626%0.259SS*.  trans-74144.1177.7-62.5-172.5158.800112.2F667 E672 A673 A674F667-E670 VanDerWaalsContact CE1-O 3.29Å; F667-E670 WeakPolarHBondContact CE1-O 3.44Å; E670-E672 VanDerWaalsContact C-N 3.26Å; E670-E672 PolarHBondContact O-N 2.86Å; E670-A673 PolarHBondContact O-N 2.82Å; E670-A674 PolarHBondContact O-N 2.91Å
671K83.3Confident84.9Confident122 Ų12250.4 Ų50.453%0.5326%0.257SS..THydrogen-bonded Turntrans-68.1-30.6-170.9-177.1-177.4176.9-173.40112.7A674 L675 V687K671-A674 WeakPolarHBondContact O-CB 3.31Å; K671-A674 PolarHBondContact O-N 2.9Å; K671-A674 VanDerWaalsContact O-N 3.15Å; K671-L675 PolarHBondContact O-N 3.07Å; K671-V687 HydrophobicContact CB-CG1 4.01Å; K671-V687 HydrophobicContact CG-CG1 4.24Å
672E82.1Confident84.5Confident128 Ų12856.7 Ų56.760%0.59829%0.289SS*.THydrogen-bonded Turntrans-68.1-38.7-177.7-6856.2-130.200110.2E670 A674 L675E670-E672 VanDerWaalsContact C-N 3.26Å; E670-E672 PolarHBondContact O-N 2.86Å; E672-A674 VanDerWaalsContact C-N 3.3Å; E672-A674 PolarHBondContact O-N 2.62Å; E672-L675 WeakPolarHBondContact O-CB 3.49Å; E672-L675 WeakPolarHBondContact O-CG 3.26Å; E672-L675 PolarHBondContact O-N 3.39Å
673A80.6Confident84.2Confident28 Ų2857.2 Ų57.223%0.23129%0.293CS..G310 helixtrans-68.8-26.6172.200000112.9P642 F667 E670 L675P642-A673 HydrophobicContact CB-CB 4.16Å; F667-A673 HydrophobicContact CE1-CB 4.31Å; F667-A673 HydrophobicContact CZ-CB 3.89Å; E670-A673 PolarHBondContact O-N 2.82Å; A673-L675 VanDerWaalsContact C-N 3.32Å; A673-L675 PolarHBondContact O-N 2.87Å
674A83.8Confident84.1Confident0 Ų057.5 Ų57.50%030%0.299CS..G310 helixtrans-78-11.5178.800000114.3F667 E670 K671 E672 Q676 L677 V687F667-A674 HydrophobicContact CB-CB 4.41Å; F667-A674 HydrophobicContact CD1-CB 3.53Å; F667-A674 HydrophobicContact CD2-CB 4.48Å; F667-A674 HydrophobicContact CE1-CB 3.81Å; F667-A674 HydrophobicContact CG-CB 3.88Å; F667-A674 HydrophobicContact CZ-CB 4.38Å; E670-A674 PolarHBondContact O-N 2.91Å; K671-A674 WeakPolarHBondContact O-CB 3.31Å; K671-A674 PolarHBondContact O-N 2.9Å; K671-A674 VanDerWaalsContact O-N 3.15Å; E672-A674 VanDerWaalsContact C-N 3.3Å; E672-A674 PolarHBondContact O-N 2.62Å; A674-Q676 VanDerWaalsContact C-N 3.27Å; A674-Q676 PolarHBondContact O-N 3.13Å; A674-L677 PolarHBondContact O-N 3.33Å; A674-L677 VanDerWaalsContact O-N 3.14Å; A674-V687 HydrophobicContact CB-CG1 4.39Å; A674-V687 HydrophobicContact CB-CG2 3.53Å
675L83.1Confident84Confident98 Ų9859.1 Ų59.151%0.51331%0.308SS..G310 helixtrans-58.7-36.5-175.5-68.6173.3000112.6K671 E672 A673 L677 Q678K671-L675 PolarHBondContact O-N 3.07Å; E672-L675 WeakPolarHBondContact O-CB 3.49Å; E672-L675 WeakPolarHBondContact O-CG 3.26Å; E672-L675 PolarHBondContact O-N 3.39Å; A673-L675 VanDerWaalsContact C-N 3.32Å; A673-L675 PolarHBondContact O-N 2.87Å; L675-L677 VanDerWaalsContact C-N 3.29Å; L675-L677 PolarHBondContact O-N 3.46Å; L675-Q678 PolarHBondContact O-N 2.85Å
676Q80.4Confident83.8Confident93 Ų9363.1 Ų63.144%0.43533%0.327SS..G310 helixtrans-63.7-34.5179.6-58.2-174.714.100112.5V648 A674 Q678 T679V648-Q676 HydrophobicContact CG2-CB 4.02Å; A674-Q676 VanDerWaalsContact C-N 3.27Å; A674-Q676 PolarHBondContact O-N 3.13Å; Q676-Q678 VanDerWaalsContact C-N 3.33Å; Q676-Q678 PolarHBondContact O-N 2.97Å; Q676-T679 WeakPolarHBondContact O-CB 3.23Å; Q676-T679 PolarHBondContact O-N 3.17Å; Q676-T679 PolarHBondContact O-OG1 2.96Å
677L81.4Confident83.7Confident0 Ų065.1 Ų65.10%034%0.339CS..G310 helixtrans-72.5-26.6-179.1-66.6163.1000112.3I636 V648 L651 I665 F667 A674 L675 T679 L680 V685I636-L677 HydrophobicContact CD1-CD1 3.7Å; I636-L677 HydrophobicContact CD1-CD2 3.93Å; V648-L677 HydrophobicContact CG2-CD2 4.07Å; L651-L677 HydrophobicContact CD1-CD2 3.75Å; I665-L677 HydrophobicContact CD1-CD2 4.46Å; I665-L677 HydrophobicContact CG2-CD1 4.3Å; F667-L677 HydrophobicContact CB-CD1 4.41Å; F667-L677 HydrophobicContact CD2-CD1 3.34Å; F667-L677 HydrophobicContact CE2-CD1 3.87Å; F667-L677 HydrophobicContact CG-CD1 4.13Å; A674-L677 PolarHBondContact O-N 3.33Å; A674-L677 VanDerWaalsContact O-N 3.14Å; L675-L677 VanDerWaalsContact C-N 3.29Å; L675-L677 PolarHBondContact O-N 3.46Å; L677-T679 PolarHBondContact O-N 3.24Å; L677-L680 HydrophobicContact CD2-CD1 4.29Å; L677-L680 WeakPolarHBondContact O-CB 3.25Å; L677-L680 PolarHBondContact O-N 3.17Å; L677-L680 VanDerWaalsContact O-N 3.1Å; L677-V685 HydrophobicContact CB-CG1 4Å
678Q78.5Confident83.6Confident102 Ų10265.3 Ų65.348%0.47734%0.34SS..G310 helixtrans-66-8176.8-63.3171.135.900113L675 Q676 L680 V685L675-Q678 PolarHBondContact O-N 2.85Å; Q676-Q678 VanDerWaalsContact C-N 3.33Å; Q676-Q678 PolarHBondContact O-N 2.97Å; Q678-L680 PolarHBondContact O-N 3.11Å; Q678-V685 HydrophobicContact CG-CB 4.44Å; Q678-V685 HydrophobicContact CG-CG1 4.26Å
679T75.8Confident83.4Confident94 Ų9470.9 Ų70.958%0.57737%0.374SS*.G310 helixtrans-77.2-1.3171.8-28.80000113.4Q676 L677 P681Q676-T679 WeakPolarHBondContact O-CB 3.23Å; Q676-T679 PolarHBondContact O-N 3.17Å; Q676-T679 PolarHBondContact O-OG1 2.96Å; L677-T679 PolarHBondContact O-N 3.24Å; T679-P681 WeakPolarHBondContact O-CD 3.32Å
680L77.4Confident83.4Confident11 Ų1172.5 Ų72.56%0.05838%0.383CS..  trans-84.1117.1179.6-77.7161000111.7L651 Q652 I665 L677 Q678 V683L651-L680 HydrophobicContact CB-CD1 4.14Å; L651-L680 HydrophobicContact CB-CD2 4.22Å; L651-L680 HydrophobicContact CD1-CD1 4.35Å; Q652-L680 HydrophobicContact CB-CD2 4.28Å; Q652-L680 HydrophobicContact CG-CD2 3.49Å; Q652-L680 VanDerWaalsContact CG-CD2 3.49Å; Q652-L680 HydrophobicContact CG-CG 4.36Å; I665-L680 HydrophobicContact CD1-CD1 3.29Å; L677-L680 HydrophobicContact CD2-CD1 4.29Å; L677-L680 WeakPolarHBondContact O-CB 3.25Å; L677-L680 PolarHBondContact O-N 3.17Å; L677-L680 VanDerWaalsContact O-N 3.1Å; Q678-L680 PolarHBondContact O-N 3.11Å; L680-V683 HydrophobicContact CB-CB 4.13Å; L680-V683 HydrophobicContact CB-CG2 4.19Å
681P71.9Confident83.5Confident88 Ų8866.9 Ų66.957%0.57136%0.358SS*.THydrogen-bonded Turntrans-68146.3176.629.4-34.7000111.5T679 V683T679-P681 WeakPolarHBondContact O-CD 3.32Å; P681-V683 PolarHBondContact O-N 3.05Å
682D78.6Confident83.8Confident142 Ų14269.2 Ų69.276%0.75937%0.368SS*.THydrogen-bonded Turntrans574.2177.7-66.4-48.7000117.8R663R663-D682 PolarHBondContact NH1-O 3.39Å
683V85.1Confident84.1Confident17 Ų1764.2 Ų64.210%0.10335%0.349CS..  trans-97.5130.3174.9-175.60000110.8I662 I665 L680 P681 V685I662-V683 HydrophobicContact CG2-CG1 4Å; I662-V683 HydrophobicContact CG2-CG2 4.31Å; I665-V683 HydrophobicContact CB-CG1 4.34Å; I665-V683 HydrophobicContact CD1-CG1 3.78Å; I665-V683 HydrophobicContact CG1-CG1 3.79Å; L680-V683 HydrophobicContact CB-CB 4.13Å; L680-V683 HydrophobicContact CB-CG2 4.19Å; P681-V683 PolarHBondContact O-N 3.05Å; V683-V685 HydrophobicContact CG1-CG2 4.39Å; V683-V685 PolarHBondContact O-N 3.11Å
684Q86.8Confident84.6Confident116 Ų11662.9 Ų62.954%0.54234%0.338SS..EExtended strand (participates in β ladder)trans-78.8103.8172.4-72.8166.293.500110.1R663 A664 I665R663-Q684 PolarHBondContact O-N 2.83Å; R663-Q684 PolarHBondContact O-NE2 2.65Å; A664-Q684 CarbonylContact C-O 3.5Å; A664-Q684 WeakPolarHBondContact CA-O 3.47Å; A664-Q684 HydrophobicContact CB-CB 4.25Å; I665-Q684 PolarHBondContact N-O 3.24Å
685V90.3Very high84.9Confident37 Ų3764.7 Ų64.722%0.22435%0.35CS..EExtended strand (participates in β ladder)trans-94121.5177.7-174.30000110I665 L677 Q678 V683I665-V685 HydrophobicContact CB-CG2 4.36Å; I665-V685 HydrophobicContact CD1-CG2 4.49Å; I665-V685 HydrophobicContact CG2-CG1 4.44Å; I665-V685 WeakPolarHBondContact O-CA 3.44Å; L677-V685 HydrophobicContact CB-CG1 4Å; Q678-V685 HydrophobicContact CG-CB 4.44Å; Q678-V685 HydrophobicContact CG-CG1 4.26Å; V683-V685 HydrophobicContact CG1-CG2 4.39Å; V683-V685 PolarHBondContact O-N 3.11Å
686E90.3Very high85.3Confident85 Ų8566.5 Ų66.540%0.39736%0.356SS..EExtended strand (participates in β ladder)trans-125.7125.5-174.2-176.8155.1-13300110.7I665 L666 F667 L688 H697I665-E686 PolarHBondContact O-N 3.31Å; L666-E686 HydrophobicContact CD2-CB 4.09Å; L666-E686 HydrophobicContact CD2-CG 4.45Å; F667-E686 PolarHBondContact N-O 2.9Å; E686-L688 HydrophobicContact CG-CD2 4.26Å; E686-H697 VanDerWaalsContact CD-ND1 3.29Å; E686-H697 IonicContact OE1-CE1 3.09Å; E686-H697 PolarHBondContact OE1-CE1 2.92Å; E686-H697 IonicContact OE1-ND1 3.18Å; E686-H697 IonicContact OE2-CE1 3.04Å; E686-H697 PolarHBondContact OE2-CE1 2.8Å; E686-H697 IonicContact OE2-CG 2.75Å; E686-H697 IonicContact OE2-ND1 3.53Å; E686-H697 PolarHBondContact OE2-ND1 3.05Å
687V91.5Very high85.8Confident43 Ų4364.4 Ų64.426%0.26135%0.346SS..EExtended strand (participates in β ladder)trans-100.2121-172.8-178.70000110.3F667 K671 A674F667-V687 HydrophobicContact CD1-CG1 4.47Å; K671-V687 HydrophobicContact CB-CG1 4.01Å; K671-V687 HydrophobicContact CG-CG1 4.24Å; A674-V687 HydrophobicContact CB-CG1 4.39Å; A674-V687 HydrophobicContact CB-CG2 3.53Å
688L91.1Very high86.4Confident5 Ų564.4 Ų64.43%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-116.9113.1-173.7-57.7171.5000109.5L666 F667 L668 G669 E686 S690 A693 L694L666-L688 HydrophobicContact CB-CD1 4Å; L666-L688 HydrophobicContact CD2-CD1 4.42Å; F667-L688 PolarHBondContact O-N 3.2Å; L668-L688 WeakPolarHBondContact CA-O 3.5Å; L668-L688 HydrophobicContact CD1-CB 4.05Å; G669-L688 PolarHBondContact N-O 3.06Å; E686-L688 HydrophobicContact CG-CD2 4.26Å; L688-S690 VanDerWaalsContact C-N 3.3Å; L688-S690 PolarHBondContact O-N 2.77Å; L688-A693 HydrophobicContact CB-CB 4.32Å; L688-A693 HydrophobicContact CD2-CB 3.92Å; L688-L694 HydrophobicContact CD1-CB 4.06Å; L688-L694 HydrophobicContact CD1-CD1 3.63Å; L688-L694 HydrophobicContact CD1-CG 4.46Å
689T86.4Confident87.1Confident117 Ų11762.1 Ų62.172%0.71834%0.337SS*.SBendtrans-83.9-0.7-178.8550000113.9
690S88.2Confident87.8Confident47 Ų4760.3 Ų60.333%0.32933%0.326SS..SBendtrans-162.1159.717865.30000112.9L688 K692 A693 L694L688-S690 VanDerWaalsContact C-N 3.3Å; L688-S690 PolarHBondContact O-N 2.77Å; S690-K692 PolarHBondContact O-N 2.91Å; S690-A693 WeakPolarHBondContact O-CB 3.1Å; S690-A693 PolarHBondContact O-N 3.23Å; S690-A693 VanDerWaalsContact O-N 3.08Å; S690-A693 PolarHBondContact OG-N 3.36Å; S690-L694 PolarHBondContact O-N 2.8Å; S690-L694 VanDerWaalsContact O-N 3.14Å
691L87.9Confident88.4Confident31 Ų3162.5 Ų62.516%0.16234%0.343CS..Hα-helixtrans-62.5-26.9170.7-72.5175.3000113L668 A693 L694 S695 L707 E708L668-L691 HydrophobicContact CD1-CD2 4.47Å; L668-L691 HydrophobicContact CD2-CD2 3.6Å; L668-L691 HydrophobicContact CD2-CG 4.36Å; L691-A693 VanDerWaalsContact C-N 3.34Å; L691-L694 HydrophobicContact CD2-CD2 3.81Å; L691-L694 WeakPolarHBondContact O-CB 3.32Å; L691-L694 PolarHBondContact O-N 2.69Å; L691-S695 PolarHBondContact O-N 2.85Å; L691-S695 VanDerWaalsContact O-N 3.1Å; L691-L707 HydrophobicContact CD2-CB 4.29Å; L691-L707 HydrophobicContact CD2-CD2 3.91Å; L691-E708 HydrophobicContact CD1-CB 4.04Å; L691-E708 HydrophobicContact CD1-CG 3.76Å; L691-E708 WeakPolarHBondContact CD1-OE1 3.45Å
692K88.1Confident89.3Confident172 Ų17260.8 Ų60.875%0.74833%0.327SS*.Hα-helixtrans-63.3-41.9171.8-69.3-176179.7177.70111.1S690 S695S690-K692 PolarHBondContact O-N 2.91Å; K692-S695 WeakPolarHBondContact O-CB 3.43Å; K692-S695 PolarHBondContact O-N 3.24Å; K692-S695 PolarHBondContact O-OG 3.49Å
693A89.7Confident89.9Confident23 Ų2354.4 Ų54.419%0.1929%0.293CS..Hα-helixtrans-61.1-48.1172.200000110.9L688 S690 L691 S695 H696 H697L688-A693 HydrophobicContact CB-CB 4.32Å; L688-A693 HydrophobicContact CD2-CB 3.92Å; S690-A693 WeakPolarHBondContact O-CB 3.1Å; S690-A693 PolarHBondContact O-N 3.23Å; S690-A693 VanDerWaalsContact O-N 3.08Å; S690-A693 PolarHBondContact OG-N 3.36Å; L691-A693 VanDerWaalsContact C-N 3.34Å; A693-S695 PolarHBondContact O-N 3Å; A693-S695 VanDerWaalsContact O-N 3.1Å; A693-H696 WeakPolarHBondContact O-CB 3.38Å; A693-H696 PolarHBondContact O-CD2 3.19Å; A693-H696 PolarHBondContact O-N 3.35Å; A693-H697 PolarHBondContact O-CD2 3.09Å; A693-H697 VanDerWaalsContact O-CD2 3.23Å
694L91.3Very high90.1Very high0 Ų053.9 Ų53.90%029%0.29CS..Hα-helixtrans-52.6-35.1177.5-179.463000113.7L635 L666 L688 S690 L691 H696 H697 V698 L703L635-L694 HydrophobicContact CD1-CD1 3.81Å; L635-L694 HydrophobicContact CD1-CD2 4.29Å; L635-L694 HydrophobicContact CD2-CD1 4.21Å; L635-L694 HydrophobicContact CD2-CD2 3.96Å; L666-L694 HydrophobicContact CD1-CD1 3.96Å; L688-L694 HydrophobicContact CD1-CB 4.06Å; L688-L694 HydrophobicContact CD1-CD1 3.63Å; L688-L694 HydrophobicContact CD1-CG 4.46Å; S690-L694 PolarHBondContact O-N 2.8Å; S690-L694 VanDerWaalsContact O-N 3.14Å; L691-L694 HydrophobicContact CD2-CD2 3.81Å; L691-L694 WeakPolarHBondContact O-CB 3.32Å; L691-L694 PolarHBondContact O-N 2.69Å; L694-H696 PolarHBondContact O-N 3.29Å; L694-H696 VanDerWaalsContact O-N 3.09Å; L694-H697 PolarHBondContact O-N 3.15Å; L694-V698 HydrophobicContact CD1-CB 4.32Å; L694-V698 HydrophobicContact CD1-CG2 3.93Å; L694-V698 PolarHBondContact O-N 3.22Å; L694-L703 HydrophobicContact CD2-CD1 3.67Å; L694-L703 HydrophobicContact CD2-CD2 4.19Å; L694-L703 HydrophobicContact CG-CD1 4.13Å
695S89.8Confident90.2Very high37 Ų3752.3 Ų52.326%0.25930%0.297SS..THydrogen-bonded Turntrans-61.3-16.417880.40000115R587 L691 K692 A693 V698R587-S695 PolarHBondContact NE-O 3.36Å; R587-S695 PolarHBondContact NH2-O 3.14Å; L691-S695 PolarHBondContact O-N 2.85Å; L691-S695 VanDerWaalsContact O-N 3.1Å; K692-S695 WeakPolarHBondContact O-CB 3.43Å; K692-S695 PolarHBondContact O-N 3.24Å; K692-S695 PolarHBondContact O-OG 3.49Å; A693-S695 PolarHBondContact O-N 3Å; A693-S695 VanDerWaalsContact O-N 3.1Å; S695-V698 CarbonylContact C-O 3.33Å; S695-V698 VanDerWaalsContact CA-O 3.31Å; S695-V698 WeakPolarHBondContact CA-O 3.38Å; S695-V698 VanDerWaalsContact O-O 3.04Å
696H91Very high89.9Confident137 Ų13755 Ų5563%0.63431%0.313SS*.THydrogen-bonded Turntrans-78.6-26172.4-61.8-55.9000112.8R587 A693 L694R587-H696 VanDerWaalsContact CD-O 3.25Å; R587-H696 WeakPolarHBondContact CD-O 3.2Å; R587-H696 PolarHBondContact NE-O 2.96Å; A693-H696 WeakPolarHBondContact O-CB 3.38Å; A693-H696 PolarHBondContact O-CD2 3.19Å; A693-H696 PolarHBondContact O-N 3.35Å; L694-H696 PolarHBondContact O-N 3.29Å; L694-H696 VanDerWaalsContact O-N 3.09Å
697H91.1Very high89.7Confident48 Ų4851.1 Ų51.122%0.22230%0.295CS..THydrogen-bonded Turntrans-104.5-31.8-173.3-51.4-90.7000111.6R587 L666 E686 A693 L694R587-H697 WeakPolarHBondContact CG-O 3.48Å; R587-H697 PolarHBondContact N-O 2.82Å; L666-H697 HydrophobicContact CD1-CB 3.99Å; L666-H697 HydrophobicContact CD2-CB 4.1Å; E686-H697 VanDerWaalsContact CD-ND1 3.29Å; E686-H697 IonicContact OE1-CE1 3.09Å; E686-H697 PolarHBondContact OE1-CE1 2.92Å; E686-H697 IonicContact OE1-ND1 3.18Å; E686-H697 IonicContact OE2-CE1 3.04Å; E686-H697 PolarHBondContact OE2-CE1 2.8Å; E686-H697 IonicContact OE2-CG 2.75Å; E686-H697 IonicContact OE2-ND1 3.53Å; E686-H697 PolarHBondContact OE2-ND1 3.05Å; A693-H697 PolarHBondContact O-CD2 3.09Å; A693-H697 VanDerWaalsContact O-CD2 3.23Å; L694-H697 PolarHBondContact O-N 3.15Å
698V93.8Very high89.4Confident0 Ų056.4 Ų56.40%032%0.317CS..BIsolated β-bridgetrans-124.5143.1175.6-177.80000109D586 L592 L666 L694 S695 Q702 L703D586-V698 HydrophobicContact CB-CG2 4.23Å; L592-V698 HydrophobicContact CD1-CG1 3.57Å; L592-V698 HydrophobicContact CD1-CG2 4.12Å; L592-V698 HydrophobicContact CD2-CG2 3.86Å; L666-V698 HydrophobicContact CD1-CG2 3.7Å; L694-V698 HydrophobicContact CD1-CB 4.32Å; L694-V698 HydrophobicContact CD1-CG2 3.93Å; L694-V698 PolarHBondContact O-N 3.22Å; S695-V698 CarbonylContact C-O 3.33Å; S695-V698 VanDerWaalsContact CA-O 3.31Å; S695-V698 WeakPolarHBondContact CA-O 3.38Å; S695-V698 VanDerWaalsContact O-O 3.04Å; V698-Q702 HydrophobicContact CG1-CB 4.07Å; V698-L703 HydrophobicContact CB-CD2 4.2Å; V698-L703 HydrophobicContact CB-CG 4.49Å; V698-L703 HydrophobicContact CG1-CD1 4.44Å; V698-L703 HydrophobicContact CG1-CD2 3.56Å; V698-L703 HydrophobicContact CG1-CG 3.78Å
699D92.5Very high89.2Confident54 Ų5456.5 Ų56.529%0.28932%0.319SS..  trans-75.4132.2171.4-161.7-87.8000110.7R587 S701 Q702R587-D699 IonicContact CZ-OD2 3.39Å; R587-D699 IonicContact NH1-OD2 2.8Å; R587-D699 PolarHBondContact NH1-OD2 3.29Å; R587-D699 IonicContact NH2-OD2 2.7Å; R587-D699 PolarHBondContact NH2-OD2 3.3Å; R587-D699 VanDerWaalsContact NH2-OD2 3.09Å; D699-S701 PolarHBondContact O-N 3.24Å; D699-S701 WeakPolarHBondContact OD1-CB 3.45Å; D699-S701 PolarHBondContact OD1-N 3.31Å; D699-S701 VanDerWaalsContact OD1-N 3.13Å; D699-S701 PolarHBondContact OD1-OG 2.88Å; D699-Q702 HydrophobicContact CB-CG 4.13Å; D699-Q702 WeakPolarHBondContact O-CB 3.23Å; D699-Q702 PolarHBondContact O-N 3.28Å
700P90.4Very high89.3Confident56 Ų5655.9 Ų55.936%0.36432%0.317SS..G310 helixtrans-53.6-30.9-179.5-2936.4000113.9Q702 L703 G709 P710P700-Q702 PolarHBondContact O-N 3.38Å; P700-L703 PolarHBondContact O-N 3Å; P700-L703 VanDerWaalsContact O-N 3.15Å; P700-G709 WeakPolarHBondContact O-CA 3.4Å; P700-P710 WeakPolarHBondContact O-CD 3.39Å
701S90.1Very high89.3Confident57 Ų5755.9 Ų55.940%0.39931%0.311SS..G310 helixtrans-64.8-13.2174.9660000114.9D699D699-S701 PolarHBondContact O-N 3.24Å; D699-S701 WeakPolarHBondContact OD1-CB 3.45Å; D699-S701 PolarHBondContact OD1-N 3.31Å; D699-S701 VanDerWaalsContact OD1-N 3.13Å; D699-S701 PolarHBondContact OD1-OG 2.88Å
702Q91.6Very high89.1Confident53 Ų5359.8 Ų59.825%0.24834%0.338CS..G310 helixtrans-100.1-2.5178-59.2-65.6-77.900113R585 V698 D699 P700R585-Q702 VanDerWaalsContact N-OE1 3.08Å; V698-Q702 HydrophobicContact CG1-CB 4.07Å; D699-Q702 HydrophobicContact CB-CG 4.13Å; D699-Q702 WeakPolarHBondContact O-CB 3.23Å; D699-Q702 PolarHBondContact O-N 3.28Å; P700-Q702 PolarHBondContact O-N 3.38Å
703L90.9Very high89Confident8 Ų854.5 Ų54.54%0.04231%0.314CS..SBendtrans-98.3139.3-178.6-65.9177.4000111.5L635 L694 V698 P700 L707 G709 F711L635-L703 HydrophobicContact CD2-CD2 4Å; L694-L703 HydrophobicContact CD2-CD1 3.67Å; L694-L703 HydrophobicContact CD2-CD2 4.19Å; L694-L703 HydrophobicContact CG-CD1 4.13Å; V698-L703 HydrophobicContact CB-CD2 4.2Å; V698-L703 HydrophobicContact CB-CG 4.49Å; V698-L703 HydrophobicContact CG1-CD1 4.44Å; V698-L703 HydrophobicContact CG1-CD2 3.56Å; V698-L703 HydrophobicContact CG1-CG 3.78Å; P700-L703 PolarHBondContact O-N 3Å; P700-L703 VanDerWaalsContact O-N 3.15Å; L703-L707 HydrophobicContact CB-CB 4.2Å; L703-L707 HydrophobicContact CD1-CB 4.41Å; L703-L707 HydrophobicContact CD2-CD1 4.17Å; L703-G709 CarbonylContact O-C 3.25Å; L703-G709 WeakPolarHBondContact O-CA 3.25Å; L703-F711 WeakPolarHBondContact O-CB 3.33Å; L703-F711 PolarHBondContact O-N 3Å
704P90.1Very high88.8Confident6 Ų655.5 Ų55.54%0.03932%0.32CS..BIsolated β-bridgetrans-74.8165.4174.332.8-36.2000111.8L594 V706 L707 G709 Y713L594-P704 HydrophobicContact CD2-CG 4.02Å; P704-V706 PolarHBondContact O-N 2.95Å; P704-L707 HydrophobicContact CG-CD1 4.36Å; P704-L707 CarbonylContact O-C 3.54Å; P704-L707 WeakPolarHBondContact O-CA 3.49Å; P704-L707 PolarHBondContact O-N 3.43Å; P704-G709 CarbonylContact C-O 3.5Å; P704-G709 PolarHBondContact O-N 2.96Å; P704-Y713 HydrophobicContact CB-CD1 4.29Å; P704-Y713 HydrophobicContact CB-CG 4.44Å
705A87.6Confident88.5Confident82 Ų8255.9 Ų55.968%0.67832%0.321SS*.G310 helixtrans-55.3-26.8-175.400000115.5L707 E708 G709A705-L707 PolarHBondContact O-N 2.83Å; A705-E708 PolarHBondContact O-N 3.02Å; A705-E708 VanDerWaalsContact O-N 3.11Å; A705-G709 VanDerWaalsContact CA-O 3.28Å; A705-G709 WeakPolarHBondContact CA-O 3.31Å; A705-G709 PolarHBondContact N-O 3.49Å
706V83.9Confident88.1Confident93 Ų9357.9 Ų57.956%0.56433%0.332SS*.G310 helixtrans-60.7-24.4174.3-177.90000112.4R639 P704R639-V706 PolarHBondContact NH2-O 3.28Å; P704-V706 PolarHBondContact O-N 2.95Å
707L85.9Confident87.7Confident4 Ų456.6 Ų56.62%0.02133%0.326CS..G310 helixtrans-114.826.1-179.9-65.6163.7000111.4L594 L635 D637 L668 L691 L703 P704 A705 G709L594-L707 HydrophobicContact CD1-CD1 3.8Å; L594-L707 HydrophobicContact CD2-CD1 4.24Å; L635-L707 HydrophobicContact CD2-CD1 3.52Å; L635-L707 HydrophobicContact CG-CD1 4.43Å; D637-L707 HydrophobicContact CB-CD2 4.34Å; L668-L707 HydrophobicContact CD2-CD2 3.75Å; L691-L707 HydrophobicContact CD2-CB 4.29Å; L691-L707 HydrophobicContact CD2-CD2 3.91Å; L703-L707 HydrophobicContact CB-CB 4.2Å; L703-L707 HydrophobicContact CD1-CB 4.41Å; L703-L707 HydrophobicContact CD2-CD1 4.17Å; P704-L707 HydrophobicContact CG-CD1 4.36Å; P704-L707 CarbonylContact O-C 3.54Å; P704-L707 WeakPolarHBondContact O-CA 3.49Å; P704-L707 PolarHBondContact O-N 3.43Å; A705-L707 PolarHBondContact O-N 2.83Å; L707-G709 PolarHBondContact O-N 3.37Å; L707-G709 VanDerWaalsContact O-N 3.15Å
708E85.4Confident87.4Confident154 Ų15455.2 Ų55.272%0.7232%0.319SS*.THydrogen-bonded Turntrans62.215.7176.3-60.9169.2-151.800115.3L691 A705L691-E708 HydrophobicContact CD1-CB 4.04Å; L691-E708 HydrophobicContact CD1-CG 3.76Å; L691-E708 WeakPolarHBondContact CD1-OE1 3.45Å; A705-E708 PolarHBondContact O-N 3.02Å; A705-E708 VanDerWaalsContact O-N 3.11Å
709G88.1Confident86.8Confident7 Ų755.5 Ų55.57%0.07232%0.321CS..  trans-97.5157.917400000114P700 L703 P704 A705 L707 F711P700-G709 WeakPolarHBondContact O-CA 3.4Å; L703-G709 CarbonylContact O-C 3.25Å; L703-G709 WeakPolarHBondContact O-CA 3.25Å; P704-G709 CarbonylContact C-O 3.5Å; P704-G709 PolarHBondContact O-N 2.96Å; A705-G709 VanDerWaalsContact CA-O 3.28Å; A705-G709 WeakPolarHBondContact CA-O 3.31Å; A705-G709 PolarHBondContact N-O 3.49Å; L707-G709 PolarHBondContact O-N 3.37Å; L707-G709 VanDerWaalsContact O-N 3.15Å; G709-F711 VanDerWaalsContact C-N 3.33Å; G709-F711 PolarHBondContact O-N 2.89Å
710P88.4Confident86Confident105 Ų10555.8 Ų55.868%0.68232%0.32SS*.  trans-86.47.2-177.537.3-37.1000114.1P700P700-P710 WeakPolarHBondContact O-CD 3.39Å
711F87.3Confident85.2Confident47 Ų4758.4 Ų58.421%0.20633%0.326CS..BIsolated β-bridgetrans-67.7125.6-176.4-169.1-79.8000110.5P582 L703 G709 Y713P582-F711 WeakPolarHBondContact O-CE1 3.48Å; P582-F711 WeakPolarHBondContact O-CZ 3.4Å; L703-F711 WeakPolarHBondContact O-CB 3.33Å; L703-F711 PolarHBondContact O-N 3Å; G709-F711 VanDerWaalsContact C-N 3.33Å; G709-F711 PolarHBondContact O-N 2.89Å; F711-Y713 PolarHBondContact O-N 2.78Å
712P83.6Confident84.1Confident113 Ų11356.9 Ų56.973%0.73431%0.312SS*.  trans-70.3119.8-179.128.6-33.7000110.4
713Y86.1Confident82.8Confident60 Ų6056.3 Ų56.324%0.23531%0.31CS..  trans-144.7114.1177.2174.3-113.2000111.4C580 P582 P704 F711 H715 W718C580-Y713 WeakPolarHBondContact CB-OH 3.46Å; C580-Y713 PolarHBondContact SG-OH 2.86Å; P582-Y713 HydrophobicContact CB-CD2 3.84Å; P582-Y713 HydrophobicContact CB-CE2 4.32Å; P582-Y713 HydrophobicContact CB-CG 4.03Å; P704-Y713 HydrophobicContact CB-CD1 4.29Å; P704-Y713 HydrophobicContact CB-CG 4.44Å; F711-Y713 PolarHBondContact O-N 2.78Å; Y713-H715 HydrophobicContact CE1-CB 4.2Å; Y713-H715 PolarHBondContact OH-ND1 3.36Å; Y713-W718 HydrophobicContact CE2-CB 3.85Å; Y713-W718 AromaticContact CE2-CD1 3.97Å; Y713-W718 AromaticContact CE2-CG 3.9Å; Y713-W718 HydrophobicContact CE2-CG 3.9Å
714C84.9Confident81Confident45 Ų4559.3 Ų59.330%0.30433%0.328SS..  trans-110.4117.5169.8178.50000109.1T716 E717 W718C714-T716 VanDerWaalsContact C-N 3.29Å; C714-T716 PolarHBondContact O-N 3.36Å; C714-E717 HydrophobicContact CB-CB 4.03Å; C714-E717 HydrophobicContact CB-CG 3.97Å; C714-E717 WeakPolarHBondContact CB-OE1 3.38Å; C714-E717 PolarHBondContact O-N 3.33Å; C714-E717 PolarHBondContact SG-OE1 3.33Å; C714-W718 WeakPolarHBondContact O-CB 3.36Å; C714-W718 PolarHBondContact O-N 2.9Å
715H85.4Confident79.1Confident8 Ų864.2 Ų64.24%0.03735%0.349CS..Hα-helixtrans-65.9-32.6-179.9-177.466.2000112.6F574 R575 R577 Y713 W718 V719F574-H715 PolarHBondContact O-CE1 3.21Å; F574-H715 PolarHBondContact O-NE2 2.95Å; R575-H715 PolarHBondContact O-NE2 3.02Å; R577-H715 HydrophobicContact CG-CB 4.3Å; R577-H715 WeakPolarHBondContact CG-CD2 3.38Å; R577-H715 WeakPolarHBondContact CG-NE2 3.46Å; R577-H715 PolarHBondContact N-NE2 3.49Å; Y713-H715 HydrophobicContact CE1-CB 4.2Å; Y713-H715 PolarHBondContact OH-ND1 3.36Å; H715-W718 AromaticContact CE1-CE3 3.71Å; H715-W718 AromaticContact CE1-CZ3 3.78Å; H715-W718 AromaticContact ND1-CE3 3.65Å; H715-W718 PolarHBondContact O-N 2.72Å; H715-V719 WeakPolarHBondContact NE2-CG2 3.36Å; H715-V719 VanDerWaalsContact O-CG2 3.32Å; H715-V719 WeakPolarHBondContact O-CG2 3.32Å; H715-V719 PolarHBondContact O-N 2.84Å
716T82.3Confident77.1Confident79 Ų7961.4 Ų61.449%0.48532%0.324SS..Hα-helixtrans-66-44.5179.5-47.50000111.3L98 C714 V719 H720L98-T716 HydrophobicContact CD2-CG2 4.48Å; C714-T716 VanDerWaalsContact C-N 3.29Å; C714-T716 PolarHBondContact O-N 3.36Å; T716-V719 PolarHBondContact O-N 3.44Å; T716-H720 WeakPolarHBondContact O-CB 3.45Å; T716-H720 PolarHBondContact O-N 2.92Å
717E83.3Confident74.9Confident109 Ų10962 Ų6251%0.50933%0.327SS..Hα-helixtrans-61.5-43172.3-71.9157.8-139.700111.8L98 C714 H720 F721L98-E717 HydrophobicContact CD1-CG 3.77Å; C714-E717 HydrophobicContact CB-CB 4.03Å; C714-E717 HydrophobicContact CB-CG 3.97Å; C714-E717 WeakPolarHBondContact CB-OE1 3.38Å; C714-E717 PolarHBondContact O-N 3.33Å; C714-E717 PolarHBondContact SG-OE1 3.33Å; E717-H720 PolarHBondContact O-N 3.15Å; E717-F721 WeakPolarHBondContact O-CB 3.35Å; E717-F721 PolarHBondContact O-N 3.4Å
718W84.7Confident72.4Confident19 Ų1966.4 Ų66.47%0.07236%0.355CS..Hα-helixtrans-61.8-45.3177.4-179.893.4000112.2F574 C580 L581 L619 Y713 C714 H715 F721 F722F574-W718 HydrophobicContact CD1-CH2 4.2Å; F574-W718 HydrophobicContact CD1-CZ3 4.13Å; C580-W718 HydrophobicContact CB-CD2 4.29Å; C580-W718 HydrophobicContact CB-CE3 4.36Å; C580-W718 HydrophobicContact CB-CH2 4.01Å; C580-W718 HydrophobicContact CB-CZ2 3.92Å; C580-W718 HydrophobicContact CB-CZ3 4.23Å; L581-W718 VanDerWaalsContact O-CD1 3.28Å; L581-W718 PolarHBondContact O-NE1 2.92Å; L619-W718 HydrophobicContact CD1-CH2 4.35Å; L619-W718 HydrophobicContact CD1-CZ2 4.44Å; L619-W718 HydrophobicContact CD2-CH2 3.83Å; L619-W718 HydrophobicContact CD2-CZ2 3.65Å; Y713-W718 HydrophobicContact CE2-CB 3.85Å; Y713-W718 AromaticContact CE2-CD1 3.97Å; Y713-W718 AromaticContact CE2-CG 3.9Å; Y713-W718 HydrophobicContact CE2-CG 3.9Å; C714-W718 WeakPolarHBondContact O-CB 3.36Å; C714-W718 PolarHBondContact O-N 2.9Å; H715-W718 AromaticContact CE1-CE3 3.71Å; H715-W718 AromaticContact CE1-CZ3 3.78Å; H715-W718 AromaticContact ND1-CE3 3.65Å; H715-W718 PolarHBondContact O-N 2.72Å; W718-F721 PolarHBondContact O-N 3.02Å; W718-F722 AromaticContact CD1-CE2 3.72Å; W718-F722 HydrophobicContact CD2-CD2 4.01Å; W718-F722 HydrophobicContact CD2-CE2 4.42Å; W718-F722 AromaticContact CE2-CD2 3.68Å; W718-F722 AromaticContact CE2-CE2 3.84Å; W718-F722 HydrophobicContact CG-CD2 4.2Å; W718-F722 HydrophobicContact CG-CE2 4.33Å; W718-F722 HydrophobicContact CZ2-CD2 4.11Å; W718-F722 HydrophobicContact CZ2-CE2 4.42Å; W718-F722 AromaticContact NE1-CD2 3.71Å; W718-F722 AromaticContact NE1-CE2 3.38Å; W718-F722 VanDerWaalsContact O-CD2 3.3Å; W718-F722 WeakPolarHBondContact O-CD2 3.37Å; W718-F722 PolarHBondContact O-N 3.02Å; W718-F722 VanDerWaalsContact O-N 3.11Å
719V80.5Confident69.8Low7 Ų762.2 Ų62.24%0.04235%0.346CS..Hα-helixtrans-62.4-47.4175.31700000110.6F574 R575 H715 T716 F721 F722 Q723F574-V719 HydrophobicContact CB-CG1 4.29Å; F574-V719 HydrophobicContact CB-CG2 4.39Å; F574-V719 WeakPolarHBondContact O-CG2 3.3Å; R575-V719 HydrophobicContact CG-CG1 3.98Å; H715-V719 WeakPolarHBondContact NE2-CG2 3.36Å; H715-V719 VanDerWaalsContact O-CG2 3.32Å; H715-V719 WeakPolarHBondContact O-CG2 3.32Å; H715-V719 PolarHBondContact O-N 2.84Å; T716-V719 PolarHBondContact O-N 3.44Å; V719-F721 PolarHBondContact O-N 3.11Å; V719-F722 PolarHBondContact O-N 3.28Å; V719-Q723 VanDerWaalsContact CG1-CD 3.42Å; V719-Q723 HydrophobicContact CG1-CG 4.05Å; V719-Q723 VanDerWaalsContact CG1-NE2 3.3Å; V719-Q723 VanDerWaalsContact O-CB 3.31Å; V719-Q723 WeakPolarHBondContact O-CB 3.46Å; V719-Q723 VanDerWaalsContact O-CG 3.27Å; V719-Q723 WeakPolarHBondContact O-CG 3.45Å; V719-Q723 PolarHBondContact O-N 2.89Å
720H75.1Confident67.2Low59 Ų5965.3 Ų65.327%0.27336%0.358SS..Hα-helixtrans-59.5-45.1178.8-176.8-83000111.7P97 T716 E717 F722 Q723 V724P97-H720 WeakPolarHBondContact CG-NE2 3.25Å; T716-H720 WeakPolarHBondContact O-CB 3.45Å; T716-H720 PolarHBondContact O-N 2.92Å; E717-H720 PolarHBondContact O-N 3.15Å; H720-F722 PolarHBondContact O-N 2.91Å; H720-Q723 PolarHBondContact O-N 3.1Å; H720-V724 WeakPolarHBondContact O-CG2 3.45Å; H720-V724 PolarHBondContact O-N 3.49Å; H720-V724 VanDerWaalsContact O-N 3.16Å
721F73.5Confident64.1Low111 Ų11164.8 Ų64.849%0.48736%0.357SS..Hα-helixtrans-56.1-52.7176.2-177.7-88.2000111.6E717 W718 V719 F725E717-F721 WeakPolarHBondContact O-CB 3.35Å; E717-F721 PolarHBondContact O-N 3.4Å; W718-F721 PolarHBondContact O-N 3.02Å; V719-F721 PolarHBondContact O-N 3.11Å; F721-F725 HydrophobicContact CD1-CD2 4.09Å; F721-F725 HydrophobicContact CD1-CE2 4.2Å; F721-F725 HydrophobicContact CD2-CE2 4.32Å; F721-F725 AromaticContact CE1-CD2 3.84Å; F721-F725 HydrophobicContact CE1-CD2 3.84Å; F721-F725 AromaticContact CE1-CE2 3.68Å; F721-F725 HydrophobicContact CE1-CE2 3.68Å; F721-F725 AromaticContact CE2-CE2 3.83Å; F721-F725 HydrophobicContact CE2-CE2 3.83Å; F721-F725 HydrophobicContact CG-CE2 4.5Å; F721-F725 HydrophobicContact CZ-CD2 4.14Å; F721-F725 AromaticContact CZ-CE2 3.49Å; F721-F725 HydrophobicContact CZ-CE2 3.49Å; F721-F725 VanDerWaalsContact CZ-CE2 3.49Å; F721-F725 HydrophobicContact CZ-CZ 4.39Å; F721-F725 VanDerWaalsContact O-CD2 3.28Å; F721-F725 WeakPolarHBondContact O-CD2 3.4Å; F721-F725 PolarHBondContact O-N 3.08Å
722F68.1Low61.5Low25 Ų2572 Ų7211%0.1141%0.408CS..Hα-helixtrans-75-27.2-177-73.4-66.4000114.2I622 W718 V719 H720 F725 T726I622-F722 HydrophobicContact CB-CE1 4.36Å; I622-F722 HydrophobicContact CD1-CD1 3.64Å; I622-F722 HydrophobicContact CD1-CE1 3.47Å; I622-F722 VanDerWaalsContact CD1-CE1 3.47Å; I622-F722 HydrophobicContact CD1-CE2 4.37Å; I622-F722 HydrophobicContact CD1-CG 4.19Å; I622-F722 HydrophobicContact CD1-CZ 3.87Å; I622-F722 HydrophobicContact CG1-CD1 4.18Å; I622-F722 HydrophobicContact CG1-CE1 3.78Å; I622-F722 HydrophobicContact CG1-CZ 4.42Å; I622-F722 HydrophobicContact CG2-CE1 3.64Å; I622-F722 HydrophobicContact CG2-CZ 3.66Å; W718-F722 AromaticContact CD1-CE2 3.72Å; W718-F722 HydrophobicContact CD2-CD2 4.01Å; W718-F722 HydrophobicContact CD2-CE2 4.42Å; W718-F722 AromaticContact CE2-CD2 3.68Å; W718-F722 AromaticContact CE2-CE2 3.84Å; W718-F722 HydrophobicContact CG-CD2 4.2Å; W718-F722 HydrophobicContact CG-CE2 4.33Å; W718-F722 HydrophobicContact CZ2-CD2 4.11Å; W718-F722 HydrophobicContact CZ2-CE2 4.42Å; W718-F722 AromaticContact NE1-CD2 3.71Å; W718-F722 AromaticContact NE1-CE2 3.38Å; W718-F722 VanDerWaalsContact O-CD2 3.3Å; W718-F722 WeakPolarHBondContact O-CD2 3.37Å; W718-F722 PolarHBondContact O-N 3.02Å; W718-F722 VanDerWaalsContact O-N 3.11Å; V719-F722 PolarHBondContact O-N 3.28Å; H720-F722 PolarHBondContact O-N 2.91Å; F722-F725 PolarHBondContact O-N 3.32Å; F722-T726 PolarHBondContact O-N 3.01Å; F722-T726 PolarHBondContact O-OG1 3.34Å; F722-T726 VanDerWaalsContact O-OG1 3.11Å
723Q64.4Low60.4Low41 Ų4170 Ų7019%0.19239%0.392CS..Hα-helixtrans-66.3-39.1173.1-78.1179.6-10.600112.8V719 H720 F725 T726 V727V719-Q723 VanDerWaalsContact CG1-CD 3.42Å; V719-Q723 HydrophobicContact CG1-CG 4.05Å; V719-Q723 VanDerWaalsContact CG1-NE2 3.3Å; V719-Q723 VanDerWaalsContact O-CB 3.31Å; V719-Q723 WeakPolarHBondContact O-CB 3.46Å; V719-Q723 VanDerWaalsContact O-CG 3.27Å; V719-Q723 WeakPolarHBondContact O-CG 3.45Å; V719-Q723 PolarHBondContact O-N 2.89Å; H720-Q723 PolarHBondContact O-N 3.1Å; Q723-F725 VanDerWaalsContact C-N 3.31Å; Q723-F725 PolarHBondContact O-N 3.22Å; Q723-T726 PolarHBondContact O-N 3.07Å; Q723-T726 PolarHBondContact O-OG1 3.36Å; Q723-V727 WeakPolarHBondContact O-CG2 3.48Å; Q723-V727 PolarHBondContact O-N 3.39Å; Q723-V727 VanDerWaalsContact O-N 3.09Å
724V53.3Low59Low71 Ų7170.5 Ų70.543%0.4340%0.4SS..Hα-helixtrans-59.4-46.1173.1172.10000110.1H720 V727 T728H720-V724 WeakPolarHBondContact O-CG2 3.45Å; H720-V724 PolarHBondContact O-N 3.49Å; H720-V724 VanDerWaalsContact O-N 3.16Å; V724-V727 PolarHBondContact O-N 3.42Å; V724-T728 HydrophobicContact CG1-CG2 4.49Å; V724-T728 WeakPolarHBondContact O-CG2 3.12Å; V724-T728 PolarHBondContact O-N 3.14Å; V724-T728 PolarHBondContact O-OG1 3.17Å; V724-T728 VanDerWaalsContact O-OG1 3.14Å
725F49.7Very low57.6Low109 Ų10971.9 Ų71.948%0.47841%0.406SS..Hα-helixtrans-66.7-36.5179.9-79.1-69.5000114.3F721 F722 Q723 T728 A729F721-F725 HydrophobicContact CD1-CD2 4.09Å; F721-F725 HydrophobicContact CD1-CE2 4.2Å; F721-F725 HydrophobicContact CD2-CE2 4.32Å; F721-F725 AromaticContact CE1-CD2 3.84Å; F721-F725 HydrophobicContact CE1-CD2 3.84Å; F721-F725 AromaticContact CE1-CE2 3.68Å; F721-F725 HydrophobicContact CE1-CE2 3.68Å; F721-F725 AromaticContact CE2-CE2 3.83Å; F721-F725 HydrophobicContact CE2-CE2 3.83Å; F721-F725 HydrophobicContact CG-CE2 4.5Å; F721-F725 HydrophobicContact CZ-CD2 4.14Å; F721-F725 AromaticContact CZ-CE2 3.49Å; F721-F725 HydrophobicContact CZ-CE2 3.49Å; F721-F725 VanDerWaalsContact CZ-CE2 3.49Å; F721-F725 HydrophobicContact CZ-CZ 4.39Å; F721-F725 VanDerWaalsContact O-CD2 3.28Å; F721-F725 WeakPolarHBondContact O-CD2 3.4Å; F721-F725 PolarHBondContact O-N 3.08Å; F722-F725 PolarHBondContact O-N 3.32Å; Q723-F725 VanDerWaalsContact C-N 3.31Å; Q723-F725 PolarHBondContact O-N 3.22Å; F725-T728 WeakPolarHBondContact CA-OG1 3.43Å; F725-T728 PolarHBondContact O-OG1 2.7Å; F725-A729 VanDerWaalsContact O-CB 3.29Å; F725-A729 WeakPolarHBondContact O-CB 3.28Å; F725-A729 PolarHBondContact O-N 3.34Å; F725-A729 VanDerWaalsContact O-N 3.16Å
726T45.5Very low56Low24 Ų2475.7 Ų75.715%0.14743%0.427CS..Hα-helixtrans-72.7-25.8174.641.40000113.6I566 Y618 F722 Q723 F730I566-T726 HydrophobicContact CG2-CG2 4.02Å; Y618-T726 HydrophobicContact CE2-CG2 3.81Å; F722-T726 PolarHBondContact O-N 3.01Å; F722-T726 PolarHBondContact O-OG1 3.34Å; F722-T726 VanDerWaalsContact O-OG1 3.11Å; Q723-T726 PolarHBondContact O-N 3.07Å; Q723-T726 PolarHBondContact O-OG1 3.36Å; T726-F730 WeakPolarHBondContact O-CD2 3.33Å
727V38.3Very low54.3Low104 Ų10475.5 Ų75.563%0.6342%0.424SS*.Hα-helixtrans-73-49.2170.4174.30000110.6Q723 V724 A729 F730Q723-V727 WeakPolarHBondContact O-CG2 3.48Å; Q723-V727 PolarHBondContact O-N 3.39Å; Q723-V727 VanDerWaalsContact O-N 3.09Å; V724-V727 PolarHBondContact O-N 3.42Å; V727-A729 PolarHBondContact O-N 2.91Å; V727-A729 VanDerWaalsContact O-N 3.14Å; V727-F730 PolarHBondContact O-N 2.86Å; V727-F730 VanDerWaalsContact O-N 3.15Å
728T31.8Very low52.4Low98 Ų9873.3 Ų73.360%0.60142%0.418SS*.Hα-helixtrans-65.9-17.6-178.654.40000114.5V724 F725V724-T728 HydrophobicContact CG1-CG2 4.49Å; V724-T728 WeakPolarHBondContact O-CG2 3.12Å; V724-T728 PolarHBondContact O-N 3.14Å; V724-T728 PolarHBondContact O-OG1 3.17Å; V724-T728 VanDerWaalsContact O-OG1 3.14Å; F725-T728 WeakPolarHBondContact CA-OG1 3.43Å; F725-T728 PolarHBondContact O-OG1 2.7Å
729A31.8Very low50.1Low65 Ų6577.1 Ų77.154%0.53744%0.443SS..THydrogen-bonded Turntrans-87.7-1.3177.900000114.3F725 V727F725-A729 VanDerWaalsContact O-CB 3.29Å; F725-A729 WeakPolarHBondContact O-CB 3.28Å; F725-A729 PolarHBondContact O-N 3.34Å; F725-A729 VanDerWaalsContact O-N 3.16Å; V727-A729 PolarHBondContact O-N 2.91Å; V727-A729 VanDerWaalsContact O-N 3.14Å
730F33.3Very low47.8Very low72 Ų7282.5 Ų82.532%0.31647%0.474SS..SBendtrans-135.715.2-173.2-75.8-77.7000115.9R565 I566 T726 V727R565-F730 HydrophobicContact CB-CE1 4.07Å; I566-F730 HydrophobicContact CB-CE2 3.73Å; I566-F730 HydrophobicContact CB-CZ 3.82Å; I566-F730 HydrophobicContact CG2-CE2 4.29Å; T726-F730 WeakPolarHBondContact O-CD2 3.33Å; V727-F730 PolarHBondContact O-N 2.86Å; V727-F730 VanDerWaalsContact O-N 3.15Å
731S23.3Very low45.5Very low95 Ų9584.5 Ų84.566%0.66449%0.49SS*.  trans-78.7142.1152.8-70.10000110
732P32.9Very low42.9Very low199 Ų19982.1 Ų82.1100%1.29249%0.491SS*.  trans-73.70173.633.7-35.9000113

Retrieved 732 of 732 residues in 883.5 ms (Link to these results)

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