X5D9N8_HUMAN Loading...

Patched domain containing 1 isoform C

AlphaFold DB , UniProt , Accession X5D9N8, Species HUMAN (Homo sapiens, Human), Gene PTCHD1, Length 181 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
1M66.5Low86.3Confident198 Ų198139.1 Ų139.198%0.97566%0.657SS**  0-39.80-72.3-162.3160.500114.1R3 Q4 V5M1-R3 PolarHBondContact O-N 3.34Å; M1-Q4 PolarHBondContact O-N 3.2Å; M1-V5 PolarHBondContact O-N 3.04Å
2L80.1Confident86.7Confident151 Ų151132.7 Ų132.779%0.79163%0.634SS**Hα-helixtrans-52.7-43.9179.7-169.570.4000114.8Q4 V5 L6L2-Q4 VanDerWaalsContact C-N 3.32Å; L2-Q4 PolarHBondContact O-N 3.44Å; L2-V5 PolarHBondContact O-N 3.22Å; L2-L6 WeakPolarHBondContact O-CB 3.15Å; L2-L6 PolarHBondContact O-N 3.06Å
3R84.1Confident87.2Confident197 Ų197128.5 Ų128.574%0.74363%0.627SS**Hα-helixtrans-61.3-36.5-179.7-171.8177.6176.8-156.30.1113.4M1 H7M1-R3 PolarHBondContact O-N 3.34Å; R3-H7 WeakPolarHBondContact O-CB 3.35Å; R3-H7 PolarHBondContact O-N 3.36Å
4Q83.4Confident87.7Confident144 Ų144129 Ų12967%0.67362%0.624SS**Hα-helixtrans-73.6-38.9179.6-73.5173.6-24.500111.4M1 L2 H7 R8M1-Q4 PolarHBondContact O-N 3.2Å; L2-Q4 VanDerWaalsContact C-N 3.32Å; L2-Q4 PolarHBondContact O-N 3.44Å; Q4-H7 PolarHBondContact O-N 3.33Å; Q4-R8 WeakPolarHBondContact O-CB 3.34Å; Q4-R8 PolarHBondContact O-N 3.12Å
5V87.7Confident88Confident102 Ų102125.9 Ų125.962%0.61862%0.621SS**Hα-helixtrans-64.6-44.6174.4178.10000110.4M1 L2 R8 G9M1-V5 PolarHBondContact O-N 3.04Å; L2-V5 PolarHBondContact O-N 3.22Å; V5-R8 PolarHBondContact O-N 2.73Å; V5-G9 PolarHBondContact O-N 3.07Å
6L91.5Very high88.4Confident110 Ų110129.8 Ų129.858%0.57663%0.627SS**Hα-helixtrans-60.8-47.1176.1-171.574.1000111.7L2 R8 G9 L10L2-L6 WeakPolarHBondContact O-CB 3.15Å; L2-L6 PolarHBondContact O-N 3.06Å; L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 3.45Å; L6-G9 PolarHBondContact O-N 3.44Å; L6-L10 HydrophobicContact CD1-CD1 4.4Å; L6-L10 HydrophobicContact CD2-CD1 4.39Å; L6-L10 HydrophobicContact CG-CD1 3.9Å; L6-L10 WeakPolarHBondContact O-CB 3.36Å; L6-L10 WeakPolarHBondContact O-CG 3.4Å; L6-L10 PolarHBondContact O-N 3.02Å
7H91.3Very high88.6Confident119 Ų119127 Ų12755%0.55162%0.615SS**Hα-helixtrans-59.8-43.1176.7-104.7-76.1000112.2R3 Q4 R11R3-H7 WeakPolarHBondContact O-CB 3.35Å; R3-H7 PolarHBondContact O-N 3.36Å; Q4-H7 PolarHBondContact O-N 3.33Å; H7-R11 VanDerWaalsContact O-CB 3.24Å; H7-R11 WeakPolarHBondContact O-CB 3.42Å; H7-R11 PolarHBondContact O-N 3.01Å
8R88.3Confident88.8Confident192 Ų192122 Ų12273%0.72560%0.602SS**Hα-helixtrans-69.2-38.5-179.6-157169.5-168.5154.9-0.4111.3Q4 V5 L6 T12Q4-R8 WeakPolarHBondContact O-CB 3.34Å; Q4-R8 PolarHBondContact O-N 3.12Å; V5-R8 PolarHBondContact O-N 2.73Å; L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 3.45Å; R8-T12 WeakPolarHBondContact O-CB 3.35Å; R8-T12 PolarHBondContact O-N 3.05Å; R8-T12 VanDerWaalsContact O-N 3.11Å; R8-T12 PolarHBondContact O-OG1 3.41Å
9G90.3Very high89Confident41 Ų41123.3 Ų123.342%0.42361%0.606SS.*Hα-helixtrans-62.8-52.6173.700000112.3V5 L6 R11 T12 C13V5-G9 PolarHBondContact O-N 3.07Å; L6-G9 PolarHBondContact O-N 3.44Å; G9-R11 PolarHBondContact O-N 3.39Å; G9-T12 PolarHBondContact O-N 3.46Å; G9-C13 WeakPolarHBondContact O-CB 3.35Å; G9-C13 PolarHBondContact O-N 2.83Å
10L93.2Very high89.2Confident79 Ų79122.6 Ų122.641%0.41460%0.599SS.*Hα-helixtrans-60.9-43177.7-74.3166.8000111.8L6 T12 C13 F14L6-L10 HydrophobicContact CD1-CD1 4.4Å; L6-L10 HydrophobicContact CD2-CD1 4.39Å; L6-L10 HydrophobicContact CG-CD1 3.9Å; L6-L10 WeakPolarHBondContact O-CB 3.36Å; L6-L10 WeakPolarHBondContact O-CG 3.4Å; L6-L10 PolarHBondContact O-N 3.02Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 PolarHBondContact O-N 2.81Å; L10-C13 PolarHBondContact O-N 2.67Å; L10-F14 HydrophobicContact CB-CD2 4.24Å; L10-F14 HydrophobicContact CB-CE2 4.26Å; L10-F14 HydrophobicContact CD2-CD2 4.5Å; L10-F14 HydrophobicContact CD2-CE2 3.84Å; L10-F14 WeakPolarHBondContact O-CB 3.31Å; L10-F14 WeakPolarHBondContact O-CD2 3.47Å; L10-F14 PolarHBondContact O-N 3.37Å
11R92.7Very high89.4Confident197 Ų197119.8 Ų119.874%0.74359%0.587SS**Hα-helixtrans-58.6-44.5177-169.8178.597.4157.17111.4H7 G9 S15H7-R11 VanDerWaalsContact O-CB 3.24Å; H7-R11 WeakPolarHBondContact O-CB 3.42Å; H7-R11 PolarHBondContact O-N 3.01Å; G9-R11 PolarHBondContact O-N 3.39Å; R11-S15 WeakPolarHBondContact O-CB 3.42Å; R11-S15 PolarHBondContact O-N 2.88Å
12T91.9Very high90.6Very high62 Ų62113.9 Ų113.938%0.3857%0.569SS.*Hα-helixtrans-69.5-40.4180-47.80000111R8 G9 L10 R16R8-T12 WeakPolarHBondContact O-CB 3.35Å; R8-T12 PolarHBondContact O-N 3.05Å; R8-T12 VanDerWaalsContact O-N 3.11Å; R8-T12 PolarHBondContact O-OG1 3.41Å; G9-T12 PolarHBondContact O-N 3.46Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 PolarHBondContact O-N 2.81Å; T12-R16 WeakPolarHBondContact O-CG 3.17Å; T12-R16 PolarHBondContact O-N 3.05Å
13C92.6Very high91.3Very high79 Ų79109.8 Ų109.853%0.53455%0.553SS.*Hα-helixtrans-63.4-52.8177.6-171.20000111.8G9 L10 S15 R16 L17G9-C13 WeakPolarHBondContact O-CB 3.35Å; G9-C13 PolarHBondContact O-N 2.83Å; L10-C13 PolarHBondContact O-N 2.67Å; C13-S15 VanDerWaalsContact C-N 3.32Å; C13-S15 PolarHBondContact O-N 3.16Å; C13-R16 PolarHBondContact O-N 3.23Å; C13-L17 WeakPolarHBondContact O-CB 3.29Å; C13-L17 PolarHBondContact O-N 2.64Å
14F94.4Very high91.7Very high135 Ų135105 Ų10559%0.59254%0.539SS*.Hα-helixtrans-65.7-34178.6-74.2-59000112.7L10 L17 G18L10-F14 HydrophobicContact CB-CD2 4.24Å; L10-F14 HydrophobicContact CB-CE2 4.26Å; L10-F14 HydrophobicContact CD2-CD2 4.5Å; L10-F14 HydrophobicContact CD2-CE2 3.84Å; L10-F14 WeakPolarHBondContact O-CB 3.31Å; L10-F14 WeakPolarHBondContact O-CD2 3.47Å; L10-F14 PolarHBondContact O-N 3.37Å; F14-L17 HydrophobicContact CD1-CD2 4.33Å; F14-L17 PolarHBondContact O-N 3.09Å; F14-G18 PolarHBondContact O-N 3.25Å
15S92.9Very high92Very high82 Ų82102 Ų10257%0.57353%0.532SS*.Hα-helixtrans-64.6-41.1173.9178.30000111.9R11 C13 H19R11-S15 WeakPolarHBondContact O-CB 3.42Å; R11-S15 PolarHBondContact O-N 2.88Å; C13-S15 VanDerWaalsContact C-N 3.32Å; C13-S15 PolarHBondContact O-N 3.16Å; S15-H19 WeakPolarHBondContact O-CB 3.46Å; S15-H19 PolarHBondContact O-N 3.41Å
16R93.9Very high92.2Very high189 Ų189102.7 Ų102.771%0.71354%0.536SS*.Hα-helixtrans-69.4-43175.6-74179.9179.2176.1-0.6112T12 C13 H19 F20T12-R16 WeakPolarHBondContact O-CG 3.17Å; T12-R16 PolarHBondContact O-N 3.05Å; C13-R16 PolarHBondContact O-N 3.23Å; R16-H19 PolarHBondContact O-N 3.37Å; R16-F20 WeakPolarHBondContact O-CB 3.48Å; R16-F20 PolarHBondContact O-N 2.9Å
17L92.1Very high92.3Very high82 Ų82104 Ų10443%0.42954%0.537SS..Hα-helixtrans-62-46.1176.5-179.164.5000111.2C13 F14 H19 F20 I21C13-L17 WeakPolarHBondContact O-CB 3.29Å; C13-L17 PolarHBondContact O-N 2.64Å; F14-L17 HydrophobicContact CD1-CD2 4.33Å; F14-L17 PolarHBondContact O-N 3.09Å; L17-H19 VanDerWaalsContact C-N 3.34Å; L17-H19 PolarHBondContact O-N 3.44Å; L17-F20 WeakPolarHBondContact O-CB 3.45Å; L17-F20 PolarHBondContact O-N 3.21Å; L17-I21 HydrophobicContact CD1-CD1 4.23Å; L17-I21 HydrophobicContact CG-CD1 3.91Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 3.09Å
18G91.6Very high92.4Very high37 Ų37101.5 Ų101.538%0.38153%0.525SS..Hα-helixtrans-61.8-41.1176.500000112.3F14 F20 I21 A22F14-G18 PolarHBondContact O-N 3.25Å; G18-F20 VanDerWaalsContact C-N 3.33Å; G18-F20 PolarHBondContact O-N 2.88Å; G18-I21 PolarHBondContact O-N 3.44Å; G18-A22 VanDerWaalsContact O-CB 3.29Å; G18-A22 WeakPolarHBondContact O-CB 3.22Å; G18-A22 PolarHBondContact O-N 2.71Å
19H93.6Very high92.5Very high146 Ų14695.4 Ų95.468%0.67652%0.516SS*.Hα-helixtrans-63.2-39.1174.2-172.466.9000112.3S15 R16 L17 A22 S23S15-H19 WeakPolarHBondContact O-CB 3.46Å; S15-H19 PolarHBondContact O-N 3.41Å; R16-H19 PolarHBondContact O-N 3.37Å; L17-H19 VanDerWaalsContact C-N 3.34Å; L17-H19 PolarHBondContact O-N 3.44Å; H19-A22 PolarHBondContact O-N 2.95Å; H19-S23 PolarHBondContact O-N 3.23Å; H19-S23 PolarHBondContact O-OG 3.42Å
20F92.9Very high92.7Very high109 Ų10995.8 Ų95.848%0.47851%0.512SS..Hα-helixtrans-68-38.4176.1-175.1-103.3000113.2R16 L17 G18 S23 H24 F28R16-F20 WeakPolarHBondContact O-CB 3.48Å; R16-F20 PolarHBondContact O-N 2.9Å; L17-F20 WeakPolarHBondContact O-CB 3.45Å; L17-F20 PolarHBondContact O-N 3.21Å; G18-F20 VanDerWaalsContact C-N 3.33Å; G18-F20 PolarHBondContact O-N 2.88Å; F20-S23 PolarHBondContact O-N 3.39Å; F20-S23 PolarHBondContact O-OG 3.08Å; F20-H24 PolarHBondContact O-N 3Å; F20-H24 PolarHBondContact O-ND1 3.14Å; F20-F28 AromaticContact CD1-CE2 3.81Å; F20-F28 HydrophobicContact CD1-CE2 3.81Å; F20-F28 AromaticContact CD1-CZ 3.81Å; F20-F28 HydrophobicContact CD1-CZ 3.81Å; F20-F28 AromaticContact CE1-CE2 3.74Å; F20-F28 HydrophobicContact CE1-CE2 3.74Å; F20-F28 AromaticContact CE1-CZ 3.7Å; F20-F28 HydrophobicContact CE1-CZ 3.7Å
21I93.1Very high92.8Very high65 Ų6593.1 Ų93.133%0.33350%0.501SS..Hα-helixtrans-66.6-44.1174.6-67.6165.1000110.2L17 G18 S23 H24 F28L17-I21 HydrophobicContact CD1-CD1 4.23Å; L17-I21 HydrophobicContact CG-CD1 3.91Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 3.09Å; G18-I21 PolarHBondContact O-N 3.44Å; I21-S23 VanDerWaalsContact C-N 3.28Å; I21-S23 PolarHBondContact O-N 3.4Å; I21-H24 CarbonylContact O-C 3.59Å; I21-H24 VanDerWaalsContact O-C 3.26Å; I21-H24 PolarHBondContact O-N 2.92Å; I21-H24 VanDerWaalsContact O-N 3.14Å; I21-F28 HydrophobicContact CB-CD2 4.25Å; I21-F28 HydrophobicContact CB-CG 4.41Å; I21-F28 HydrophobicContact CG1-CD1 4.06Å; I21-F28 HydrophobicContact CG1-CD2 4.11Å; I21-F28 HydrophobicContact CG1-CE1 4.03Å; I21-F28 HydrophobicContact CG1-CE2 4.09Å; I21-F28 HydrophobicContact CG1-CG 4.09Å; I21-F28 HydrophobicContact CG1-CZ 4.05Å; I21-F28 HydrophobicContact CG2-CB 4.01Å; I21-F28 HydrophobicContact CG2-CD2 4.24Å; I21-F28 HydrophobicContact CG2-CG 4.06Å
22A91.2Very high92.9Very high73 Ų7387 Ų8760%0.60349%0.487SS*.Hα-helixtrans-66.1-28179.600000113.2G18 H19 P25G18-A22 VanDerWaalsContact O-CB 3.29Å; G18-A22 WeakPolarHBondContact O-CB 3.22Å; G18-A22 PolarHBondContact O-N 2.71Å; H19-A22 PolarHBondContact O-N 2.95Å; A22-P25 WeakPolarHBondContact O-CD 3.44Å
23S93.8Very high93.1Very high65 Ų6588.1 Ų88.146%0.45549%0.494SS..Hα-helixtrans-78.5-19.1173.961.30000113.8H19 F20 I21 P25H19-S23 PolarHBondContact O-N 3.23Å; H19-S23 PolarHBondContact O-OG 3.42Å; F20-S23 PolarHBondContact O-N 3.39Å; F20-S23 PolarHBondContact O-OG 3.08Å; I21-S23 VanDerWaalsContact C-N 3.28Å; I21-S23 PolarHBondContact O-N 3.4Å; S23-P25 VanDerWaalsContact C-CD 3.44Å
24H93.8Very high93.3Very high98 Ų9889.2 Ų89.245%0.45449%0.494SS..SBendtrans-127.654.7178.1-60.582.8000112.9F20 I21 V26 F27 F28F20-H24 PolarHBondContact O-N 3Å; F20-H24 PolarHBondContact O-ND1 3.14Å; I21-H24 CarbonylContact O-C 3.59Å; I21-H24 VanDerWaalsContact O-C 3.26Å; I21-H24 PolarHBondContact O-N 2.92Å; I21-H24 VanDerWaalsContact O-N 3.14Å; H24-V26 VanDerWaalsContact C-N 3.32Å; H24-V26 PolarHBondContact O-N 2.91Å; H24-F27 PolarHBondContact O-N 3.3Å; H24-F28 HydrophobicContact CB-CD2 4.15Å; H24-F28 HydrophobicContact CB-CE2 4.27Å; H24-F28 WeakPolarHBondContact O-CD2 3.47Å; H24-F28 PolarHBondContact O-N 2.98Å
25P90.1Very high93.4Very high79 Ų7987.3 Ų87.351%0.51349%0.489SS..Hα-helixtrans-63.6-35-167.625.8-34.4000113.3A22 S23 A29A22-P25 WeakPolarHBondContact O-CD 3.44Å; S23-P25 VanDerWaalsContact C-CD 3.44Å; P25-A29 VanDerWaalsContact O-CB 3.27Å; P25-A29 WeakPolarHBondContact O-CB 3.39Å; P25-A29 PolarHBondContact O-N 2.8Å
26V92Very high93.6Very high118 Ų11887.3 Ų87.372%0.71549%0.488SS*.Hα-helixtrans-67.6-42.9-177.4179.50000111.8H24 A29 S30H24-V26 VanDerWaalsContact C-N 3.32Å; H24-V26 PolarHBondContact O-N 2.91Å; V26-A29 PolarHBondContact O-N 2.86Å; V26-S30 WeakPolarHBondContact O-CB 3.45Å; V26-S30 PolarHBondContact O-N 3.01Å; V26-S30 PolarHBondContact O-OG 3.07Å
27F92.4Very high93.7Very high136 Ų13683.4 Ų83.460%0.59648%0.481SS*.Hα-helixtrans-65.6-44.6179.6179-96.8000111.4H24 A29 S30 A31H24-F27 PolarHBondContact O-N 3.3Å; F27-A29 VanDerWaalsContact C-N 3.3Å; F27-A29 PolarHBondContact O-N 3.46Å; F27-S30 PolarHBondContact O-N 3.43Å; F27-S30 PolarHBondContact O-OG 3.01Å; F27-A31 WeakPolarHBondContact O-CB 3.27Å; F27-A31 PolarHBondContact O-N 3.35Å
28F92.8Very high93.8Very high68 Ų6885.7 Ų85.730%0.29849%0.493SS..Hα-helixtrans-73.8-18.8179-77.7-77.3000113.8F20 I21 H24 P32F20-F28 AromaticContact CD1-CE2 3.81Å; F20-F28 HydrophobicContact CD1-CE2 3.81Å; F20-F28 AromaticContact CD1-CZ 3.81Å; F20-F28 HydrophobicContact CD1-CZ 3.81Å; F20-F28 AromaticContact CE1-CE2 3.74Å; F20-F28 HydrophobicContact CE1-CE2 3.74Å; F20-F28 AromaticContact CE1-CZ 3.7Å; F20-F28 HydrophobicContact CE1-CZ 3.7Å; I21-F28 HydrophobicContact CB-CD2 4.25Å; I21-F28 HydrophobicContact CB-CG 4.41Å; I21-F28 HydrophobicContact CG1-CD1 4.06Å; I21-F28 HydrophobicContact CG1-CD2 4.11Å; I21-F28 HydrophobicContact CG1-CE1 4.03Å; I21-F28 HydrophobicContact CG1-CE2 4.09Å; I21-F28 HydrophobicContact CG1-CG 4.09Å; I21-F28 HydrophobicContact CG1-CZ 4.05Å; I21-F28 HydrophobicContact CG2-CB 4.01Å; I21-F28 HydrophobicContact CG2-CD2 4.24Å; I21-F28 HydrophobicContact CG2-CG 4.06Å; H24-F28 HydrophobicContact CB-CD2 4.15Å; H24-F28 HydrophobicContact CB-CE2 4.27Å; H24-F28 WeakPolarHBondContact O-CD2 3.47Å; H24-F28 PolarHBondContact O-N 2.98Å; F28-P32 WeakPolarHBondContact O-CD 3.46Å; F28-P32 VanDerWaalsContact O-CG 3.23Å; F28-P32 WeakPolarHBondContact O-CG 3.44Å
29A91.9Very high94Very high63 Ų6389.4 Ų89.452%0.52150%0.503SS..Hα-helixtrans-82.7-41.9170.400000112.3P25 V26 F27 V33P25-A29 VanDerWaalsContact O-CB 3.27Å; P25-A29 WeakPolarHBondContact O-CB 3.39Å; P25-A29 PolarHBondContact O-N 2.8Å; V26-A29 PolarHBondContact O-N 2.86Å; F27-A29 VanDerWaalsContact C-N 3.3Å; F27-A29 PolarHBondContact O-N 3.46Å; A29-V33 WeakPolarHBondContact O-CG2 3.43Å
30S94.8Very high94Very high49 Ų4984.2 Ų84.234%0.34349%0.489SS..Hα-helixtrans-79.5-37.4-175.665.60000113.3V26 F27 V33 L34V26-S30 WeakPolarHBondContact O-CB 3.45Å; V26-S30 PolarHBondContact O-N 3.01Å; V26-S30 PolarHBondContact O-OG 3.07Å; F27-S30 PolarHBondContact O-N 3.43Å; F27-S30 PolarHBondContact O-OG 3.01Å; S30-V33 PolarHBondContact O-N 3.42Å; S30-L34 WeakPolarHBondContact O-CG 3.49Å; S30-L34 PolarHBondContact O-N 2.88Å
31A95.1Very high94.1Very high24 Ų2482.1 Ų82.120%0.19849%0.492CS..Hα-helixtrans-61.2-47-176.400000113.4F27 V33 L34 I35F27-A31 WeakPolarHBondContact O-CB 3.27Å; F27-A31 PolarHBondContact O-N 3.35Å; A31-V33 VanDerWaalsContact C-N 3.31Å; A31-V33 PolarHBondContact O-N 3.26Å; A31-L34 PolarHBondContact O-N 3.46Å; A31-I35 WeakPolarHBondContact O-CB 3.37Å; A31-I35 WeakPolarHBondContact O-CD1 3.46Å; A31-I35 VanDerWaalsContact O-CG1 3.23Å; A31-I35 WeakPolarHBondContact O-CG1 3.5Å; A31-I35 PolarHBondContact O-N 3.13Å
32P95Very high94Very high69 Ų6983.1 Ų83.145%0.44851%0.505SS..Hα-helixtrans-61.8-38.1175.2-22.634.4000112.5F28 I35 S36F28-P32 WeakPolarHBondContact O-CD 3.46Å; F28-P32 VanDerWaalsContact O-CG 3.23Å; F28-P32 WeakPolarHBondContact O-CG 3.44Å; P32-I35 PolarHBondContact O-N 2.96Å; P32-S36 WeakPolarHBondContact O-CB 3.22Å; P32-S36 PolarHBondContact O-N 3.39Å; P32-S36 PolarHBondContact O-OG 2.95Å
33V96.2Very high94Very high84 Ų8487 Ų8751%0.50951%0.508SS..Hα-helixtrans-64.1-46.4177.9174.50000110.9A29 S30 A31 I35 S36 I37A29-V33 WeakPolarHBondContact O-CG2 3.43Å; S30-V33 PolarHBondContact O-N 3.42Å; A31-V33 VanDerWaalsContact C-N 3.31Å; A31-V33 PolarHBondContact O-N 3.26Å; V33-I35 VanDerWaalsContact C-N 3.35Å; V33-I35 PolarHBondContact O-N 3.43Å; V33-S36 PolarHBondContact O-N 2.93Å; V33-I37 HydrophobicContact CG1-CD1 3.92Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.36Å; V33-I37 PolarHBondContact O-N 3.37Å
34L96.5Very high93.8Very high103 Ų10388.7 Ų88.754%0.53952%0.52SS..Hα-helixtrans-62.2-42.8176.6-70.8173.2000111.4S30 A31 I37 L38S30-L34 WeakPolarHBondContact O-CG 3.49Å; S30-L34 PolarHBondContact O-N 2.88Å; A31-L34 PolarHBondContact O-N 3.46Å; L34-I37 PolarHBondContact O-N 3.3Å; L34-L38 WeakPolarHBondContact O-CB 3.23Å; L34-L38 VanDerWaalsContact O-CG 3.26Å; L34-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 PolarHBondContact O-N 3.35Å
35I96.2Very high93.5Very high95 Ų9594.4 Ų94.449%0.48754%0.538SS..Hα-helixtrans-62.4-44.1175.8-68.4165.8000110.6A31 P32 V33 I37 L38 L39A31-I35 WeakPolarHBondContact O-CB 3.37Å; A31-I35 WeakPolarHBondContact O-CD1 3.46Å; A31-I35 VanDerWaalsContact O-CG1 3.23Å; A31-I35 WeakPolarHBondContact O-CG1 3.5Å; A31-I35 PolarHBondContact O-N 3.13Å; P32-I35 PolarHBondContact O-N 2.96Å; V33-I35 VanDerWaalsContact C-N 3.35Å; V33-I35 PolarHBondContact O-N 3.43Å; I35-I37 VanDerWaalsContact C-N 3.34Å; I35-I37 PolarHBondContact O-N 3.48Å; I35-L38 PolarHBondContact O-N 2.94Å; I35-L39 HydrophobicContact CG2-CD1 3.81Å; I35-L39 HydrophobicContact CG2-CG 4.3Å; I35-L39 WeakPolarHBondContact O-CB 3.42Å; I35-L39 VanDerWaalsContact O-CG 3.31Å; I35-L39 WeakPolarHBondContact O-CG 3.38Å; I35-L39 PolarHBondContact O-N 3.5Å
36S96.3Very high93.5Very high81 Ų8198.3 Ų98.357%0.56654%0.544SS*.Hα-helixtrans-62-39.6176.3-670000112.4P32 V33 G40P32-S36 WeakPolarHBondContact O-CB 3.22Å; P32-S36 PolarHBondContact O-N 3.39Å; P32-S36 PolarHBondContact O-OG 2.95Å; V33-S36 PolarHBondContact O-N 2.93Å; S36-G40 WeakPolarHBondContact O-CA 3.19Å; S36-G40 PolarHBondContact O-N 3.33Å
37I96.1Very high93.3Very high108 Ų108101 Ų10155%0.55455%0.548SS*.Hα-helixtrans-66.9-43.9175.7-68.1166.4000110.6V33 L34 I35 G40 A41V33-I37 HydrophobicContact CG1-CD1 3.92Å; V33-I37 VanDerWaalsContact O-CG1 3.3Å; V33-I37 WeakPolarHBondContact O-CG1 3.36Å; V33-I37 PolarHBondContact O-N 3.37Å; L34-I37 PolarHBondContact O-N 3.3Å; I35-I37 VanDerWaalsContact C-N 3.34Å; I35-I37 PolarHBondContact O-N 3.48Å; I37-G40 PolarHBondContact O-N 2.89Å; I37-A41 WeakPolarHBondContact O-CB 3.41Å; I37-A41 PolarHBondContact O-N 3.27Å
38L95.3Very high93Very high129 Ų12999.4 Ų99.468%0.67555%0.55SS*.Hα-helixtrans-62.3-45.2178-72.9169.2000111.9L34 I35 A41L34-L38 WeakPolarHBondContact O-CB 3.23Å; L34-L38 VanDerWaalsContact O-CG 3.26Å; L34-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 PolarHBondContact O-N 3.35Å; I35-L38 PolarHBondContact O-N 2.94Å; L38-A41 PolarHBondContact O-N 2.91Å
39L94.8Very high92.7Very high115 Ų115100.7 Ų100.760%0.60256%0.556SS**Hα-helixtrans-67.7-38.2174.9-67.3174000111.4I35 S42I35-L39 HydrophobicContact CG2-CD1 3.81Å; I35-L39 HydrophobicContact CG2-CG 4.3Å; I35-L39 WeakPolarHBondContact O-CB 3.42Å; I35-L39 VanDerWaalsContact O-CG 3.31Å; I35-L39 WeakPolarHBondContact O-CG 3.38Å; I35-L39 PolarHBondContact O-N 3.5Å; L39-S42 WeakPolarHBondContact O-CB 3.46Å; L39-S42 PolarHBondContact O-N 3.24Å
40G94.8Very high92.3Very high37 Ų37105.7 Ų105.738%0.38157%0.569SS.*Hα-helixtrans-61.4-40.8175.100000112.7S36 I37 S42 F43S36-G40 WeakPolarHBondContact O-CA 3.19Å; S36-G40 PolarHBondContact O-N 3.33Å; I37-G40 PolarHBondContact O-N 2.89Å; G40-S42 PolarHBondContact O-N 3.01Å; G40-F43 WeakPolarHBondContact O-CB 3.5Å; G40-F43 PolarHBondContact O-N 3.41Å
41A94.2Very high91.6Very high65 Ų65105.7 Ų105.754%0.53757%0.569SS.*Hα-helixtrans-60.9-28.3176.800000112.5I37 L38 F43 S44I37-A41 WeakPolarHBondContact O-CB 3.41Å; I37-A41 PolarHBondContact O-N 3.27Å; L38-A41 PolarHBondContact O-N 2.91Å; A41-F43 PolarHBondContact O-N 3.28Å; A41-S44 VanDerWaalsContact O-CB 3.23Å; A41-S44 WeakPolarHBondContact O-CB 3.17Å; A41-S44 PolarHBondContact O-N 3.3Å
42S91.6Very high91Very high87 Ų87109.3 Ų109.361%0.60859%0.588SS**Hα-helixtrans-60.1-30.9174.5-163.30000112.7L39 G40 S44 R45L39-S42 WeakPolarHBondContact O-CB 3.46Å; L39-S42 PolarHBondContact O-N 3.24Å; G40-S42 PolarHBondContact O-N 3.01Å; S42-S44 PolarHBondContact O-N 3.32Å; S42-S44 VanDerWaalsContact O-N 3.11Å; S42-R45 PolarHBondContact O-N 3.32Å; S42-R45 VanDerWaalsContact O-N 3.09Å
43F90.5Very high90.3Very high153 Ų153109.9 Ų109.967%0.67159%0.585SS**G310 helixtrans-63.9-16.5176.2-75.4-89.9000113.4G40 A41 R45 Y46G40-F43 WeakPolarHBondContact O-CB 3.5Å; G40-F43 PolarHBondContact O-N 3.41Å; A41-F43 PolarHBondContact O-N 3.28Å; F43-R45 PolarHBondContact O-N 3.32Å; F43-R45 VanDerWaalsContact O-N 3.14Å; F43-Y46 VanDerWaalsContact O-CB 3.23Å; F43-Y46 WeakPolarHBondContact O-CB 3.48Å; F43-Y46 PolarHBondContact O-N 3.36Å
44S89.3Confident89.7Confident101 Ų101109.5 Ų109.571%0.70658%0.578SS**G310 helixtrans-61.3-20.5172.8-178.80000113.3A41 S42A41-S44 VanDerWaalsContact O-CB 3.23Å; A41-S44 WeakPolarHBondContact O-CB 3.17Å; A41-S44 PolarHBondContact O-N 3.3Å; S42-S44 PolarHBondContact O-N 3.32Å; S42-S44 VanDerWaalsContact O-N 3.11Å
45R88.3Confident89.3Confident218 Ų218110 Ų11082%0.82358%0.58SS**G310 helixtrans-103.56.8177.7-61-62.5-176.8177-1.1113S42 F43 Q47S42-R45 PolarHBondContact O-N 3.32Å; S42-R45 VanDerWaalsContact O-N 3.09Å; F43-R45 PolarHBondContact O-N 3.32Å; F43-R45 VanDerWaalsContact O-N 3.14Å; R45-Q47 PolarHBondContact O-N 3.28Å
46Y89.1Confident88.9Confident162 Ų162112.2 Ų112.264%0.63559%0.592SS**  trans-65.9124.2179.1-178.1-105.6000110.5F43 V48F43-Y46 VanDerWaalsContact O-CB 3.23Å; F43-Y46 WeakPolarHBondContact O-CB 3.48Å; F43-Y46 PolarHBondContact O-N 3.36Å; Y46-V48 HydrophobicContact CD1-CG2 4.29Å; Y46-V48 HydrophobicContact CE1-CG2 3.77Å
47Q88.6Confident88.4Confident174 Ų174110.1 Ų110.181%0.81358%0.58SS**  trans-108.1132.5173-68.5-173.5-14.900108.9R45R45-Q47 PolarHBondContact O-N 3.28Å
48V85.8Confident88Confident103 Ų103109.2 Ų109.262%0.62458%0.581SS**  trans-82.5122.1175.6-178.60000108.2Y46 E50Y46-V48 HydrophobicContact CD1-CG2 4.29Å; Y46-V48 HydrophobicContact CE1-CG2 3.77Å; V48-E50 HydrophobicContact CG1-CG 4.37Å; V48-E50 PolarHBondContact O-N 3Å
49E86.9Confident87.5Confident94 Ų94108.5 Ų108.544%0.43957%0.574SS.*  trans-78.4110.7172.4-173.359.9-130.600109S51 H54 L55E49-S51 VanDerWaalsContact OE1-CB 3.27Å; E49-S51 WeakPolarHBondContact OE1-CB 3.42Å; E49-S51 PolarHBondContact OE1-N 3.13Å; E49-S51 PolarHBondContact OE1-OG 3.37Å; E49-H54 HydrophobicContact CG-CB 4.09Å; E49-L55 HydrophobicContact CB-CD2 4.41Å; E49-L55 HydrophobicContact CG-CD2 4.4Å
50E83.8Confident87.3Confident169 Ų169110.6 Ų110.679%0.7958%0.58SS**  trans-96.1-6.5179.9-64.6-175.5171.200112.9V48 V52V48-E50 HydrophobicContact CG1-CG 4.37Å; V48-E50 PolarHBondContact O-N 3Å; E50-V52 PolarHBondContact O-N 3.25Å
51S80.1Confident87Confident49 Ų49110.2 Ų110.234%0.34357%0.572SS.*  trans-77.5111.9-175.374.70000111.2E49 E53 H54 L55E49-S51 VanDerWaalsContact OE1-CB 3.27Å; E49-S51 WeakPolarHBondContact OE1-CB 3.42Å; E49-S51 PolarHBondContact OE1-N 3.13Å; E49-S51 PolarHBondContact OE1-OG 3.37Å; S51-E53 PolarHBondContact O-N 3.14Å; S51-H54 PolarHBondContact O-N 2.95Å; S51-H54 WeakPolarHBondContact OG-CB 3.42Å; S51-L55 WeakPolarHBondContact O-CG 3.36Å; S51-L55 PolarHBondContact O-N 3.21Å; S51-L55 VanDerWaalsContact O-N 3.08Å
52V82.3Confident86.9Confident99 Ų99112.8 Ų112.860%0.658%0.576SS**Hα-helixtrans-54.8-38.8179.1179.60000111.6E50 H54 L55 L56E50-V52 PolarHBondContact O-N 3.25Å; V52-H54 PolarHBondContact O-N 3.09Å; V52-L55 PolarHBondContact O-N 3.06Å; V52-L56 HydrophobicContact CG1-CD1 3.5Å; V52-L56 VanDerWaalsContact CG1-CD1 3.5Å; V52-L56 HydrophobicContact CG1-CG 4.16Å; V52-L56 WeakPolarHBondContact O-CB 3.42Å; V52-L56 WeakPolarHBondContact O-CG 3.02Å; V52-L56 PolarHBondContact O-N 2.85Å
53E80.6Confident86.7Confident82 Ų82111.8 Ų111.838%0.38357%0.573SS.*Hα-helixtrans-62.7-40.1177.3-171.1-175.9152.900111.9S51 A57 K64 P90S51-E53 PolarHBondContact O-N 3.14Å; E53-A57 HydrophobicContact CG-CB 4.44Å; E53-A57 WeakPolarHBondContact O-CA 3.49Å; E53-A57 WeakPolarHBondContact O-CB 3.41Å; E53-A57 PolarHBondContact O-N 3.44Å; E53-K64 IonicContact OE1-NZ 3.84Å; E53-P90 WeakPolarHBondContact OE2-CG 3.19Å
54H83.8Confident86.5Confident76 Ų76106.9 Ų106.935%0.35255%0.552SS.*Hα-helixtrans-72.2-35.8179-168.3102.3000112.4E49 S51 V52 Q59E49-H54 HydrophobicContact CG-CB 4.09Å; S51-H54 PolarHBondContact O-N 2.95Å; S51-H54 WeakPolarHBondContact OG-CB 3.42Å; V52-H54 PolarHBondContact O-N 3.09Å; H54-Q59 PolarHBondContact CE1-NE2 3.13Å; H54-Q59 PolarHBondContact NE2-NE2 3Å
55L86.9Confident86.6Confident112 Ų112106.5 Ų106.559%0.58654%0.541SS*.Hα-helixtrans-74.3-33.8-179.2-66.7173.5000113E49 S51 V52E49-L55 HydrophobicContact CB-CD2 4.41Å; E49-L55 HydrophobicContact CG-CD2 4.4Å; S51-L55 WeakPolarHBondContact O-CG 3.36Å; S51-L55 PolarHBondContact O-N 3.21Å; S51-L55 VanDerWaalsContact O-N 3.08Å; V52-L55 PolarHBondContact O-N 3.06Å
56L87.3Confident86.7Confident143 Ų143101.1 Ų101.175%0.74953%0.525SS*.Hα-helixtrans-105.9-22.9-172-60.9-177.8000114.2V52V52-L56 HydrophobicContact CG1-CD1 3.5Å; V52-L56 VanDerWaalsContact CG1-CD1 3.5Å; V52-L56 HydrophobicContact CG1-CG 4.16Å; V52-L56 WeakPolarHBondContact O-CB 3.42Å; V52-L56 WeakPolarHBondContact O-CG 3.02Å; V52-L56 PolarHBondContact O-N 2.85Å
57A86.9Confident86.5Confident36 Ų3696.9 Ų96.930%0.29851%0.508SS..SBendtrans-107.3138.9-179.900000111.5E53 Q59E53-A57 HydrophobicContact CG-CB 4.44Å; E53-A57 WeakPolarHBondContact O-CA 3.49Å; E53-A57 WeakPolarHBondContact O-CB 3.41Å; E53-A57 PolarHBondContact O-N 3.44Å; A57-Q59 PolarHBondContact O-N 3.17Å
58P88Confident86.5Confident89 Ų8993 Ų9358%0.57849%0.492SS*.  trans-63.1139.6175.77.5-5.7000111.2H60 S61P58-H60 PolarHBondContact O-N 2.97Å; P58-S61 PolarHBondContact O-N 2.99Å
59Q84.3Confident86.8Confident115 Ų11592.8 Ų92.854%0.53749%0.487SS..THydrogen-bonded Turntrans-57.8-34-177-68.6-176.1-4.400113H54 A57H54-Q59 PolarHBondContact CE1-NE2 3.13Å; H54-Q59 PolarHBondContact NE2-NE2 3Å; A57-Q59 PolarHBondContact O-N 3.17Å
60H90.3Very high86.8Confident158 Ų15891.6 Ų91.673%0.73149%0.486SS*.THydrogen-bonded Turntrans-119.549.1-178.1-59.1-63.2000112.5P58P58-H60 PolarHBondContact O-N 2.97Å
61S89.4Confident86.8Confident29 Ų2986.5 Ų86.520%0.20346%0.464CS..  trans-74.7148.1171.7620000111.8P58 A63 K64 I65P58-S61 PolarHBondContact O-N 2.99Å; S61-A63 VanDerWaalsContact C-N 3.26Å; S61-A63 PolarHBondContact O-N 3.36Å; S61-K64 PolarHBondContact O-N 3.27Å; S61-K64 VanDerWaalsContact OG-CB 3.23Å; S61-K64 WeakPolarHBondContact OG-CB 3.45Å; S61-K64 PolarHBondContact OG-N 2.97Å; S61-I65 WeakPolarHBondContact O-CG1 3.35Å; S61-I65 PolarHBondContact O-N 3.17Å
62L91.9Very high87.2Confident120 Ų12088.7 Ų88.763%0.62848%0.48SS*.Hα-helixtrans-53.1-46.3174-178.967.9000110.9K64 I65 E66L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 2.82Å; L62-I65 PolarHBondContact O-N 3.18Å; L62-I65 VanDerWaalsContact O-N 3.09Å; L62-E66 HydrophobicContact CD1-CG 4.31Å; L62-E66 HydrophobicContact CG-CG 4.31Å; L62-E66 WeakPolarHBondContact O-CG 3.5Å; L62-E66 PolarHBondContact O-N 3.4Å
63A86.5Confident87.7Confident66 Ų6689.1 Ų89.155%0.54548%0.478SS..Hα-helixtrans-58-37.6177.400000112.9S61 R67S61-A63 VanDerWaalsContact C-N 3.26Å; S61-A63 PolarHBondContact O-N 3.36Å; A63-R67 WeakPolarHBondContact O-CB 3.04Å; A63-R67 PolarHBondContact O-N 3Å
64K86.6Confident87.8Confident50 Ų5092.1 Ų92.122%0.21749%0.49CS..Hα-helixtrans-73.3-35.5176.9-168.9163.2-176.6167.80112E53 S61 L62 N68E53-K64 IonicContact OE1-NZ 3.84Å; S61-K64 PolarHBondContact O-N 3.27Å; S61-K64 VanDerWaalsContact OG-CB 3.23Å; S61-K64 WeakPolarHBondContact OG-CB 3.45Å; S61-K64 PolarHBondContact OG-N 2.97Å; L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 2.82Å; K64-N68 VanDerWaalsContact O-CB 3.3Å; K64-N68 WeakPolarHBondContact O-CB 3.41Å; K64-N68 PolarHBondContact O-N 3Å; K64-N68 PolarHBondContact O-ND2 3.09Å; K64-N68 PolarHBondContact O-OD1 2.97Å
65I90.9Very high87.4Confident93 Ų9393.3 Ų93.348%0.47751%0.505SS..Hα-helixtrans-66.9-49.6175-65.1166.5000110.5S61 L62 R67 N68 L69S61-I65 WeakPolarHBondContact O-CG1 3.35Å; S61-I65 PolarHBondContact O-N 3.17Å; L62-I65 PolarHBondContact O-N 3.18Å; L62-I65 VanDerWaalsContact O-N 3.09Å; I65-R67 VanDerWaalsContact C-N 3.35Å; I65-R67 PolarHBondContact O-N 2.97Å; I65-N68 PolarHBondContact O-N 2.92Å; I65-L69 WeakPolarHBondContact O-CB 3.4Å; I65-L69 PolarHBondContact O-N 3.44Å
66E91Very high86.4Confident105 Ų10591 Ų9149%0.49150%0.495SS..Hα-helixtrans-59.4-46.4176.8-72.3176.4168.700111.2L62 N68 L69 V70L62-E66 HydrophobicContact CD1-CG 4.31Å; L62-E66 HydrophobicContact CG-CG 4.31Å; L62-E66 WeakPolarHBondContact O-CG 3.5Å; L62-E66 PolarHBondContact O-N 3.4Å; E66-N68 VanDerWaalsContact C-N 3.34Å; E66-N68 PolarHBondContact O-N 3.43Å; E66-L69 WeakPolarHBondContact O-CB 3.46Å; E66-L69 PolarHBondContact O-N 3.45Å; E66-V70 WeakPolarHBondContact O-CG2 3.09Å; E66-V70 PolarHBondContact O-N 3.2Å
67R85.6Confident85.3Confident73 Ų7387.9 Ų87.928%0.27548%0.479SS..Hα-helixtrans-58.2-44174.2177.4-172.617679.126112.3A63 I65 L69 V70 N71 Q88 T89 P90A63-R67 WeakPolarHBondContact O-CB 3.04Å; A63-R67 PolarHBondContact O-N 3Å; I65-R67 VanDerWaalsContact C-N 3.35Å; I65-R67 PolarHBondContact O-N 2.97Å; R67-L69 VanDerWaalsContact C-N 3.35Å; R67-V70 PolarHBondContact O-N 3.15Å; R67-N71 WeakPolarHBondContact O-CB 3.44Å; R67-N71 PolarHBondContact O-N 2.03Å; R67-N71 PolarHBondContact O-ND2 3.35Å; R67-Q88 PolarHBondContact NH1-O 3.47Å; R67-T89 VanDerWaalsContact NH2-CA 3.29Å; R67-T89 VanDerWaalsContact NH2-CG2 3.3Å; R67-P90 VanDerWaalsContact NH2-CD 3.25Å
68N87.5Confident84Confident91 Ų9193.6 Ų93.649%0.48749%0.493SS..Hα-helixtrans-65.4-39.7177.2-74.4-14.5000111.6K64 I65 E66 N71 S72K64-N68 VanDerWaalsContact O-CB 3.3Å; K64-N68 WeakPolarHBondContact O-CB 3.41Å; K64-N68 PolarHBondContact O-N 3Å; K64-N68 PolarHBondContact O-ND2 3.09Å; K64-N68 PolarHBondContact O-OD1 2.97Å; I65-N68 PolarHBondContact O-N 2.92Å; E66-N68 VanDerWaalsContact C-N 3.34Å; E66-N68 PolarHBondContact O-N 3.43Å; N68-N71 PolarHBondContact O-N 2.84Å; N68-S72 WeakPolarHBondContact O-CB 3.49Å; N68-S72 PolarHBondContact O-N 3.48Å
69L91.9Very high82.5Confident100 Ų10091 Ų9152%0.52448%0.477SS..Hα-helixtrans-63.6-48.2175.3-178.863.6000111.1I65 E66 R67 N71 S72 L73I65-L69 WeakPolarHBondContact O-CB 3.4Å; I65-L69 PolarHBondContact O-N 3.44Å; E66-L69 WeakPolarHBondContact O-CB 3.46Å; E66-L69 PolarHBondContact O-N 3.45Å; R67-L69 VanDerWaalsContact C-N 3.35Å; L69-N71 PolarHBondContact O-N 2.94Å; L69-S72 WeakPolarHBondContact O-CB 3.5Å; L69-S72 PolarHBondContact O-N 3.11Å; L69-S72 VanDerWaalsContact O-N 3.14Å; L69-L73 HydrophobicContact CD1-CD1 3.83Å; L69-L73 HydrophobicContact CD1-CG 4.04Å; L69-L73 HydrophobicContact CD2-CD1 4.45Å; L69-L73 HydrophobicContact CG-CD1 3.8Å; L69-L73 HydrophobicContact CG-CG 4.35Å; L69-L73 WeakPolarHBondContact O-CB 3.34Å; L69-L73 WeakPolarHBondContact O-CG 3.32Å; L69-L73 PolarHBondContact O-N 2.95Å
70V88.1Confident81Confident69 Ų6991.4 Ų91.442%0.41848%0.477SS..Hα-helixtrans-60.1-45.6176.5171.40000110.9E66 R67 S72 L73 F74E66-V70 WeakPolarHBondContact O-CG2 3.09Å; E66-V70 PolarHBondContact O-N 3.2Å; R67-V70 PolarHBondContact O-N 3.15Å; V70-S72 PolarHBondContact O-N 3.41Å; V70-L73 PolarHBondContact O-N 3.49Å; V70-F74 HydrophobicContact CG1-CD2 4.47Å; V70-F74 CarbonylContact O-C 3.26Å; V70-F74 WeakPolarHBondContact O-CA 3.49Å; V70-F74 WeakPolarHBondContact O-CB 3.46Å; V70-F74 PolarHBondContact O-N 3.26Å
71N83.4Confident79.3Confident61 Ų6188.1 Ų88.133%0.32646%0.462SS..Hα-helixtrans-62.4-30.3177.1-72.6-31.8000112.9R67 N68 L69 P75R67-N71 WeakPolarHBondContact O-CB 3.44Å; R67-N71 PolarHBondContact O-N 2.03Å; R67-N71 PolarHBondContact O-ND2 3.35Å; N68-N71 PolarHBondContact O-N 2.84Å; L69-N71 PolarHBondContact O-N 2.94Å; N71-P75 WeakPolarHBondContact O-CA 3.35Å
72S89Confident77.7Confident95 Ų9593.9 Ų93.966%0.66448%0.479SS*.Hα-helixtrans-78.3-45.4177.6-175.10000112.1N68 L69 V70N68-S72 WeakPolarHBondContact O-CB 3.49Å; N68-S72 PolarHBondContact O-N 3.48Å; L69-S72 WeakPolarHBondContact O-CB 3.5Å; L69-S72 PolarHBondContact O-N 3.11Å; L69-S72 VanDerWaalsContact O-N 3.14Å; V70-S72 PolarHBondContact O-N 3.41Å
73L91.6Very high75.8Confident109 Ų10992.3 Ų92.357%0.57147%0.471SS*.Hα-helixtrans-72.9-36.4-179.5-68.6175.5000112.4L69 V70 P75L69-L73 HydrophobicContact CD1-CD1 3.83Å; L69-L73 HydrophobicContact CD1-CG 4.04Å; L69-L73 HydrophobicContact CD2-CD1 4.45Å; L69-L73 HydrophobicContact CG-CD1 3.8Å; L69-L73 HydrophobicContact CG-CG 4.35Å; L69-L73 WeakPolarHBondContact O-CB 3.34Å; L69-L73 WeakPolarHBondContact O-CG 3.32Å; L69-L73 PolarHBondContact O-N 2.95Å; V70-L73 PolarHBondContact O-N 3.49Å; L73-P75 WeakPolarHBondContact O-CD 3.4Å
74F83.8Confident74.2Confident145 Ų14593.1 Ų93.164%0.63646%0.46SS*.SBendtrans-126.475-178.2-55.6-76.5000108.8V70 V76V70-F74 HydrophobicContact CG1-CD2 4.47Å; V70-F74 CarbonylContact O-C 3.26Å; V70-F74 WeakPolarHBondContact O-CA 3.49Å; V70-F74 WeakPolarHBondContact O-CB 3.46Å; V70-F74 PolarHBondContact O-N 3.26Å; F74-V76 PolarHBondContact O-N 3.18Å
75P73.6Confident72.6Confident101 Ų10195.4 Ų95.466%0.65648%0.482SS*.  trans-61.5107.1178.724.8-32.8000109.2N71 L73 N77N71-P75 WeakPolarHBondContact O-CA 3.35Å; L73-P75 WeakPolarHBondContact O-CD 3.4Å; P75-N77 PolarHBondContact O-N 3.47Å
76V66.9Low70.8Confident64 Ų6494.9 Ų94.939%0.38848%0.48SS..  trans-69.2106.2179.2-174.30000107.4F74 R78 H81F74-V76 PolarHBondContact O-N 3.18Å; V76-R78 PolarHBondContact O-N 3.15Å; V76-H81 HydrophobicContact CG1-CB 3.85Å; V76-H81 VanDerWaalsContact CG1-CG 3.47Å; V76-H81 WeakPolarHBondContact CG1-ND1 3Å
77N63.7Low69.1Low76 Ų7693.3 Ų93.341%0.40648%0.475SS..  trans-68.3102.5168.9-169.7-12.3000107.7P75 S79 K80 H81P75-N77 PolarHBondContact O-N 3.47Å; N77-S79 PolarHBondContact O-N 2.88Å; N77-S79 VanDerWaalsContact O-N 3.12Å; N77-S79 PolarHBondContact OD1-N 3Å; N77-S79 PolarHBondContact OD1-OG 3.08Å; N77-K80 HydrophobicContact CB-CB 4.19Å; N77-K80 HydrophobicContact CB-CD 4.44Å; N77-K80 HydrophobicContact CB-CG 4.3Å; N77-K80 PolarHBondContact O-N 3.21Å; N77-H81 PolarHBondContact O-N 2.99Å; N77-H81 VanDerWaalsContact O-N 3.15Å; N77-H81 PolarHBondContact O-ND1 2.85Å
78R59.8Low67.6Low157 Ų15797.4 Ų97.459%0.59250%0.498SS*.THydrogen-bonded Turntrans-61.9-19.1-174.8-64-166-177178.92.1113V76 I141V76-R78 PolarHBondContact O-N 3.15Å; R78-I141 WeakPolarHBondContact O-CG2 3.31Å
79S55.9Low66Low35 Ų3594.3 Ų94.325%0.24548%0.482CS..THydrogen-bonded Turntrans-81.7-17.7172.463.70000113.9N77 L142N77-S79 PolarHBondContact O-N 2.88Å; N77-S79 VanDerWaalsContact O-N 3.12Å; N77-S79 PolarHBondContact OD1-N 3Å; N77-S79 PolarHBondContact OD1-OG 3.08Å; S79-L142 WeakPolarHBondContact CB-O 3.45Å
80K53.6Low64.2Low122 Ų12293.6 Ų93.653%0.5348%0.483SS..THydrogen-bonded Turntrans-105.5-19.6-176.6-66.6-170.7179-175.20114.6N77 R82N77-K80 HydrophobicContact CB-CB 4.19Å; N77-K80 HydrophobicContact CB-CD 4.44Å; N77-K80 HydrophobicContact CB-CG 4.3Å; N77-K80 PolarHBondContact O-N 3.21Å; K80-R82 PolarHBondContact O-N 2.99Å
81H54.5Low62.7Low90 Ų9092.4 Ų92.442%0.41749%0.485SS..  trans-91.5105.3177.4-67.576.3000108.7V76 N77V76-H81 HydrophobicContact CG1-CB 3.85Å; V76-H81 VanDerWaalsContact CG1-CG 3.47Å; V76-H81 WeakPolarHBondContact CG1-ND1 3Å; N77-H81 PolarHBondContact O-N 2.99Å; N77-H81 VanDerWaalsContact O-N 3.15Å; N77-H81 PolarHBondContact O-ND1 2.85Å
82R54.9Low61.9Low149 Ų149102 Ų10256%0.56252%0.517SS*.  trans-90.9-18.4-157.9-69169.4175.7168-5114K80K80-R82 PolarHBondContact O-N 2.99Å
83L54Low61.1Low87 Ų87103.5 Ų103.546%0.45551%0.508SS..  trans-98.4136-171.3-78.1149000112S85 D86L83-S85 PolarHBondContact O-N 3.39Å; L83-D86 HydrophobicContact CB-CB 4.34Å; L83-D86 WeakPolarHBondContact O-CB 3.27Å; L83-D86 PolarHBondContact O-N 2.78Å
84Y52.7Low60.4Low84 Ų84102 Ų10233%0.32952%0.52SS..G310 helixtrans-51.7-34.1167.7175.6-93.1000112.5D86 L87 Y93 R95Y84-D86 VanDerWaalsContact C-N 3.3Å; Y84-D86 PolarHBondContact O-N 2.82Å; Y84-L87 PolarHBondContact O-N 3.31Å; Y84-Y93 HydrophobicContact CD2-CD2 4.48Å; Y84-Y93 AromaticContact CE2-CD2 3.48Å; Y84-Y93 HydrophobicContact CE2-CD2 3.48Å; Y84-Y93 VanDerWaalsContact CE2-CD2 3.48Å; Y84-Y93 AromaticContact CE2-CE2 3.46Å; Y84-Y93 HydrophobicContact CE2-CE2 3.46Å; Y84-Y93 VanDerWaalsContact CE2-CE2 3.46Å; Y84-Y93 HydrophobicContact CE2-CG 4.09Å; Y84-Y93 AromaticContact CZ-CE2 3.66Å; Y84-Y93 WeakPolarHBondContact OH-CE2 3.05Å; Y84-Y93 VanDerWaalsContact OH-CZ 3.29Å; Y84-Y93 PolarHBondContact OH-OH 3.01Å; Y84-R95 WeakPolarHBondContact OH-CD 3.23Å
85S52.7Low60.3Low97 Ų97102.6 Ų102.668%0.67852%0.517SS*.G310 helixtrans-70.2-22.2177-51.80000114.1L83L83-S85 PolarHBondContact O-N 3.39Å
86D52.7Low60.9Low82 Ų82102.4 Ų102.444%0.43951%0.514SS..G310 helixtrans-90.5-9.7-179.3-67.2-16000112.3L83 Y84 Q88L83-D86 HydrophobicContact CB-CB 4.34Å; L83-D86 WeakPolarHBondContact O-CB 3.27Å; L83-D86 PolarHBondContact O-N 2.78Å; Y84-D86 VanDerWaalsContact C-N 3.3Å; Y84-D86 PolarHBondContact O-N 2.82Å; D86-Q88 PolarHBondContact O-N 3.37Å
87L56.2Low61.9Low72 Ų72104.9 Ų104.938%0.37752%0.524SS..  trans-75.669.7171.3-77.8149.3000109.6Y84 T89Y84-L87 PolarHBondContact O-N 3.31Å; L87-T89 PolarHBondContact O-N 3.12Å
88Q52.1Low63Low160 Ų160104 Ų10475%0.74852%0.521SS*.  trans-65.77167.7-72.1-174.1-16.800113R67 D86R67-Q88 PolarHBondContact NH1-O 3.47Å; D86-Q88 PolarHBondContact O-N 3.37Å
89T54.2Low64.4Low26 Ų26101.7 Ų101.716%0.1653%0.525CS..SBendtrans-96.9123.8-178.256.50000111.2R67 L87 G91R67-T89 VanDerWaalsContact NH2-CA 3.29Å; R67-T89 VanDerWaalsContact NH2-CG2 3.3Å; L87-T89 PolarHBondContact O-N 3.12Å; T89-G91 PolarHBondContact O-N 2.94Å
90P54.1Low65.8Low85 Ų85101.5 Ų101.555%0.55252%0.524SS*.  trans-56.8115.7163.426-27.7000106.1E53 R67E53-P90 WeakPolarHBondContact OE2-CG 3.19Å; R67-P90 VanDerWaalsContact NH2-CD 3.25Å
91G57.4Low67Low44 Ų44105.7 Ų105.745%0.45454%0.542SS..  trans-158.9161.2-16500000110.3T89 Y93T89-G91 PolarHBondContact O-N 2.94Å; G91-Y93 WeakPolarHBondContact O-CD1 3.49Å; G91-Y93 PolarHBondContact O-N 3.03Å; G91-Y93 VanDerWaalsContact O-N 3.09Å
92R66.5Low68.2Low263 Ų263109.8 Ų109.899%0.99256%0.562SS**  trans-81.687-178.4-62.5178.9-179.1179.4-1.3109.1
93Y71.7Confident69.1Low125 Ų125109.5 Ų109.549%0.4957%0.565SS.*  trans-114.3150.3167.867.2-96.4000110Y84 G91 R95Y84-Y93 HydrophobicContact CD2-CD2 4.48Å; Y84-Y93 AromaticContact CE2-CD2 3.48Å; Y84-Y93 HydrophobicContact CE2-CD2 3.48Å; Y84-Y93 VanDerWaalsContact CE2-CD2 3.48Å; Y84-Y93 AromaticContact CE2-CE2 3.46Å; Y84-Y93 HydrophobicContact CE2-CE2 3.46Å; Y84-Y93 VanDerWaalsContact CE2-CE2 3.46Å; Y84-Y93 HydrophobicContact CE2-CG 4.09Å; Y84-Y93 AromaticContact CZ-CE2 3.66Å; Y84-Y93 WeakPolarHBondContact OH-CE2 3.05Å; Y84-Y93 VanDerWaalsContact OH-CZ 3.29Å; Y84-Y93 PolarHBondContact OH-OH 3.01Å; G91-Y93 WeakPolarHBondContact O-CD1 3.49Å; G91-Y93 PolarHBondContact O-N 3.03Å; G91-Y93 VanDerWaalsContact O-N 3.09Å; Y93-R95 HydrophobicContact CD2-CB 4.24Å; Y93-R95 HydrophobicContact CE2-CB 4.03Å
94G76.9Confident70.4Confident78 Ų78106.8 Ų106.880%0.80455%0.554SS**  trans-99.3130.1168.800000109.4
95R81.1Confident72Confident157 Ų157104.8 Ų104.859%0.59255%0.549SS*.  trans-120.5130.5171.5179.8174.963.7179.31.5109.6Y84 Y93 I97Y84-R95 WeakPolarHBondContact OH-CD 3.23Å; Y93-R95 HydrophobicContact CD2-CB 4.24Å; Y93-R95 HydrophobicContact CE2-CB 4.03Å; R95-I97 HydrophobicContact CG-CG1 4.25Å
96V86.4Confident73.7Confident97 Ų97101.1 Ų101.159%0.58852%0.522SS*.  trans-112124.9173.5-179.10000108V98 L118V96-V98 HydrophobicContact CG1-CG2 4.13Å; V96-L118 HydrophobicContact CG1-CD2 3.97Å
97I87.9Confident75.4Confident117 Ų11798.6 Ų98.660%0.651%0.508SS*.  trans-106.6119.1175.3-57.2176.7000106.8R95 T99R95-I97 HydrophobicContact CG-CG1 4.25Å; I97-T99 HydrophobicContact CG2-CG2 4.05Å
98V88.1Confident76.9Confident57 Ų5797.4 Ų97.435%0.34550%0.502SS..  trans-101.9125179-175.70000108.9V96 I115 L118V96-V98 HydrophobicContact CG1-CG2 4.13Å; V98-I115 HydrophobicContact CG1-CG1 4.14Å; V98-L118 HydrophobicContact CG2-CD2 3.95Å
99T88.1Confident78.6Confident108 Ų10895.9 Ų95.966%0.66350%0.495SS*.  trans-129.4156.4-179.862.60000110.9I97I97-T99 HydrophobicContact CG2-CG2 4.05Å
100S85.3Confident80.3Confident32 Ų32102.3 Ų102.322%0.22452%0.517CS..  trans-119.5129.2-176.2173.40000107.5Q102 A104S100-Q102 PolarHBondContact O-N 2.55Å; S100-A104 WeakPolarHBondContact OG-CB 3.23Å; S100-A104 PolarHBondContact OG-N 3.47Å
101F79.3Confident82.1Confident209 Ų20999.9 Ų99.992%0.91750%0.499SS*.THydrogen-bonded Turntrans-63.9-31.2-177.8-66.9-78.2000112.7
102Q79.1Confident83.7Confident176 Ų17697.9 Ų97.982%0.82248%0.478SS*.THydrogen-bonded Turntrans-102.819-173.2-63.1-175.410.400113.6S100 A104S100-Q102 PolarHBondContact O-N 2.55Å; Q102-A104 PolarHBondContact O-N 3.06Å
103K73.9Confident84.9Confident144 Ų14487.8 Ų87.863%0.62644%0.444SS*.  trans52.937.2-175.3-50.8-176-171.4172.80111.9P180K103-P180 HydrophobicContact CB-CG 4.23Å; K103-P180 HydrophobicContact CD-CB 3.65Å; K103-P180 HydrophobicContact CD-CG 3.26Å; K103-P180 HydrophobicContact CG-CG 4.38Å; K103-P180 VanDerWaalsContact NZ-CB 3.25Å
104A81.8Confident85.9Confident29 Ų2985.8 Ų85.824%0.2444%0.441CS..  trans-72.1159.3179.600000111.5S100 Q102 M106 H111S100-A104 WeakPolarHBondContact OG-CB 3.23Å; S100-A104 PolarHBondContact OG-N 3.47Å; Q102-A104 PolarHBondContact O-N 3.06Å; A104-M106 PolarHBondContact O-N 3.4Å; A104-M106 VanDerWaalsContact O-N 3.16Å; A104-H111 VanDerWaalsContact CB-CE1 3.47Å; A104-H111 WeakPolarHBondContact CB-CE1 3.37Å
105N86.6Confident86.7Confident42 Ų4283.7 Ų83.723%0.22541%0.411CS..  trans-68.9110.6175.1179.715.1000110.2L107 D108 H111 I173 T174 Y175N105-L107 PolarHBondContact O-N 2.88Å; N105-L107 PolarHBondContact OD1-N 3.27Å; N105-D108 HydrophobicContact CB-CB 4.21Å; N105-D108 WeakPolarHBondContact O-CB 3.48Å; N105-D108 PolarHBondContact O-N 3.04Å; N105-D108 VanDerWaalsContact O-N 3.09Å; N105-H111 PolarHBondContact O-ND1 2.91Å; N105-I173 PolarHBondContact ND2-O 3.49Å; N105-T174 WeakPolarHBondContact OD1-CA 3.38Å; N105-Y175 CarbonylContact C-O 3.59Å; N105-Y175 WeakPolarHBondContact CA-O 3.34Å; N105-Y175 PolarHBondContact OD1-N 2.98Å; N105-Y175 PolarHBondContact OD1-O 3.27Å
106M88.3Confident87.4Confident21 Ų2177.1 Ų77.110%0.10339%0.387CS..THydrogen-bonded Turntrans-66.1-21.9178.8-69.1-59-166.800114.3A104 D108 H111 Y175A104-M106 PolarHBondContact O-N 3.4Å; A104-M106 VanDerWaalsContact O-N 3.16Å; M106-D108 VanDerWaalsContact C-N 3.34Å; M106-H111 WeakPolarHBondContact O-CB 3.5Å; M106-H111 HydrophobicContact SD-CB 4.49Å; M106-Y175 HydrophobicContact CB-CD1 4.02Å; M106-Y175 HydrophobicContact CG-CD1 4.14Å; M106-Y175 PolarHBondContact N-O 3.19Å
107L88.8Confident87.8Confident29 Ų2980.4 Ų80.415%0.15239%0.394CS..THydrogen-bonded Turntrans-933.3179-59.7177.2000111.6N105 T112 L157 R164 I173N105-L107 PolarHBondContact O-N 2.88Å; N105-L107 PolarHBondContact OD1-N 3.27Å; L107-T112 PolarHBondContact O-OG1 3.48Å; L107-L157 HydrophobicContact CD2-CD2 3.69Å; L107-R164 VanDerWaalsContact O-CZ 3.27Å; L107-R164 PolarHBondContact O-NH1 3.05Å; L107-R164 PolarHBondContact O-NH2 3.35Å; L107-I173 HydrophobicContact CD1-CG2 3.55Å
108D88.2Confident88.1Confident47 Ų4778.1 Ų78.125%0.25138%0.382SS..SBendtrans-64.1168.5171.977.620.3000111.4N105 M106 Y110 H111 T112 R164N105-D108 HydrophobicContact CB-CB 4.21Å; N105-D108 WeakPolarHBondContact O-CB 3.48Å; N105-D108 PolarHBondContact O-N 3.04Å; N105-D108 VanDerWaalsContact O-N 3.09Å; M106-D108 VanDerWaalsContact C-N 3.34Å; D108-Y110 VanDerWaalsContact C-N 3.34Å; D108-Y110 PolarHBondContact O-N 3.06Å; D108-Y110 PolarHBondContact OD1-N 3.23Å; D108-Y110 VanDerWaalsContact OD1-N 3.07Å; D108-H111 WeakPolarHBondContact OD1-CB 3.36Å; D108-H111 IonicContact OD1-CE1 2.71Å; D108-H111 IonicContact OD1-CG 3.75Å; D108-H111 PolarHBondContact OD1-N 3.46Å; D108-H111 IonicContact OD1-ND1 3.84Å; D108-H111 PolarHBondContact OD1-ND1 3.11Å; D108-H111 IonicContact OD2-CE1 3.99Å; D108-H111 PolarHBondContact OD2-CE1 2.86Å; D108-H111 IonicContact OD2-ND1 2.81Å; D108-H111 PolarHBondContact OD2-ND1 3.2Å; D108-T112 WeakPolarHBondContact O-CB 3.3Å; D108-T112 PolarHBondContact O-N 2.97Å; D108-T112 PolarHBondContact O-OG1 3.33Å; D108-R164 VanDerWaalsContact C-NH1 3.3Å; D108-R164 PolarHBondContact O-NH1 3.06Å
109Q87.7Confident88.4Confident127 Ų12777.9 Ų77.959%0.59338%0.377SS*.Hα-helixtrans-61.2-43.7-177.2-178.2176.5-17.300112.3D113 R164Q109-D113 WeakPolarHBondContact O-CB 3.47Å; Q109-D113 PolarHBondContact O-N 3.14Å; Q109-R164 VanDerWaalsContact CA-NH1 3.33Å
110Y89.6Confident88.6Confident161 Ų16174.4 Ų74.463%0.63136%0.359SS*.Hα-helixtrans-64.9-49.6-175.3175.9-99.3000112.3D108 D113 L114D108-Y110 VanDerWaalsContact C-N 3.34Å; D108-Y110 PolarHBondContact O-N 3.06Å; D108-Y110 PolarHBondContact OD1-N 3.23Å; D108-Y110 VanDerWaalsContact OD1-N 3.07Å; Y110-D113 PolarHBondContact O-N 3.2Å; Y110-L114 PolarHBondContact O-N 3.18Å; Y110-L114 VanDerWaalsContact O-N 3.09Å
111H90.7Very high89.1Confident35 Ų3575.6 Ų75.616%0.16237%0.371CS..Hα-helixtrans-70-38.6179.4-65.789.2000111.3A104 N105 M106 D108 D113 L114 I115A104-H111 VanDerWaalsContact CB-CE1 3.47Å; A104-H111 WeakPolarHBondContact CB-CE1 3.37Å; N105-H111 PolarHBondContact O-ND1 2.91Å; M106-H111 WeakPolarHBondContact O-CB 3.5Å; M106-H111 HydrophobicContact SD-CB 4.49Å; D108-H111 WeakPolarHBondContact OD1-CB 3.36Å; D108-H111 IonicContact OD1-CE1 2.71Å; D108-H111 IonicContact OD1-CG 3.75Å; D108-H111 PolarHBondContact OD1-N 3.46Å; D108-H111 IonicContact OD1-ND1 3.84Å; D108-H111 PolarHBondContact OD1-ND1 3.11Å; D108-H111 IonicContact OD2-CE1 3.99Å; D108-H111 PolarHBondContact OD2-CE1 2.86Å; D108-H111 IonicContact OD2-ND1 2.81Å; D108-H111 PolarHBondContact OD2-ND1 3.2Å; H111-D113 PolarHBondContact O-N 3.3Å; H111-L114 PolarHBondContact O-N 2.9Å; H111-I115 WeakPolarHBondContact O-CD1 3.44Å; H111-I115 WeakPolarHBondContact O-CG1 3.42Å; H111-I115 PolarHBondContact O-N 3.47Å
112T91.3Very high89.7Confident1 Ų168.3 Ų68.31%0.00634%0.344CS..Hα-helixtrans-57.6-48.1174-62.20000111L107 D108 L114 I115 L116 L157L107-T112 PolarHBondContact O-OG1 3.48Å; D108-T112 WeakPolarHBondContact O-CB 3.3Å; D108-T112 PolarHBondContact O-N 2.97Å; D108-T112 PolarHBondContact O-OG1 3.33Å; T112-L114 VanDerWaalsContact C-N 3.31Å; T112-L114 PolarHBondContact O-N 3.47Å; T112-I115 PolarHBondContact O-N 3.39Å; T112-L116 HydrophobicContact CG2-CD1 4.14Å; T112-L116 WeakPolarHBondContact O-CG 3.48Å; T112-L116 PolarHBondContact O-N 3Å; T112-L157 HydrophobicContact CG2-CB 3.96Å; T112-L157 HydrophobicContact CG2-CD2 3.87Å; T112-L157 HydrophobicContact CG2-CG 4.42Å
113D92.4Very high90.2Very high52 Ų5261.8 Ų61.828%0.27832%0.316SS..Hα-helixtrans-62.2-38.5177.7-81.1-31.3000112.4Q109 Y110 H111 K117 K161Q109-D113 WeakPolarHBondContact O-CB 3.47Å; Q109-D113 PolarHBondContact O-N 3.14Å; Y110-D113 PolarHBondContact O-N 3.2Å; H111-D113 PolarHBondContact O-N 3.3Å; D113-K117 VanDerWaalsContact O-CB 3.31Å; D113-K117 WeakPolarHBondContact O-CB 3.46Å; D113-K117 PolarHBondContact O-N 3.42Å; D113-K161 VanDerWaalsContact OD1-CD 3.29Å; D113-K161 WeakPolarHBondContact OD1-CD 3.48Å; D113-K161 WeakPolarHBondContact OD1-CE 3.39Å; D113-K161 IonicContact OD1-NZ 3.42Å; D113-K161 PolarHBondContact OD1-NZ 3.34Å
114L93.3Very high91.2Very high82 Ų8262.3 Ų62.343%0.42932%0.318SS..Hα-helixtrans-67.8-41.1177.7-167.1140.8000112Y110 H111 T112 K117 L118Y110-L114 PolarHBondContact O-N 3.18Å; Y110-L114 VanDerWaalsContact O-N 3.09Å; H111-L114 PolarHBondContact O-N 2.9Å; T112-L114 VanDerWaalsContact C-N 3.31Å; T112-L114 PolarHBondContact O-N 3.47Å; L114-K117 PolarHBondContact O-N 3.29Å; L114-L118 WeakPolarHBondContact O-CB 3.44Å; L114-L118 PolarHBondContact O-N 3.14Å
115I93.5Very high91.7Very high34 Ų3465.5 Ų65.517%0.17433%0.33CS..Hα-helixtrans-63.3-45.9175.6-67.7162.3000110.3V98 H111 T112 K117 L118 H119 L157V98-I115 HydrophobicContact CG1-CG1 4.14Å; H111-I115 WeakPolarHBondContact O-CD1 3.44Å; H111-I115 WeakPolarHBondContact O-CG1 3.42Å; H111-I115 PolarHBondContact O-N 3.47Å; T112-I115 PolarHBondContact O-N 3.39Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 2.81Å; I115-L118 WeakPolarHBondContact O-CB 3.33Å; I115-L118 PolarHBondContact O-N 2.87Å; I115-H119 PolarHBondContact O-N 2.84Å; I115-L157 HydrophobicContact CB-CD1 4.2Å; I115-L157 HydrophobicContact CD1-CD1 4.41Å; I115-L157 HydrophobicContact CG2-CD1 3.57Å
116L94.4Very high92.1Very high20 Ų2069.7 Ų69.711%0.10535%0.348CS..Hα-helixtrans-64.4-38.5177.2-68.4175.8000111.9T112 H119 A120 V154 L157 E158 K161T112-L116 HydrophobicContact CG2-CD1 4.14Å; T112-L116 WeakPolarHBondContact O-CG 3.48Å; T112-L116 PolarHBondContact O-N 3Å; L116-H119 PolarHBondContact O-N 3.47Å; L116-A120 WeakPolarHBondContact O-CB 3.35Å; L116-A120 PolarHBondContact O-N 3.47Å; L116-V154 HydrophobicContact CD2-CG1 4.06Å; L116-L157 HydrophobicContact CD2-CB 4Å; L116-L157 HydrophobicContact CG-CB 4.33Å; L116-E158 HydrophobicContact CD1-CG 4.09Å; L116-E158 HydrophobicContact CD2-CG 3.67Å; L116-K161 HydrophobicContact CD1-CD 3.93Å
117K95.7Very high92.3Very high166 Ų16672.5 Ų72.572%0.72237%0.367SS*.Hα-helixtrans-63.9-42174.4-173177.1-179.1179.60111.8D113 L114 I115 A120 A121D113-K117 VanDerWaalsContact O-CB 3.31Å; D113-K117 WeakPolarHBondContact O-CB 3.46Å; D113-K117 PolarHBondContact O-N 3.42Å; L114-K117 PolarHBondContact O-N 3.29Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 2.81Å; K117-A120 PolarHBondContact O-N 2.83Å; K117-A121 PolarHBondContact O-N 3.21Å
118L94.7Very high92.5Very high69 Ų6976 Ų7636%0.36139%0.391SS..Hα-helixtrans-62-47.1174.5177.364.7000111V96 V98 L114 I115 A120 A121 V122V96-L118 HydrophobicContact CG1-CD2 3.97Å; V98-L118 HydrophobicContact CG2-CD2 3.95Å; L114-L118 WeakPolarHBondContact O-CB 3.44Å; L114-L118 PolarHBondContact O-N 3.14Å; I115-L118 WeakPolarHBondContact O-CB 3.33Å; I115-L118 PolarHBondContact O-N 2.87Å; L118-A120 VanDerWaalsContact C-N 3.33Å; L118-A120 PolarHBondContact O-N 3.09Å; L118-A121 WeakPolarHBondContact O-CB 3.23Å; L118-A121 PolarHBondContact O-N 3.27Å; L118-A121 VanDerWaalsContact O-N 3.13Å; L118-V122 HydrophobicContact CD1-CG2 4.42Å; L118-V122 WeakPolarHBondContact O-CG2 3.3Å; L118-V122 PolarHBondContact O-N 3.01Å
119H93.3Very high92.7Very high52 Ų5281.6 Ų81.624%0.24141%0.409CS..Hα-helixtrans-56.8-47.1176.4179.675.4000111.6I115 L116 A121 V122 T123I115-H119 PolarHBondContact O-N 2.84Å; L116-H119 PolarHBondContact O-N 3.47Å; H119-A121 VanDerWaalsContact C-N 3.31Å; H119-A121 PolarHBondContact O-N 3.29Å; H119-V122 PolarHBondContact O-N 3.32Å; H119-T123 WeakPolarHBondContact O-CG2 3.43Å; H119-T123 PolarHBondContact O-N 3.09Å; H119-T123 PolarHBondContact O-OG1 2.81Å; H119-T123 VanDerWaalsContact O-OG1 3.13Å
120A93.9Very high93Very high34 Ų3482.1 Ų82.128%0.28142%0.423SS..Hα-helixtrans-63.4-34.3176.700000113.1L116 K117 L118 T123 K124L116-A120 WeakPolarHBondContact O-CB 3.35Å; L116-A120 PolarHBondContact O-N 3.47Å; K117-A120 PolarHBondContact O-N 2.83Å; L118-A120 VanDerWaalsContact C-N 3.33Å; L118-A120 PolarHBondContact O-N 3.09Å; A120-T123 PolarHBondContact O-OG1 3.02Å; A120-K124 WeakPolarHBondContact O-CB 3.42Å; A120-K124 WeakPolarHBondContact O-CD 3.43Å; A120-K124 WeakPolarHBondContact O-CG 3.15Å; A120-K124 PolarHBondContact O-N 3.48Å
121A94.4Very high93Very high57 Ų5778.6 Ų78.647%0.47144%0.436SS..Hα-helixtrans-67.1-45.5174.900000111K117 L118 H119 K124 I125K117-A121 PolarHBondContact O-N 3.21Å; L118-A121 WeakPolarHBondContact O-CB 3.23Å; L118-A121 PolarHBondContact O-N 3.27Å; L118-A121 VanDerWaalsContact O-N 3.13Å; H119-A121 VanDerWaalsContact C-N 3.31Å; H119-A121 PolarHBondContact O-N 3.29Å; A121-K124 PolarHBondContact O-N 2.91Å; A121-I125 WeakPolarHBondContact O-CG1 3.36Å; A121-I125 PolarHBondContact O-N 3.22Å
122V91.8Very high93.2Very high57 Ų5781.3 Ų81.335%0.34545%0.448SS..Hα-helixtrans-62.4-45.2179.5172.20000111.7L118 H119 K124 I125L118-V122 HydrophobicContact CD1-CG2 4.42Å; L118-V122 WeakPolarHBondContact O-CG2 3.3Å; L118-V122 PolarHBondContact O-N 3.01Å; H119-V122 PolarHBondContact O-N 3.32Å; V122-K124 PolarHBondContact O-N 3.27Å; V122-I125 WeakPolarHBondContact O-CB 3.39Å; V122-I125 WeakPolarHBondContact O-CG1 3.39Å; V122-I125 PolarHBondContact O-N 3.37Å
123T91.1Very high93.3Very high38 Ų3885.3 Ų85.323%0.23347%0.469CS..Hα-helixtrans-69.7-21.6-17953.90000113.3H119 A120 F136H119-T123 WeakPolarHBondContact O-CG2 3.43Å; H119-T123 PolarHBondContact O-N 3.09Å; H119-T123 PolarHBondContact O-OG1 2.81Å; H119-T123 VanDerWaalsContact O-OG1 3.13Å; A120-T123 PolarHBondContact O-OG1 3.02Å; T123-F136 HydrophobicContact CG2-CD1 3.89Å; T123-F136 HydrophobicContact CG2-CE1 4.18Å; T123-F136 HydrophobicContact CG2-CG 4.28Å; T123-F136 WeakPolarHBondContact O-CB 3.4Å
124K93.3Very high93.4Very high156 Ų15687.4 Ų87.468%0.67847%0.474SS*.THydrogen-bonded Turntrans-91.5-2.7177.2-70.4175.8-176.2178.30114.4A120 A121 V122 Q126A120-K124 WeakPolarHBondContact O-CB 3.42Å; A120-K124 WeakPolarHBondContact O-CD 3.43Å; A120-K124 WeakPolarHBondContact O-CG 3.15Å; A120-K124 PolarHBondContact O-N 3.48Å; A121-K124 PolarHBondContact O-N 2.91Å; V122-K124 PolarHBondContact O-N 3.27Å; K124-Q126 PolarHBondContact O-N 3.4Å
125I92.7Very high93.3Very high96 Ų9685 Ų8549%0.49246%0.462SS..  trans-57.4133.8176.3-66.1174000109.3A121 V122 V127A121-I125 WeakPolarHBondContact O-CG1 3.36Å; A121-I125 PolarHBondContact O-N 3.22Å; V122-I125 WeakPolarHBondContact O-CB 3.39Å; V122-I125 WeakPolarHBondContact O-CG1 3.39Å; V122-I125 PolarHBondContact O-N 3.37Å; I125-V127 HydrophobicContact CG2-CG2 4.22Å
126Q94.5Very high93.1Very high129 Ų12986.4 Ų86.460%0.60347%0.467SS*.EExtended strand (participates in β ladder)trans-114.4127.7174.2-54.6-166.1-2200109.4K124 Y134 T135K124-Q126 PolarHBondContact O-N 3.4Å; Q126-Y134 CarbonylContact C-O 3.6Å; Q126-Y134 WeakPolarHBondContact CA-O 3.27Å; Q126-T135 HydrophobicContact CG-CG2 3.98Å
127V93.3Very high92.9Very high81 Ų8188.4 Ų88.449%0.49149%0.486SS..EExtended strand (participates in β ladder)trans-109.5109.2177.9-177.30000108.4I125 R129 Y134I125-V127 HydrophobicContact CG2-CG2 4.22Å; V127-R129 PolarHBondContact O-N 3.45Å; V127-Y134 PolarHBondContact N-O 3.04Å; V127-Y134 PolarHBondContact O-N 2.83Å
128P93.8Very high92.6Very high103 Ų10385.5 Ų85.567%0.66948%0.475SS*.EExtended strand (participates in β ladder)trans-71.7125179.828.4-32.7000110.5N133P128-N133 WeakPolarHBondContact CA-OD1 3.21Å
129R92.3Very high92.1Very high164 Ų16488 Ų8862%0.61949%0.488SS*.EExtended strand (participates in β ladder)trans-122.9154.9168.6-77.3-99.1-90.1-149.8-6.1108.5V127 G131 F132 Y134V127-R129 PolarHBondContact O-N 3.45Å; R129-G131 PolarHBondContact O-N 3.3Å; R129-F132 CarbonylContact C-O 3.57Å; R129-F132 PolarHBondContact N-O 2.89Å; R129-F132 PolarHBondContact O-N 2.78Å; R129-Y134 HydrophobicContact CB-CD2 3.92Å; R129-Y134 HydrophobicContact CB-CE2 3.81Å; R129-Y134 HydrophobicContact CG-CD2 3.88Å; R129-Y134 HydrophobicContact CG-CE2 4Å
130P92.4Very high91.7Very high137 Ų13786.7 Ų86.789%0.8948%0.484SS*.THydrogen-bonded Turntrans-52.1114.8179.1-2533.7000110.9F132P130-F132 PolarHBondContact O-N 3.2Å
131G91.1Very high91Very high88 Ų8888.6 Ų88.691%0.90749%0.489SS*.THydrogen-bonded Turntrans83.3-4.7178.900000117.1R129R129-G131 PolarHBondContact O-N 3.3Å
132F94.2Very high90.3Very high92 Ų9289.9 Ų89.940%0.40449%0.487SS..EExtended strand (participates in β ladder)trans-157.7137178-162.7-99.7000113.6R129 P130 Y134 H138R129-F132 CarbonylContact C-O 3.57Å; R129-F132 PolarHBondContact N-O 2.89Å; R129-F132 PolarHBondContact O-N 2.78Å; P130-F132 PolarHBondContact O-N 3.2Å; F132-Y134 HydrophobicContact CB-CE2 4.2Å; F132-Y134 AromaticContact CD1-CD1 3.84Å; F132-Y134 HydrophobicContact CD1-CD1 3.84Å; F132-Y134 AromaticContact CD1-CD2 3.87Å; F132-Y134 HydrophobicContact CD1-CD2 3.87Å; F132-Y134 AromaticContact CD1-CE1 3.84Å; F132-Y134 HydrophobicContact CD1-CE1 3.84Å; F132-Y134 AromaticContact CD1-CE2 3.87Å; F132-Y134 HydrophobicContact CD1-CE2 3.87Å; F132-Y134 AromaticContact CD1-CG 3.86Å; F132-Y134 HydrophobicContact CD1-CG 3.86Å; F132-Y134 AromaticContact CD1-CZ 3.86Å; F132-Y134 AromaticContact CE1-CD1 3.98Å; F132-Y134 HydrophobicContact CE1-CD1 3.98Å; F132-Y134 HydrophobicContact CE1-CE1 4.16Å; F132-Y134 HydrophobicContact CE1-CG 4.29Å; F132-H138 AromaticContact CE1-CD2 3.81Å; F132-H138 AromaticContact CE1-CG 3.92Å; F132-H138 AromaticContact CE1-NE2 3.9Å; F132-H138 AromaticContact CZ-CD2 3.65Å; F132-H138 AromaticContact CZ-CE1 3.9Å; F132-H138 AromaticContact CZ-NE2 3.45Å; F132-H138 WeakPolarHBondContact CZ-NE2 3.48Å
133N94.4Very high89.6Confident85 Ų8588.7 Ų88.746%0.45548%0.479SS..EExtended strand (participates in β ladder)trans-96.4104.9172.7-71-13.9000109.6P128P128-N133 WeakPolarHBondContact CA-OD1 3.21Å
134Y92.6Very high89Confident96 Ų9691.2 Ų91.238%0.37649%0.491SS..EExtended strand (participates in β ladder)trans-74.9141.9179-71.6-87.1000110.7Q126 V127 R129 F132 H138 I139Q126-Y134 CarbonylContact C-O 3.6Å; Q126-Y134 WeakPolarHBondContact CA-O 3.27Å; V127-Y134 PolarHBondContact N-O 3.04Å; V127-Y134 PolarHBondContact O-N 2.83Å; R129-Y134 HydrophobicContact CB-CD2 3.92Å; R129-Y134 HydrophobicContact CB-CE2 3.81Å; R129-Y134 HydrophobicContact CG-CD2 3.88Å; R129-Y134 HydrophobicContact CG-CE2 4Å; F132-Y134 HydrophobicContact CB-CE2 4.2Å; F132-Y134 AromaticContact CD1-CD1 3.84Å; F132-Y134 HydrophobicContact CD1-CD1 3.84Å; F132-Y134 AromaticContact CD1-CD2 3.87Å; F132-Y134 HydrophobicContact CD1-CD2 3.87Å; F132-Y134 AromaticContact CD1-CE1 3.84Å; F132-Y134 HydrophobicContact CD1-CE1 3.84Å; F132-Y134 AromaticContact CD1-CE2 3.87Å; F132-Y134 HydrophobicContact CD1-CE2 3.87Å; F132-Y134 AromaticContact CD1-CG 3.86Å; F132-Y134 HydrophobicContact CD1-CG 3.86Å; F132-Y134 AromaticContact CD1-CZ 3.86Å; F132-Y134 AromaticContact CE1-CD1 3.98Å; F132-Y134 HydrophobicContact CE1-CD1 3.98Å; F132-Y134 HydrophobicContact CE1-CE1 4.16Å; F132-Y134 HydrophobicContact CE1-CG 4.29Å; Y134-H138 HydrophobicContact CD1-CB 4.19Å; Y134-I139 HydrophobicContact CD1-CG2 4.34Å
135T92.1Very high88.5Confident30 Ų3089.6 Ų89.618%0.18449%0.49CS..EExtended strand (participates in β ladder)trans-127.5169.1172.972.50000109.3Q126 A137 H138Q126-T135 HydrophobicContact CG-CG2 3.98Å; T135-A137 PolarHBondContact O-N 3.39Å; T135-H138 PolarHBondContact N-ND1 3.24Å; T135-H138 WeakPolarHBondContact O-CB 3.23Å; T135-H138 PolarHBondContact O-N 3.01Å; T135-H138 PolarHBondContact OG1-CE1 3.44Å; T135-H138 PolarHBondContact OG1-ND1 2.94Å
136F89.9Confident88Confident64 Ų6493.5 Ų93.528%0.28150%0.503SS..Hα-helixtrans-51.2-40.6176.6-179.3-102.5000112.6T123 H138 I139 C140 C148 V150T123-F136 HydrophobicContact CG2-CD1 3.89Å; T123-F136 HydrophobicContact CG2-CE1 4.18Å; T123-F136 HydrophobicContact CG2-CG 4.28Å; T123-F136 WeakPolarHBondContact O-CB 3.4Å; F136-H138 PolarHBondContact O-N 3.46Å; F136-H138 VanDerWaalsContact O-N 3.17Å; F136-I139 WeakPolarHBondContact O-CG1 3.26Å; F136-I139 PolarHBondContact O-N 2.96Å; F136-I139 VanDerWaalsContact O-N 3.15Å; F136-C140 HydrophobicContact CD1-CB 4.28Å; F136-C140 HydrophobicContact CE1-CB 3.9Å; F136-C140 HydrophobicContact CE2-CB 4.4Å; F136-C140 HydrophobicContact CZ-CB 3.96Å; F136-C140 WeakPolarHBondContact O-CB 3.49Å; F136-C140 PolarHBondContact O-N 3.38Å; F136-C148 HydrophobicContact CD1-CB 4.44Å; F136-C148 HydrophobicContact CE1-CB 3.77Å; F136-V150 HydrophobicContact CE1-CG1 4.12Å; F136-V150 HydrophobicContact CZ-CG1 4.27Å
137A89Confident87.5Confident62 Ų6291.1 Ų91.151%0.51250%0.497SS..Hα-helixtrans-62.6-22.6-179.900000114.6T135T135-A137 PolarHBondContact O-N 3.39Å
138H89.1Confident87.1Confident105 Ų10589 Ų8949%0.48649%0.486SS..Hα-helixtrans-85.9-17.5179.6-63100.8000113.5F132 Y134 T135 F136F132-H138 AromaticContact CE1-CD2 3.81Å; F132-H138 AromaticContact CE1-CG 3.92Å; F132-H138 AromaticContact CE1-NE2 3.9Å; F132-H138 AromaticContact CZ-CD2 3.65Å; F132-H138 AromaticContact CZ-CE1 3.9Å; F132-H138 AromaticContact CZ-NE2 3.45Å; F132-H138 WeakPolarHBondContact CZ-NE2 3.48Å; Y134-H138 HydrophobicContact CD1-CB 4.19Å; T135-H138 PolarHBondContact N-ND1 3.24Å; T135-H138 WeakPolarHBondContact O-CB 3.23Å; T135-H138 PolarHBondContact O-N 3.01Å; T135-H138 PolarHBondContact OG1-CE1 3.44Å; T135-H138 PolarHBondContact OG1-ND1 2.94Å; F136-H138 PolarHBondContact O-N 3.46Å; F136-H138 VanDerWaalsContact O-N 3.17Å
139I86.1Confident86.5Confident123 Ų12386.3 Ų86.363%0.63147%0.465SS*.Hα-helixtrans-119.8-14.2-172.761.4168.8000113.4Y134 F136Y134-I139 HydrophobicContact CD1-CG2 4.34Å; F136-I139 WeakPolarHBondContact O-CG1 3.26Å; F136-I139 PolarHBondContact O-N 2.96Å; F136-I139 VanDerWaalsContact O-N 3.15Å
140C84Confident86.1Confident23 Ų2381.2 Ų81.216%0.15545%0.452CS..SBendtrans-65.7157.7-179.273.80000111.5F136 C148F136-C140 HydrophobicContact CD1-CB 4.28Å; F136-C140 HydrophobicContact CE1-CB 3.9Å; F136-C140 HydrophobicContact CE2-CB 4.4Å; F136-C140 HydrophobicContact CZ-CB 3.96Å; F136-C140 WeakPolarHBondContact O-CB 3.49Å; F136-C140 PolarHBondContact O-N 3.38Å; C140-C148 HydrophobicContact CB-CB 3.62Å; C140-C148 WeakPolarHBondContact CB-SG 3.29Å; C140-C148 WeakPolarHBondContact SG-CA 3.23Å; C140-C148 WeakPolarHBondContact SG-CB 3.29Å; C140-C148 CovalentContact SG-SG 2.03Å; C140-C148 PolarHBondContact SG-SG 2.9Å
141I78.7Confident85.6Confident75 Ų7579.1 Ų79.139%0.38543%0.434SS..PPolyproline II helixtrans-76.2130.2167.8-61.8172.6000107.8R78 I149R78-I141 WeakPolarHBondContact O-CG2 3.31Å; I141-I149 HydrophobicContact CB-CD1 4.4Å; I141-I149 HydrophobicContact CG2-CD1 3.78Å; I141-I149 PolarHBondContact O-N 3.35Å
142L80.9Confident85.3Confident84 Ų8479.8 Ų79.844%0.4442%0.417SS..BIsolated β-bridgetrans-88.2136.2176.9-61176.3000110.9S79 T147S79-L142 WeakPolarHBondContact CB-O 3.45Å; L142-T147 CarbonylContact C-O 3.58Å; L142-T147 WeakPolarHBondContact CA-O 3.04Å
143N76Confident84.9Confident31 Ų3179.3 Ų79.317%0.16642%0.417CS..PPolyproline II helixtrans-74.2172.2165.7-171.817.5000110.3D145 K146 T147 I149N143-D145 PolarHBondContact ND2-OD2 3.29Å; N143-D145 PolarHBondContact O-N 2.9Å; N143-D145 VanDerWaalsContact O-N 3.11Å; N143-K146 PolarHBondContact O-N 2.9Å; N143-T147 PolarHBondContact N-O 3.14Å; N143-I149 HydrophobicContact CB-CG1 4.03Å
144N78.3Confident84.7Confident92 Ų9276 Ų7649%0.49240%0.4SS..THydrogen-bonded Turntrans-52.8-31.8174.2-63.3-29.6000112.5K146N144-K146 PolarHBondContact O-N 2.99Å
145D83.1Confident84.6Confident121 Ų12176.4 Ų76.465%0.64741%0.405SS*.THydrogen-bonded Turntrans-85.310.7-179.6-49.6-44.1000113.3N143 T147N143-D145 PolarHBondContact ND2-OD2 3.29Å; N143-D145 PolarHBondContact O-N 2.9Å; N143-D145 VanDerWaalsContact O-N 3.11Å; D145-T147 PolarHBondContact O-N 2.95Å
146K82.6Confident84.5Confident179 Ų17978 Ų7878%0.77841%0.414SS*.SBendtrans61.221.9-177.1-53.1178.3-179.31760114.6N143 N144N143-K146 PolarHBondContact O-N 2.9Å; N144-K146 PolarHBondContact O-N 2.99Å
147T84.4Confident84.5Confident78 Ų7875.1 Ų75.148%0.47940%0.402SS..PPolyproline II helixtrans-96.4148.6172.3540000110.7L142 N143 D145 I149L142-T147 CarbonylContact C-O 3.58Å; L142-T147 WeakPolarHBondContact CA-O 3.04Å; N143-T147 PolarHBondContact N-O 3.14Å; D145-T147 PolarHBondContact O-N 2.95Å; T147-I149 PolarHBondContact O-N 3.38Å
148C84.8Confident84.7Confident36 Ų3676.5 Ų76.524%0.24340%0.398CS..BIsolated β-bridgetrans-65.1133.7173.5-69.70000110.5F136 C140 V150F136-C148 HydrophobicContact CD1-CB 4.44Å; F136-C148 HydrophobicContact CE1-CB 3.77Å; C140-C148 HydrophobicContact CB-CB 3.62Å; C140-C148 WeakPolarHBondContact CB-SG 3.29Å; C140-C148 WeakPolarHBondContact SG-CA 3.23Å; C140-C148 WeakPolarHBondContact SG-CB 3.29Å; C140-C148 CovalentContact SG-SG 2.03Å; C140-C148 PolarHBondContact SG-SG 2.9Å; C148-V150 PolarHBondContact O-N 3.36Å
149I79.9Confident84.7Confident47 Ų4776.7 Ų76.724%0.24140%0.399CS..PPolyproline II helixtrans-72.1125.6170.4-58.6176.4000108.5I141 N143 T147I141-I149 HydrophobicContact CB-CD1 4.4Å; I141-I149 HydrophobicContact CG2-CD1 3.78Å; I141-I149 PolarHBondContact O-N 3.35Å; N143-I149 HydrophobicContact CB-CG1 4.03Å; T147-I149 PolarHBondContact O-N 3.38Å
150V83.7Confident84.8Confident57 Ų5772 Ų7235%0.34538%0.375SS..  trans-126.6164.9173-65.50000108.5F136 C148 D152F136-V150 HydrophobicContact CE1-CG1 4.12Å; F136-V150 HydrophobicContact CZ-CG1 4.27Å; C148-V150 PolarHBondContact O-N 3.36Å; V150-D152 PolarHBondContact O-N 3.47Å
151D82.6Confident85.1Confident93 Ų9375.1 Ų75.150%0.49739%0.386SS..  trans-63.7132.4178.1-164.2-59.1000110.7I153 V154D151-I153 HydrophobicContact CB-CG2 3.98Å; D151-I153 PolarHBondContact O-N 3.37Å; D151-I153 WeakPolarHBondContact OD1-CB 3.15Å; D151-I153 WeakPolarHBondContact OD1-CG2 3.46Å; D151-I153 PolarHBondContact OD1-N 3.48Å; D151-V154 WeakPolarHBondContact O-CB 3.19Å; D151-V154 WeakPolarHBondContact O-CG2 3.24Å; D151-V154 PolarHBondContact O-N 3.49Å
152D85Confident85.6Confident103 Ų10376.4 Ų76.455%0.55139%0.394SS*.Hα-helixtrans-57.8-23.5-178-68.7-32.3000112.3V150 V154 H155 V156V150-D152 PolarHBondContact O-N 3.47Å; D152-V154 PolarHBondContact O-N 2.99Å; D152-H155 WeakPolarHBondContact O-CB 3.4Å; D152-H155 PolarHBondContact O-N 3.41Å; D152-H155 VanDerWaalsContact O-N 3.14Å; D152-V156 WeakPolarHBondContact O-CG2 3.41Å; D152-V156 PolarHBondContact O-N 2.84Å; D152-V156 VanDerWaalsContact O-N 3.09Å
153I86.6Confident85.9Confident82 Ų8273.7 Ų73.742%0.42138%0.384SS..Hα-helixtrans-58-31.9174.3-165.457.2000112.3D151 V156 L157D151-I153 HydrophobicContact CB-CG2 3.98Å; D151-I153 PolarHBondContact O-N 3.37Å; D151-I153 WeakPolarHBondContact OD1-CB 3.15Å; D151-I153 WeakPolarHBondContact OD1-CG2 3.46Å; D151-I153 PolarHBondContact OD1-N 3.48Å; I153-V156 HydrophobicContact CD1-CB 4.48Å; I153-V156 PolarHBondContact O-N 2.81Å; I153-L157 HydrophobicContact CG1-CD1 4.34Å; I153-L157 HydrophobicContact CG1-CG 4.37Å; I153-L157 WeakPolarHBondContact O-CB 3.43Å; I153-L157 WeakPolarHBondContact O-CG 3.34Å; I153-L157 PolarHBondContact O-N 3.26Å
154V89.8Confident86.3Confident14 Ų1474.8 Ų74.89%0.08539%0.385CS..Hα-helixtrans-64.2-45.3178.4-179.90000109.9L116 D151 D152 L157 E158L116-V154 HydrophobicContact CD2-CG1 4.06Å; D151-V154 WeakPolarHBondContact O-CB 3.19Å; D151-V154 WeakPolarHBondContact O-CG2 3.24Å; D151-V154 PolarHBondContact O-N 3.49Å; D152-V154 PolarHBondContact O-N 2.99Å; V154-L157 PolarHBondContact O-N 3.38Å; V154-E158 WeakPolarHBondContact O-CG 3.49Å; V154-E158 PolarHBondContact O-N 3.44Å
155H89.3Confident86.6Confident105 Ų10574.4 Ų74.449%0.48640%0.395SS..Hα-helixtrans-62.3-44.3176.8-174.3-82.1000111.4D152 L157 E158 E159D152-H155 WeakPolarHBondContact O-CB 3.4Å; D152-H155 PolarHBondContact O-N 3.41Å; D152-H155 VanDerWaalsContact O-N 3.14Å; H155-L157 VanDerWaalsContact C-N 3.33Å; H155-L157 PolarHBondContact O-N 2.92Å; H155-E158 PolarHBondContact O-N 2.86Å; H155-E159 IonicContact CE1-OE1 3.13Å; H155-E159 PolarHBondContact CE1-OE1 2.98Å; H155-E159 IonicContact CE1-OE2 3.99Å; H155-E159 IonicContact ND1-OE1 2.83Å; H155-E159 IonicContact ND1-OE2 3.41Å; H155-E159 PolarHBondContact O-N 3.41Å
156V90Very high86.6Confident63 Ų6372.3 Ų72.338%0.38239%0.386SS..Hα-helixtrans-59.7-43.3176.2174.30000111.2D152 I153 E158 E159 L160D152-V156 WeakPolarHBondContact O-CG2 3.41Å; D152-V156 PolarHBondContact O-N 2.84Å; D152-V156 VanDerWaalsContact O-N 3.09Å; I153-V156 HydrophobicContact CD1-CB 4.48Å; I153-V156 PolarHBondContact O-N 2.81Å; V156-E158 PolarHBondContact O-N 2.98Å; V156-E159 PolarHBondContact O-N 3.48Å; V156-L160 HydrophobicContact CG1-CD1 4.08Å; V156-L160 HydrophobicContact CG1-CG 4.35Å; V156-L160 WeakPolarHBondContact O-CB 3.41Å; V156-L160 VanDerWaalsContact O-CG 3.23Å; V156-L160 WeakPolarHBondContact O-CG 3.48Å; V156-L160 PolarHBondContact O-N 2.92Å
157L91.7Very high86.2Confident4 Ų470.9 Ų70.92%0.02139%0.388CS..Hα-helixtrans-64.7-38.3177.9-72.7176.2000112.5L107 T112 I115 L116 I153 V154 H155 L160 K161L107-L157 HydrophobicContact CD2-CD2 3.69Å; T112-L157 HydrophobicContact CG2-CB 3.96Å; T112-L157 HydrophobicContact CG2-CD2 3.87Å; T112-L157 HydrophobicContact CG2-CG 4.42Å; I115-L157 HydrophobicContact CB-CD1 4.2Å; I115-L157 HydrophobicContact CD1-CD1 4.41Å; I115-L157 HydrophobicContact CG2-CD1 3.57Å; L116-L157 HydrophobicContact CD2-CB 4Å; L116-L157 HydrophobicContact CG-CB 4.33Å; I153-L157 HydrophobicContact CG1-CD1 4.34Å; I153-L157 HydrophobicContact CG1-CG 4.37Å; I153-L157 WeakPolarHBondContact O-CB 3.43Å; I153-L157 WeakPolarHBondContact O-CG 3.34Å; I153-L157 PolarHBondContact O-N 3.26Å; V154-L157 PolarHBondContact O-N 3.38Å; H155-L157 VanDerWaalsContact C-N 3.33Å; H155-L157 PolarHBondContact O-N 2.92Å; L157-L160 HydrophobicContact CD2-CD1 4.47Å; L157-L160 PolarHBondContact O-N 3.29Å; L157-K161 WeakPolarHBondContact O-CB 3.48Å; L157-K161 PolarHBondContact O-N 3.34Å
158E92.1Very high85.3Confident92 Ų9277 Ų7743%0.4340%0.402SS..Hα-helixtrans-64.7-44.5173.7-71.9-179.4172.700111.9L116 V154 H155 V156 K161 N162L116-E158 HydrophobicContact CD1-CG 4.09Å; L116-E158 HydrophobicContact CD2-CG 3.67Å; V154-E158 WeakPolarHBondContact O-CG 3.49Å; V154-E158 PolarHBondContact O-N 3.44Å; H155-E158 PolarHBondContact O-N 2.86Å; V156-E158 PolarHBondContact O-N 2.98Å; E158-K161 WeakPolarHBondContact O-CB 3.41Å; E158-K161 PolarHBondContact O-N 3.3Å; E158-N162 WeakPolarHBondContact O-CB 3.44Å; E158-N162 VanDerWaalsContact O-CG 3.24Å; E158-N162 PolarHBondContact O-N 3.04Å; E158-N162 PolarHBondContact O-ND2 3.27Å
159E89.8Confident84.3Confident109 Ų10978.2 Ų78.251%0.50941%0.408SS..Hα-helixtrans-62-43.1174.8-73.9-171.2148.700112.1H155 V156 K161 N162 A163H155-E159 IonicContact CE1-OE1 3.13Å; H155-E159 PolarHBondContact CE1-OE1 2.98Å; H155-E159 IonicContact CE1-OE2 3.99Å; H155-E159 IonicContact ND1-OE1 2.83Å; H155-E159 IonicContact ND1-OE2 3.41Å; H155-E159 PolarHBondContact O-N 3.41Å; V156-E159 PolarHBondContact O-N 3.48Å; E159-K161 VanDerWaalsContact C-N 3.32Å; E159-K161 PolarHBondContact O-N 3.17Å; E159-N162 PolarHBondContact O-N 3.5Å; E159-A163 VanDerWaalsContact O-CB 3.27Å; E159-A163 WeakPolarHBondContact O-CB 3.38Å; E159-A163 PolarHBondContact O-N 2.91Å
160L88.2Confident83.3Confident24 Ų2483.1 Ų83.113%0.12644%0.435CS..Hα-helixtrans-61.1-41.3176.3-73.6175.5000111.9V156 L157 R164 I173V156-L160 HydrophobicContact CG1-CD1 4.08Å; V156-L160 HydrophobicContact CG1-CG 4.35Å; V156-L160 WeakPolarHBondContact O-CB 3.41Å; V156-L160 VanDerWaalsContact O-CG 3.23Å; V156-L160 WeakPolarHBondContact O-CG 3.48Å; V156-L160 PolarHBondContact O-N 2.92Å; L157-L160 HydrophobicContact CD2-CD1 4.47Å; L157-L160 PolarHBondContact O-N 3.29Å; L160-R164 WeakPolarHBondContact O-CG 3.49Å; L160-R164 PolarHBondContact O-N 3.32Å; L160-R164 VanDerWaalsContact O-N 3.07Å; L160-I173 HydrophobicContact CD2-CD1 3.69Å
161K89.5Confident82.5Confident89 Ų8989 Ų8939%0.38746%0.456SS..Hα-helixtrans-62-46.6174.4178.8178.1177.8155.90111.5D113 L116 L157 E158 E159 R164 A165D113-K161 VanDerWaalsContact OD1-CD 3.29Å; D113-K161 WeakPolarHBondContact OD1-CD 3.48Å; D113-K161 WeakPolarHBondContact OD1-CE 3.39Å; D113-K161 IonicContact OD1-NZ 3.42Å; D113-K161 PolarHBondContact OD1-NZ 3.34Å; L116-K161 HydrophobicContact CD1-CD 3.93Å; L157-K161 WeakPolarHBondContact O-CB 3.48Å; L157-K161 PolarHBondContact O-N 3.34Å; E158-K161 WeakPolarHBondContact O-CB 3.41Å; E158-K161 PolarHBondContact O-N 3.3Å; E159-K161 VanDerWaalsContact C-N 3.32Å; E159-K161 PolarHBondContact O-N 3.17Å; K161-R164 PolarHBondContact O-N 3.27Å; K161-A165 PolarHBondContact O-N 2.86Å
162N89.4Confident82Confident101 Ų10189.4 Ų89.454%0.5447%0.472SS..Hα-helixtrans-66.4-38.3179.4-69-21.7000112.3E158 E159 A165 T166E158-N162 WeakPolarHBondContact O-CB 3.44Å; E158-N162 VanDerWaalsContact O-CG 3.24Å; E158-N162 PolarHBondContact O-N 3.04Å; E158-N162 PolarHBondContact O-ND2 3.27Å; E159-N162 PolarHBondContact O-N 3.5Å; N162-A165 PolarHBondContact O-N 3.21Å; N162-T166 PolarHBondContact O-N 3.03Å; N162-T166 VanDerWaalsContact O-N 3.08Å; N162-T166 PolarHBondContact O-OG1 3.35Å
163A86.6Confident81.8Confident28 Ų2888.4 Ų88.423%0.23147%0.466CS..Hα-helixtrans-66.2-37.9177.500000112E159 T166 N167 R168 T169E159-A163 VanDerWaalsContact O-CB 3.27Å; E159-A163 WeakPolarHBondContact O-CB 3.38Å; E159-A163 PolarHBondContact O-N 2.91Å; A163-T166 WeakPolarHBondContact CA-OG1 3.37Å; A163-T166 PolarHBondContact O-N 2.88Å; A163-T166 PolarHBondContact O-OG1 2.89Å; A163-T166 VanDerWaalsContact O-OG1 3.14Å; A163-N167 PolarHBondContact O-N 3.23Å; A163-R168 PolarHBondContact O-N 3.18Å; A163-T169 HydrophobicContact CB-CG2 3.49Å; A163-T169 VanDerWaalsContact CB-CG2 3.49Å
164R84.7Confident81.7Confident54 Ų5488.3 Ų88.320%0.20447%0.469CS..Hα-helixtrans-65.1-44.9171.8-74.3173.3-174151.16.7112L107 D108 Q109 L160 K161 T166 N167 T169L107-R164 VanDerWaalsContact O-CZ 3.27Å; L107-R164 PolarHBondContact O-NH1 3.05Å; L107-R164 PolarHBondContact O-NH2 3.35Å; D108-R164 VanDerWaalsContact C-NH1 3.3Å; D108-R164 PolarHBondContact O-NH1 3.06Å; Q109-R164 VanDerWaalsContact CA-NH1 3.33Å; L160-R164 WeakPolarHBondContact O-CG 3.49Å; L160-R164 PolarHBondContact O-N 3.32Å; L160-R164 VanDerWaalsContact O-N 3.07Å; K161-R164 PolarHBondContact O-N 3.27Å; R164-T166 PolarHBondContact O-N 2.96Å; R164-N167 PolarHBondContact O-N 3.46Å; R164-T169 HydrophobicContact CG-CG2 4.42Å
165A84Confident81.5Confident83 Ų8394.1 Ų94.169%0.68649%0.491SS*.Hα-helixtrans-60.7-29.3178.400000112.7K161 N162K161-A165 PolarHBondContact O-N 2.86Å; N162-A165 PolarHBondContact O-N 3.21Å
166T83.9Confident81.2Confident77 Ų7791.7 Ų91.747%0.47248%0.484SS..THydrogen-bonded Turntrans-938.1178.352.10000113.9N162 A163 R164 R168N162-T166 PolarHBondContact O-N 3.03Å; N162-T166 VanDerWaalsContact O-N 3.08Å; N162-T166 PolarHBondContact O-OG1 3.35Å; A163-T166 WeakPolarHBondContact CA-OG1 3.37Å; A163-T166 PolarHBondContact O-N 2.88Å; A163-T166 PolarHBondContact O-OG1 2.89Å; A163-T166 VanDerWaalsContact O-OG1 3.14Å; R164-T166 PolarHBondContact O-N 2.96Å; T166-R168 PolarHBondContact O-N 2.71Å; T166-R168 VanDerWaalsContact O-N 3.12Å
167N73.8Confident80.7Confident150 Ų15095.8 Ų95.880%0.80250%0.502SS*.THydrogen-bonded Turntrans5227.1-174.8-82.7-30.2000113.9A163 R164 T169A163-N167 PolarHBondContact O-N 3.23Å; R164-N167 PolarHBondContact O-N 3.46Å; N167-T169 VanDerWaalsContact C-N 3.35Å
168R66.3Low79.8Confident207 Ų207101 Ų10178%0.78153%0.534SS*.  trans-87.7-0.1-177.7-77-177172.8158.5-1.7113.9A163 T166A163-R168 PolarHBondContact O-N 3.18Å; T166-R168 PolarHBondContact O-N 2.71Å; T166-R168 VanDerWaalsContact O-N 3.12Å
169T62.8Low78.2Confident60 Ų60107.7 Ų107.737%0.36856%0.556SS.*  trans-103.299.5-174.155.90000112.1A163 R164 N167 F171A163-T169 HydrophobicContact CB-CG2 3.49Å; A163-T169 VanDerWaalsContact CB-CG2 3.49Å; R164-T169 HydrophobicContact CG-CG2 4.42Å; N167-T169 VanDerWaalsContact C-N 3.35Å; T169-F171 VanDerWaalsContact C-N 3.34Å
170N59.2Low76.5Confident151 Ų151106 Ų10681%0.80755%0.554SS**  trans-87.53.2169.2-79.6-15.1000113.7
171F66.9Low74.5Confident181 Ų181114.8 Ų114.879%0.79461%0.609SS**SBendtrans-122.7127.8-174.3-58.5-77.8000111.8T169 I173T169-F171 VanDerWaalsContact C-N 3.34Å; F171-I173 PolarHBondContact O-N 3.11Å
172A72.3Confident73.7Confident100 Ų100116.1 Ų116.183%0.82662%0.62SS**  trans-83.8106.8176.800000110.2
173I81.9Confident72.9Confident83 Ų83116.8 Ų116.843%0.42662%0.624SS.*  trans-91.7129175.1-53.7173.2000108.6N105 L107 L160 F171N105-I173 PolarHBondContact ND2-O 3.49Å; L107-I173 HydrophobicContact CD1-CG2 3.55Å; L160-I173 HydrophobicContact CD2-CD1 3.69Å; F171-I173 PolarHBondContact O-N 3.11Å
174T83.6Confident72.1Confident79 Ų79121.8 Ų121.849%0.48565%0.646SS.*  trans-128.2133.1-177.157.10000111.9N105N105-T174 WeakPolarHBondContact OD1-CA 3.38Å
175Y84.8Confident71.4Confident137 Ų137125.8 Ų125.854%0.53767%0.672SS.*SBendtrans-135.7134.6168.8-178.4-89.4000110N105 M106N105-Y175 CarbonylContact C-O 3.59Å; N105-Y175 WeakPolarHBondContact CA-O 3.34Å; N105-Y175 PolarHBondContact OD1-N 2.98Å; N105-Y175 PolarHBondContact OD1-O 3.27Å; M106-Y175 HydrophobicContact CB-CD1 4.02Å; M106-Y175 HydrophobicContact CG-CD1 4.14Å; M106-Y175 PolarHBondContact N-O 3.19Å
176P83.7Confident70.6Confident54 Ų54128.4 Ų128.435%0.35167%0.671SS.*SBendcis-69.5154.10.328.1-34.3000113.2T178P176-T178 PolarHBondContact O-N 3.32Å
177I79.5Confident69.7Low149 Ų149131.9 Ų131.976%0.76468%0.684SS**SBendtrans-69.4-27.2-179.6-57.5171.7000110.8R179I177-R179 PolarHBondContact O-N 2.85Å
178T73.8Confident69.4Low112 Ų112130.6 Ų130.669%0.68768%0.676SS**SBendtrans-79.2116.8178.747.20000110.6P176P176-T178 PolarHBondContact O-N 3.32Å
179R58Low69.6Low234 Ų234124.7 Ų124.788%0.88367%0.668SS**PPolyproline II helixtrans-71.6130.7162.5-69.3-175.6-174.51762.5107.9I177 T181I177-R179 PolarHBondContact O-N 2.85Å; R179-T181 PolarHBondContact O-N 3.4Å
180P54.3Low70.2Confident74 Ų74130.1 Ų130.148%0.48169%0.693SS.*PPolyproline II helixtrans-74.2126.817711.82.7000108.4K103K103-P180 HydrophobicContact CB-CG 4.23Å; K103-P180 HydrophobicContact CD-CB 3.65Å; K103-P180 HydrophobicContact CD-CG 3.26Å; K103-P180 HydrophobicContact CG-CG 4.38Å; K103-P180 VanDerWaalsContact NZ-CB 3.25Å
181T44.6Very low71.2Confident207 Ų207128.2 Ų128.2100%1.2768%0.682SS**  trans-63.70159.250.40000110.5R179R179-T181 PolarHBondContact O-N 3.4Å

Retrieved 181 of 181 residues in 122.7 ms (Link to these results)

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