A0A077ZQ52_TRITR Loading...

ARPC4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZQ52, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 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
1M66.7Low88.8Confident203 Ų203126.5 Ų126.5100%162%0.623SS**  0-45.10-72.2-154.7-63.700114.4K3 H4M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.42Å; M1-H4 PolarHBondContact O-N 3.36Å
2L75Confident89.4Confident148 Ų148121.7 Ų121.778%0.77561%0.606SS**Hα-helixtrans-61.6-36.6-179.1-67.8169.6000114.2H4 K5 L6L2-H4 PolarHBondContact O-N 3.1Å; L2-K5 PolarHBondContact O-N 2.86Å; L2-L6 PolarHBondContact O-N 3.43Å; L2-L6 VanDerWaalsContact O-N 3.1Å
3K83.1Confident90Very high178 Ų178120.4 Ų120.477%0.77460%0.595SS**Hα-helixtrans-58.9-43.4179.4-67.9-172.9177.4-176.60113M1 L6 V7M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.42Å; K3-L6 PolarHBondContact O-N 2.79Å; K3-V7 WeakPolarHBondContact O-CG2 3.45Å; K3-V7 PolarHBondContact O-N 3.44Å
4H89.7Confident90.6Very high136 Ų136120.8 Ų120.863%0.6360%0.596SS**Hα-helixtrans-65.2-45.8179.1-66.6-67.9000111.7M1 L2 L6 V7 D8M1-H4 PolarHBondContact O-N 3.36Å; L2-H4 PolarHBondContact O-N 3.1Å; H4-L6 VanDerWaalsContact C-N 3.26Å; H4-L6 PolarHBondContact O-N 3.37Å; H4-V7 PolarHBondContact O-N 3.1Å; H4-V7 VanDerWaalsContact O-N 3.1Å; H4-D8 PolarHBondContact O-N 3.25Å
5K91.8Very high91.1Very high159 Ų159120.4 Ų120.469%0.69159%0.593SS**Hα-helixtrans-57.7-38.2175.9-70.8-168.8174.1-171.80113.1L2 F9L2-K5 PolarHBondContact O-N 2.86Å; K5-F9 WeakPolarHBondContact O-CB 3.25Å; K5-F9 PolarHBondContact O-N 3.19Å
6L93.3Very high91.5Very high115 Ų115119.1 Ų119.160%0.60259%0.585SS**Hα-helixtrans-68.8-43176.9-176.165.9000111.6L2 K3 H4 F9 V10L2-L6 PolarHBondContact O-N 3.43Å; L2-L6 VanDerWaalsContact O-N 3.1Å; K3-L6 PolarHBondContact O-N 2.79Å; H4-L6 VanDerWaalsContact C-N 3.26Å; H4-L6 PolarHBondContact O-N 3.37Å; L6-F9 PolarHBondContact O-N 2.97Å; L6-V10 WeakPolarHBondContact O-CG2 3.34Å; L6-V10 PolarHBondContact O-N 3.37Å
7V94.9Very high91.9Very high81 Ų81115.6 Ų115.649%0.49157%0.568SS.*Hα-helixtrans-62.5-46176.7172.20000110.6K3 H4 F9 V10 I11K3-V7 WeakPolarHBondContact O-CG2 3.45Å; K3-V7 PolarHBondContact O-N 3.44Å; H4-V7 PolarHBondContact O-N 3.1Å; H4-V7 VanDerWaalsContact O-N 3.1Å; V7-F9 VanDerWaalsContact C-N 3.3Å; V7-F9 PolarHBondContact O-N 3.48Å; V7-V10 PolarHBondContact O-N 3.05Å; V7-I11 HydrophobicContact CG1-CD1 3.75Å; V7-I11 HydrophobicContact CG1-CG1 4.41Å; V7-I11 VanDerWaalsContact O-CG1 3.32Å; V7-I11 WeakPolarHBondContact O-CG1 3.32Å; V7-I11 PolarHBondContact O-N 3.05Å
8D94.5Very high92.2Very high92 Ų92114.9 Ų114.949%0.49257%0.567SS.*Hα-helixtrans-62-37.9178-62-23.4000112H4 T12H4-D8 PolarHBondContact O-N 3.25Å; D8-T12 WeakPolarHBondContact O-CB 3.45Å; D8-T12 PolarHBondContact O-N 2.94Å; D8-T12 PolarHBondContact O-OG1 3.35Å
9F95.2Very high92.5Very high134 Ų134116.8 Ų116.859%0.58857%0.567SS**Hα-helixtrans-63.9-47.3173.8172.3-98.9000111.8K5 L6 V7 I11 T12 F13K5-F9 WeakPolarHBondContact O-CB 3.25Å; K5-F9 PolarHBondContact O-N 3.19Å; L6-F9 PolarHBondContact O-N 2.97Å; V7-F9 VanDerWaalsContact C-N 3.3Å; V7-F9 PolarHBondContact O-N 3.48Å; F9-I11 VanDerWaalsContact C-N 3.35Å; F9-I11 PolarHBondContact O-N 2.89Å; F9-T12 PolarHBondContact O-N 3.04Å; F9-F13 VanDerWaalsContact O-CB 3.25Å; F9-F13 WeakPolarHBondContact O-CB 3.36Å; F9-F13 PolarHBondContact O-N 3.39Å
10V96.1Very high92.8Very high65 Ų65116.4 Ų116.439%0.39456%0.564SS.*Hα-helixtrans-64.3-40.9-179.81720000111.1L6 V7 F13 M14L6-V10 WeakPolarHBondContact O-CG2 3.34Å; L6-V10 PolarHBondContact O-N 3.37Å; V7-V10 PolarHBondContact O-N 3.05Å; V10-F13 PolarHBondContact O-N 3.41Å; V10-M14 HydrophobicContact CG1-CG 4.35Å; V10-M14 HydrophobicContact CG1-SD 4.03Å; V10-M14 WeakPolarHBondContact O-CB 3.34Å; V10-M14 VanDerWaalsContact O-CG 3.28Å; V10-M14 WeakPolarHBondContact O-CG 3.44Å; V10-M14 PolarHBondContact O-N 3.45Å
11I96.4Very high93Very high81 Ų81114.4 Ų114.442%0.41556%0.556SS.*Hα-helixtrans-61.4-54176.9-67.6166.9000110V7 F9 F13 M14 E15V7-I11 HydrophobicContact CG1-CD1 3.75Å; V7-I11 HydrophobicContact CG1-CG1 4.41Å; V7-I11 VanDerWaalsContact O-CG1 3.32Å; V7-I11 WeakPolarHBondContact O-CG1 3.32Å; V7-I11 PolarHBondContact O-N 3.05Å; F9-I11 VanDerWaalsContact C-N 3.35Å; F9-I11 PolarHBondContact O-N 2.89Å; I11-F13 VanDerWaalsContact C-N 3.28Å; I11-F13 PolarHBondContact O-N 2.96Å; I11-M14 PolarHBondContact O-N 3.28Å; I11-M14 VanDerWaalsContact O-N 3.12Å; I11-E15 WeakPolarHBondContact O-CG 3.22Å; I11-E15 PolarHBondContact O-N 3.48Å
12T95.9Very high94.5Very high68 Ų68107 Ų10742%0.41752%0.524SS..Hα-helixtrans-55.9-44.8178.5-52.70000111.3D8 F9 M14 E15 E16D8-T12 WeakPolarHBondContact O-CB 3.45Å; D8-T12 PolarHBondContact O-N 2.94Å; D8-T12 PolarHBondContact O-OG1 3.35Å; F9-T12 PolarHBondContact O-N 3.04Å; T12-M14 PolarHBondContact O-N 2.99Å; T12-E15 PolarHBondContact O-N 3.12Å; T12-E16 WeakPolarHBondContact O-CG 3.28Å; T12-E16 PolarHBondContact O-N 3.31Å
13F97.5Very high95.6Very high105 Ų105105.4 Ų105.446%0.46151%0.513SS..Hα-helixtrans-62.3-43.6178178.7-105.2000112.3F9 V10 I11 E15 E16 I17F9-F13 VanDerWaalsContact O-CB 3.25Å; F9-F13 WeakPolarHBondContact O-CB 3.36Å; F9-F13 PolarHBondContact O-N 3.39Å; V10-F13 PolarHBondContact O-N 3.41Å; I11-F13 VanDerWaalsContact C-N 3.28Å; I11-F13 PolarHBondContact O-N 2.96Å; F13-E15 VanDerWaalsContact C-N 3.32Å; F13-E15 PolarHBondContact O-N 2.9Å; F13-E16 PolarHBondContact O-N 3.44Å; F13-I17 HydrophobicContact CD1-CG1 4.29Å; F13-I17 HydrophobicContact CD2-CG1 4.17Å; F13-I17 HydrophobicContact CE1-CG1 3.9Å; F13-I17 HydrophobicContact CE2-CD1 3.93Å; F13-I17 HydrophobicContact CE2-CG1 3.77Å; F13-I17 HydrophobicContact CG-CG1 4.42Å; F13-I17 HydrophobicContact CZ-CD1 3.88Å; F13-I17 HydrophobicContact CZ-CG1 3.63Å; F13-I17 WeakPolarHBondContact O-CB 3.46Å; F13-I17 VanDerWaalsContact O-CG1 3.22Å; F13-I17 WeakPolarHBondContact O-CG1 3.42Å; F13-I17 PolarHBondContact O-N 3.12Å
14M97.8Very high96.3Very high126 Ų126102 Ų10262%0.62150%0.502SS*.Hα-helixtrans-63.1-38.7176.8-74.9-179.467.200112.1V10 I11 T12 D18V10-M14 HydrophobicContact CG1-CG 4.35Å; V10-M14 HydrophobicContact CG1-SD 4.03Å; V10-M14 WeakPolarHBondContact O-CB 3.34Å; V10-M14 VanDerWaalsContact O-CG 3.28Å; V10-M14 WeakPolarHBondContact O-CG 3.44Å; V10-M14 PolarHBondContact O-N 3.45Å; I11-M14 PolarHBondContact O-N 3.28Å; I11-M14 VanDerWaalsContact O-N 3.12Å; T12-M14 PolarHBondContact O-N 2.99Å; M14-D18 WeakPolarHBondContact O-CB 3.49Å; M14-D18 PolarHBondContact O-N 2.91Å
15E97.9Very high96.7Very high115 Ų115101.2 Ų101.254%0.53750%0.497SS..Hα-helixtrans-67.8-41.3177.3-70.3177.6174.700112.6I11 T12 F13 R19I11-E15 WeakPolarHBondContact O-CG 3.22Å; I11-E15 PolarHBondContact O-N 3.48Å; T12-E15 PolarHBondContact O-N 3.12Å; F13-E15 VanDerWaalsContact C-N 3.32Å; F13-E15 PolarHBondContact O-N 2.9Å; E15-R19 WeakPolarHBondContact O-CB 3.25Å; E15-R19 PolarHBondContact O-N 2.97Å; E15-R19 VanDerWaalsContact O-N 3.12Å
16E98.1Very high97Very high100 Ų10099.3 Ų99.347%0.46749%0.494SS..Hα-helixtrans-63.6-47.3175.2-73.9177.4175.400111.1T12 F13 D18 R19 E20T12-E16 WeakPolarHBondContact O-CG 3.28Å; T12-E16 PolarHBondContact O-N 3.31Å; F13-E16 PolarHBondContact O-N 3.44Å; E16-D18 PolarHBondContact O-N 3.33Å; E16-R19 WeakPolarHBondContact O-CB 3.36Å; E16-R19 PolarHBondContact O-N 3.41Å; E16-E20 WeakPolarHBondContact O-CG 3.42Å; E16-E20 PolarHBondContact O-N 2.92Å
17I98.2Very high97.1Very high59 Ų5998.1 Ų98.130%0.30349%0.492SS..Hα-helixtrans-63.8-42178.5-67.8-66.4000111.8F13 R19 E20 I21F13-I17 HydrophobicContact CD1-CG1 4.29Å; F13-I17 HydrophobicContact CD2-CG1 4.17Å; F13-I17 HydrophobicContact CE1-CG1 3.9Å; F13-I17 HydrophobicContact CE2-CD1 3.93Å; F13-I17 HydrophobicContact CE2-CG1 3.77Å; F13-I17 HydrophobicContact CG-CG1 4.42Å; F13-I17 HydrophobicContact CZ-CD1 3.88Å; F13-I17 HydrophobicContact CZ-CG1 3.63Å; F13-I17 WeakPolarHBondContact O-CB 3.46Å; F13-I17 VanDerWaalsContact O-CG1 3.22Å; F13-I17 WeakPolarHBondContact O-CG1 3.42Å; F13-I17 PolarHBondContact O-N 3.12Å; I17-R19 VanDerWaalsContact C-N 3.28Å; I17-R19 PolarHBondContact O-N 3.25Å; I17-E20 PolarHBondContact O-N 3.48Å; I17-I21 HydrophobicContact CG2-CD1 3.59Å; I17-I21 HydrophobicContact CG2-CG1 4.25Å; I17-I21 WeakPolarHBondContact O-CB 3.44Å; I17-I21 VanDerWaalsContact O-CG1 3.24Å; I17-I21 WeakPolarHBondContact O-CG1 3.45Å; I17-I21 PolarHBondContact O-N 2.91Å
18D97.7Very high97.3Very high104 Ų10499.9 Ų99.956%0.55650%0.498SS*.Hα-helixtrans-63.4-37.1177.8-171.853000111.8M14 E16 S22M14-D18 WeakPolarHBondContact O-CB 3.49Å; M14-D18 PolarHBondContact O-N 2.91Å; E16-D18 PolarHBondContact O-N 3.33Å; D18-S22 VanDerWaalsContact O-CB 3.25Å; D18-S22 WeakPolarHBondContact O-CB 3.46Å; D18-S22 PolarHBondContact O-N 3.13Å; D18-S22 PolarHBondContact O-OG 3.42Å
19R97.6Very high97.4Very high150 Ų150102 Ų10257%0.56650%0.502SS*.Hα-helixtrans-65.3-50.7174-169.5-174.4-53.6161.48.7111.7E15 E16 I17 I21 S22 E23E15-R19 WeakPolarHBondContact O-CB 3.25Å; E15-R19 PolarHBondContact O-N 2.97Å; E15-R19 VanDerWaalsContact O-N 3.12Å; E16-R19 WeakPolarHBondContact O-CB 3.36Å; E16-R19 PolarHBondContact O-N 3.41Å; I17-R19 VanDerWaalsContact C-N 3.28Å; I17-R19 PolarHBondContact O-N 3.25Å; R19-I21 VanDerWaalsContact C-N 3.34Å; R19-I21 PolarHBondContact O-N 2.82Å; R19-S22 WeakPolarHBondContact O-CB 3.43Å; R19-S22 PolarHBondContact O-N 2.99Å; R19-S22 VanDerWaalsContact O-N 3.13Å; R19-E23 WeakPolarHBondContact O-CG 3.43Å; R19-E23 PolarHBondContact O-N 3.13Å
20E98Very high97.6Very high109 Ų10998.3 Ų98.351%0.50950%0.497SS..Hα-helixtrans-58.7-45.4178.9-74.5-176.6-178.900111.6E16 I17 S22 E23 L24E16-E20 WeakPolarHBondContact O-CG 3.42Å; E16-E20 PolarHBondContact O-N 2.92Å; I17-E20 PolarHBondContact O-N 3.48Å; E20-S22 VanDerWaalsContact C-N 3.3Å; E20-S22 PolarHBondContact O-N 3.37Å; E20-E23 PolarHBondContact O-N 3.41Å; E20-L24 WeakPolarHBondContact O-CB 3.3Å; E20-L24 VanDerWaalsContact O-CG 3.3Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 2.95Å
21I98Very high97.6Very high74 Ų74103.4 Ų103.438%0.37951%0.509SS..Hα-helixtrans-62.6-40.3177.2-70.2171.9000110.7I17 R19 L24 K25I17-I21 HydrophobicContact CG2-CD1 3.59Å; I17-I21 HydrophobicContact CG2-CG1 4.25Å; I17-I21 WeakPolarHBondContact O-CB 3.44Å; I17-I21 VanDerWaalsContact O-CG1 3.24Å; I17-I21 WeakPolarHBondContact O-CG1 3.45Å; I17-I21 PolarHBondContact O-N 2.91Å; R19-I21 VanDerWaalsContact C-N 3.34Å; R19-I21 PolarHBondContact O-N 2.82Å; I21-L24 PolarHBondContact O-N 3.33Å; I21-K25 HydrophobicContact CG2-CD 4.14Å; I21-K25 WeakPolarHBondContact O-CB 3.32Å; I21-K25 VanDerWaalsContact O-CG 3.28Å; I21-K25 WeakPolarHBondContact O-CG 3.39Å; I21-K25 PolarHBondContact O-N 3.25Å
22S97.9Very high97.7Very high49 Ų49101.5 Ų101.534%0.34351%0.509SS..Hα-helixtrans-65.2-42.5178.3-67.80000112.1D18 R19 E20 K25 L26D18-S22 VanDerWaalsContact O-CB 3.25Å; D18-S22 WeakPolarHBondContact O-CB 3.46Å; D18-S22 PolarHBondContact O-N 3.13Å; D18-S22 PolarHBondContact O-OG 3.42Å; R19-S22 WeakPolarHBondContact O-CB 3.43Å; R19-S22 PolarHBondContact O-N 2.99Å; R19-S22 VanDerWaalsContact O-N 3.13Å; E20-S22 VanDerWaalsContact C-N 3.3Å; E20-S22 PolarHBondContact O-N 3.37Å; S22-K25 PolarHBondContact O-N 2.91Å; S22-L26 WeakPolarHBondContact O-CG 3.28Å; S22-L26 PolarHBondContact O-N 3.39Å; S22-L26 VanDerWaalsContact O-N 3.13Å
23E97.8Very high97.8Very high113 Ų113106.5 Ų106.553%0.52852%0.52SS..Hα-helixtrans-65.1-42.6175.1-73.2179-17000112.4R19 E20 K25 L26 T27R19-E23 WeakPolarHBondContact O-CG 3.43Å; R19-E23 PolarHBondContact O-N 3.13Å; E20-E23 PolarHBondContact O-N 3.41Å; E23-K25 PolarHBondContact O-N 2.89Å; E23-L26 PolarHBondContact O-N 3.47Å; E23-T27 WeakPolarHBondContact O-CB 3.32Å; E23-T27 PolarHBondContact O-N 3.46Å; E23-T27 PolarHBondContact O-OG1 3.48Å
24L98Very high97.8Very high106 Ų106107.5 Ų107.556%0.55553%0.525SS*.Hα-helixtrans-61.8-42.1175.4-74.1172.7000111.7E20 I21 L26 T27 L28E20-L24 WeakPolarHBondContact O-CB 3.3Å; E20-L24 VanDerWaalsContact O-CG 3.3Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 2.95Å; I21-L24 PolarHBondContact O-N 3.33Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L24-L26 PolarHBondContact O-N 2.94Å; L24-T27 PolarHBondContact O-N 2.97Å; L24-L28 WeakPolarHBondContact O-CB 3.44Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.92Å
25K97.8Very high97.8Very high121 Ų121106.2 Ų106.253%0.52652%0.519SS..Hα-helixtrans-59.9-43.3175.5-77.7169.8-178.7168.20111.9I21 S22 E23 K29I21-K25 HydrophobicContact CG2-CD 4.14Å; I21-K25 WeakPolarHBondContact O-CB 3.32Å; I21-K25 VanDerWaalsContact O-CG 3.28Å; I21-K25 WeakPolarHBondContact O-CG 3.39Å; I21-K25 PolarHBondContact O-N 3.25Å; S22-K25 PolarHBondContact O-N 2.91Å; E23-K25 PolarHBondContact O-N 2.89Å; K25-K29 WeakPolarHBondContact O-CG 3.46Å; K25-K29 PolarHBondContact O-N 2.94Å; K25-K29 VanDerWaalsContact O-N 3.11Å
26L97.4Very high97.7Very high119 Ų119103 Ų10362%0.62351%0.513SS*.Hα-helixtrans-65.6-45.3177.7-69.9173.9000111.3S22 E23 L24 L28 K29 A30S22-L26 WeakPolarHBondContact O-CG 3.28Å; S22-L26 PolarHBondContact O-N 3.39Å; S22-L26 VanDerWaalsContact O-N 3.13Å; E23-L26 PolarHBondContact O-N 3.47Å; L24-L26 VanDerWaalsContact C-N 3.35Å; L24-L26 PolarHBondContact O-N 2.94Å; L26-L28 PolarHBondContact O-N 3.45Å; L26-K29 PolarHBondContact O-N 3.27Å; L26-A30 PolarHBondContact O-N 2.89Å
27T97.4Very high97.7Very high90 Ų90103.5 Ų103.555%0.55252%0.515SS*.Hα-helixtrans-60.7-44.8178.6-58.70000111.8E23 L24 K29 A30 R31E23-T27 WeakPolarHBondContact O-CB 3.32Å; E23-T27 PolarHBondContact O-N 3.46Å; E23-T27 PolarHBondContact O-OG1 3.48Å; L24-T27 PolarHBondContact O-N 2.97Å; T27-K29 PolarHBondContact O-N 3.25Å; T27-A30 PolarHBondContact O-N 3.33Å; T27-R31 WeakPolarHBondContact O-CB 3.48Å; T27-R31 PolarHBondContact O-N 3.11Å
28L97.8Very high97.6Very high118 Ų118103.6 Ų103.662%0.61851%0.514SS*.Hα-helixtrans-63.2-41.8176.7-74.8172.4000112.2L24 L26 R31 G32L24-L28 WeakPolarHBondContact O-CB 3.44Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.92Å; L26-L28 PolarHBondContact O-N 3.45Å; L28-R31 PolarHBondContact O-N 2.88Å; L28-G32 PolarHBondContact O-N 3.38Å
29K97.3Very high97.5Very high136 Ų136104.9 Ų104.959%0.59152%0.515SS*.Hα-helixtrans-63.1-43.6175.5-74.6176.8-177.8-178.50111.9K25 L26 T27 R31 G32 R33K25-K29 WeakPolarHBondContact O-CG 3.46Å; K25-K29 PolarHBondContact O-N 2.94Å; K25-K29 VanDerWaalsContact O-N 3.11Å; L26-K29 PolarHBondContact O-N 3.27Å; T27-K29 PolarHBondContact O-N 3.25Å; K29-R31 VanDerWaalsContact C-N 3.34Å; K29-G32 PolarHBondContact O-N 3.46Å; K29-R33 WeakPolarHBondContact O-CG 3.45Å; K29-R33 PolarHBondContact O-N 3.04Å
30A98.1Very high97.4Very high57 Ų57102.8 Ų102.847%0.47151%0.514SS..Hα-helixtrans-61.2-44.5176.700000111.3L26 T27 G32 R33 F34L26-A30 PolarHBondContact O-N 2.89Å; T27-A30 PolarHBondContact O-N 3.33Å; A30-G32 PolarHBondContact O-N 3.04Å; A30-R33 PolarHBondContact O-N 3.27Å; A30-F34 PolarHBondContact O-N 3.49Å
31R97.5Very high97.3Very high172 Ų172102.3 Ų102.365%0.64951%0.511SS*.Hα-helixtrans-61.9-41.5174.8-174.2175178.4168.8-0112.4T27 L28 K29 R33 F34 I35T27-R31 WeakPolarHBondContact O-CB 3.48Å; T27-R31 PolarHBondContact O-N 3.11Å; L28-R31 PolarHBondContact O-N 2.88Å; K29-R31 VanDerWaalsContact C-N 3.34Å; R31-R33 VanDerWaalsContact C-N 3.32Å; R31-R33 PolarHBondContact O-N 2.9Å; R31-F34 PolarHBondContact O-N 3.07Å; R31-I35 HydrophobicContact CG-CD1 4Å; R31-I35 WeakPolarHBondContact O-CG1 3.35Å; R31-I35 PolarHBondContact O-N 3.02Å
32G98.1Very high97.1Very high40 Ų40107.3 Ų107.341%0.41253%0.525SS..Hα-helixtrans-59.4-41.5175.600000112.6L28 K29 A30 A36L28-G32 PolarHBondContact O-N 3.38Å; K29-G32 PolarHBondContact O-N 3.46Å; A30-G32 PolarHBondContact O-N 3.04Å; G32-A36 WeakPolarHBondContact O-CB 3.42Å; G32-A36 PolarHBondContact O-N 3.32Å
33R97.2Very high96.9Very high174 Ų174108.3 Ų108.366%0.65753%0.528SS*.Hα-helixtrans-63.6-47.7175.1-69.1176.2-174174.20.4111.9K29 A30 R31 I35 A36 E37K29-R33 WeakPolarHBondContact O-CG 3.45Å; K29-R33 PolarHBondContact O-N 3.04Å; A30-R33 PolarHBondContact O-N 3.27Å; R31-R33 VanDerWaalsContact C-N 3.32Å; R31-R33 PolarHBondContact O-N 2.9Å; R33-I35 VanDerWaalsContact C-N 3.33Å; R33-I35 PolarHBondContact O-N 3.16Å; R33-A36 PolarHBondContact O-N 3.38Å; R33-A36 VanDerWaalsContact O-N 3.16Å; R33-E37 WeakPolarHBondContact O-CG 3.34Å; R33-E37 PolarHBondContact O-N 3.45Å
34F97.6Very high96.7Very high126 Ų126110.2 Ų110.255%0.55353%0.531SS*.Hα-helixtrans-57.5-45.8178.4179-97.5000112.2A30 R31 A36 E37 E38A30-F34 PolarHBondContact O-N 3.49Å; R31-F34 PolarHBondContact O-N 3.07Å; F34-A36 VanDerWaalsContact C-N 3.35Å; F34-A36 PolarHBondContact O-N 3.45Å; F34-E37 PolarHBondContact O-N 3Å; F34-E38 HydrophobicContact CD1-CG 4.42Å; F34-E38 HydrophobicContact CE1-CG 3.95Å; F34-E38 HydrophobicContact CE2-CG 4.21Å; F34-E38 HydrophobicContact CZ-CG 3.84Å; F34-E38 WeakPolarHBondContact O-CG 3.35Å; F34-E38 PolarHBondContact O-N 2.94Å
35I97.9Very high96.4Very high98 Ų98110 Ų11050%0.50353%0.53SS..Hα-helixtrans-63-42.6177.8-66.5168000111.1R31 R33 E38 F39R31-I35 HydrophobicContact CG-CD1 4Å; R31-I35 WeakPolarHBondContact O-CG1 3.35Å; R31-I35 PolarHBondContact O-N 3.02Å; R33-I35 VanDerWaalsContact C-N 3.33Å; R33-I35 PolarHBondContact O-N 3.16Å; I35-E38 PolarHBondContact O-N 2.91Å; I35-F39 WeakPolarHBondContact O-CB 3.46Å; I35-F39 PolarHBondContact O-N 2.74Å
36A97.3Very high95.8Very high49 Ų49108.6 Ų108.641%0.40553%0.532SS..Hα-helixtrans-63.5-42.3177.900000111.9G32 R33 F34 F39 L40G32-A36 WeakPolarHBondContact O-CB 3.42Å; G32-A36 PolarHBondContact O-N 3.32Å; R33-A36 PolarHBondContact O-N 3.38Å; R33-A36 VanDerWaalsContact O-N 3.16Å; F34-A36 VanDerWaalsContact C-N 3.35Å; F34-A36 PolarHBondContact O-N 3.45Å; A36-F39 PolarHBondContact O-N 3.37Å; A36-L40 WeakPolarHBondContact O-CB 3.33Å; A36-L40 VanDerWaalsContact O-CG 3.25Å; A36-L40 WeakPolarHBondContact O-CG 3.38Å; A36-L40 PolarHBondContact O-N 2.92Å
37E97.3Very high95.4Very high109 Ų109104.9 Ų104.951%0.50952%0.518SS..Hα-helixtrans-61.8-47.7176-73.7173.9-165.800111.8R33 F34 F39 L40 K41R33-E37 WeakPolarHBondContact O-CG 3.34Å; R33-E37 PolarHBondContact O-N 3.45Å; F34-E37 PolarHBondContact O-N 3Å; E37-F39 VanDerWaalsContact C-N 3.35Å; E37-F39 PolarHBondContact O-N 3.34Å; E37-L40 PolarHBondContact O-N 3.46Å; E37-K41 WeakPolarHBondContact O-CG 3.45Å; E37-K41 PolarHBondContact O-N 3.25Å
38E96.8Very high94.9Very high62 Ų62105.8 Ų105.829%0.2952%0.516SS..Hα-helixtrans-64.2-38.5178.1-73.1-58.8121.500112.6F34 I35 K41 R42F34-E38 HydrophobicContact CD1-CG 4.42Å; F34-E38 HydrophobicContact CE1-CG 3.95Å; F34-E38 HydrophobicContact CE2-CG 4.21Å; F34-E38 HydrophobicContact CZ-CG 3.84Å; F34-E38 WeakPolarHBondContact O-CG 3.35Å; F34-E38 PolarHBondContact O-N 2.94Å; I35-E38 PolarHBondContact O-N 2.91Å; E38-K41 IonicContact OE1-NZ 2.74Å; E38-K41 PolarHBondContact OE1-NZ 3.43Å; E38-R42 WeakPolarHBondContact O-CG 3.47Å; E38-R42 PolarHBondContact O-N 3.11Å
39F95.7Very high94.1Very high131 Ų131101.8 Ų101.858%0.57550%0.503SS*.Hα-helixtrans-63.2-47.8173.8177.3-99000111.6I35 A36 E37 K41 R42 V43I35-F39 WeakPolarHBondContact O-CB 3.46Å; I35-F39 PolarHBondContact O-N 2.74Å; A36-F39 PolarHBondContact O-N 3.37Å; E37-F39 VanDerWaalsContact C-N 3.35Å; E37-F39 PolarHBondContact O-N 3.34Å; F39-K41 VanDerWaalsContact C-N 3.34Å; F39-K41 PolarHBondContact O-N 3.3Å; F39-R42 PolarHBondContact O-N 3.44Å; F39-V43 HydrophobicContact CD1-CG2 4.22Å; F39-V43 HydrophobicContact CE1-CG2 3.76Å; F39-V43 HydrophobicContact CE2-CG2 4.27Å; F39-V43 HydrophobicContact CZ-CG2 3.79Å; F39-V43 WeakPolarHBondContact O-CG2 3.25Å; F39-V43 PolarHBondContact O-N 2.93Å
40L95.2Very high93.2Very high105 Ų10599.3 Ų99.355%0.5550%0.495SS..Hα-helixtrans-66.6-33.6-178.9-72.1174000112.8A36 E37 V43 R44A36-L40 WeakPolarHBondContact O-CB 3.33Å; A36-L40 VanDerWaalsContact O-CG 3.25Å; A36-L40 WeakPolarHBondContact O-CG 3.38Å; A36-L40 PolarHBondContact O-N 2.92Å; E37-L40 PolarHBondContact O-N 3.46Å; L40-V43 PolarHBondContact O-N 3.44Å; L40-R44 WeakPolarHBondContact O-CB 3.35Å; L40-R44 PolarHBondContact O-N 3.06Å
41K95.7Very high92.3Very high100 Ų100101 Ų10144%0.43550%0.495SS..Hα-helixtrans-58.6-50.3171.4-74.8173.5-169.5169.40111E37 E38 F39 V43 R44 D45E37-K41 WeakPolarHBondContact O-CG 3.45Å; E37-K41 PolarHBondContact O-N 3.25Å; E38-K41 IonicContact OE1-NZ 2.74Å; E38-K41 PolarHBondContact OE1-NZ 3.43Å; F39-K41 VanDerWaalsContact C-N 3.34Å; F39-K41 PolarHBondContact O-N 3.3Å; K41-V43 VanDerWaalsContact C-N 3.33Å; K41-V43 PolarHBondContact O-N 3.3Å; K41-R44 WeakPolarHBondContact O-CB 3.39Å; K41-R44 PolarHBondContact O-N 3.47Å; K41-R44 VanDerWaalsContact O-N 3.11Å; K41-D45 VanDerWaalsContact O-CG 3.23Å; K41-D45 PolarHBondContact O-N 2.93Å
42R93.8Very high91.5Very high178 Ų17895.7 Ų95.767%0.67249%0.489SS*.Hα-helixtrans-60.7-42178.6-67177-176.1-163.8-0.1112.6E38 F39 R44 D45 V46E38-R42 WeakPolarHBondContact O-CG 3.47Å; E38-R42 PolarHBondContact O-N 3.11Å; F39-R42 PolarHBondContact O-N 3.44Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-D45 PolarHBondContact O-N 3.5Å; R42-V46 WeakPolarHBondContact O-CG2 3.39Å; R42-V46 PolarHBondContact O-N 3.01Å; R42-V46 VanDerWaalsContact O-N 3.1Å
43V92.8Very high90.4Very high70 Ų70101.9 Ų101.942%0.42450%0.504SS..Hα-helixtrans-63.2-41.5176.4172.60000110.8F39 L40 K41 V46 A47F39-V43 HydrophobicContact CD1-CG2 4.22Å; F39-V43 HydrophobicContact CE1-CG2 3.76Å; F39-V43 HydrophobicContact CE2-CG2 4.27Å; F39-V43 HydrophobicContact CZ-CG2 3.79Å; F39-V43 WeakPolarHBondContact O-CG2 3.25Å; F39-V43 PolarHBondContact O-N 2.93Å; L40-V43 PolarHBondContact O-N 3.44Å; K41-V43 VanDerWaalsContact C-N 3.33Å; K41-V43 PolarHBondContact O-N 3.3Å; V43-V46 PolarHBondContact O-N 3.41Å; V43-A47 VanDerWaalsContact O-CB 3.29Å; V43-A47 WeakPolarHBondContact O-CB 3.45Å; V43-A47 PolarHBondContact O-N 2.78Å
44R93.1Very high89.1Confident154 Ų154102.7 Ų102.758%0.58151%0.508SS*.Hα-helixtrans-60.3-50.1175.2-176.3-168.8-57.1-168.30.2111.2L40 K41 R42 V46 A47 E48L40-R44 WeakPolarHBondContact O-CB 3.35Å; L40-R44 PolarHBondContact O-N 3.06Å; K41-R44 WeakPolarHBondContact O-CB 3.39Å; K41-R44 PolarHBondContact O-N 3.47Å; K41-R44 VanDerWaalsContact O-N 3.11Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R44-V46 VanDerWaalsContact C-N 3.29Å; R44-V46 PolarHBondContact O-N 3.1Å; R44-A47 PolarHBondContact O-N 3.34Å; R44-A47 VanDerWaalsContact O-N 3.1Å; R44-E48 WeakPolarHBondContact CD-OE1 3.27Å; R44-E48 HydrophobicContact CG-CG 4.17Å; R44-E48 VanDerWaalsContact CG-OE1 3.27Å; R44-E48 WeakPolarHBondContact CG-OE1 3.21Å; R44-E48 WeakPolarHBondContact O-CB 3.44Å; R44-E48 WeakPolarHBondContact O-CG 3.35Å; R44-E48 PolarHBondContact O-N 2.91Å
45D91.6Very high87.9Confident100 Ų100105.3 Ų105.354%0.53552%0.516SS..Hα-helixtrans-60.2-41.5-177.8-60.2-20.9000111.5K41 R42 G49K41-D45 VanDerWaalsContact O-CG 3.23Å; K41-D45 PolarHBondContact O-N 2.93Å; R42-D45 PolarHBondContact O-N 3.5Å; D45-G49 PolarHBondContact O-N 3.1Å
46V86.8Confident86.7Confident93 Ų93103.5 Ų103.556%0.56451%0.507SS*.Hα-helixtrans-65.2-45.5174.81730000111.1R42 V43 R44 G49 I50R42-V46 WeakPolarHBondContact O-CG2 3.39Å; R42-V46 PolarHBondContact O-N 3.01Å; R42-V46 VanDerWaalsContact O-N 3.1Å; V43-V46 PolarHBondContact O-N 3.41Å; R44-V46 VanDerWaalsContact C-N 3.29Å; R44-V46 PolarHBondContact O-N 3.1Å; V46-G49 PolarHBondContact O-N 3.44Å; V46-I50 HydrophobicContact CG1-CD1 3.98Å; V46-I50 WeakPolarHBondContact O-CG1 3.26Å; V46-I50 PolarHBondContact O-N 3.23Å
47A87.7Confident85.2Confident40 Ų40106.2 Ų106.233%0.33152%0.519SS..Hα-helixtrans-63.3-43.7179.100000111.8V43 R44 G49 I50 I51V43-A47 VanDerWaalsContact O-CB 3.29Å; V43-A47 WeakPolarHBondContact O-CB 3.45Å; V43-A47 PolarHBondContact O-N 2.78Å; R44-A47 PolarHBondContact O-N 3.34Å; R44-A47 VanDerWaalsContact O-N 3.1Å; A47-G49 VanDerWaalsContact C-N 3.32Å; A47-G49 PolarHBondContact O-N 2.85Å; A47-I50 PolarHBondContact O-N 3.39Å; A47-I51 WeakPolarHBondContact O-CB 3.38Å; A47-I51 WeakPolarHBondContact O-CG1 3.38Å; A47-I51 PolarHBondContact O-N 3.46Å
48E87.2Confident83.9Confident110 Ų110103.7 Ų103.751%0.51452%0.517SS..Hα-helixtrans-60.6-41.4175.1-74.3178.8-174.900111.1R44 I51 A52R44-E48 WeakPolarHBondContact CD-OE1 3.27Å; R44-E48 HydrophobicContact CG-CG 4.17Å; R44-E48 VanDerWaalsContact CG-OE1 3.27Å; R44-E48 WeakPolarHBondContact CG-OE1 3.21Å; R44-E48 WeakPolarHBondContact O-CB 3.44Å; R44-E48 WeakPolarHBondContact O-CG 3.35Å; R44-E48 PolarHBondContact O-N 2.91Å; E48-I51 PolarHBondContact O-N 2.98Å; E48-A52 VanDerWaalsContact O-CB 3.26Å; E48-A52 WeakPolarHBondContact O-CB 3.29Å; E48-A52 PolarHBondContact O-N 2.72Å
49G82.2Confident82.6Confident33 Ų33105.4 Ų105.434%0.3453%0.525SS..Hα-helixtrans-63.1-40.6174.300000113.6D45 V46 A47 K53D45-G49 PolarHBondContact O-N 3.1Å; V46-G49 PolarHBondContact O-N 3.44Å; A47-G49 VanDerWaalsContact C-N 3.32Å; A47-G49 PolarHBondContact O-N 2.85Å; G49-K53 WeakPolarHBondContact O-CG 3.34Å; G49-K53 PolarHBondContact O-N 2.85Å
50I77.2Confident81.6Confident85 Ų85107.2 Ų107.244%0.43653%0.529SS..Hα-helixtrans-66.8-49.5175.6-67.7167.6000110.1V46 A47 A52 K53 Y54V46-I50 HydrophobicContact CG1-CD1 3.98Å; V46-I50 WeakPolarHBondContact O-CG1 3.26Å; V46-I50 PolarHBondContact O-N 3.23Å; A47-I50 PolarHBondContact O-N 3.39Å; I50-A52 VanDerWaalsContact C-N 3.31Å; I50-A52 PolarHBondContact O-N 2.89Å; I50-K53 WeakPolarHBondContact O-CB 3.29Å; I50-K53 PolarHBondContact O-N 3.11Å; I50-K53 VanDerWaalsContact O-N 3.12Å; I50-Y54 HydrophobicContact CG2-CD2 3.72Å; I50-Y54 HydrophobicContact CG2-CE2 3.72Å; I50-Y54 WeakPolarHBondContact O-CD2 3.3Å; I50-Y54 PolarHBondContact O-N 3.33Å
51I79.9Confident80.7Confident91 Ų91104.2 Ų104.247%0.46752%0.52SS..Hα-helixtrans-56.4-47.2178.6-73.2170.2000110.1A47 E48 K53 Y54 Y55A47-I51 WeakPolarHBondContact O-CB 3.38Å; A47-I51 WeakPolarHBondContact O-CG1 3.38Å; A47-I51 PolarHBondContact O-N 3.46Å; E48-I51 PolarHBondContact O-N 2.98Å; I51-K53 VanDerWaalsContact C-N 3.3Å; I51-K53 PolarHBondContact O-N 3.24Å; I51-Y54 PolarHBondContact O-N 3.28Å; I51-Y54 VanDerWaalsContact O-N 3.11Å; I51-Y55 HydrophobicContact CG2-CD2 3.51Å; I51-Y55 HydrophobicContact CG2-CE2 3.71Å; I51-Y55 VanDerWaalsContact O-CD2 3.29Å; I51-Y55 WeakPolarHBondContact O-CD2 3.37Å; I51-Y55 PolarHBondContact O-N 3.08Å
52A80.8Confident79.8Confident62 Ų62104 Ų10451%0.51253%0.526SS..Hα-helixtrans-58.7-39.1178.200000112.7E48 I50 D56E48-A52 VanDerWaalsContact O-CB 3.26Å; E48-A52 WeakPolarHBondContact O-CB 3.29Å; E48-A52 PolarHBondContact O-N 2.72Å; I50-A52 VanDerWaalsContact C-N 3.31Å; I50-A52 PolarHBondContact O-N 2.89Å; A52-D56 PolarHBondContact O-N 2.8Å
53K74.7Confident79.1Confident169 Ų16997.4 Ų97.474%0.73551%0.506SS*.Hα-helixtrans-65.9-40.2174.7-71.4175.6-179.2-173.70112.5G49 I50 I51 D56G49-K53 WeakPolarHBondContact O-CG 3.34Å; G49-K53 PolarHBondContact O-N 2.85Å; I50-K53 WeakPolarHBondContact O-CB 3.29Å; I50-K53 PolarHBondContact O-N 3.11Å; I50-K53 VanDerWaalsContact O-N 3.12Å; I51-K53 VanDerWaalsContact C-N 3.3Å; I51-K53 PolarHBondContact O-N 3.24Å; K53-D56 PolarHBondContact O-N 3.18Å
54Y70.6Confident78.6Confident191 Ų19196.5 Ų96.575%0.74950%0.501SS*.Hα-helixtrans-69.1-38.2177.5-88.8-80.4000112.9I50 I51 D56I50-Y54 HydrophobicContact CG2-CD2 3.72Å; I50-Y54 HydrophobicContact CG2-CE2 3.72Å; I50-Y54 WeakPolarHBondContact O-CD2 3.3Å; I50-Y54 PolarHBondContact O-N 3.33Å; I51-Y54 PolarHBondContact O-N 3.28Å; I51-Y54 VanDerWaalsContact O-N 3.11Å; Y54-D56 VanDerWaalsContact C-N 3.27Å
55Y72.4Confident78Confident181 Ų18196.3 Ų96.371%0.7150%0.504SS*.THydrogen-bonded Turntrans-84.83.6177.5-76.5-74.4000113.6I51 T57I51-Y55 HydrophobicContact CG2-CD2 3.51Å; I51-Y55 HydrophobicContact CG2-CE2 3.71Å; I51-Y55 VanDerWaalsContact O-CD2 3.29Å; I51-Y55 WeakPolarHBondContact O-CD2 3.37Å; I51-Y55 PolarHBondContact O-N 3.08Å; Y55-T57 VanDerWaalsContact C-N 3.25Å; Y55-T57 PolarHBondContact O-N 3.1Å
56D71.7Confident77.6Confident60 Ų6093 Ų9332%0.32149%0.491SS..  trans-63.194.6172-1778.6000109.5A52 K53 Y54 A58 H59 Y60A52-D56 PolarHBondContact O-N 2.8Å; K53-D56 PolarHBondContact O-N 3.18Å; Y54-D56 VanDerWaalsContact C-N 3.27Å; D56-A58 PolarHBondContact O-N 3.05Å; D56-A58 VanDerWaalsContact O-N 3.1Å; D56-A58 VanDerWaalsContact OD1-CB 3.3Å; D56-A58 WeakPolarHBondContact OD1-CB 3.47Å; D56-A58 PolarHBondContact OD1-N 3.12Å; D56-A58 VanDerWaalsContact OD1-N 3.08Å; D56-H59 PolarHBondContact O-N 3.03Å; D56-H59 IonicContact OD2-CE1 3.55Å; D56-H59 IonicContact OD2-CG 3.95Å; D56-H59 IonicContact OD2-ND1 2.8Å; D56-H59 PolarHBondContact OD2-ND1 3.06Å; D56-Y60 PolarHBondContact O-N 3.42Å
57T65.2Low77.5Confident107 Ų10791.3 Ų91.366%0.65648%0.481SS*.Hα-helixtrans-57-24-179.348.80000112.7Y55 Y60 A61Y55-T57 VanDerWaalsContact C-N 3.25Å; Y55-T57 PolarHBondContact O-N 3.1Å; T57-Y60 PolarHBondContact O-N 3.18Å; T57-A61 WeakPolarHBondContact O-CB 3.3Å; T57-A61 PolarHBondContact O-N 3.16Å
58A70.2Confident77.5Confident56 Ų5693.7 Ų93.746%0.46349%0.491SS..Hα-helixtrans-63.5-44175.600000111D56 T62D56-A58 PolarHBondContact O-N 3.05Å; D56-A58 VanDerWaalsContact O-N 3.1Å; D56-A58 VanDerWaalsContact OD1-CB 3.3Å; D56-A58 WeakPolarHBondContact OD1-CB 3.47Å; D56-A58 PolarHBondContact OD1-N 3.12Å; D56-A58 VanDerWaalsContact OD1-N 3.08Å; A58-T62 VanDerWaalsContact O-CB 3.3Å; A58-T62 WeakPolarHBondContact O-CB 3.21Å; A58-T62 PolarHBondContact O-N 3.34Å; A58-T62 VanDerWaalsContact O-N 3.16Å; A58-T62 PolarHBondContact O-OG1 2.89Å
59H70.9Confident77.6Confident98 Ų9891 Ų9145%0.45448%0.484SS..Hα-helixtrans-68-49.5174.8-7889.1000111D56 A61 T62 V63 L112D56-H59 PolarHBondContact O-N 3.03Å; D56-H59 IonicContact OD2-CE1 3.55Å; D56-H59 IonicContact OD2-CG 3.95Å; D56-H59 IonicContact OD2-ND1 2.8Å; D56-H59 PolarHBondContact OD2-ND1 3.06Å; H59-A61 PolarHBondContact O-N 2.7Å; H59-T62 PolarHBondContact O-N 3.47Å; H59-V63 WeakPolarHBondContact O-CB 3.45Å; H59-V63 VanDerWaalsContact O-CG2 3.26Å; H59-V63 WeakPolarHBondContact O-CG2 3.26Å; H59-V63 PolarHBondContact O-N 2.84Å; H59-L112 VanDerWaalsContact CD2-CD2 3.43Å; H59-L112 WeakPolarHBondContact CD2-CD2 3.38Å
60Y74.2Confident78Confident168 Ų16890.3 Ų90.366%0.65947%0.472SS*.Hα-helixtrans-57.9-46-179.1179.8-98.5000112.9D56 T57 T64D56-Y60 PolarHBondContact O-N 3.42Å; T57-Y60 PolarHBondContact O-N 3.18Å; Y60-T64 VanDerWaalsContact O-CB 3.28Å; Y60-T64 WeakPolarHBondContact O-CB 3.26Å; Y60-T64 PolarHBondContact O-N 2.91Å; Y60-T64 PolarHBondContact O-OG1 3.43Å
61A76.2Confident78.6Confident43 Ų4389.1 Ų89.136%0.35547%0.47SS..Hα-helixtrans-65.8-39.3179.100000111.9T57 H59 K65T57-A61 WeakPolarHBondContact O-CB 3.3Å; T57-A61 PolarHBondContact O-N 3.16Å; H59-A61 PolarHBondContact O-N 2.7Å; A61-K65 WeakPolarHBondContact O-CB 3.36Å; A61-K65 VanDerWaalsContact O-CG 3.26Å; A61-K65 WeakPolarHBondContact O-CG 3.31Å; A61-K65 PolarHBondContact O-N 3.07Å
62T77Confident79.1Confident94 Ų9492.6 Ų92.658%0.57748%0.482SS*.Hα-helixtrans-65.6-48.9177.3-58.40000111A58 H59 T64 K65 A66A58-T62 VanDerWaalsContact O-CB 3.3Å; A58-T62 WeakPolarHBondContact O-CB 3.21Å; A58-T62 PolarHBondContact O-N 3.34Å; A58-T62 VanDerWaalsContact O-N 3.16Å; A58-T62 PolarHBondContact O-OG1 2.89Å; H59-T62 PolarHBondContact O-N 3.47Å; T62-T64 PolarHBondContact O-N 3.3Å; T62-K65 PolarHBondContact O-N 2.78Å; T62-A66 VanDerWaalsContact O-CB 3.31Å; T62-A66 WeakPolarHBondContact O-CB 3.43Å; T62-A66 PolarHBondContact O-N 3.28Å
63V78.6Confident79.4Confident40 Ų4092.9 Ų92.924%0.24248%0.478CS..Hα-helixtrans-60.5-45.8176.81750000110.8H59 K65 A66 V67 M108 L112H59-V63 WeakPolarHBondContact O-CB 3.45Å; H59-V63 VanDerWaalsContact O-CG2 3.26Å; H59-V63 WeakPolarHBondContact O-CG2 3.26Å; H59-V63 PolarHBondContact O-N 2.84Å; V63-K65 PolarHBondContact O-N 2.87Å; V63-A66 PolarHBondContact O-N 3.29Å; V63-V67 HydrophobicContact CG1-CG2 4.14Å; V63-V67 WeakPolarHBondContact O-CB 3.35Å; V63-V67 VanDerWaalsContact O-CG2 3.29Å; V63-V67 WeakPolarHBondContact O-CG2 3.39Å; V63-V67 PolarHBondContact O-N 3.16Å; V63-M108 HydrophobicContact CG1-SD 4.31Å; V63-M108 HydrophobicContact CG2-SD 4.43Å; V63-L112 HydrophobicContact CG2-CD1 3.6Å; V63-L112 HydrophobicContact CG2-CD2 3.93Å; V63-L112 HydrophobicContact CG2-CG 4.37Å
64T82.1Confident80Confident52 Ų5284.9 Ų84.932%0.31944%0.443SS..Hα-helixtrans-61.9-47.2178.6-58.70000111.4Y60 T62 A66 V67 T68Y60-T64 VanDerWaalsContact O-CB 3.28Å; Y60-T64 WeakPolarHBondContact O-CB 3.26Å; Y60-T64 PolarHBondContact O-N 2.91Å; Y60-T64 PolarHBondContact O-OG1 3.43Å; T62-T64 PolarHBondContact O-N 3.3Å; T64-A66 VanDerWaalsContact C-N 3.33Å; T64-A66 PolarHBondContact O-N 2.89Å; T64-V67 PolarHBondContact O-N 3.41Å; T64-T68 HydrophobicContact CG2-CG2 4.24Å; T64-T68 WeakPolarHBondContact O-CB 3.24Å; T64-T68 VanDerWaalsContact O-CG2 3.24Å; T64-T68 WeakPolarHBondContact O-CG2 3.38Å; T64-T68 PolarHBondContact O-N 2.96Å; T64-T68 PolarHBondContact O-OG1 3.49Å
65K80.7Confident80.8Confident150 Ų15078.4 Ų78.465%0.65242%0.423SS*.Hα-helixtrans-60.8-42.8176.9-76.9175.4-177.8177.70111.7A61 T62 V63 T68 S69A61-K65 WeakPolarHBondContact O-CB 3.36Å; A61-K65 VanDerWaalsContact O-CG 3.26Å; A61-K65 WeakPolarHBondContact O-CG 3.31Å; A61-K65 PolarHBondContact O-N 3.07Å; T62-K65 PolarHBondContact O-N 2.78Å; V63-K65 PolarHBondContact O-N 2.87Å; K65-T68 PolarHBondContact O-OG1 3.46Å; K65-S69 WeakPolarHBondContact O-CB 3.28Å; K65-S69 PolarHBondContact O-N 2.95Å; K65-S69 VanDerWaalsContact O-N 3.13Å; K65-S69 PolarHBondContact O-OG 2.89Å
66A83Confident81.5Confident30 Ų3077.5 Ų77.525%0.24842%0.419CS..Hα-helixtrans-67.1-48.4-179.800000111.3T62 V63 T64 T68 S69 M70 M108T62-A66 VanDerWaalsContact O-CB 3.31Å; T62-A66 WeakPolarHBondContact O-CB 3.43Å; T62-A66 PolarHBondContact O-N 3.28Å; V63-A66 PolarHBondContact O-N 3.29Å; T64-A66 VanDerWaalsContact C-N 3.33Å; T64-A66 PolarHBondContact O-N 2.89Å; A66-T68 PolarHBondContact O-N 3.35Å; A66-S69 PolarHBondContact O-N 3.23Å; A66-S69 PolarHBondContact O-OG 3.13Å; A66-M70 WeakPolarHBondContact O-CB 3.22Å; A66-M70 PolarHBondContact O-N 3.38Å; A66-M108 HydrophobicContact CB-CE 3.25Å; A66-M108 HydrophobicContact CB-SD 3.83Å
67V84.8Confident82.1Confident58 Ų5878.2 Ų78.235%0.35242%0.42SS..Hα-helixtrans-66.2-37.3-179.7176.40000112.4V63 T64 M70 P71 F105 M108V63-V67 HydrophobicContact CG1-CG2 4.14Å; V63-V67 WeakPolarHBondContact O-CB 3.35Å; V63-V67 VanDerWaalsContact O-CG2 3.29Å; V63-V67 WeakPolarHBondContact O-CG2 3.39Å; V63-V67 PolarHBondContact O-N 3.16Å; T64-V67 PolarHBondContact O-N 3.41Å; V67-M70 HydrophobicContact CB-CE 4.29Å; V67-M70 HydrophobicContact CG1-CE 4.38Å; V67-M70 HydrophobicContact CG2-CE 4.07Å; V67-P71 WeakPolarHBondContact O-CD 3.35Å; V67-F105 HydrophobicContact CG2-CD2 4.35Å; V67-F105 HydrophobicContact CG2-CE2 4.31Å; V67-M108 HydrophobicContact CG2-CE 4.36Å; V67-M108 HydrophobicContact CG2-SD 4.29Å
68T87.8Confident83Confident89 Ų8973.5 Ų73.555%0.54639%0.391SS..Hα-helixtrans-72.7-30.7178.252.80000113.3T64 K65 A66T64-T68 HydrophobicContact CG2-CG2 4.24Å; T64-T68 WeakPolarHBondContact O-CB 3.24Å; T64-T68 VanDerWaalsContact O-CG2 3.24Å; T64-T68 WeakPolarHBondContact O-CG2 3.38Å; T64-T68 PolarHBondContact O-N 2.96Å; T64-T68 PolarHBondContact O-OG1 3.49Å; K65-T68 PolarHBondContact O-OG1 3.46Å; A66-T68 PolarHBondContact O-N 3.35Å
69S90.4Very high83.4Confident53 Ų5374.7 Ų74.737%0.37139%0.393SS..Hα-helixtrans-89.4-21.8178.159.80000113.9K65 A66 F72 V73K65-S69 WeakPolarHBondContact O-CB 3.28Å; K65-S69 PolarHBondContact O-N 2.95Å; K65-S69 VanDerWaalsContact O-N 3.13Å; K65-S69 PolarHBondContact O-OG 2.89Å; A66-S69 PolarHBondContact O-N 3.23Å; A66-S69 PolarHBondContact O-OG 3.13Å; S69-F72 WeakPolarHBondContact O-CB 3.35Å; S69-F72 PolarHBondContact O-N 3.07Å; S69-F72 VanDerWaalsContact O-N 3.08Å; S69-V73 PolarHBondContact O-N 2.71Å
70M89.8Confident83.5Confident19 Ų1978.5 Ų78.59%0.09440%0.403CS..Hα-helixtrans-50.9-48.5-176.5-142.2-165.4-38.900114.1A66 V67 F72 V73 C74 C101 E104 F105 M108A66-M70 WeakPolarHBondContact O-CB 3.22Å; A66-M70 PolarHBondContact O-N 3.38Å; V67-M70 HydrophobicContact CB-CE 4.29Å; V67-M70 HydrophobicContact CG1-CE 4.38Å; V67-M70 HydrophobicContact CG2-CE 4.07Å; M70-F72 VanDerWaalsContact C-N 3.27Å; M70-F72 PolarHBondContact O-N 3.18Å; M70-V73 PolarHBondContact O-N 2.71Å; M70-C74 WeakPolarHBondContact O-CB 3.29Å; M70-C74 PolarHBondContact O-N 2.95Å; M70-C101 HydrophobicContact SD-CB 4.07Å; M70-E104 HydrophobicContact CG-CB 3.9Å; M70-E104 HydrophobicContact SD-CB 3.65Å; M70-F105 HydrophobicContact CE-CB 4.14Å; M70-F105 HydrophobicContact CE-CD2 4.11Å; M70-F105 HydrophobicContact SD-CB 4.2Å; M70-M108 HydrophobicContact CE-CE 4.37Å
71P88.9Confident83.3Confident61 Ų6178.5 Ų78.540%0.39641%0.406SS..Hα-helixtrans-61.8-36.7-179-23.735.9000112.2V67 T75V67-P71 WeakPolarHBondContact O-CD 3.35Å; P71-T75 VanDerWaalsContact O-CB 3.23Å; P71-T75 WeakPolarHBondContact O-CB 3.43Å; P71-T75 PolarHBondContact O-N 3.44Å; P71-T75 PolarHBondContact O-OG1 3.44Å
72F90.2Very high82.6Confident164 Ų16477.8 Ų77.872%0.71940%0.404SS*.Hα-helixtrans-68.3-43.1177.1-66.1-82.6000111.7S69 M70 R76S69-F72 WeakPolarHBondContact O-CB 3.35Å; S69-F72 PolarHBondContact O-N 3.07Å; S69-F72 VanDerWaalsContact O-N 3.08Å; M70-F72 VanDerWaalsContact C-N 3.27Å; M70-F72 PolarHBondContact O-N 3.18Å; F72-R76 WeakPolarHBondContact O-CB 3.49Å; F72-R76 PolarHBondContact O-N 3.49Å
73V88.3Confident81.5Confident68 Ų6881 Ų8141%0.41241%0.412SS..Hα-helixtrans-63-50.8177.1175.70000110.3S69 M70 T75 R76 Q77S69-V73 PolarHBondContact O-N 2.71Å; M70-V73 PolarHBondContact O-N 2.71Å; V73-T75 PolarHBondContact O-N 3.3Å; V73-R76 PolarHBondContact O-N 3.27Å; V73-Q77 HydrophobicContact CG1-CG 4.48Å; V73-Q77 WeakPolarHBondContact O-CG 3.19Å; V73-Q77 PolarHBondContact O-N 3.38Å
74C87.9Confident80.3Confident0 Ų089.2 Ų89.20%044%0.438CS..Hα-helixtrans-62.8-42.1179.4-77.70000112.4M70 R76 Q77 C78 V97 C100 C101M70-C74 WeakPolarHBondContact O-CB 3.29Å; M70-C74 PolarHBondContact O-N 2.95Å; C74-R76 VanDerWaalsContact C-N 3.34Å; C74-R76 PolarHBondContact O-N 2.9Å; C74-Q77 PolarHBondContact O-N 3.02Å; C74-C78 WeakPolarHBondContact O-CB 3.37Å; C74-C78 PolarHBondContact O-N 2.84Å; C74-C78 PolarHBondContact O-SG 3.49Å; C74-V97 HydrophobicContact CB-CG1 4.1Å; C74-C100 WeakPolarHBondContact CA-SG 3.24Å; C74-C100 HydrophobicContact CB-CB 3.69Å; C74-C100 WeakPolarHBondContact CB-SG 3.47Å; C74-C100 WeakPolarHBondContact SG-CB 3.43Å; C74-C100 CovalentContact SG-SG 2.06Å; C74-C100 PolarHBondContact SG-SG 3.4Å; C74-C101 PolarHBondContact SG-N 3.34Å
75T86.8Confident79Confident56 Ų5694.2 Ų94.234%0.34446%0.458SS..Hα-helixtrans-58.6-46.8174.1-58.90000111P71 V73 Q77 C78 V79P71-T75 VanDerWaalsContact O-CB 3.23Å; P71-T75 WeakPolarHBondContact O-CB 3.43Å; P71-T75 PolarHBondContact O-N 3.44Å; P71-T75 PolarHBondContact O-OG1 3.44Å; V73-T75 PolarHBondContact O-N 3.3Å; T75-Q77 VanDerWaalsContact C-N 3.34Å; T75-Q77 PolarHBondContact O-N 3.38Å; T75-C78 PolarHBondContact O-N 2.94Å; T75-V79 HydrophobicContact CG2-CG2 4.29Å; T75-V79 WeakPolarHBondContact O-CB 3.43Å; T75-V79 VanDerWaalsContact O-CG2 3.24Å; T75-V79 WeakPolarHBondContact O-CG2 3.1Å; T75-V79 PolarHBondContact O-N 3.06Å
76R86.5Confident78Confident162 Ų16293.2 Ų93.261%0.61146%0.464SS*.Hα-helixtrans-63.5-38.7179-170-179.8-174.2-171.33.2112.5F72 V73 C74 R80F72-R76 WeakPolarHBondContact O-CB 3.49Å; F72-R76 PolarHBondContact O-N 3.49Å; V73-R76 PolarHBondContact O-N 3.27Å; C74-R76 VanDerWaalsContact C-N 3.34Å; C74-R76 PolarHBondContact O-N 2.9Å; R76-R80 WeakPolarHBondContact O-CG 3.44Å; R76-R80 PolarHBondContact O-N 3.08Å
77Q85.1Confident76.8Confident75 Ų7595.9 Ų95.935%0.3549%0.486SS..Hα-helixtrans-66.4-45.9175.9-71.2-177.213.300111.6V73 C74 T75 R80 K81V73-Q77 HydrophobicContact CG1-CG 4.48Å; V73-Q77 WeakPolarHBondContact O-CG 3.19Å; V73-Q77 PolarHBondContact O-N 3.38Å; C74-Q77 PolarHBondContact O-N 3.02Å; T75-Q77 VanDerWaalsContact C-N 3.34Å; T75-Q77 PolarHBondContact O-N 3.38Å; Q77-R80 PolarHBondContact O-N 2.87Å; Q77-K81 PolarHBondContact O-N 3.3Å
78C83.3Confident75.7Confident8 Ų8101.7 Ų101.75%0.05451%0.507CS..Hα-helixtrans-67.2-39.6180-70.90000112.6C74 T75 R80 K81 G82 C96 V97C74-C78 WeakPolarHBondContact O-CB 3.37Å; C74-C78 PolarHBondContact O-N 2.84Å; C74-C78 PolarHBondContact O-SG 3.49Å; T75-C78 PolarHBondContact O-N 2.94Å; C78-R80 VanDerWaalsContact C-N 3.27Å; C78-R80 PolarHBondContact O-N 3.2Å; C78-K81 PolarHBondContact O-N 3.02Å; C78-G82 PolarHBondContact O-N 3.28Å; C78-G82 VanDerWaalsContact O-N 3.08Å; C78-C96 HydrophobicContact CB-CB 3.89Å; C78-C96 WeakPolarHBondContact CB-SG 3.32Å; C78-C96 WeakPolarHBondContact SG-CB 3.32Å; C78-C96 CovalentContact SG-SG 2.05Å; C78-C96 PolarHBondContact SG-SG 3.21Å; C78-V97 HydrophobicContact CB-CG2 4Å; C78-V97 PolarHBondContact SG-N 3.35Å
79V78Confident74.6Confident81 Ų8199.3 Ų99.349%0.49149%0.49SS..Hα-helixtrans-60.5-36.9174.4170.10000111.6T75 K81T75-V79 HydrophobicContact CG2-CG2 4.29Å; T75-V79 WeakPolarHBondContact O-CB 3.43Å; T75-V79 VanDerWaalsContact O-CG2 3.24Å; T75-V79 WeakPolarHBondContact O-CG2 3.1Å; T75-V79 PolarHBondContact O-N 3.06Å; V79-K81 VanDerWaalsContact C-N 3.32Å
80R73.6Confident73.9Confident178 Ų178101.1 Ų101.167%0.67250%0.499SS*.Hα-helixtrans-68.5-30.4175.5-75.3175.5172.3177.6-3112.9R76 Q77 C78R76-R80 WeakPolarHBondContact O-CG 3.44Å; R76-R80 PolarHBondContact O-N 3.08Å; Q77-R80 PolarHBondContact O-N 2.87Å; C78-R80 VanDerWaalsContact C-N 3.27Å; C78-R80 PolarHBondContact O-N 3.2Å
81K71.1Confident73.4Confident167 Ų167107.6 Ų107.673%0.72653%0.529SS*.Hα-helixtrans-76.7-33.4178.2-71.7-179178.4179.50112.7Q77 C78 V79Q77-K81 PolarHBondContact O-N 3.3Å; C78-K81 PolarHBondContact O-N 3.02Å; V79-K81 VanDerWaalsContact C-N 3.32Å
82G60.6Low72.8Confident29 Ų29110.6 Ų110.630%0.29954%0.538SS..SBendtrans-109.282.1-166.900000115.8C78 R84C78-G82 PolarHBondContact O-N 3.28Å; C78-G82 VanDerWaalsContact O-N 3.08Å; G82-R84 PolarHBondContact O-N 2.99Å
83Q55Low72.2Confident161 Ų161105.7 Ų105.775%0.75252%0.517SS*.  trans-58.8119.4171.2-70.6177.5-23.700113.2
84R52.3Low72Confident212 Ų212107.3 Ų107.380%0.852%0.521SS*.SBendtrans83.77131-61.7-171.7-166.5-170.25.5125.3G82G82-R84 PolarHBondContact O-N 2.99Å
85H55.3Low71.9Confident157 Ų157112.1 Ų112.173%0.72755%0.546SS*.  trans-131.497.5171.3-75.5-73.3000116A87 L89H85-A87 PolarHBondContact O-N 3.45Å; H85-L89 VanDerWaalsContact O-CB 3.24Å; H85-L89 WeakPolarHBondContact O-CB 3.36Å
86V58.8Low71.8Confident129 Ų129111.3 Ų111.378%0.78254%0.542SS*.THydrogen-bonded Turntrans-54.8-42-156.4-170.60000117.5V90V86-V90 WeakPolarHBondContact O-CG2 3.23Å
87A57.6Low71.8Confident87 Ų87104.2 Ų104.272%0.71952%0.517SS*.THydrogen-bonded Turntrans-82.6-53.9-165.400000114.8H85 L89 V90H85-A87 PolarHBondContact O-N 3.45Å; A87-L89 PolarHBondContact O-N 3.44Å; A87-V90 PolarHBondContact O-N 2.97Å
88K63.1Low72Confident180 Ų180104.3 Ų104.378%0.78352%0.52SS*.Hα-helixtrans-67.1-19.7175.5-72.5-175178.6-178.40112.5V90K88-V90 VanDerWaalsContact C-N 3.35Å
89L64.8Low72.3Confident38 Ų38107.4 Ų107.420%0.19954%0.539CS..Hα-helixtrans-76.8-19.4179.5-147.581.1000112.4H85 A87 Q92 Q93H85-L89 VanDerWaalsContact O-CB 3.24Å; H85-L89 WeakPolarHBondContact O-CB 3.36Å; A87-L89 PolarHBondContact O-N 3.44Å; L89-Q92 PolarHBondContact O-N 2.94Å; L89-Q93 WeakPolarHBondContact O-CA 3.39Å; L89-Q93 WeakPolarHBondContact O-CB 3.38Å; L89-Q93 PolarHBondContact O-N 3.21Å
90V74.7Confident72.7Confident92 Ų92104.3 Ų104.356%0.55852%0.52SS*.Hα-helixtrans-62.3-49.6-179.4-179.60000110.8V86 A87 K88 Q93 Q94V86-V90 WeakPolarHBondContact O-CG2 3.23Å; A87-V90 PolarHBondContact O-N 2.97Å; K88-V90 VanDerWaalsContact C-N 3.35Å; V90-Q93 PolarHBondContact O-N 3.29Å; V90-Q94 WeakPolarHBondContact O-CB 3.03Å; V90-Q94 PolarHBondContact O-N 2.99Å
91E79.3Confident73.5Confident155 Ų15597.1 Ų97.172%0.72450%0.497SS*.Hα-helixtrans-63.3-48.4176.8-70.8177.9-178.800111Q93 Q94 D95E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 3.22Å; E91-Q94 WeakPolarHBondContact O-CB 3.45Å; E91-Q94 PolarHBondContact O-N 3.01Å; E91-Q94 VanDerWaalsContact O-N 3.12Å; E91-D95 PolarHBondContact O-N 3.33Å
92Q76.9Confident74.5Confident123 Ų12396.9 Ų96.958%0.57549%0.492SS*.Hα-helixtrans-61.6-36178.3-66.1-179.3-18.600112.9L89 C96L89-Q92 PolarHBondContact O-N 2.94Å; Q92-C96 WeakPolarHBondContact O-CB 3.45Å; Q92-C96 PolarHBondContact O-N 3.43Å
93Q77.5Confident75.9Confident62 Ų62101.9 Ų101.929%0.2951%0.507SS..Hα-helixtrans-71.5-40.7176.6-176.8174.6-31.600110L89 V90 E91 C96 V97L89-Q93 WeakPolarHBondContact O-CA 3.39Å; L89-Q93 WeakPolarHBondContact O-CB 3.38Å; L89-Q93 PolarHBondContact O-N 3.21Å; V90-Q93 PolarHBondContact O-N 3.29Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 3.22Å; Q93-C96 PolarHBondContact O-N 3.27Å; Q93-V97 WeakPolarHBondContact O-CB 3.44Å; Q93-V97 VanDerWaalsContact O-CG2 3.27Å; Q93-V97 WeakPolarHBondContact O-CG2 3.45Å; Q93-V97 PolarHBondContact O-N 3.42Å
94Q83.2Confident77.5Confident102 Ų10298.4 Ų98.448%0.47749%0.491SS..Hα-helixtrans-62.5-43.6173.9-171.161.445.800111.1V90 E91 C96 V97 N98V90-Q94 WeakPolarHBondContact O-CB 3.03Å; V90-Q94 PolarHBondContact O-N 2.99Å; E91-Q94 WeakPolarHBondContact O-CB 3.45Å; E91-Q94 PolarHBondContact O-N 3.01Å; E91-Q94 VanDerWaalsContact O-N 3.12Å; Q94-C96 PolarHBondContact O-N 2.9Å; Q94-V97 PolarHBondContact O-N 3.47Å; Q94-N98 PolarHBondContact NE2-OD1 2.9Å; Q94-N98 VanDerWaalsContact O-CB 3.28Å; Q94-N98 WeakPolarHBondContact O-CB 3.09Å; Q94-N98 PolarHBondContact O-N 2.06Å; Q94-N98 PolarHBondContact O-ND2 2.68Å; Q94-N98 PolarHBondContact O-OD1 3.43Å
95D85.9Confident79.1Confident101 Ų10192.5 Ų92.554%0.5447%0.471SS..Hα-helixtrans-62.9-42176-72.9-19.1000111.8E91 N98 T99E91-D95 PolarHBondContact O-N 3.33Å; D95-N98 PolarHBondContact O-N 3.3Å; D95-T99 WeakPolarHBondContact O-CB 3.25Å; D95-T99 PolarHBondContact O-N 3.5Å; D95-T99 PolarHBondContact O-OG1 2.93Å
96C84.8Confident80.7Confident39 Ų3991.5 Ų91.526%0.26446%0.462SS..Hα-helixtrans-59.8-48.1173.2178.80000111.6C78 Q92 Q93 Q94 T99 C100C78-C96 HydrophobicContact CB-CB 3.89Å; C78-C96 WeakPolarHBondContact CB-SG 3.32Å; C78-C96 WeakPolarHBondContact SG-CB 3.32Å; C78-C96 CovalentContact SG-SG 2.05Å; C78-C96 PolarHBondContact SG-SG 3.21Å; Q92-C96 WeakPolarHBondContact O-CB 3.45Å; Q92-C96 PolarHBondContact O-N 3.43Å; Q93-C96 PolarHBondContact O-N 3.27Å; Q94-C96 PolarHBondContact O-N 2.9Å; C96-T99 PolarHBondContact O-N 2.82Å; C96-C100 VanDerWaalsContact O-CB 3.32Å; C96-C100 WeakPolarHBondContact O-CB 3.28Å; C96-C100 PolarHBondContact O-N 2.91Å
97V86.6Confident82.1Confident12 Ų1288.5 Ų88.57%0.07345%0.447CS..Hα-helixtrans-64.7-44.2179.8172.40000110.7C74 C78 Q93 Q94 T99 C100 C101C74-V97 HydrophobicContact CB-CG1 4.1Å; C78-V97 HydrophobicContact CB-CG2 4Å; C78-V97 PolarHBondContact SG-N 3.35Å; Q93-V97 WeakPolarHBondContact O-CB 3.44Å; Q93-V97 VanDerWaalsContact O-CG2 3.27Å; Q93-V97 WeakPolarHBondContact O-CG2 3.45Å; Q93-V97 PolarHBondContact O-N 3.42Å; Q94-V97 PolarHBondContact O-N 3.47Å; V97-T99 VanDerWaalsContact C-N 3.34Å; V97-T99 PolarHBondContact O-N 3.35Å; V97-C100 PolarHBondContact O-N 3.44Å; V97-C101 WeakPolarHBondContact O-CB 3.36Å; V97-C101 PolarHBondContact O-N 2.92Å; V97-C101 PolarHBondContact O-SG 2.8Å; V97-C101 VanDerWaalsContact O-SG 3.33Å
98N89.3Confident83.2Confident78 Ų7885.9 Ų85.942%0.41742%0.42SS..Hα-helixtrans-60.6-43.5177.7-72.8-16.9000111.7Q94 D95 R102Q94-N98 PolarHBondContact NE2-OD1 2.9Å; Q94-N98 VanDerWaalsContact O-CB 3.28Å; Q94-N98 WeakPolarHBondContact O-CB 3.09Å; Q94-N98 PolarHBondContact O-N 2.06Å; Q94-N98 PolarHBondContact O-ND2 2.68Å; Q94-N98 PolarHBondContact O-OD1 3.43Å; D95-N98 PolarHBondContact O-N 3.3Å; N98-R102 VanDerWaalsContact O-CB 3.25Å; N98-R102 WeakPolarHBondContact O-CB 3.36Å; N98-R102 PolarHBondContact O-N 3.47Å
99T89.2Confident84.1Confident73 Ų7380 Ų8045%0.44840%0.397SS..Hα-helixtrans-66.4-47178.2-54.30000110.7D95 C96 V97 C101 R102 E103D95-T99 WeakPolarHBondContact O-CB 3.25Å; D95-T99 PolarHBondContact O-N 3.5Å; D95-T99 PolarHBondContact O-OG1 2.93Å; C96-T99 PolarHBondContact O-N 2.82Å; V97-T99 VanDerWaalsContact C-N 3.34Å; V97-T99 PolarHBondContact O-N 3.35Å; T99-C101 PolarHBondContact O-N 2.89Å; T99-R102 WeakPolarHBondContact O-CB 3.27Å; T99-R102 PolarHBondContact O-N 3.27Å; T99-E103 WeakPolarHBondContact O-CG 3.5Å; T99-E103 PolarHBondContact O-N 3.31Å
100C88.2Confident85Confident15 Ų1583.9 Ų83.910%0.10141%0.412CS..Hα-helixtrans-57.2-51.3175172.80000112C74 C96 V97 R102 E103 E104C74-C100 WeakPolarHBondContact CA-SG 3.24Å; C74-C100 HydrophobicContact CB-CB 3.69Å; C74-C100 WeakPolarHBondContact CB-SG 3.47Å; C74-C100 WeakPolarHBondContact SG-CB 3.43Å; C74-C100 CovalentContact SG-SG 2.06Å; C74-C100 PolarHBondContact SG-SG 3.4Å; C96-C100 VanDerWaalsContact O-CB 3.32Å; C96-C100 WeakPolarHBondContact O-CB 3.28Å; C96-C100 PolarHBondContact O-N 2.91Å; V97-C100 PolarHBondContact O-N 3.44Å; C100-R102 PolarHBondContact O-N 3.5Å; C100-E103 PolarHBondContact O-N 3.34Å; C100-E104 WeakPolarHBondContact O-CB 3.07Å; C100-E104 WeakPolarHBondContact O-CG 3.09Å; C100-E104 PolarHBondContact O-N 3.3Å
101C89.7Confident85.2Confident27 Ų2785.7 Ų85.718%0.18242%0.419CS..Hα-helixtrans-61.9-35.7179.8-72.10000111.6M70 C74 V97 T99 F105M70-C101 HydrophobicContact SD-CB 4.07Å; C74-C101 PolarHBondContact SG-N 3.34Å; V97-C101 WeakPolarHBondContact O-CB 3.36Å; V97-C101 PolarHBondContact O-N 2.92Å; V97-C101 PolarHBondContact O-SG 2.8Å; V97-C101 VanDerWaalsContact O-SG 3.33Å; T99-C101 PolarHBondContact O-N 2.89Å; C101-F105 WeakPolarHBondContact O-CB 3.36Å; C101-F105 PolarHBondContact O-N 3.5Å
102R91.5Very high84.9Confident163 Ų16381.7 Ų81.762%0.61540%0.402SS*.Hα-helixtrans-64.7-48.5176.2-175.5-176.5-63.1-152.41.7111.3N98 T99 C100 F105 Y106N98-R102 VanDerWaalsContact O-CB 3.25Å; N98-R102 WeakPolarHBondContact O-CB 3.36Å; N98-R102 PolarHBondContact O-N 3.47Å; T99-R102 WeakPolarHBondContact O-CB 3.27Å; T99-R102 PolarHBondContact O-N 3.27Å; C100-R102 PolarHBondContact O-N 3.5Å; R102-F105 PolarHBondContact O-N 3.29Å; R102-Y106 HydrophobicContact CG-CD2 3.74Å; R102-Y106 HydrophobicContact CG-CE2 3.46Å; R102-Y106 VanDerWaalsContact CG-CE2 3.46Å; R102-Y106 WeakPolarHBondContact O-CD2 3.47Å; R102-Y106 PolarHBondContact O-N 3.08Å
103E90.4Very high84.7Confident134 Ų13481.5 Ų81.563%0.62640%0.404SS*.Hα-helixtrans-62.6-47.3179.3-71.3175.8173.600112T99 C100 F105 Y106 S107T99-E103 WeakPolarHBondContact O-CG 3.5Å; T99-E103 PolarHBondContact O-N 3.31Å; C100-E103 PolarHBondContact O-N 3.34Å; E103-F105 VanDerWaalsContact C-N 3.35Å; E103-F105 PolarHBondContact O-N 2.92Å; E103-Y106 PolarHBondContact O-N 3.06Å; E103-S107 PolarHBondContact O-N 3.33Å
104E87.6Confident84.4Confident88 Ų8881.9 Ų81.941%0.41142%0.424SS..Hα-helixtrans-60.3-43.1177-71.6-72.1160.200111.7M70 C100 S107 M108M70-E104 HydrophobicContact CG-CB 3.9Å; M70-E104 HydrophobicContact SD-CB 3.65Å; C100-E104 WeakPolarHBondContact O-CB 3.07Å; C100-E104 WeakPolarHBondContact O-CG 3.09Å; C100-E104 PolarHBondContact O-N 3.3Å; E104-S107 PolarHBondContact O-N 2.05Å; E104-M108 PolarHBondContact O-N 2.88Å
105F87.4Confident83.3Confident87 Ų8786.3 Ų86.338%0.38245%0.445SS..Hα-helixtrans-64.3-42.1176.9-174.9-105.6000112.4V67 M70 C101 R102 E103 M108 L109V67-F105 HydrophobicContact CG2-CD2 4.35Å; V67-F105 HydrophobicContact CG2-CE2 4.31Å; M70-F105 HydrophobicContact CE-CB 4.14Å; M70-F105 HydrophobicContact CE-CD2 4.11Å; M70-F105 HydrophobicContact SD-CB 4.2Å; C101-F105 WeakPolarHBondContact O-CB 3.36Å; C101-F105 PolarHBondContact O-N 3.5Å; R102-F105 PolarHBondContact O-N 3.29Å; E103-F105 VanDerWaalsContact C-N 3.35Å; E103-F105 PolarHBondContact O-N 2.92Å; F105-M108 PolarHBondContact O-N 3.35Å; F105-L109 HydrophobicContact CD1-CD1 3.81Å; F105-L109 HydrophobicContact CD1-CG 4.34Å; F105-L109 HydrophobicContact CE1-CD1 3.35Å; F105-L109 HydrophobicContact CE1-CG 3.98Å; F105-L109 HydrophobicContact CZ-CD1 3.93Å; F105-L109 HydrophobicContact CZ-CD2 4.37Å; F105-L109 HydrophobicContact CZ-CG 4.14Å; F105-L109 PolarHBondContact O-N 2.76Å
106Y88.7Confident83.2Confident137 Ų13785.6 Ų85.654%0.53744%0.44SS..Hα-helixtrans-66.4-38.3176.1-81.2-60.4000112.8R102 E103 M108 L109 K110R102-Y106 HydrophobicContact CG-CD2 3.74Å; R102-Y106 HydrophobicContact CG-CE2 3.46Å; R102-Y106 VanDerWaalsContact CG-CE2 3.46Å; R102-Y106 WeakPolarHBondContact O-CD2 3.47Å; R102-Y106 PolarHBondContact O-N 3.08Å; E103-Y106 PolarHBondContact O-N 3.06Å; Y106-M108 VanDerWaalsContact C-N 3.34Å; Y106-L109 HydrophobicContact CD1-CD1 4.48Å; Y106-L109 PolarHBondContact O-N 2.82Å; Y106-K110 WeakPolarHBondContact O-CG 3.35Å; Y106-K110 PolarHBondContact O-N 2.84Å; Y106-K110 VanDerWaalsContact O-N 3.07Å
107S87Confident83.1Confident66 Ų6688 Ų8846%0.46245%0.45SS..Hα-helixtrans-60-47.5174.1-166.90000110.7E103 E104 L109 K110 D111E103-S107 PolarHBondContact O-N 3.33Å; E104-S107 PolarHBondContact O-N 2.05Å; S107-L109 VanDerWaalsContact C-N 3.34Å; S107-L109 PolarHBondContact O-N 3.21Å; S107-K110 PolarHBondContact O-N 3.45Å; S107-D111 PolarHBondContact O-N 3.39Å; S107-D111 VanDerWaalsContact O-N 3.16Å
108M82.4Confident82.9Confident32 Ų3292.2 Ų92.216%0.15847%0.471CS..Hα-helixtrans-60.5-41.7177.3-171.2-170.8-43.900112.3V63 A66 V67 M70 E104 F105 Y106 K110 D111 L112V63-M108 HydrophobicContact CG1-SD 4.31Å; V63-M108 HydrophobicContact CG2-SD 4.43Å; A66-M108 HydrophobicContact CB-CE 3.25Å; A66-M108 HydrophobicContact CB-SD 3.83Å; V67-M108 HydrophobicContact CG2-CE 4.36Å; V67-M108 HydrophobicContact CG2-SD 4.29Å; M70-M108 HydrophobicContact CE-CE 4.37Å; E104-M108 PolarHBondContact O-N 2.88Å; F105-M108 PolarHBondContact O-N 3.35Å; Y106-M108 VanDerWaalsContact C-N 3.34Å; M108-K110 PolarHBondContact O-N 2.94Å; M108-D111 PolarHBondContact O-N 2.69Å; M108-L112 HydrophobicContact CG-CD1 4.22Å; M108-L112 VanDerWaalsContact O-CG 3.22Å; M108-L112 WeakPolarHBondContact O-CG 2.92Å; M108-L112 PolarHBondContact O-N 3.44Å; M108-L112 VanDerWaalsContact O-N 3.07Å
109L80.3Confident82.6Confident57 Ų5793.1 Ų93.130%0.29847%0.474SS..Hα-helixtrans-63-39.7177.3-80.8177.7000112.8F105 Y106 S107 L112 L113F105-L109 HydrophobicContact CD1-CD1 3.81Å; F105-L109 HydrophobicContact CD1-CG 4.34Å; F105-L109 HydrophobicContact CE1-CD1 3.35Å; F105-L109 HydrophobicContact CE1-CG 3.98Å; F105-L109 HydrophobicContact CZ-CD1 3.93Å; F105-L109 HydrophobicContact CZ-CD2 4.37Å; F105-L109 HydrophobicContact CZ-CG 4.14Å; F105-L109 PolarHBondContact O-N 2.76Å; Y106-L109 HydrophobicContact CD1-CD1 4.48Å; Y106-L109 PolarHBondContact O-N 2.82Å; S107-L109 VanDerWaalsContact C-N 3.34Å; S107-L109 PolarHBondContact O-N 3.21Å; L109-L112 PolarHBondContact O-N 3.3Å; L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 WeakPolarHBondContact O-CG 3.24Å; L109-L113 PolarHBondContact O-N 3.29Å
110K84.4Confident82.1Confident119 Ų11994.3 Ų94.352%0.51748%0.475SS..Hα-helixtrans-61.6-46.1175.9-74.8-179.4175.8-174.20111.5Y106 S107 M108 L112 L113 G114 E115Y106-K110 WeakPolarHBondContact O-CG 3.35Å; Y106-K110 PolarHBondContact O-N 2.84Å; Y106-K110 VanDerWaalsContact O-N 3.07Å; S107-K110 PolarHBondContact O-N 3.45Å; M108-K110 PolarHBondContact O-N 2.94Å; K110-L112 PolarHBondContact O-N 3.27Å; K110-L113 PolarHBondContact O-N 3.26Å; K110-G114 PolarHBondContact O-N 3.27Å; K110-E115 PolarHBondContact O-N 3.12Å
111D79.9Confident81.7Confident130 Ų13099.6 Ų99.670%0.69550%0.5SS*.Hα-helixtrans-60.2-36.3177.3-64-25.8000112S107 M108S107-D111 PolarHBondContact O-N 3.39Å; S107-D111 VanDerWaalsContact O-N 3.16Å; M108-D111 PolarHBondContact O-N 2.69Å
112L71.4Confident81.2Confident70 Ų70104.8 Ų104.837%0.36652%0.523SS..Hα-helixtrans-75-40.1178.3-69.1169.7000113.7H59 V63 M108 L109 K110 G114H59-L112 VanDerWaalsContact CD2-CD2 3.43Å; H59-L112 WeakPolarHBondContact CD2-CD2 3.38Å; V63-L112 HydrophobicContact CG2-CD1 3.6Å; V63-L112 HydrophobicContact CG2-CD2 3.93Å; V63-L112 HydrophobicContact CG2-CG 4.37Å; M108-L112 HydrophobicContact CG-CD1 4.22Å; M108-L112 VanDerWaalsContact O-CG 3.22Å; M108-L112 WeakPolarHBondContact O-CG 2.92Å; M108-L112 PolarHBondContact O-N 3.44Å; M108-L112 VanDerWaalsContact O-N 3.07Å; L109-L112 PolarHBondContact O-N 3.3Å; K110-L112 PolarHBondContact O-N 3.27Å; L112-G114 VanDerWaalsContact C-N 3.34Å
113L73.3Confident80.4Confident119 Ų119100.3 Ų100.362%0.62352%0.516SS*.Hα-helixtrans-83.2-14.4-177.4-67.6172.7000112.4L109 K110 E115L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 WeakPolarHBondContact O-CG 3.24Å; L109-L113 PolarHBondContact O-N 3.29Å; K110-L113 PolarHBondContact O-N 3.26Å; L113-E115 VanDerWaalsContact C-N 3.3Å; L113-E115 HydrophobicContact CB-CG 4.29Å
114G72Confident79.5Confident70 Ų7097.5 Ų97.572%0.72251%0.507SS*.THydrogen-bonded Turntrans68.528.6-178.600000113.3K110 L112K110-G114 PolarHBondContact O-N 3.27Å; L112-G114 VanDerWaalsContact C-N 3.34Å
115E60.2Low78.8Confident195 Ų19598.4 Ų98.491%0.91152%0.516SS*.  trans-86.90172.1-66.8-173.316700111.5K110 L113K110-E115 PolarHBondContact O-N 3.12Å; L113-E115 VanDerWaalsContact C-N 3.3Å; L113-E115 HydrophobicContact CB-CG 4.29Å

Retrieved 115 of 115 residues in 261.7 ms (Link to these results)

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