A0A5K4F169_SCHMA Loading...

Protein regulator of cytokinesis 1

AlphaFold DB , UniProt , Accession A0A5K4F169, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 589 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
1M53.7Low79Confident156 Ų156115.2 Ų115.277%0.76857%0.565SS**  0116.20-137.3-179.6-35.900106.1E5 L6M1-E5 HydrophobicContact CG-CB 4.22Å; M1-L6 HydrophobicContact CB-CD1 4.37Å; M1-L6 HydrophobicContact CB-CG 4.3Å; M1-L6 HydrophobicContact CE-CD2 3.76Å; M1-L6 HydrophobicContact CE-CG 4.32Å; M1-L6 HydrophobicContact CG-CD2 4.45Å; M1-L6 HydrophobicContact CG-CG 4.09Å; M1-L6 HydrophobicContact SD-CD1 4.38Å; M1-L6 HydrophobicContact SD-CD2 3.25Å; M1-L6 WeakPolarHBondContact SD-CD2 3.43Å; M1-L6 HydrophobicContact SD-CG 3.52Å; M1-L6 VanDerWaalsContact SD-CG 3.52Å
2E73.1Confident79.7Confident133 Ų133114.8 Ų114.862%0.62156%0.561SS**  trans-69.3144.7176.8-67.8177.8171.800108.1E4 E5 L6E2-E4 PolarHBondContact O-N 2.88Å; E2-E4 VanDerWaalsContact O-N 3.07Å; E2-E5 PolarHBondContact N-OE2 3.49Å; E2-E5 WeakPolarHBondContact O-CB 3.43Å; E2-E5 PolarHBondContact O-N 2.99Å; E2-L6 PolarHBondContact O-N 3.4Å
3T77.6Confident80.2Confident106 Ų106111.8 Ų111.865%0.6556%0.559SS**Hα-helixtrans-52.1-33.9179.347.90000111.5E5 L6 E7T3-E5 PolarHBondContact O-N 3.26Å; T3-L6 PolarHBondContact O-N 3.2Å; T3-E7 WeakPolarHBondContact O-CB 3.3Å; T3-E7 WeakPolarHBondContact O-CG 3.44Å; T3-E7 PolarHBondContact O-N 3.32Å
4E81.8Confident80.6Confident112 Ų112106.8 Ų106.852%0.52353%0.534SS..Hα-helixtrans-64.3-35.3175.8-62.9-168.5-176.800114.2E2 K8E2-E4 PolarHBondContact O-N 2.88Å; E2-E4 VanDerWaalsContact O-N 3.07Å; E4-K8 WeakPolarHBondContact O-CB 3.45Å; E4-K8 WeakPolarHBondContact O-CD 3.45Å; E4-K8 WeakPolarHBondContact O-CG 3.41Å; E4-K8 PolarHBondContact O-N 3.33Å; E4-K8 IonicContact OE2-NZ 3.95Å
5E83.8Confident81.1Confident100 Ų100108 Ų10847%0.46753%0.53SS..Hα-helixtrans-69.6-45.1177.3-71.8-179142.600110.6M1 E2 T3 E7 K8 E9M1-E5 HydrophobicContact CG-CB 4.22Å; E2-E5 PolarHBondContact N-OE2 3.49Å; E2-E5 WeakPolarHBondContact O-CB 3.43Å; E2-E5 PolarHBondContact O-N 2.99Å; T3-E5 PolarHBondContact O-N 3.26Å; E5-E7 VanDerWaalsContact C-N 3.33Å; E5-E7 PolarHBondContact O-N 3.11Å; E5-K8 PolarHBondContact O-N 3.01Å; E5-E9 PolarHBondContact O-N 2.85Å
6L77.6Confident81.6Confident85 Ų85106 Ų10645%0.44553%0.528SS..Hα-helixtrans-59.3-44.1175.5-77.8168000111.5M1 E2 T3 E9 L10M1-L6 HydrophobicContact CB-CD1 4.37Å; M1-L6 HydrophobicContact CB-CG 4.3Å; M1-L6 HydrophobicContact CE-CD2 3.76Å; M1-L6 HydrophobicContact CE-CG 4.32Å; M1-L6 HydrophobicContact CG-CD2 4.45Å; M1-L6 HydrophobicContact CG-CG 4.09Å; M1-L6 HydrophobicContact SD-CD1 4.38Å; M1-L6 HydrophobicContact SD-CD2 3.25Å; M1-L6 WeakPolarHBondContact SD-CD2 3.43Å; M1-L6 HydrophobicContact SD-CG 3.52Å; M1-L6 VanDerWaalsContact SD-CG 3.52Å; E2-L6 PolarHBondContact O-N 3.4Å; T3-L6 PolarHBondContact O-N 3.2Å; L6-E9 PolarHBondContact O-N 3.33Å; L6-L10 VanDerWaalsContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CB 3.37Å; L6-L10 PolarHBondContact O-N 3.09Å
7E82.3Confident81.8Confident120 Ų120104.5 Ų104.556%0.56153%0.53SS*.Hα-helixtrans-62.1-43.9175.3-76.2177.8-170.100111.8T3 E5 L10 I11T3-E7 WeakPolarHBondContact O-CB 3.3Å; T3-E7 WeakPolarHBondContact O-CG 3.44Å; T3-E7 PolarHBondContact O-N 3.32Å; E5-E7 VanDerWaalsContact C-N 3.33Å; E5-E7 PolarHBondContact O-N 3.11Å; E7-L10 PolarHBondContact O-N 3.19Å; E7-I11 WeakPolarHBondContact O-CB 3.37Å; E7-I11 WeakPolarHBondContact O-CD1 3.45Å; E7-I11 WeakPolarHBondContact O-CG1 3.27Å; E7-I11 PolarHBondContact O-N 3.19Å
8K85.8Confident81.8Confident131 Ų131101.9 Ų101.957%0.5752%0.517SS*.Hα-helixtrans-62.5-45.3177-76.1166.2-170158.30111.8E4 E5 I11 Q12E4-K8 WeakPolarHBondContact O-CB 3.45Å; E4-K8 WeakPolarHBondContact O-CD 3.45Å; E4-K8 WeakPolarHBondContact O-CG 3.41Å; E4-K8 PolarHBondContact O-N 3.33Å; E4-K8 IonicContact OE2-NZ 3.95Å; E5-K8 PolarHBondContact O-N 3.01Å; K8-I11 PolarHBondContact O-N 3.34Å; K8-Q12 WeakPolarHBondContact O-CB 3.34Å; K8-Q12 PolarHBondContact O-N 3.42Å
9E85.9Confident82.1Confident132 Ų132100.9 Ų100.962%0.61751%0.513SS*.Hα-helixtrans-63.1-44.8176.9-75.1-165.916400111.9E5 L6 I11 Q12 S13E5-E9 PolarHBondContact O-N 2.85Å; L6-E9 PolarHBondContact O-N 3.33Å; E9-I11 PolarHBondContact O-N 3.45Å; E9-Q12 PolarHBondContact O-N 3.19Å; E9-S13 WeakPolarHBondContact O-CB 3.46Å; E9-S13 PolarHBondContact O-N 2.81Å; E9-S13 PolarHBondContact O-OG 3.4Å
10L82.4Confident82.4Confident101 Ų101100.7 Ų100.753%0.52951%0.51SS..Hα-helixtrans-60.6-48.7177.7-174.867000110.9L6 E7 Q12 S13 I14L6-L10 VanDerWaalsContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CB 3.37Å; L6-L10 PolarHBondContact O-N 3.09Å; E7-L10 PolarHBondContact O-N 3.19Å; L10-Q12 VanDerWaalsContact C-N 3.33Å; L10-Q12 PolarHBondContact O-N 2.89Å; L10-S13 PolarHBondContact O-N 3.14Å; L10-S13 PolarHBondContact O-OG 3.49Å; L10-I14 HydrophobicContact CD1-CD1 4.05Å; L10-I14 HydrophobicContact CG-CD1 4.03Å; L10-I14 WeakPolarHBondContact O-CG1 3.5Å; L10-I14 PolarHBondContact O-N 2.95Å
11I85.2Confident82.4Confident91 Ų9198.1 Ų98.147%0.46750%0.498SS..Hα-helixtrans-61.3-42.9177.4-68.8166.2000110.8E7 K8 E9 S13 I14 R15E7-I11 WeakPolarHBondContact O-CB 3.37Å; E7-I11 WeakPolarHBondContact O-CD1 3.45Å; E7-I11 WeakPolarHBondContact O-CG1 3.27Å; E7-I11 PolarHBondContact O-N 3.19Å; K8-I11 PolarHBondContact O-N 3.34Å; E9-I11 PolarHBondContact O-N 3.45Å; I11-S13 VanDerWaalsContact C-N 3.33Å; I11-S13 PolarHBondContact O-N 2.91Å; I11-I14 PolarHBondContact O-N 3.33Å; I11-R15 VanDerWaalsContact O-CB 3.32Å; I11-R15 WeakPolarHBondContact O-CB 3.25Å; I11-R15 PolarHBondContact O-N 3.14Å
12Q87.4Confident83.7Confident111 Ų11193.8 Ų93.852%0.51948%0.477SS..Hα-helixtrans-67.3-33.7-179.1-171.560.918.700112.3K8 E9 L10 P16K8-Q12 WeakPolarHBondContact O-CB 3.34Å; K8-Q12 PolarHBondContact O-N 3.42Å; E9-Q12 PolarHBondContact O-N 3.19Å; L10-Q12 VanDerWaalsContact C-N 3.33Å; L10-Q12 PolarHBondContact O-N 2.89Å; Q12-P16 WeakPolarHBondContact O-CD 3.47Å
13S85.7Confident84.4Confident75 Ų7595.6 Ų95.652%0.52448%0.478SS..Hα-helixtrans-69.8-33.8176.173.90000113.2E9 L10 I11E9-S13 WeakPolarHBondContact O-CB 3.46Å; E9-S13 PolarHBondContact O-N 2.81Å; E9-S13 PolarHBondContact O-OG 3.4Å; L10-S13 PolarHBondContact O-N 3.14Å; L10-S13 PolarHBondContact O-OG 3.49Å; I11-S13 VanDerWaalsContact C-N 3.33Å; I11-S13 PolarHBondContact O-N 2.91Å
14I85.7Confident84.8Confident42 Ų4294.7 Ų94.722%0.21547%0.468CS..Hα-helixtrans-85.5-27.7-177.9-63.1166.4000111.8L10 I11 S17 L18 F42 L46L10-I14 HydrophobicContact CD1-CD1 4.05Å; L10-I14 HydrophobicContact CG-CD1 4.03Å; L10-I14 WeakPolarHBondContact O-CG1 3.5Å; L10-I14 PolarHBondContact O-N 2.95Å; I11-I14 PolarHBondContact O-N 3.33Å; I14-S17 PolarHBondContact O-N 3.44Å; I14-S17 VanDerWaalsContact O-N 3.15Å; I14-L18 PolarHBondContact O-N 2.84Å; I14-F42 HydrophobicContact CG2-CE1 4.05Å; I14-F42 HydrophobicContact CG2-CZ 3.95Å; I14-L46 HydrophobicContact CD1-CD1 4.13Å; I14-L46 HydrophobicContact CD1-CD2 4.42Å
15R87.9Confident85Confident125 Ų12589.9 Ų89.947%0.47245%0.446SS..Hα-helixtrans-54.7-43.7-175.1177.8173.1-75.6149.5-6.1114.7I11 L18 N19I11-R15 VanDerWaalsContact O-CB 3.32Å; I11-R15 WeakPolarHBondContact O-CB 3.25Å; I11-R15 PolarHBondContact O-N 3.14Å; R15-L18 PolarHBondContact O-N 3.12Å; R15-N19 PolarHBondContact O-N 3.25Å; R15-N19 PolarHBondContact O-ND2 3.12Å
16P89.4Confident85.1Confident76 Ų7690 Ų9049%0.49445%0.449SS..Hα-helixtrans-60.2-44.3175.3-24.234000113Q12 L18 N19 E20Q12-P16 WeakPolarHBondContact O-CD 3.47Å; P16-L18 VanDerWaalsContact C-N 3.33Å; P16-L18 PolarHBondContact O-N 3.3Å; P16-N19 PolarHBondContact O-N 3.07Å; P16-E20 PolarHBondContact O-N 3.33Å
17S84.5Confident85.5Confident81 Ų8196 Ų9657%0.56647%0.468SS*.Hα-helixtrans-65.7-36.9178.6-55.70000111.9I14 E20 L21I14-S17 PolarHBondContact O-N 3.44Å; I14-S17 VanDerWaalsContact O-N 3.15Å; S17-E20 PolarHBondContact O-N 2.86Å; S17-L21 WeakPolarHBondContact O-CB 3.14Å; S17-L21 PolarHBondContact O-N 3.4Å
18L83.4Confident85.7Confident57 Ų5793.9 Ų93.930%0.29846%0.463SS..Hα-helixtrans-65-42.8173.4-168.282.8000111.6I14 R15 P16 E20 L21 L22 L39I14-L18 PolarHBondContact O-N 2.84Å; R15-L18 PolarHBondContact O-N 3.12Å; P16-L18 VanDerWaalsContact C-N 3.33Å; P16-L18 PolarHBondContact O-N 3.3Å; L18-E20 VanDerWaalsContact C-N 3.32Å; L18-E20 PolarHBondContact O-N 3.24Å; L18-L21 WeakPolarHBondContact O-CB 3.28Å; L18-L21 PolarHBondContact O-N 2.78Å; L18-L22 WeakPolarHBondContact O-CG 3.34Å; L18-L22 PolarHBondContact O-N 3.15Å; L18-L39 HydrophobicContact CD1-CD1 3.95Å
19N86.5Confident85.5Confident83 Ų8390.3 Ų90.344%0.44446%0.463SS..Hα-helixtrans-62.7-39.9177.6-74.1-22.5000112R15 P16 L22 R23R15-N19 PolarHBondContact O-N 3.25Å; R15-N19 PolarHBondContact O-ND2 3.12Å; P16-N19 PolarHBondContact O-N 3.07Å; N19-L22 PolarHBondContact O-N 3.04Å; N19-R23 PolarHBondContact O-N 3.42Å
20E87.4Confident85.2Confident96 Ų9687 Ų8745%0.44945%0.446SS..Hα-helixtrans-67.3-40.6176.1-166.162.7-168.500111.6P16 S17 L18 L22 R23 I24P16-E20 PolarHBondContact O-N 3.33Å; S17-E20 PolarHBondContact O-N 2.86Å; L18-E20 VanDerWaalsContact C-N 3.32Å; L18-E20 PolarHBondContact O-N 3.24Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-L22 PolarHBondContact O-N 3.32Å; E20-R23 WeakPolarHBondContact O-CB 3.47Å; E20-R23 PolarHBondContact O-N 3.3Å; E20-R23 IonicContact OE2-NH1 2.79Å; E20-R23 PolarHBondContact OE2-NH1 3.13Å; E20-I24 WeakPolarHBondContact O-CG1 3.41Å; E20-I24 PolarHBondContact O-N 3.42Å
21L82.9Confident85.3Confident48 Ų4886.1 Ų86.125%0.25144%0.441SS..Hα-helixtrans-60.2-40.4173.6-174.864.7000112.2S17 L18 I24 W25S17-L21 WeakPolarHBondContact O-CB 3.14Å; S17-L21 PolarHBondContact O-N 3.4Å; L18-L21 WeakPolarHBondContact O-CB 3.28Å; L18-L21 PolarHBondContact O-N 2.78Å; L21-I24 PolarHBondContact O-N 3.23Å; L21-W25 HydrophobicContact CD1-CZ2 3.88Å; L21-W25 HydrophobicContact CD2-CH2 3.74Å; L21-W25 HydrophobicContact CD2-CZ2 3.46Å; L21-W25 VanDerWaalsContact CD2-CZ2 3.46Å; L21-W25 HydrophobicContact CG-CD2 4.23Å; L21-W25 HydrophobicContact CG-CH2 4.05Å; L21-W25 HydrophobicContact CG-CZ2 3.52Å; L21-W25 VanDerWaalsContact O-CG 3.27Å; L21-W25 PolarHBondContact O-N 3.12Å
22L82.1Confident85.1Confident65 Ų6591 Ų9134%0.3446%0.459SS..Hα-helixtrans-63.2-44.1174.7-71.6172.2000111.8L18 N19 E20 I24 W25 D26L18-L22 WeakPolarHBondContact O-CG 3.34Å; L18-L22 PolarHBondContact O-N 3.15Å; N19-L22 PolarHBondContact O-N 3.04Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-L22 PolarHBondContact O-N 3.32Å; L22-I24 VanDerWaalsContact C-N 3.32Å; L22-I24 PolarHBondContact O-N 3.42Å; L22-W25 HydrophobicContact CD2-CE3 3.94Å; L22-W25 HydrophobicContact CD2-CZ3 4.14Å; L22-W25 PolarHBondContact O-N 3.13Å; L22-W25 VanDerWaalsContact O-N 3.15Å; L22-D26 PolarHBondContact O-N 3.39Å
23R87.5Confident84.9Confident171 Ų17191.3 Ų91.365%0.64546%0.463SS*.Hα-helixtrans-58.8-42.2174.9-76.2177.3175.8168.4-3.8112.4N19 E20 W25 D26 Y27N19-R23 PolarHBondContact O-N 3.42Å; E20-R23 WeakPolarHBondContact O-CB 3.47Å; E20-R23 PolarHBondContact O-N 3.3Å; E20-R23 IonicContact OE2-NH1 2.79Å; E20-R23 PolarHBondContact OE2-NH1 3.13Å; R23-W25 VanDerWaalsContact C-N 3.35Å; R23-D26 PolarHBondContact O-N 3.02Å; R23-Y27 WeakPolarHBondContact O-CB 3.37Å; R23-Y27 PolarHBondContact O-N 3.06Å
24I85.7Confident84.7Confident86 Ų8690.9 Ų90.944%0.44145%0.453SS..Hα-helixtrans-63.1-43.1176-65.5165.5000110.4E20 L21 L22 D26 Y27 V28E20-I24 WeakPolarHBondContact O-CG1 3.41Å; E20-I24 PolarHBondContact O-N 3.42Å; L21-I24 PolarHBondContact O-N 3.23Å; L22-I24 VanDerWaalsContact C-N 3.32Å; L22-I24 PolarHBondContact O-N 3.42Å; I24-D26 VanDerWaalsContact C-N 3.35Å; I24-D26 PolarHBondContact O-N 2.91Å; I24-Y27 PolarHBondContact O-N 3.06Å; I24-V28 HydrophobicContact CG2-CG2 4.38Å; I24-V28 WeakPolarHBondContact O-CG2 3.39Å; I24-V28 PolarHBondContact O-N 2.99Å
25W85.2Confident84.6Confident12 Ų1292 Ų925%0.04546%0.455CS..Hα-helixtrans-68.2-33178.7-66.9-7.4000113.7L21 L22 R23 G29 Y30 R35 R38 L39L21-W25 HydrophobicContact CD1-CZ2 3.88Å; L21-W25 HydrophobicContact CD2-CH2 3.74Å; L21-W25 HydrophobicContact CD2-CZ2 3.46Å; L21-W25 VanDerWaalsContact CD2-CZ2 3.46Å; L21-W25 HydrophobicContact CG-CD2 4.23Å; L21-W25 HydrophobicContact CG-CH2 4.05Å; L21-W25 HydrophobicContact CG-CZ2 3.52Å; L21-W25 VanDerWaalsContact O-CG 3.27Å; L21-W25 PolarHBondContact O-N 3.12Å; L22-W25 HydrophobicContact CD2-CE3 3.94Å; L22-W25 HydrophobicContact CD2-CZ3 4.14Å; L22-W25 PolarHBondContact O-N 3.13Å; L22-W25 VanDerWaalsContact O-N 3.15Å; R23-W25 VanDerWaalsContact C-N 3.35Å; W25-G29 PolarHBondContact O-N 2.94Å; W25-Y30 HydrophobicContact CB-CD2 4.01Å; W25-Y30 AromaticContact CD1-CD2 3.41Å; W25-Y30 VanDerWaalsContact CD1-CD2 3.41Å; W25-Y30 AromaticContact CD1-CE2 3.66Å; W25-Y30 AromaticContact CG-CD2 3.8Å; W25-Y30 HydrophobicContact CG-CD2 3.8Å; W25-Y30 HydrophobicContact CG-CE2 4.46Å; W25-Y30 PolarHBondContact O-N 3.19Å; W25-R35 HydrophobicContact CB-CG 4.31Å; W25-R35 HydrophobicContact CD2-CB 4.43Å; W25-R35 HydrophobicContact CD2-CG 3.99Å; W25-R35 HydrophobicContact CE3-CB 3.75Å; W25-R35 HydrophobicContact CE3-CG 3.58Å; W25-R35 HydrophobicContact CG-CG 4.35Å; W25-R35 WeakPolarHBondContact CH2-O 3.41Å; W25-R35 HydrophobicContact CZ3-CB 3.84Å; W25-R35 HydrophobicContact CZ3-CG 4.21Å; W25-R35 PolarHBondContact O-NH2 3.19Å; W25-R38 HydrophobicContact CH2-CB 4.13Å; W25-R38 HydrophobicContact CZ2-CB 3.46Å; W25-R38 VanDerWaalsContact CZ2-CB 3.46Å; W25-L39 HydrophobicContact CH2-CB 4.01Å
26D85.8Confident84.4Confident101 Ų10189 Ų8954%0.5445%0.453SS..Hα-helixtrans-67.1-40.6171.9-69.6-25000111.1L22 R23 I24 R35L22-D26 PolarHBondContact O-N 3.39Å; R23-D26 PolarHBondContact O-N 3.02Å; I24-D26 VanDerWaalsContact C-N 3.35Å; I24-D26 PolarHBondContact O-N 2.91Å; D26-R35 IonicContact OD1-CZ 2.71Å; D26-R35 IonicContact OD1-NH1 3.47Å; D26-R35 PolarHBondContact OD1-NH1 3.04Å; D26-R35 IonicContact OD1-NH2 2.77Å; D26-R35 PolarHBondContact OD1-NH2 3.46Å
27Y87.7Confident84.2Confident212 Ų21290.4 Ų90.483%0.83145%0.453SS*.Hα-helixtrans-66.1-41.7176.3-178.4-100.9000113.1R23 I24R23-Y27 WeakPolarHBondContact O-CB 3.37Å; R23-Y27 PolarHBondContact O-N 3.06Å; I24-Y27 PolarHBondContact O-N 3.06Å
28V84.6Confident84.2Confident76 Ų7691 Ų9146%0.46144%0.443SS..Hα-helixtrans-79.6-22.9-179.6179.90000112.5I24 Y30I24-V28 HydrophobicContact CG2-CG2 4.38Å; I24-V28 WeakPolarHBondContact O-CG2 3.39Å; I24-V28 PolarHBondContact O-N 2.99Å; V28-Y30 HydrophobicContact CB-CD2 4.14Å; V28-Y30 HydrophobicContact CB-CE2 3.85Å; V28-Y30 HydrophobicContact CG1-CD1 4.07Å; V28-Y30 HydrophobicContact CG1-CD2 4.2Å; V28-Y30 HydrophobicContact CG1-CE1 3.57Å; V28-Y30 HydrophobicContact CG1-CE2 3.74Å; V28-Y30 HydrophobicContact CG1-CG 4.35Å; V28-Y30 HydrophobicContact CG2-CE2 4.3Å
29G83.4Confident84.2Confident56 Ų5691.5 Ų91.558%0.57745%0.445SS*.THydrogen-bonded Turntrans81.228.8179.100000114.7W25W25-G29 PolarHBondContact O-N 2.94Å
30Y79.5Confident84.3Confident63 Ų6393.9 Ų93.925%0.24745%0.454CS..  trans-61.6138.2178.4-67-52.5000112.4W25 V28 E34 R35 R38W25-Y30 HydrophobicContact CB-CD2 4.01Å; W25-Y30 AromaticContact CD1-CD2 3.41Å; W25-Y30 VanDerWaalsContact CD1-CD2 3.41Å; W25-Y30 AromaticContact CD1-CE2 3.66Å; W25-Y30 AromaticContact CG-CD2 3.8Å; W25-Y30 HydrophobicContact CG-CD2 3.8Å; W25-Y30 HydrophobicContact CG-CE2 4.46Å; W25-Y30 PolarHBondContact O-N 3.19Å; V28-Y30 HydrophobicContact CB-CD2 4.14Å; V28-Y30 HydrophobicContact CB-CE2 3.85Å; V28-Y30 HydrophobicContact CG1-CD1 4.07Å; V28-Y30 HydrophobicContact CG1-CD2 4.2Å; V28-Y30 HydrophobicContact CG1-CE1 3.57Å; V28-Y30 HydrophobicContact CG1-CE2 3.74Å; V28-Y30 HydrophobicContact CG1-CG 4.35Å; V28-Y30 HydrophobicContact CG2-CE2 4.3Å; Y30-E34 WeakPolarHBondContact CA-OE2 3.42Å; Y30-E34 WeakPolarHBondContact CD1-OE2 3.28Å; Y30-R35 PolarHBondContact O-NE 3.46Å; Y30-R38 VanDerWaalsContact CE1-CZ 3.5Å; Y30-R38 VanDerWaalsContact CE1-NH2 3.35Å; Y30-R38 VanDerWaalsContact CZ-CZ 3.46Å; Y30-R38 PolarHBondContact OH-NH2 3.04Å
31N83.9Confident84.3Confident82 Ų8295.9 Ų95.944%0.43946%0.463SS..  trans-71.8166.1178.272.544000111.9L33 E34 R35N31-L33 VanDerWaalsContact C-N 3.26Å; N31-L33 PolarHBondContact O-N 2.94Å; N31-L33 WeakPolarHBondContact OD1-CB 3.39Å; N31-L33 PolarHBondContact OD1-N 3.03Å; N31-E34 PolarHBondContact N-OE2 3.14Å; N31-E34 PolarHBondContact O-N 2.98Å; N31-E34 WeakPolarHBondContact OD1-CB 3.25Å; N31-E34 WeakPolarHBondContact OD1-CG 3.11Å; N31-E34 PolarHBondContact OD1-N 2.92Å; N31-R35 WeakPolarHBondContact O-CG 3.49Å; N31-R35 PolarHBondContact O-N 2.62Å
32K80.9Confident84.4Confident194 Ų19496.7 Ų96.784%0.84347%0.465SS*.Hα-helixtrans-57.8-36.3-177-71.9-175.9178.4-179.80113.3S36K32-S36 PolarHBondContact O-N 3.44Å
33L82.2Confident84.6Confident116 Ų11696.4 Ų96.461%0.60747%0.465SS*.Hα-helixtrans-69.2-45.1-179.7-175.768000111N31 S36 Q37N31-L33 VanDerWaalsContact C-N 3.26Å; N31-L33 PolarHBondContact O-N 2.94Å; N31-L33 WeakPolarHBondContact OD1-CB 3.39Å; N31-L33 PolarHBondContact OD1-N 3.03Å; L33-S36 WeakPolarHBondContact O-CB 3.4Å; L33-S36 PolarHBondContact O-N 2.9Å; L33-Q37 WeakPolarHBondContact O-CG 3.42Å; L33-Q37 PolarHBondContact O-N 2.74Å
34E83.3Confident84.8Confident67 Ų6795 Ų9531%0.31346%0.464SS..Hα-helixtrans-62.8-41.1176.9-74.7171.9161.900112.3Y30 N31 Q37 R38Y30-E34 WeakPolarHBondContact CA-OE2 3.42Å; Y30-E34 WeakPolarHBondContact CD1-OE2 3.28Å; N31-E34 PolarHBondContact N-OE2 3.14Å; N31-E34 PolarHBondContact O-N 2.98Å; N31-E34 WeakPolarHBondContact OD1-CB 3.25Å; N31-E34 WeakPolarHBondContact OD1-CG 3.11Å; N31-E34 PolarHBondContact OD1-N 2.92Å; E34-Q37 PolarHBondContact O-N 2.95Å; E34-R38 WeakPolarHBondContact O-CB 3.49Å; E34-R38 WeakPolarHBondContact O-CG 3.35Å; E34-R38 PolarHBondContact O-N 3.28Å
35R83.6Confident85Confident64 Ų6497.1 Ų97.124%0.24247%0.47CS..Hα-helixtrans-61.3-45.4173.1-67.6-178.2-171.7-149.2-3.9110.9W25 D26 Y30 N31 Q37 R38 L39W25-R35 HydrophobicContact CB-CG 4.31Å; W25-R35 HydrophobicContact CD2-CB 4.43Å; W25-R35 HydrophobicContact CD2-CG 3.99Å; W25-R35 HydrophobicContact CE3-CB 3.75Å; W25-R35 HydrophobicContact CE3-CG 3.58Å; W25-R35 HydrophobicContact CG-CG 4.35Å; W25-R35 WeakPolarHBondContact CH2-O 3.41Å; W25-R35 HydrophobicContact CZ3-CB 3.84Å; W25-R35 HydrophobicContact CZ3-CG 4.21Å; W25-R35 PolarHBondContact O-NH2 3.19Å; D26-R35 IonicContact OD1-CZ 2.71Å; D26-R35 IonicContact OD1-NH1 3.47Å; D26-R35 PolarHBondContact OD1-NH1 3.04Å; D26-R35 IonicContact OD1-NH2 2.77Å; D26-R35 PolarHBondContact OD1-NH2 3.46Å; Y30-R35 PolarHBondContact O-NE 3.46Å; N31-R35 WeakPolarHBondContact O-CG 3.49Å; N31-R35 PolarHBondContact O-N 2.62Å; R35-Q37 PolarHBondContact O-N 3.4Å; R35-R38 PolarHBondContact O-N 2.86Å; R35-L39 VanDerWaalsContact O-CB 3.28Å; R35-L39 WeakPolarHBondContact O-CB 3.37Å; R35-L39 PolarHBondContact O-N 3.46Å
36S82.9Confident85.1Confident62 Ų6299.8 Ų99.843%0.43449%0.485SS..Hα-helixtrans-62.6-42177.5-171.80000112.5K32 L33 L39 Q40K32-S36 PolarHBondContact O-N 3.44Å; L33-S36 WeakPolarHBondContact O-CB 3.4Å; L33-S36 PolarHBondContact O-N 2.9Å; S36-L39 PolarHBondContact O-N 3.22Å; S36-Q40 WeakPolarHBondContact O-CB 3.44Å; S36-Q40 PolarHBondContact O-N 3.42Å
37Q86.1Confident85.3Confident106 Ų106100.4 Ų100.450%0.49548%0.484SS..Hα-helixtrans-65.3-44.8177.3-73.8174.4-7.900111.6L33 E34 R35 L39 Q40 H41L33-Q37 WeakPolarHBondContact O-CG 3.42Å; L33-Q37 PolarHBondContact O-N 2.74Å; E34-Q37 PolarHBondContact O-N 2.95Å; R35-Q37 PolarHBondContact O-N 3.4Å; Q37-L39 VanDerWaalsContact C-N 3.35Å; Q37-Q40 PolarHBondContact O-N 3.46Å; Q37-H41 PolarHBondContact O-N 2.99Å
38R83.3Confident85.5Confident94 Ų9493.2 Ų93.236%0.35546%0.463SS..Hα-helixtrans-65.2-37.9175.6-73-177.516982.20.3112W25 Y30 E34 R35 H41 F42W25-R38 HydrophobicContact CH2-CB 4.13Å; W25-R38 HydrophobicContact CZ2-CB 3.46Å; W25-R38 VanDerWaalsContact CZ2-CB 3.46Å; Y30-R38 VanDerWaalsContact CE1-CZ 3.5Å; Y30-R38 VanDerWaalsContact CE1-NH2 3.35Å; Y30-R38 VanDerWaalsContact CZ-CZ 3.46Å; Y30-R38 PolarHBondContact OH-NH2 3.04Å; E34-R38 WeakPolarHBondContact O-CB 3.49Å; E34-R38 WeakPolarHBondContact O-CG 3.35Å; E34-R38 PolarHBondContact O-N 3.28Å; R35-R38 PolarHBondContact O-N 2.86Å; R38-H41 WeakPolarHBondContact O-CB 3.44Å; R38-H41 PolarHBondContact O-N 3.42Å; R38-F42 PolarHBondContact O-N 3.17Å
39L84.5Confident85.9Confident67 Ų6792.7 Ų92.735%0.35146%0.459SS..Hα-helixtrans-65.1-45.7174.2-174.862.5000111.5L18 W25 R35 S36 Q37 H41 F42 V43L18-L39 HydrophobicContact CD1-CD1 3.95Å; W25-L39 HydrophobicContact CH2-CB 4.01Å; R35-L39 VanDerWaalsContact O-CB 3.28Å; R35-L39 WeakPolarHBondContact O-CB 3.37Å; R35-L39 PolarHBondContact O-N 3.46Å; S36-L39 PolarHBondContact O-N 3.22Å; Q37-L39 VanDerWaalsContact C-N 3.35Å; L39-H41 VanDerWaalsContact C-N 3.25Å; L39-H41 PolarHBondContact O-N 3.06Å; L39-F42 HydrophobicContact CD1-CD1 4.41Å; L39-F42 WeakPolarHBondContact O-CB 3.41Å; L39-F42 PolarHBondContact O-N 2.95Å; L39-F42 VanDerWaalsContact O-N 3.11Å; L39-V43 WeakPolarHBondContact O-CG2 3.38Å; L39-V43 PolarHBondContact O-N 2.85Å
40Q86.9Confident86.2Confident134 Ų13494.7 Ų94.763%0.62646%0.456SS*.Hα-helixtrans-58.1-39.3173-88.5-172.4-2500111.8S36 Q37 V43 K44S36-Q40 WeakPolarHBondContact O-CB 3.44Å; S36-Q40 PolarHBondContact O-N 3.42Å; Q37-Q40 PolarHBondContact O-N 3.46Å; Q40-V43 PolarHBondContact O-N 2.92Å; Q40-K44 VanDerWaalsContact O-CB 3.3Å; Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 PolarHBondContact O-N 3.38Å
41H87.9Confident86.8Confident138 Ų13894.8 Ų94.864%0.63947%0.466SS*.Hα-helixtrans-62.1-42.7174.8-174.379.6000112Q37 R38 L39 K44 K45Q37-H41 PolarHBondContact O-N 2.99Å; R38-H41 WeakPolarHBondContact O-CB 3.44Å; R38-H41 PolarHBondContact O-N 3.42Å; L39-H41 VanDerWaalsContact C-N 3.25Å; L39-H41 PolarHBondContact O-N 3.06Å; H41-K44 PolarHBondContact O-N 3.34Å; H41-K45 PolarHBondContact O-N 3.48Å
42F85.7Confident87.3Confident65 Ų6596.1 Ų96.129%0.28547%0.469SS..Hα-helixtrans-64.4-45.2174.2174.5-105.9000112.6I14 R38 L39 K44 K45 L46I14-F42 HydrophobicContact CG2-CE1 4.05Å; I14-F42 HydrophobicContact CG2-CZ 3.95Å; R38-F42 PolarHBondContact O-N 3.17Å; L39-F42 HydrophobicContact CD1-CD1 4.41Å; L39-F42 WeakPolarHBondContact O-CB 3.41Å; L39-F42 PolarHBondContact O-N 2.95Å; L39-F42 VanDerWaalsContact O-N 3.11Å; F42-K44 VanDerWaalsContact C-N 3.33Å; F42-K44 PolarHBondContact O-N 3.39Å; F42-K45 CarbonylContact O-C 3.48Å; F42-K45 WeakPolarHBondContact O-CA 3.33Å; F42-K45 WeakPolarHBondContact O-CB 3.48Å; F42-K45 PolarHBondContact O-N 3.02Å; F42-L46 HydrophobicContact CD1-CD1 3.99Å; F42-L46 HydrophobicContact CD1-CG 4.44Å; F42-L46 HydrophobicContact CE1-CD1 3.32Å; F42-L46 HydrophobicContact CE1-CG 3.96Å; F42-L46 HydrophobicContact CE2-CD1 4.39Å; F42-L46 HydrophobicContact CE2-CD2 4.35Å; F42-L46 HydrophobicContact CE2-CG 4.18Å; F42-L46 HydrophobicContact CZ-CD1 3.56Å; F42-L46 HydrophobicContact CZ-CD2 4.03Å; F42-L46 HydrophobicContact CZ-CG 3.81Å; F42-L46 PolarHBondContact O-N 3.33Å
43V86.7Confident87.9Confident59 Ų5990.4 Ų90.436%0.35845%0.45SS..Hα-helixtrans-58.7-46.3175.1171.70000110.4L39 Q40 K45 L46 E47L39-V43 WeakPolarHBondContact O-CG2 3.38Å; L39-V43 PolarHBondContact O-N 2.85Å; Q40-V43 PolarHBondContact O-N 2.92Å; V43-K45 VanDerWaalsContact C-N 3.25Å; V43-K45 PolarHBondContact O-N 3.36Å; V43-L46 WeakPolarHBondContact O-CB 3.43Å; V43-L46 PolarHBondContact O-N 3.39Å; V43-L46 VanDerWaalsContact O-N 3.09Å; V43-E47 HydrophobicContact CG1-CG 4.32Å; V43-E47 WeakPolarHBondContact O-CG 3.49Å; V43-E47 PolarHBondContact O-N 2.93Å
44K90.2Very high88.4Confident140 Ų14089 Ų8961%0.60944%0.442SS*.Hα-helixtrans-59.4-36.9175.2-172.3174.3-176.8175.50112.1Q40 H41 F42 T48Q40-K44 VanDerWaalsContact O-CB 3.3Å; Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 PolarHBondContact O-N 3.38Å; H41-K44 PolarHBondContact O-N 3.34Å; F42-K44 VanDerWaalsContact C-N 3.33Å; F42-K44 PolarHBondContact O-N 3.39Å; K44-T48 WeakPolarHBondContact O-CB 3.42Å; K44-T48 PolarHBondContact O-N 3.03Å; K44-T48 PolarHBondContact O-OG1 3.01Å
45K90.2Very high88.9Confident132 Ų13292.9 Ų92.957%0.57446%0.458SS*.Hα-helixtrans-66.5-43.3174.7-171.668.1177.5174.90111.3H41 F42 V43 T48 V49H41-K45 PolarHBondContact O-N 3.48Å; F42-K45 CarbonylContact O-C 3.48Å; F42-K45 WeakPolarHBondContact O-CA 3.33Å; F42-K45 WeakPolarHBondContact O-CB 3.48Å; F42-K45 PolarHBondContact O-N 3.02Å; V43-K45 VanDerWaalsContact C-N 3.25Å; V43-K45 PolarHBondContact O-N 3.36Å; K45-T48 WeakPolarHBondContact O-CB 3.37Å; K45-T48 PolarHBondContact O-N 3.35Å; K45-V49 WeakPolarHBondContact O-CG2 3.49Å; K45-V49 PolarHBondContact O-N 3.15Å
46L87.8Confident89.4Confident67 Ų6796.3 Ų96.335%0.35148%0.477SS..Hα-helixtrans-63.4-45.2174.6-73.5178.8000112.3I14 F42 V43 T48 V49 L50I14-L46 HydrophobicContact CD1-CD1 4.13Å; I14-L46 HydrophobicContact CD1-CD2 4.42Å; F42-L46 HydrophobicContact CD1-CD1 3.99Å; F42-L46 HydrophobicContact CD1-CG 4.44Å; F42-L46 HydrophobicContact CE1-CD1 3.32Å; F42-L46 HydrophobicContact CE1-CG 3.96Å; F42-L46 HydrophobicContact CE2-CD1 4.39Å; F42-L46 HydrophobicContact CE2-CD2 4.35Å; F42-L46 HydrophobicContact CE2-CG 4.18Å; F42-L46 HydrophobicContact CZ-CD1 3.56Å; F42-L46 HydrophobicContact CZ-CD2 4.03Å; F42-L46 HydrophobicContact CZ-CG 3.81Å; F42-L46 PolarHBondContact O-N 3.33Å; V43-L46 WeakPolarHBondContact O-CB 3.43Å; V43-L46 PolarHBondContact O-N 3.39Å; V43-L46 VanDerWaalsContact O-N 3.09Å; L46-T48 PolarHBondContact O-N 3.44Å; L46-V49 PolarHBondContact O-N 3Å; L46-L50 WeakPolarHBondContact O-CB 3.41Å; L46-L50 PolarHBondContact O-N 3.33Å
47E89.7Confident89.8Confident114 Ų11499.7 Ų99.753%0.53349%0.486SS..Hα-helixtrans-57.3-41.3174.3-73.7172.2173.900111.1V43 L50 C51V43-E47 HydrophobicContact CG1-CG 4.32Å; V43-E47 WeakPolarHBondContact O-CG 3.49Å; V43-E47 PolarHBondContact O-N 2.93Å; E47-L50 PolarHBondContact O-N 2.9Å; E47-C51 WeakPolarHBondContact O-CB 3.45Å; E47-C51 PolarHBondContact O-N 2.88Å; E47-C51 PolarHBondContact O-SG 3.42Å
48T93.2Very high90.1Very high62 Ų6298.2 Ų98.238%0.3848%0.481SS..Hα-helixtrans-61.9-48.3176.6-55.50000110.8K44 K45 L46 C51 E52K44-T48 WeakPolarHBondContact O-CB 3.42Å; K44-T48 PolarHBondContact O-N 3.03Å; K44-T48 PolarHBondContact O-OG1 3.01Å; K45-T48 WeakPolarHBondContact O-CB 3.37Å; K45-T48 PolarHBondContact O-N 3.35Å; L46-T48 PolarHBondContact O-N 3.44Å; T48-C51 WeakPolarHBondContact O-CB 3.27Å; T48-C51 PolarHBondContact O-N 3.38Å; T48-E52 WeakPolarHBondContact O-CG 3.44Å; T48-E52 PolarHBondContact O-N 3.16Å
49V92.3Very high90.7Very high64 Ų6496.4 Ų96.439%0.38848%0.483SS..Hα-helixtrans-64.4-43178.6173.60000111.5K45 L46 C51 E52 V53K45-V49 WeakPolarHBondContact O-CG2 3.49Å; K45-V49 PolarHBondContact O-N 3.15Å; L46-V49 PolarHBondContact O-N 3Å; V49-C51 VanDerWaalsContact C-N 3.32Å; V49-C51 PolarHBondContact O-N 3.21Å; V49-E52 WeakPolarHBondContact O-CA 3.33Å; V49-E52 WeakPolarHBondContact O-CB 3.48Å; V49-E52 PolarHBondContact O-N 2.96Å; V49-E52 VanDerWaalsContact O-N 3.08Å; V49-V53 WeakPolarHBondContact O-CG2 3.27Å; V49-V53 PolarHBondContact O-N 3.43Å
50L89.1Confident91.1Very high99 Ų9995.3 Ų95.352%0.51848%0.484SS..Hα-helixtrans-63.7-39.5176.8-176.762.4000111.4L46 E47 E52 V53 I54L46-L50 WeakPolarHBondContact O-CB 3.41Å; L46-L50 PolarHBondContact O-N 3.33Å; E47-L50 PolarHBondContact O-N 2.9Å; L50-E52 VanDerWaalsContact C-N 3.28Å; L50-E52 PolarHBondContact O-N 3.45Å; L50-V53 PolarHBondContact O-N 3.2Å; L50-I54 HydrophobicContact CD1-CD1 4.42Å; L50-I54 HydrophobicContact CG-CD1 3.99Å; L50-I54 WeakPolarHBondContact O-CB 3.33Å; L50-I54 VanDerWaalsContact O-CG1 3.25Å; L50-I54 WeakPolarHBondContact O-CG1 3.14Å; L50-I54 PolarHBondContact O-N 2.94Å
51C93.2Very high91.2Very high65 Ų6594.4 Ų94.444%0.43948%0.475SS..Hα-helixtrans-63.4-34.9172.7-71.20000112.2E47 T48 V49 K55E47-C51 WeakPolarHBondContact O-CB 3.45Å; E47-C51 PolarHBondContact O-N 2.88Å; E47-C51 PolarHBondContact O-SG 3.42Å; T48-C51 WeakPolarHBondContact O-CB 3.27Å; T48-C51 PolarHBondContact O-N 3.38Å; V49-C51 VanDerWaalsContact C-N 3.32Å; V49-C51 PolarHBondContact O-N 3.21Å; C51-K55 WeakPolarHBondContact O-CD 3.25Å; C51-K55 WeakPolarHBondContact O-CG 3.37Å; C51-K55 PolarHBondContact O-N 3.11Å; C51-K55 VanDerWaalsContact O-N 3.09Å
52E94.4Very high91.5Very high110 Ų11092 Ų9251%0.51447%0.467SS..Hα-helixtrans-65.6-47.3173.3-72.2169177.900111T48 V49 L50 I54 K55 E56T48-E52 WeakPolarHBondContact O-CG 3.44Å; T48-E52 PolarHBondContact O-N 3.16Å; V49-E52 WeakPolarHBondContact O-CA 3.33Å; V49-E52 WeakPolarHBondContact O-CB 3.48Å; V49-E52 PolarHBondContact O-N 2.96Å; V49-E52 VanDerWaalsContact O-N 3.08Å; L50-E52 VanDerWaalsContact C-N 3.28Å; L50-E52 PolarHBondContact O-N 3.45Å; E52-I54 PolarHBondContact O-N 3.38Å; E52-K55 WeakPolarHBondContact O-CB 3.36Å; E52-K55 PolarHBondContact O-N 3.06Å; E52-K55 VanDerWaalsContact O-N 3.15Å; E52-E56 PolarHBondContact O-N 3.44Å
53V93.1Very high91.9Very high74 Ų7493 Ų9345%0.44847%0.474SS..Hα-helixtrans-61.2-43.1176.2174.50000111.8V49 L50 K55 E56 E57V49-V53 WeakPolarHBondContact O-CG2 3.27Å; V49-V53 PolarHBondContact O-N 3.43Å; L50-V53 PolarHBondContact O-N 3.2Å; V53-K55 VanDerWaalsContact C-N 3.29Å; V53-K55 PolarHBondContact O-N 3.4Å; V53-E56 WeakPolarHBondContact O-CB 3.16Å; V53-E56 PolarHBondContact O-N 2.96Å; V53-E57 WeakPolarHBondContact O-CB 3.31Å; V53-E57 PolarHBondContact O-N 3.47Å
54I93Very high92Very high85 Ų8592.4 Ų92.444%0.43647%0.468SS..Hα-helixtrans-62.4-38.1176.2-70.9166.3000111.1L50 E52 N58L50-I54 HydrophobicContact CD1-CD1 4.42Å; L50-I54 HydrophobicContact CG-CD1 3.99Å; L50-I54 WeakPolarHBondContact O-CB 3.33Å; L50-I54 VanDerWaalsContact O-CG1 3.25Å; L50-I54 WeakPolarHBondContact O-CG1 3.14Å; L50-I54 PolarHBondContact O-N 2.94Å; E52-I54 PolarHBondContact O-N 3.38Å; I54-N58 WeakPolarHBondContact CG2-ND2 3.41Å; I54-N58 VanDerWaalsContact O-CB 3.3Å; I54-N58 WeakPolarHBondContact O-CB 3.37Å; I54-N58 PolarHBondContact O-N 3.32Å; I54-N58 PolarHBondContact O-ND2 3.33Å
55K94.1Very high92.1Very high149 Ų14989.3 Ų89.365%0.64846%0.455SS*.Hα-helixtrans-66.4-41.6175.4-74.5167.5-175.2177.10111.1C51 E52 V53 S59C51-K55 WeakPolarHBondContact O-CD 3.25Å; C51-K55 WeakPolarHBondContact O-CG 3.37Å; C51-K55 PolarHBondContact O-N 3.11Å; C51-K55 VanDerWaalsContact O-N 3.09Å; E52-K55 WeakPolarHBondContact O-CB 3.36Å; E52-K55 PolarHBondContact O-N 3.06Å; E52-K55 VanDerWaalsContact O-N 3.15Å; V53-K55 VanDerWaalsContact C-N 3.29Å; V53-K55 PolarHBondContact O-N 3.4Å; K55-S59 WeakPolarHBondContact O-CB 3.39Å; K55-S59 PolarHBondContact O-N 2.87Å
56E94Very high92.3Very high136 Ų13688.5 Ų88.564%0.63645%0.454SS*.Hα-helixtrans-62.2-48.6175.8-173174-175.700111.3E52 V53 N58 S59 A60E52-E56 PolarHBondContact O-N 3.44Å; V53-E56 WeakPolarHBondContact O-CB 3.16Å; V53-E56 PolarHBondContact O-N 2.96Å; E56-N58 PolarHBondContact O-N 2.93Å; E56-S59 WeakPolarHBondContact O-CA 3.5Å; E56-S59 WeakPolarHBondContact O-CB 3.45Å; E56-S59 PolarHBondContact O-N 3.48Å; E56-S59 PolarHBondContact O-OG 3.09Å; E56-A60 PolarHBondContact O-N 3.46Å
57E91.1Very high92.6Very high133 Ų13391.3 Ų91.362%0.62146%0.463SS*.Hα-helixtrans-63.5-40.9178.6-168.859.4-142.900112V53 S59 A60 R61V53-E57 WeakPolarHBondContact O-CB 3.31Å; V53-E57 PolarHBondContact O-N 3.47Å; E57-S59 VanDerWaalsContact C-N 3.28Å; E57-S59 PolarHBondContact O-N 3.47Å; E57-A60 PolarHBondContact O-N 2.81Å; E57-R61 PolarHBondContact O-N 3.2Å
58N92.6Very high92.6Very high75 Ų7586.3 Ų86.340%0.40144%0.44SS..Hα-helixtrans-63.3-35.1172.5-82.8-57.3000112.5I54 E56 L62I54-N58 WeakPolarHBondContact CG2-ND2 3.41Å; I54-N58 VanDerWaalsContact O-CB 3.3Å; I54-N58 WeakPolarHBondContact O-CB 3.37Å; I54-N58 PolarHBondContact O-N 3.32Å; I54-N58 PolarHBondContact O-ND2 3.33Å; E56-N58 PolarHBondContact O-N 2.93Å; N58-L62 WeakPolarHBondContact O-CB 3.43Å; N58-L62 PolarHBondContact O-N 3.06Å
59S95Very high92.6Very high56 Ų5687.7 Ų87.739%0.39244%0.442SS..Hα-helixtrans-68.3-39.8175.179.60000111.4K55 E56 E57 L62 I63K55-S59 WeakPolarHBondContact O-CB 3.39Å; K55-S59 PolarHBondContact O-N 2.87Å; E56-S59 WeakPolarHBondContact O-CA 3.5Å; E56-S59 WeakPolarHBondContact O-CB 3.45Å; E56-S59 PolarHBondContact O-N 3.48Å; E56-S59 PolarHBondContact O-OG 3.09Å; E57-S59 VanDerWaalsContact C-N 3.28Å; E57-S59 PolarHBondContact O-N 3.47Å; S59-L62 PolarHBondContact O-N 3.14Å; S59-I63 VanDerWaalsContact O-CG1 3.27Å; S59-I63 WeakPolarHBondContact O-CG1 3.37Å; S59-I63 PolarHBondContact O-N 3.22Å
60A92Very high92.6Very high45 Ų4588.5 Ų88.537%0.37244%0.444SS..Hα-helixtrans-64-43.2174.400000112E56 E57 L62 I63 M64E56-A60 PolarHBondContact O-N 3.46Å; E57-A60 PolarHBondContact O-N 2.81Å; A60-L62 PolarHBondContact O-N 3.42Å; A60-I63 PolarHBondContact O-N 3.46Å; A60-M64 WeakPolarHBondContact O-CB 3.46Å; A60-M64 PolarHBondContact O-N 3.05Å
61R90.4Very high92.5Very high114 Ų11486.2 Ų86.243%0.4343%0.428SS..Hα-helixtrans-58.7-45.5173.2-175.6-176.864.178.53.7111.9E57 I63 M64 E65E57-R61 PolarHBondContact O-N 3.2Å; R61-I63 VanDerWaalsContact C-N 3.34Å; R61-I63 PolarHBondContact O-N 3.31Å; R61-M64 WeakPolarHBondContact O-CB 3.26Å; R61-M64 PolarHBondContact O-N 2.91Å; R61-E65 IonicContact CZ-OE1 3.06Å; R61-E65 IonicContact NH1-OE1 3.38Å; R61-E65 PolarHBondContact NH1-OE1 2.67Å; R61-E65 IonicContact NH1-OE2 2.97Å; R61-E65 PolarHBondContact NH1-OE2 3.44Å; R61-E65 WeakPolarHBondContact O-CG 3.33Å; R61-E65 PolarHBondContact O-N 3.16Å
62L93.3Very high92.4Very high89 Ų8988 Ų8847%0.46643%0.426SS..Hα-helixtrans-62.3-42.6178.3-176.466.7000111.4N58 S59 A60 M64 E65 Q66N58-L62 WeakPolarHBondContact O-CB 3.43Å; N58-L62 PolarHBondContact O-N 3.06Å; S59-L62 PolarHBondContact O-N 3.14Å; A60-L62 PolarHBondContact O-N 3.42Å; L62-M64 VanDerWaalsContact C-N 3.32Å; L62-M64 PolarHBondContact O-N 3.31Å; L62-E65 PolarHBondContact O-N 3Å; L62-Q66 VanDerWaalsContact O-CG 3.29Å; L62-Q66 WeakPolarHBondContact O-CG 3.43Å; L62-Q66 PolarHBondContact O-N 2.82Å
63I93.7Very high92.2Very high86 Ų8688.7 Ų88.744%0.44142%0.424SS..Hα-helixtrans-61.1-42.8174.5-68.6164000110.6S59 A60 R61 Q66 K67S59-I63 VanDerWaalsContact O-CG1 3.27Å; S59-I63 WeakPolarHBondContact O-CG1 3.37Å; S59-I63 PolarHBondContact O-N 3.22Å; A60-I63 PolarHBondContact O-N 3.46Å; R61-I63 VanDerWaalsContact C-N 3.34Å; R61-I63 PolarHBondContact O-N 3.31Å; I63-Q66 PolarHBondContact O-N 3.2Å; I63-K67 HydrophobicContact CG2-CD 4.39Å; I63-K67 WeakPolarHBondContact O-CG 3.45Å; I63-K67 PolarHBondContact O-N 2.61Å
64M90.7Very high91.9Very high45 Ų4586.3 Ų86.322%0.22241%0.408CS..Hα-helixtrans-62.3-45.2178-172.764.9-17200112.2A60 R61 L62 Q66 K67 I68 S95 M99A60-M64 WeakPolarHBondContact O-CB 3.46Å; A60-M64 PolarHBondContact O-N 3.05Å; R61-M64 WeakPolarHBondContact O-CB 3.26Å; R61-M64 PolarHBondContact O-N 2.91Å; L62-M64 VanDerWaalsContact C-N 3.32Å; L62-M64 PolarHBondContact O-N 3.31Å; M64-Q66 PolarHBondContact O-N 2.92Å; M64-K67 PolarHBondContact O-N 2.67Å; M64-I68 HydrophobicContact CE-CD1 4.18Å; M64-I68 HydrophobicContact CE-CG1 4.3Å; M64-I68 HydrophobicContact CG-CD1 4.24Å; M64-I68 WeakPolarHBondContact O-CG1 3.24Å; M64-I68 PolarHBondContact O-N 2.63Å; M64-S95 VanDerWaalsContact CE-O 3.32Å; M64-S95 WeakPolarHBondContact CE-O 3.32Å; M64-M99 HydrophobicContact CE-CB 3.21Å; M64-M99 HydrophobicContact CE-CE 3.69Å; M64-M99 HydrophobicContact CE-CG 3.66Å; M64-M99 HydrophobicContact CE-SD 4.45Å; M64-M99 HydrophobicContact SD-CE 3.86Å
65E90.8Very high91.8Very high75 Ų7582.5 Ų82.535%0.3539%0.388SS..Hα-helixtrans-62.4-41176.4-74.7171.8-178.300112.1R61 L62 I68 E69R61-E65 IonicContact CZ-OE1 3.06Å; R61-E65 IonicContact NH1-OE1 3.38Å; R61-E65 PolarHBondContact NH1-OE1 2.67Å; R61-E65 IonicContact NH1-OE2 2.97Å; R61-E65 PolarHBondContact NH1-OE2 3.44Å; R61-E65 WeakPolarHBondContact O-CG 3.33Å; R61-E65 PolarHBondContact O-N 3.16Å; L62-E65 PolarHBondContact O-N 3Å; E65-I68 PolarHBondContact O-N 3.23Å; E65-E69 WeakPolarHBondContact O-CB 3.46Å; E65-E69 PolarHBondContact O-N 2.62Å
66Q94.2Very high91.5Very high116 Ų11677.5 Ų77.554%0.54238%0.375SS..Hα-helixtrans-61.8-43.2174.1-73173.25.500112L62 I63 M64 E69 L70L62-Q66 VanDerWaalsContact O-CG 3.29Å; L62-Q66 WeakPolarHBondContact O-CG 3.43Å; L62-Q66 PolarHBondContact O-N 2.82Å; I63-Q66 PolarHBondContact O-N 3.2Å; M64-Q66 PolarHBondContact O-N 2.92Å; Q66-E69 PolarHBondContact O-N 3.42Å; Q66-L70 WeakPolarHBondContact O-CB 3.35Å; Q66-L70 PolarHBondContact O-N 3.01Å
67K94.1Very high91.1Very high125 Ų12573.3 Ų73.354%0.54336%0.357SS..Hα-helixtrans-63.7-41.7176.1-70.9176.7177-177.40111.8I63 M64 E69 L70 R71 M99I63-K67 HydrophobicContact CG2-CD 4.39Å; I63-K67 WeakPolarHBondContact O-CG 3.45Å; I63-K67 PolarHBondContact O-N 2.61Å; M64-K67 PolarHBondContact O-N 2.67Å; K67-E69 VanDerWaalsContact C-N 3.33Å; K67-E69 PolarHBondContact O-N 3.3Å; K67-L70 PolarHBondContact O-N 3.39Å; K67-R71 WeakPolarHBondContact O-CB 3.44Å; K67-R71 PolarHBondContact O-N 3.36Å; K67-M99 HydrophobicContact CB-CE 3.24Å; K67-M99 HydrophobicContact CD-CE 4.24Å; K67-M99 HydrophobicContact CG-CE 4.38Å
68I91.2Very high90.6Very high10 Ų1067.9 Ų67.95%0.05133%0.332CS..Hα-helixtrans-60.3-45.7176.7-73.4167.5000110.2M64 E65 L70 R71 R72 S95 L98 M99 L102M64-I68 HydrophobicContact CE-CD1 4.18Å; M64-I68 HydrophobicContact CE-CG1 4.3Å; M64-I68 HydrophobicContact CG-CD1 4.24Å; M64-I68 WeakPolarHBondContact O-CG1 3.24Å; M64-I68 PolarHBondContact O-N 2.63Å; E65-I68 PolarHBondContact O-N 3.23Å; I68-L70 VanDerWaalsContact C-N 3.35Å; I68-R71 PolarHBondContact O-N 2.69Å; I68-R72 WeakPolarHBondContact O-CB 3.3Å; I68-R72 VanDerWaalsContact O-CG 3.31Å; I68-R72 WeakPolarHBondContact O-CG 3.34Å; I68-R72 PolarHBondContact O-N 3.15Å; I68-S95 VanDerWaalsContact CD1-O 3.29Å; I68-S95 WeakPolarHBondContact CD1-O 3.37Å; I68-L98 HydrophobicContact CD1-CD2 4.25Å; I68-L98 HydrophobicContact CG2-CD2 3.67Å; I68-L98 HydrophobicContact CG2-CG 4.07Å; I68-M99 HydrophobicContact CG1-CB 4.14Å; I68-M99 HydrophobicContact CG1-CE 3.8Å; I68-M99 HydrophobicContact CG1-SD 3.97Å; I68-L102 HydrophobicContact CB-CD1 4.44Å; I68-L102 HydrophobicContact CG2-CD1 3.76Å
69E91.9Very high90.3Very high90 Ų9064.5 Ų64.542%0.42131%0.313SS..Hα-helixtrans-67.6-36.4-179.8-175.954.9-151.800112.2E65 Q66 K67 R73E65-E69 WeakPolarHBondContact O-CB 3.46Å; E65-E69 PolarHBondContact O-N 2.62Å; Q66-E69 PolarHBondContact O-N 3.42Å; K67-E69 VanDerWaalsContact C-N 3.33Å; K67-E69 PolarHBondContact O-N 3.3Å; E69-R73 PolarHBondContact O-N 3Å; E69-R73 VanDerWaalsContact O-N 3.11Å; E69-R73 IonicContact OE1-NH2 3.18Å; E69-R73 PolarHBondContact OE1-NH2 3.23Å
70L91.9Very high89.7Confident81 Ų8169.1 Ų69.142%0.42433%0.329SS..Hα-helixtrans-62.9-48.1171.5-174.9142.9000111Q66 K67 I68 R72 R73 E74Q66-L70 WeakPolarHBondContact O-CB 3.35Å; Q66-L70 PolarHBondContact O-N 3.01Å; K67-L70 PolarHBondContact O-N 3.39Å; I68-L70 VanDerWaalsContact C-N 3.35Å; L70-R72 PolarHBondContact O-N 3.41Å; L70-R73 WeakPolarHBondContact O-CB 3.47Å; L70-R73 PolarHBondContact O-N 3.38Å; L70-R73 VanDerWaalsContact O-N 3.14Å; L70-E74 HydrophobicContact CD2-CG 4.25Å; L70-E74 WeakPolarHBondContact CD2-OE1 3.26Å; L70-E74 WeakPolarHBondContact O-CG 3.39Å; L70-E74 PolarHBondContact O-N 3.28Å
71R88.7Confident89Confident52 Ų5267.9 Ų67.920%0.19632%0.315CS..Hα-helixtrans-64.6-37.5179.2-155.458.7158.6158.14.5112.6K67 I68 R73 E74 I75 M99 L102 D103K67-R71 WeakPolarHBondContact O-CB 3.44Å; K67-R71 PolarHBondContact O-N 3.36Å; I68-R71 PolarHBondContact O-N 2.69Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R73 PolarHBondContact O-N 2.86Å; R71-E74 WeakPolarHBondContact CD-OE2 2.94Å; R71-E74 IonicContact CZ-OE2 2.76Å; R71-E74 IonicContact NE-OE2 2.82Å; R71-E74 IonicContact NH1-OE2 3.72Å; R71-E74 PolarHBondContact NH1-OE2 2.82Å; R71-E74 PolarHBondContact O-N 3.14Å; R71-I75 HydrophobicContact CG-CD1 4.32Å; R71-I75 WeakPolarHBondContact O-CB 3.45Å; R71-I75 WeakPolarHBondContact O-CD1 3.45Å; R71-I75 VanDerWaalsContact O-CG1 3.29Å; R71-I75 WeakPolarHBondContact O-CG1 3.48Å; R71-I75 PolarHBondContact O-N 2.86Å; R71-M99 HydrophobicContact CB-SD 4.42Å; R71-L102 HydrophobicContact CB-CB 4.38Å; R71-L102 HydrophobicContact CB-CD1 4.49Å; R71-L102 HydrophobicContact CG-CB 3.91Å; R71-D103 IonicContact CZ-OD1 2.65Å; R71-D103 IonicContact NE-OD1 3.22Å; R71-D103 PolarHBondContact NE-OD1 3.08Å; R71-D103 IonicContact NH2-OD1 3.76Å
72R90.3Very high88.4Confident103 Ų10362.8 Ų62.839%0.38930%0.297SS..Hα-helixtrans-59.3-43.6171.7-80.4175.8170.4-174.3-4112.1I68 L70 I75 A76 L102I68-R72 WeakPolarHBondContact O-CB 3.3Å; I68-R72 VanDerWaalsContact O-CG 3.31Å; I68-R72 WeakPolarHBondContact O-CG 3.34Å; I68-R72 PolarHBondContact O-N 3.15Å; L70-R72 PolarHBondContact O-N 3.41Å; R72-I75 PolarHBondContact O-N 2.96Å; R72-A76 WeakPolarHBondContact O-CB 3.36Å; R72-A76 PolarHBondContact O-N 3.02Å; R72-L102 HydrophobicContact CG-CD1 3.76Å; R72-L102 HydrophobicContact CG-CD2 3.76Å; R72-L102 HydrophobicContact CG-CG 4.46Å
73R89.4Confident87.6Confident124 Ų12461.8 Ų61.847%0.46831%0.308SS..Hα-helixtrans-65-45.5176.5-168177.5-57.2101.112.6111.2E69 L70 R71 I75 A76 D77E69-R73 PolarHBondContact O-N 3Å; E69-R73 VanDerWaalsContact O-N 3.11Å; E69-R73 IonicContact OE1-NH2 3.18Å; E69-R73 PolarHBondContact OE1-NH2 3.23Å; L70-R73 WeakPolarHBondContact O-CB 3.47Å; L70-R73 PolarHBondContact O-N 3.38Å; L70-R73 VanDerWaalsContact O-N 3.14Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R73 PolarHBondContact O-N 2.86Å; R73-I75 VanDerWaalsContact C-N 3.34Å; R73-I75 PolarHBondContact O-N 3.03Å; R73-A76 PolarHBondContact O-N 3.19Å; R73-D77 WeakPolarHBondContact O-CB 3.36Å; R73-D77 PolarHBondContact O-N 3.44Å
74E88.5Confident87Confident24 Ų2460.3 Ų60.311%0.11230%0.301CS..Hα-helixtrans-57.3-45.9175.6-69.9178.3166.500112.1L70 R71 D77 M78 F161L70-E74 HydrophobicContact CD2-CG 4.25Å; L70-E74 WeakPolarHBondContact CD2-OE1 3.26Å; L70-E74 WeakPolarHBondContact O-CG 3.39Å; L70-E74 PolarHBondContact O-N 3.28Å; R71-E74 WeakPolarHBondContact CD-OE2 2.94Å; R71-E74 IonicContact CZ-OE2 2.76Å; R71-E74 IonicContact NE-OE2 2.82Å; R71-E74 IonicContact NH1-OE2 3.72Å; R71-E74 PolarHBondContact NH1-OE2 2.82Å; R71-E74 PolarHBondContact O-N 3.14Å; E74-D77 PolarHBondContact O-N 3.44Å; E74-M78 WeakPolarHBondContact O-CB 3.38Å; E74-M78 WeakPolarHBondContact O-CG 3.33Å; E74-M78 PolarHBondContact O-N 3.4Å; E74-F161 HydrophobicContact CG-CD1 3.73Å; E74-F161 HydrophobicContact CG-CD2 4.43Å; E74-F161 HydrophobicContact CG-CE1 3.94Å; E74-F161 HydrophobicContact CG-CG 4Å; E74-F161 HydrophobicContact CG-CZ 4.37Å
75I89.6Confident86.8Confident4 Ų464.3 Ų64.32%0.02133%0.327CS..Hα-helixtrans-66.1-41.8177.4-70.2162.7000111.2R71 R72 R73 D77 M78 C79 F87 L102 K105 A106 L109R71-I75 HydrophobicContact CG-CD1 4.32Å; R71-I75 WeakPolarHBondContact O-CB 3.45Å; R71-I75 WeakPolarHBondContact O-CD1 3.45Å; R71-I75 VanDerWaalsContact O-CG1 3.29Å; R71-I75 WeakPolarHBondContact O-CG1 3.48Å; R71-I75 PolarHBondContact O-N 2.86Å; R72-I75 PolarHBondContact O-N 2.96Å; R73-I75 VanDerWaalsContact C-N 3.34Å; R73-I75 PolarHBondContact O-N 3.03Å; I75-D77 VanDerWaalsContact C-N 3.32Å; I75-D77 PolarHBondContact O-N 2.97Å; I75-M78 PolarHBondContact O-N 3.38Å; I75-C79 VanDerWaalsContact O-CB 3.3Å; I75-C79 WeakPolarHBondContact O-CB 3.27Å; I75-C79 PolarHBondContact O-N 3.49Å; I75-C79 PolarHBondContact O-SG 3.23Å; I75-C79 VanDerWaalsContact O-SG 3.39Å; I75-F87 HydrophobicContact CG2-CB 3.63Å; I75-F87 HydrophobicContact CG2-CD1 4.09Å; I75-F87 HydrophobicContact CG2-CG 4.27Å; I75-L102 HydrophobicContact CD1-CB 3.67Å; I75-L102 HydrophobicContact CD1-CD2 3.51Å; I75-L102 HydrophobicContact CD1-CG 4.18Å; I75-L102 WeakPolarHBondContact CD1-O 3.39Å; I75-K105 HydrophobicContact CD1-CB 4.45Å; I75-K105 HydrophobicContact CG2-CG 4.31Å; I75-A106 HydrophobicContact CD1-CB 4.34Å; I75-A106 HydrophobicContact CG1-CB 4.05Å; I75-L109 HydrophobicContact CB-CD1 4.44Å; I75-L109 HydrophobicContact CG2-CD1 3.81Å
76A87.3Confident86.4Confident45 Ų4565.4 Ų65.437%0.37234%0.341SS..Hα-helixtrans-60.9-43.8176.100000111.2R72 R73 C79 Q80R72-A76 WeakPolarHBondContact O-CB 3.36Å; R72-A76 PolarHBondContact O-N 3.02Å; R73-A76 PolarHBondContact O-N 3.19Å; A76-C79 PolarHBondContact O-N 3.01Å; A76-Q80 WeakPolarHBondContact O-CB 3.41Å; A76-Q80 PolarHBondContact O-N 3.39Å
77D85.8Confident86.1Confident48 Ų4863 Ų6326%0.25733%0.329SS..Hα-helixtrans-65.6-39.7177.2-67.5-18000111.4R73 E74 I75 Q80 Q81 F161R73-D77 WeakPolarHBondContact O-CB 3.36Å; R73-D77 PolarHBondContact O-N 3.44Å; E74-D77 PolarHBondContact O-N 3.44Å; I75-D77 VanDerWaalsContact C-N 3.32Å; I75-D77 PolarHBondContact O-N 2.97Å; D77-Q80 PolarHBondContact O-N 2.66Å; D77-Q81 WeakPolarHBondContact O-CB 3.49Å; D77-Q81 VanDerWaalsContact O-CG 3.24Å; D77-Q81 WeakPolarHBondContact O-CG 3.18Å; D77-Q81 PolarHBondContact O-N 3.3Å; D77-Q81 PolarHBondContact O-NE2 2.82Å; D77-F161 HydrophobicContact CB-CE2 4.16Å; D77-F161 HydrophobicContact CB-CZ 4.09Å; D77-F161 WeakPolarHBondContact OD2-CZ 3.36Å
78M82Confident85.9Confident19 Ų1964.3 Ų64.39%0.09434%0.341CS..Hα-helixtrans-69.2-42.3175.9-74.1-72-67.800112.4E74 I75 Q80 Q81 L82 L109 I110 K113E74-M78 WeakPolarHBondContact O-CB 3.38Å; E74-M78 WeakPolarHBondContact O-CG 3.33Å; E74-M78 PolarHBondContact O-N 3.4Å; I75-M78 PolarHBondContact O-N 3.38Å; M78-Q80 VanDerWaalsContact C-N 3.32Å; M78-Q80 PolarHBondContact O-N 3.44Å; M78-Q81 PolarHBondContact O-N 3.44Å; M78-L82 WeakPolarHBondContact O-CB 3.21Å; M78-L82 WeakPolarHBondContact O-CG 3.33Å; M78-L82 PolarHBondContact O-N 2.95Å; M78-L109 HydrophobicContact CB-CB 4.33Å; M78-L109 HydrophobicContact CB-CD1 4.01Å; M78-L109 HydrophobicContact CE-CB 4.2Å; M78-I110 HydrophobicContact CE-CG1 4.15Å; M78-K113 HydrophobicContact CE-CB 4.2Å; M78-K113 HydrophobicContact CE-CD 3.62Å; M78-K113 HydrophobicContact SD-CD 4.17Å
79C84.8Confident85.6Confident3 Ų364.8 Ų64.82%0.0235%0.345CS..Hα-helixtrans-59.6-44.4172.5-80.50000110.6I75 A76 L82 G83 L84I75-C79 VanDerWaalsContact O-CB 3.3Å; I75-C79 WeakPolarHBondContact O-CB 3.27Å; I75-C79 PolarHBondContact O-N 3.49Å; I75-C79 PolarHBondContact O-SG 3.23Å; I75-C79 VanDerWaalsContact O-SG 3.39Å; A76-C79 PolarHBondContact O-N 3.01Å; C79-L82 PolarHBondContact O-N 3.33Å; C79-G83 PolarHBondContact O-N 3.09Å; C79-L84 HydrophobicContact CB-CB 4.5Å; C79-L84 PolarHBondContact O-N 3.49Å
80Q83.7Confident85.4Confident153 Ų15368 Ų6872%0.71536%0.359SS*.Hα-helixtrans-62.7-45.8176.3-175.6179.50.900111.6A76 D77 M78 L82 G83A76-Q80 WeakPolarHBondContact O-CB 3.41Å; A76-Q80 PolarHBondContact O-N 3.39Å; D77-Q80 PolarHBondContact O-N 2.66Å; M78-Q80 VanDerWaalsContact C-N 3.32Å; M78-Q80 PolarHBondContact O-N 3.44Å; Q80-L82 VanDerWaalsContact C-N 3.32Å; Q80-L82 PolarHBondContact O-N 3.19Å; Q80-G83 PolarHBondContact O-N 3.09Å
81Q77.8Confident84.9Confident19 Ų1975.9 Ų75.99%0.08938%0.384CS..Hα-helixtrans-60.2-39.8176.3-77.8167.559.400112.5D77 M78 G83 L196D77-Q81 WeakPolarHBondContact O-CB 3.49Å; D77-Q81 VanDerWaalsContact O-CG 3.24Å; D77-Q81 WeakPolarHBondContact O-CG 3.18Å; D77-Q81 PolarHBondContact O-N 3.3Å; D77-Q81 PolarHBondContact O-NE2 2.82Å; M78-Q81 PolarHBondContact O-N 3.44Å; Q81-G83 VanDerWaalsContact C-N 3.29Å; Q81-G83 PolarHBondContact O-N 2.99Å; Q81-L196 HydrophobicContact CB-CD2 4.13Å
82L77.8Confident84.8Confident7 Ų777.4 Ų77.44%0.03742%0.415CS..THydrogen-bonded Turntrans-82-3.8179.5-75.2162.7000113.4M78 C79 Q80 L84 L109 Q112 K113 R116 L196M78-L82 WeakPolarHBondContact O-CB 3.21Å; M78-L82 WeakPolarHBondContact O-CG 3.33Å; M78-L82 PolarHBondContact O-N 2.95Å; C79-L82 PolarHBondContact O-N 3.33Å; Q80-L82 VanDerWaalsContact C-N 3.32Å; Q80-L82 PolarHBondContact O-N 3.19Å; L82-L84 HydrophobicContact CB-CD1 3.79Å; L82-L84 HydrophobicContact CB-CG 3.78Å; L82-L84 HydrophobicContact CD1-CD1 4.05Å; L82-L84 PolarHBondContact O-N 3.33Å; L82-L109 HydrophobicContact CD1-CB 4.12Å; L82-L109 HydrophobicContact CD1-CD2 3.69Å; L82-L109 HydrophobicContact CD1-CG 4.49Å; L82-Q112 HydrophobicContact CD2-CG 4.46Å; L82-K113 HydrophobicContact CD2-CB 4.35Å; L82-R116 VanDerWaalsContact CD2-NH1 3.31Å; L82-R116 PolarHBondContact O-NH1 3.28Å; L82-L196 HydrophobicContact CD2-CD2 3.46Å; L82-L196 VanDerWaalsContact CD2-CD2 3.46Å; L82-L196 HydrophobicContact CD2-CG 4.34Å; L82-L196 HydrophobicContact CG-CD2 3.69Å
83G76Confident84.7Confident68 Ų6875 Ų7570%0.70141%0.41SS*.THydrogen-bonded Turntrans64.227.9-173.700000113.5C79 Q80 Q81C79-G83 PolarHBondContact O-N 3.09Å; Q80-G83 PolarHBondContact O-N 3.09Å; Q81-G83 VanDerWaalsContact C-N 3.29Å; Q81-G83 PolarHBondContact O-N 2.99Å
84L81.4Confident84.8Confident55 Ų5572.7 Ų72.729%0.28841%0.41SS..PPolyproline II helixtrans-96.8156179.8-60.9175.5000111.2C79 L82 L109 Q112C79-L84 HydrophobicContact CB-CB 4.5Å; C79-L84 PolarHBondContact O-N 3.49Å; L82-L84 HydrophobicContact CB-CD1 3.79Å; L82-L84 HydrophobicContact CB-CG 3.78Å; L82-L84 HydrophobicContact CD1-CD1 4.05Å; L82-L84 PolarHBondContact O-N 3.33Å; L84-L109 HydrophobicContact CD1-CD2 3.68Å; L84-Q112 VanDerWaalsContact CD1-OE1 3.31Å
85V84.8Confident84.8Confident129 Ų12973.9 Ų73.978%0.78242%0.42SS*.PPolyproline II helixtrans-59.8135.4174.2179.90000109.4F87V85-F87 PolarHBondContact O-N 3.5Å
86P84.3Confident84.6Confident98 Ų9877.4 Ų77.464%0.63645%0.446SS*.PPolyproline II helixtrans-53129.7176.1-27.434.9000111.7L88P86-L88 PolarHBondContact O-N 3.09Å
87F87.9Confident84.9Confident65 Ų6579.2 Ų79.229%0.28545%0.446SS..PPolyproline II helixtrans-68.5126.4179.4177.3-119.9000111I75 V85 P89 L102 K105I75-F87 HydrophobicContact CG2-CB 3.63Å; I75-F87 HydrophobicContact CG2-CD1 4.09Å; I75-F87 HydrophobicContact CG2-CG 4.27Å; V85-F87 PolarHBondContact O-N 3.5Å; F87-P89 HydrophobicContact CD1-CG 4.01Å; F87-P89 HydrophobicContact CE1-CB 4.25Å; F87-P89 HydrophobicContact CE1-CG 3.65Å; F87-P89 HydrophobicContact CZ-CB 4.47Å; F87-P89 HydrophobicContact CZ-CG 4.3Å; F87-L102 HydrophobicContact CD1-CD2 4.09Å; F87-L102 HydrophobicContact CE1-CD2 4.01Å; F87-K105 HydrophobicContact CB-CG 4.18Å; F87-K105 HydrophobicContact CD1-CB 4.05Å; F87-K105 HydrophobicContact CD1-CG 3.8Å; F87-K105 HydrophobicContact CD2-CD 3.9Å; F87-K105 HydrophobicContact CD2-CG 3.85Å; F87-K105 HydrophobicContact CE1-CB 3.84Å; F87-K105 HydrophobicContact CE1-CG 4.05Å; F87-K105 HydrophobicContact CE2-CB 4.4Å; F87-K105 HydrophobicContact CE2-CD 4.08Å; F87-K105 HydrophobicContact CE2-CG 4.12Å; F87-K105 HydrophobicContact CG-CB 4.4Å; F87-K105 HydrophobicContact CG-CD 4.23Å; F87-K105 HydrophobicContact CG-CG 3.68Å; F87-K105 HydrophobicContact CZ-CB 4.04Å; F87-K105 HydrophobicContact CZ-CG 4.21Å
88L89.6Confident85.2Confident154 Ų15477.9 Ų77.981%0.80644%0.439SS*.  trans-116104.7175.5-176.263.1000109.4P86P86-L88 PolarHBondContact O-N 3.09Å
89P84.9Confident85.6Confident19 Ų1978 Ų7812%0.12344%0.44CS..PPolyproline II helixtrans-61.6157.2176.9-20.529.8000113F87 L93 L98 L102F87-P89 HydrophobicContact CD1-CG 4.01Å; F87-P89 HydrophobicContact CE1-CB 4.25Å; F87-P89 HydrophobicContact CE1-CG 3.65Å; F87-P89 HydrophobicContact CZ-CB 4.47Å; F87-P89 HydrophobicContact CZ-CG 4.3Å; P89-L93 HydrophobicContact CB-CD1 4.41Å; P89-L98 HydrophobicContact CB-CD1 3.56Å; P89-L98 HydrophobicContact CG-CD1 3.73Å; P89-L102 HydrophobicContact CG-CD2 3.85Å
90E87Confident85.9Confident157 Ų15784.7 Ų84.773%0.73447%0.465SS*.PPolyproline II helixtrans-59.8145174.5-67.9-172.9172.600112.2L93E90-L93 HydrophobicContact CB-CD1 4.17Å; E90-L93 HydrophobicContact CB-CG 4.28Å; E90-L93 WeakPolarHBondContact O-CD1 3.48Å; E90-L93 WeakPolarHBondContact O-CG 3.47Å
91R82.5Confident86.3Confident248 Ų24878.8 Ų78.894%0.93644%0.44SS*.THydrogen-bonded Turntrans-79.3139.8179.3-70.7-167.7-100.4-137.4-2.8110.4
92G85.8Confident87Confident83 Ų8378 Ų7886%0.85644%0.436SS*.THydrogen-bonded Turntrans91.75.3174.400000115.3
93L87.7Confident87.7Confident54 Ų5480.5 Ų80.528%0.28345%0.45SS..  trans-63.6142.4172.4-62.5171.5000111.1P89 E90 E97 L98P89-L93 HydrophobicContact CB-CD1 4.41Å; E90-L93 HydrophobicContact CB-CD1 4.17Å; E90-L93 HydrophobicContact CB-CG 4.28Å; E90-L93 WeakPolarHBondContact O-CD1 3.48Å; E90-L93 WeakPolarHBondContact O-CG 3.47Å; L93-E97 HydrophobicContact CB-CB 4.14Å; L93-E97 HydrophobicContact CD2-CB 4.11Å; L93-L98 HydrophobicContact CB-CB 4.08Å; L93-L98 HydrophobicContact CD1-CD1 4.37Å
94T91.1Very high88.4Confident75 Ų7583 Ų8346%0.4644%0.443SS..  trans-63.4158166.862.20000110.3S96 E97 L98T94-S96 PolarHBondContact O-N 3.15Å; T94-S96 VanDerWaalsContact O-N 3.14Å; T94-E97 WeakPolarHBondContact CB-OE2 3.27Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.47Å; T94-E97 PolarHBondContact N-OE2 2.82Å; T94-E97 PolarHBondContact O-N 2.74Å; T94-E97 VanDerWaalsContact O-N 3.11Å; T94-E97 WeakPolarHBondContact OG1-CB 3.33Å; T94-E97 WeakPolarHBondContact OG1-CG 3.45Å; T94-E97 PolarHBondContact OG1-N 2.98Å; T94-E97 PolarHBondContact OG1-OE2 3.29Å; T94-L98 WeakPolarHBondContact O-CB 3.38Å; T94-L98 PolarHBondContact O-N 2.82Å
95S88.2Confident88.8Confident48 Ų4882.3 Ų82.334%0.33644%0.438SS..Hα-helixtrans-54.9-35.8179.3-550000112.7M64 I68 M99M64-S95 VanDerWaalsContact CE-O 3.32Å; M64-S95 WeakPolarHBondContact CE-O 3.32Å; I68-S95 VanDerWaalsContact CD1-O 3.29Å; I68-S95 WeakPolarHBondContact CD1-O 3.37Å; S95-M99 WeakPolarHBondContact O-CB 3.27Å; S95-M99 PolarHBondContact O-N 3.25Å
96S87.3Confident89Confident79 Ų7976.4 Ų76.455%0.55240%0.403SS*.Hα-helixtrans-71.8-42.2177.1-56.20000113.2T94 M99 R100T94-S96 PolarHBondContact O-N 3.15Å; T94-S96 VanDerWaalsContact O-N 3.14Å; S96-M99 PolarHBondContact O-N 3.14Å; S96-R100 PolarHBondContact O-N 3.48Å
97E93Very high89.3Confident82 Ų8277 Ų7738%0.38340%0.398SS..Hα-helixtrans-67.8-40.8175.9-70.5161.2158.600111.6L93 T94 M99 R100 S101L93-E97 HydrophobicContact CB-CB 4.14Å; L93-E97 HydrophobicContact CD2-CB 4.11Å; T94-E97 WeakPolarHBondContact CB-OE2 3.27Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.47Å; T94-E97 PolarHBondContact N-OE2 2.82Å; T94-E97 PolarHBondContact O-N 2.74Å; T94-E97 VanDerWaalsContact O-N 3.11Å; T94-E97 WeakPolarHBondContact OG1-CB 3.33Å; T94-E97 WeakPolarHBondContact OG1-CG 3.45Å; T94-E97 PolarHBondContact OG1-N 2.98Å; T94-E97 PolarHBondContact OG1-OE2 3.29Å; E97-M99 VanDerWaalsContact C-N 3.31Å; E97-M99 PolarHBondContact O-N 3.45Å; E97-R100 PolarHBondContact O-N 2.89Å; E97-S101 WeakPolarHBondContact O-CB 3.33Å; E97-S101 PolarHBondContact O-N 2.69Å
98L91.6Very high89.3Confident21 Ų2178.4 Ų78.411%0.1141%0.405CS..Hα-helixtrans-59-45.2174.8175.559.1000110.7I68 P89 L93 T94 S101 L102I68-L98 HydrophobicContact CD1-CD2 4.25Å; I68-L98 HydrophobicContact CG2-CD2 3.67Å; I68-L98 HydrophobicContact CG2-CG 4.07Å; P89-L98 HydrophobicContact CB-CD1 3.56Å; P89-L98 HydrophobicContact CG-CD1 3.73Å; L93-L98 HydrophobicContact CB-CB 4.08Å; L93-L98 HydrophobicContact CD1-CD1 4.37Å; T94-L98 WeakPolarHBondContact O-CB 3.38Å; T94-L98 PolarHBondContact O-N 2.82Å; L98-S101 PolarHBondContact O-N 3.15Å; L98-L102 HydrophobicContact CD1-CD1 4.1Å; L98-L102 HydrophobicContact CD1-CG 4.24Å; L98-L102 HydrophobicContact CG-CD1 4.05Å; L98-L102 WeakPolarHBondContact O-CG 3.12Å; L98-L102 PolarHBondContact O-N 3.17Å
99M90.5Very high89.2Confident21 Ų2171 Ų7110%0.10337%0.366CS..Hα-helixtrans-61.6-47.6175.4-174.970.49700112.2M64 K67 I68 R71 S95 S96 E97 S101 L102 D103M64-M99 HydrophobicContact CE-CB 3.21Å; M64-M99 HydrophobicContact CE-CE 3.69Å; M64-M99 HydrophobicContact CE-CG 3.66Å; M64-M99 HydrophobicContact CE-SD 4.45Å; M64-M99 HydrophobicContact SD-CE 3.86Å; K67-M99 HydrophobicContact CB-CE 3.24Å; K67-M99 HydrophobicContact CD-CE 4.24Å; K67-M99 HydrophobicContact CG-CE 4.38Å; I68-M99 HydrophobicContact CG1-CB 4.14Å; I68-M99 HydrophobicContact CG1-CE 3.8Å; I68-M99 HydrophobicContact CG1-SD 3.97Å; R71-M99 HydrophobicContact CB-SD 4.42Å; S95-M99 WeakPolarHBondContact O-CB 3.27Å; S95-M99 PolarHBondContact O-N 3.25Å; S96-M99 PolarHBondContact O-N 3.14Å; E97-M99 VanDerWaalsContact C-N 3.31Å; E97-M99 PolarHBondContact O-N 3.45Å; M99-S101 VanDerWaalsContact C-N 3.29Å; M99-S101 PolarHBondContact O-N 3.08Å; M99-L102 CarbonylContact O-C 3.6Å; M99-L102 WeakPolarHBondContact O-CB 3.4Å; M99-L102 PolarHBondContact O-N 3.31Å; M99-L102 VanDerWaalsContact O-N 3.09Å; M99-D103 PolarHBondContact O-N 2.78Å
100R91.7Very high89.1Confident143 Ų14373.9 Ų73.954%0.5438%0.379SS..Hα-helixtrans-56.7-45.1178.4-172.4-171.1-58.51273.4111.4S96 E97 L102 D103 E104S96-R100 PolarHBondContact O-N 3.48Å; E97-R100 PolarHBondContact O-N 2.89Å; R100-L102 VanDerWaalsContact C-N 3.34Å; R100-L102 PolarHBondContact O-N 3.4Å; R100-D103 PolarHBondContact O-N 3.04Å; R100-E104 WeakPolarHBondContact CG-OE1 3.38Å; R100-E104 WeakPolarHBondContact O-CB 3.24Å; R100-E104 WeakPolarHBondContact O-CG 3.04Å; R100-E104 PolarHBondContact O-N 3.19Å
101S92.2Very high89.1Confident29 Ų2972.9 Ų72.920%0.20338%0.375CS..Hα-helixtrans-62.7-39.4177.2178.50000112.4E97 L98 M99 K105E97-S101 WeakPolarHBondContact O-CB 3.33Å; E97-S101 PolarHBondContact O-N 2.69Å; L98-S101 PolarHBondContact O-N 3.15Å; M99-S101 VanDerWaalsContact C-N 3.29Å; M99-S101 PolarHBondContact O-N 3.08Å; S101-K105 WeakPolarHBondContact O-CB 3.09Å; S101-K105 PolarHBondContact O-N 3.37Å
102L91.9Very high89.3Confident2 Ų264 Ų641%0.0134%0.344CS..Hα-helixtrans-66.1-42.6174.1-67.5166.9000111I68 R71 R72 I75 F87 P89 L98 M99 R100 K105 A106I68-L102 HydrophobicContact CB-CD1 4.44Å; I68-L102 HydrophobicContact CG2-CD1 3.76Å; R71-L102 HydrophobicContact CB-CB 4.38Å; R71-L102 HydrophobicContact CB-CD1 4.49Å; R71-L102 HydrophobicContact CG-CB 3.91Å; R72-L102 HydrophobicContact CG-CD1 3.76Å; R72-L102 HydrophobicContact CG-CD2 3.76Å; R72-L102 HydrophobicContact CG-CG 4.46Å; I75-L102 HydrophobicContact CD1-CB 3.67Å; I75-L102 HydrophobicContact CD1-CD2 3.51Å; I75-L102 HydrophobicContact CD1-CG 4.18Å; I75-L102 WeakPolarHBondContact CD1-O 3.39Å; F87-L102 HydrophobicContact CD1-CD2 4.09Å; F87-L102 HydrophobicContact CE1-CD2 4.01Å; P89-L102 HydrophobicContact CG-CD2 3.85Å; L98-L102 HydrophobicContact CD1-CD1 4.1Å; L98-L102 HydrophobicContact CD1-CG 4.24Å; L98-L102 HydrophobicContact CG-CD1 4.05Å; L98-L102 WeakPolarHBondContact O-CG 3.12Å; L98-L102 PolarHBondContact O-N 3.17Å; M99-L102 CarbonylContact O-C 3.6Å; M99-L102 WeakPolarHBondContact O-CB 3.4Å; M99-L102 PolarHBondContact O-N 3.31Å; M99-L102 VanDerWaalsContact O-N 3.09Å; R100-L102 VanDerWaalsContact C-N 3.34Å; R100-L102 PolarHBondContact O-N 3.4Å; L102-K105 PolarHBondContact O-N 3.21Å; L102-A106 VanDerWaalsContact O-CB 3.32Å; L102-A106 WeakPolarHBondContact O-CB 3.15Å; L102-A106 PolarHBondContact O-N 3.19Å
103D91.8Very high89.1Confident61 Ų6161.1 Ų61.133%0.32631%0.308SS..Hα-helixtrans-63.9-46.4177.6-73-32.4000112R71 M99 R100 K105 A106 E107R71-D103 IonicContact CZ-OD1 2.65Å; R71-D103 IonicContact NE-OD1 3.22Å; R71-D103 PolarHBondContact NE-OD1 3.08Å; R71-D103 IonicContact NH2-OD1 3.76Å; M99-D103 PolarHBondContact O-N 2.78Å; R100-D103 PolarHBondContact O-N 3.04Å; D103-K105 VanDerWaalsContact C-N 3.31Å; D103-K105 PolarHBondContact O-N 3.31Å; D103-A106 WeakPolarHBondContact O-CB 3.28Å; D103-A106 PolarHBondContact O-N 3Å; D103-A106 VanDerWaalsContact O-N 3.16Å; D103-E107 WeakPolarHBondContact O-CG 3.5Å; D103-E107 PolarHBondContact O-N 2.88Å
104E92.4Very high88.7Confident120 Ų12060.7 Ų60.756%0.56131%0.31SS*.Hα-helixtrans-57.2-44.2174.4-74.1169.2-171.400111.5R100 E107 E108R100-E104 WeakPolarHBondContact CG-OE1 3.38Å; R100-E104 WeakPolarHBondContact O-CB 3.24Å; R100-E104 WeakPolarHBondContact O-CG 3.04Å; R100-E104 PolarHBondContact O-N 3.19Å; E104-E107 PolarHBondContact O-N 3.09Å; E104-E108 PolarHBondContact O-N 3.08Å
105K89Confident88.5Confident40 Ų4059.5 Ų59.517%0.17431%0.307CS..Hα-helixtrans-68.3-37.6177.2-171.567.9-167.3169.50112.4I75 F87 S101 L102 D103 E107 E108 L109I75-K105 HydrophobicContact CD1-CB 4.45Å; I75-K105 HydrophobicContact CG2-CG 4.31Å; F87-K105 HydrophobicContact CB-CG 4.18Å; F87-K105 HydrophobicContact CD1-CB 4.05Å; F87-K105 HydrophobicContact CD1-CG 3.8Å; F87-K105 HydrophobicContact CD2-CD 3.9Å; F87-K105 HydrophobicContact CD2-CG 3.85Å; F87-K105 HydrophobicContact CE1-CB 3.84Å; F87-K105 HydrophobicContact CE1-CG 4.05Å; F87-K105 HydrophobicContact CE2-CB 4.4Å; F87-K105 HydrophobicContact CE2-CD 4.08Å; F87-K105 HydrophobicContact CE2-CG 4.12Å; F87-K105 HydrophobicContact CG-CB 4.4Å; F87-K105 HydrophobicContact CG-CD 4.23Å; F87-K105 HydrophobicContact CG-CG 3.68Å; F87-K105 HydrophobicContact CZ-CB 4.04Å; F87-K105 HydrophobicContact CZ-CG 4.21Å; S101-K105 WeakPolarHBondContact O-CB 3.09Å; S101-K105 PolarHBondContact O-N 3.37Å; L102-K105 PolarHBondContact O-N 3.21Å; D103-K105 VanDerWaalsContact C-N 3.31Å; D103-K105 PolarHBondContact O-N 3.31Å; K105-E107 VanDerWaalsContact C-N 3.34Å; K105-E108 WeakPolarHBondContact CD-OE2 3.1Å; K105-E108 IonicContact NZ-OE1 3.7Å; K105-E108 PolarHBondContact NZ-OE1 3.38Å; K105-E108 IonicContact NZ-OE2 3.77Å; K105-E108 PolarHBondContact NZ-OE2 3.2Å; K105-E108 PolarHBondContact O-N 3.16Å; K105-L109 HydrophobicContact CG-CD1 4.19Å; K105-L109 HydrophobicContact CG-CG 4.44Å; K105-L109 VanDerWaalsContact O-CG 3.25Å; K105-L109 WeakPolarHBondContact O-CG 3.3Å; K105-L109 PolarHBondContact O-N 3.37Å
106A88.9Confident88.3Confident6 Ų658.5 Ų58.55%0.0530%0.296CS..Hα-helixtrans-61.8-44.2176.300000110.8I75 L102 D103 L109 I110I75-A106 HydrophobicContact CD1-CB 4.34Å; I75-A106 HydrophobicContact CG1-CB 4.05Å; L102-A106 VanDerWaalsContact O-CB 3.32Å; L102-A106 WeakPolarHBondContact O-CB 3.15Å; L102-A106 PolarHBondContact O-N 3.19Å; D103-A106 WeakPolarHBondContact O-CB 3.28Å; D103-A106 PolarHBondContact O-N 3Å; D103-A106 VanDerWaalsContact O-N 3.16Å; A106-L109 PolarHBondContact O-N 2.98Å; A106-I110 WeakPolarHBondContact O-CB 3.37Å; A106-I110 WeakPolarHBondContact O-CD1 3.42Å; A106-I110 WeakPolarHBondContact O-CG1 3.47Å; A106-I110 PolarHBondContact O-N 3.45Å
107E89.5Confident87.8Confident111 Ų11155 Ų5552%0.51927%0.271SS..Hα-helixtrans-62.5-43.2175.3-67.8-54135.500112.2D103 E104 K105 L109 I110 Q111D103-E107 WeakPolarHBondContact O-CG 3.5Å; D103-E107 PolarHBondContact O-N 2.88Å; E104-E107 PolarHBondContact O-N 3.09Å; K105-E107 VanDerWaalsContact C-N 3.34Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 2.92Å; E107-I110 PolarHBondContact O-N 3.43Å; E107-Q111 WeakPolarHBondContact O-CB 3.26Å; E107-Q111 PolarHBondContact O-N 2.95Å
108E89.6Confident87.4Confident93 Ų9355.1 Ų55.144%0.43527%0.272SS..Hα-helixtrans-59.1-43.8175-169.9-162.3145.600111.7E104 K105 Q111 Q112E104-E108 PolarHBondContact O-N 3.08Å; K105-E108 WeakPolarHBondContact CD-OE2 3.1Å; K105-E108 IonicContact NZ-OE1 3.7Å; K105-E108 PolarHBondContact NZ-OE1 3.38Å; K105-E108 IonicContact NZ-OE2 3.77Å; K105-E108 PolarHBondContact NZ-OE2 3.2Å; K105-E108 PolarHBondContact O-N 3.16Å; E108-Q111 PolarHBondContact O-N 3.34Å; E108-Q112 WeakPolarHBondContact O-CB 3.2Å; E108-Q112 PolarHBondContact O-N 3.38Å
109L86Confident87.1Confident0 Ų058.6 Ų58.60%028%0.283CS..Hα-helixtrans-68.7-37.1178.7-68.2172.4000112.1I75 M78 L82 L84 K105 A106 E107 K113I75-L109 HydrophobicContact CB-CD1 4.44Å; I75-L109 HydrophobicContact CG2-CD1 3.81Å; M78-L109 HydrophobicContact CB-CB 4.33Å; M78-L109 HydrophobicContact CB-CD1 4.01Å; M78-L109 HydrophobicContact CE-CB 4.2Å; L82-L109 HydrophobicContact CD1-CB 4.12Å; L82-L109 HydrophobicContact CD1-CD2 3.69Å; L82-L109 HydrophobicContact CD1-CG 4.49Å; L84-L109 HydrophobicContact CD1-CD2 3.68Å; K105-L109 HydrophobicContact CG-CD1 4.19Å; K105-L109 HydrophobicContact CG-CG 4.44Å; K105-L109 VanDerWaalsContact O-CG 3.25Å; K105-L109 WeakPolarHBondContact O-CG 3.3Å; K105-L109 PolarHBondContact O-N 3.37Å; A106-L109 PolarHBondContact O-N 2.98Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 2.92Å; L109-K113 WeakPolarHBondContact O-CB 3.38Å; L109-K113 PolarHBondContact O-N 3.08Å
110I84.2Confident86.7Confident78 Ų7857.7 Ų57.740%0.428%0.279SS..Hα-helixtrans-63.6-45.2173.4-70.5163.4000109.9M78 A106 E107 K113 S114M78-I110 HydrophobicContact CE-CG1 4.15Å; A106-I110 WeakPolarHBondContact O-CB 3.37Å; A106-I110 WeakPolarHBondContact O-CD1 3.42Å; A106-I110 WeakPolarHBondContact O-CG1 3.47Å; A106-I110 PolarHBondContact O-N 3.45Å; E107-I110 PolarHBondContact O-N 3.43Å; I110-K113 WeakPolarHBondContact O-CB 3.15Å; I110-K113 PolarHBondContact O-N 2.94Å; I110-S114 PolarHBondContact O-N 3.11Å
111Q87.3Confident86.2Confident137 Ų13751.4 Ų51.464%0.6426%0.257SS*.Hα-helixtrans-63.5-46.5177.6-170177.422.900111.4E107 E108 K113 S114 A115E107-Q111 WeakPolarHBondContact O-CB 3.26Å; E107-Q111 PolarHBondContact O-N 2.95Å; E108-Q111 PolarHBondContact O-N 3.34Å; Q111-K113 VanDerWaalsContact C-N 3.29Å; Q111-K113 PolarHBondContact O-N 3.47Å; Q111-S114 WeakPolarHBondContact CA-OG 3.19Å; Q111-S114 PolarHBondContact O-N 3.31Å; Q111-S114 VanDerWaalsContact O-N 3.16Å; Q111-S114 PolarHBondContact O-OG 3.31Å; Q111-A115 WeakPolarHBondContact O-CB 3.38Å; Q111-A115 PolarHBondContact O-N 3.12Å
112Q85.5Confident85.9Confident60 Ų6054.3 Ų54.328%0.2826%0.264SS..Hα-helixtrans-61.9-38.1177.3-172.9172.610.100112.1L82 L84 E108 R116L82-Q112 HydrophobicContact CD2-CG 4.46Å; L84-Q112 VanDerWaalsContact CD1-OE1 3.31Å; E108-Q112 WeakPolarHBondContact O-CB 3.2Å; E108-Q112 PolarHBondContact O-N 3.38Å; Q112-R116 WeakPolarHBondContact O-CB 3.45Å; Q112-R116 WeakPolarHBondContact O-CG 3.44Å; Q112-R116 PolarHBondContact O-N 2.94Å
113K81.4Confident85.6Confident24 Ų2454.2 Ų54.210%0.10426%0.263CS..Hα-helixtrans-60.6-49.4172.5174.6170.6-176.5168.80111.3M78 L82 L109 I110 Q111 R116 C117 L196M78-K113 HydrophobicContact CE-CB 4.2Å; M78-K113 HydrophobicContact CE-CD 3.62Å; M78-K113 HydrophobicContact SD-CD 4.17Å; L82-K113 HydrophobicContact CD2-CB 4.35Å; L109-K113 WeakPolarHBondContact O-CB 3.38Å; L109-K113 PolarHBondContact O-N 3.08Å; I110-K113 WeakPolarHBondContact O-CB 3.15Å; I110-K113 PolarHBondContact O-N 2.94Å; Q111-K113 VanDerWaalsContact C-N 3.29Å; Q111-K113 PolarHBondContact O-N 3.47Å; K113-R116 PolarHBondContact O-N 3.38Å; K113-C117 WeakPolarHBondContact O-CB 3.35Å; K113-C117 PolarHBondContact O-N 3.31Å; K113-C117 PolarHBondContact O-SG 2.92Å; K113-C117 VanDerWaalsContact O-SG 3.34Å; K113-L196 HydrophobicContact CB-CD1 4.4Å; K113-L196 HydrophobicContact CD-CD1 4.45Å; K113-L196 HydrophobicContact CD-CD2 4.31Å; K113-L196 HydrophobicContact CG-CD1 3.65Å; K113-L196 HydrophobicContact CG-CD2 4.13Å
114S80.5Confident85.1Confident45 Ų4554.6 Ų54.632%0.31526%0.26SS..Hα-helixtrans-59.6-47.6177.367.10000111.9I110 Q111 R116 C117 E118I110-S114 PolarHBondContact O-N 3.11Å; Q111-S114 WeakPolarHBondContact CA-OG 3.19Å; Q111-S114 PolarHBondContact O-N 3.31Å; Q111-S114 VanDerWaalsContact O-N 3.16Å; Q111-S114 PolarHBondContact O-OG 3.31Å; S114-R116 PolarHBondContact O-N 3.34Å; S114-C117 WeakPolarHBondContact O-CB 3.49Å; S114-C117 PolarHBondContact O-N 2.87Å; S114-E118 VanDerWaalsContact O-CG 3.29Å; S114-E118 WeakPolarHBondContact O-CG 3.34Å; S114-E118 PolarHBondContact O-N 3.49Å
115A85.7Confident84.7Confident49 Ų4950.9 Ų50.941%0.40525%0.247SC..Hα-helixtrans-62.5-38.8179.700000113Q111 R119Q111-A115 WeakPolarHBondContact O-CB 3.38Å; Q111-A115 PolarHBondContact O-N 3.12Å; A115-R119 VanDerWaalsContact O-CB 3.24Å; A115-R119 WeakPolarHBondContact O-CB 3.35Å; A115-R119 PolarHBondContact O-N 3.37Å
116R83.4Confident84.6Confident27 Ų2751.4 Ų51.410%0.10225%0.25CC..Hα-helixtrans-66.1-42.8174.9-79.2-173.4-179.7169.35.7112L82 Q112 K113 S114 R119 Y120 I202L82-R116 VanDerWaalsContact CD2-NH1 3.31Å; L82-R116 PolarHBondContact O-NH1 3.28Å; Q112-R116 WeakPolarHBondContact O-CB 3.45Å; Q112-R116 WeakPolarHBondContact O-CG 3.44Å; Q112-R116 PolarHBondContact O-N 2.94Å; K113-R116 PolarHBondContact O-N 3.38Å; S114-R116 PolarHBondContact O-N 3.34Å; R116-R119 PolarHBondContact O-N 3.18Å; R116-Y120 WeakPolarHBondContact O-CB 3.2Å; R116-Y120 PolarHBondContact O-N 3.04Å; R116-I202 HydrophobicContact CB-CD1 3.92Å; R116-I202 HydrophobicContact CG-CD1 3.88Å
117C78.6Confident84.5Confident5 Ų551.1 Ų51.13%0.03425%0.247CC..Hα-helixtrans-60.5-49.7174.5-75.70000111.5K113 S114 R119 Y120 C121 I193 L196K113-C117 WeakPolarHBondContact O-CB 3.35Å; K113-C117 PolarHBondContact O-N 3.31Å; K113-C117 PolarHBondContact O-SG 2.92Å; K113-C117 VanDerWaalsContact O-SG 3.34Å; S114-C117 WeakPolarHBondContact O-CB 3.49Å; S114-C117 PolarHBondContact O-N 2.87Å; C117-R119 PolarHBondContact O-N 3.11Å; C117-Y120 PolarHBondContact O-N 3.37Å; C117-C121 WeakPolarHBondContact O-CB 3.44Å; C117-C121 PolarHBondContact O-N 3.4Å; C117-C121 PolarHBondContact O-SG 3.49Å; C117-I193 HydrophobicContact CB-CD1 3.47Å; C117-I193 VanDerWaalsContact CB-CD1 3.47Å; C117-L196 VanDerWaalsContact SG-CD1 3.59Å
118E84.2Confident84.3Confident86 Ų8647.9 Ų47.940%0.40223%0.233SC..Hα-helixtrans-58.8-46.9177.1-70.9174-174.200111.5S114 Y120 C121 W122 L185 I190S114-E118 VanDerWaalsContact O-CG 3.29Å; S114-E118 WeakPolarHBondContact O-CG 3.34Å; S114-E118 PolarHBondContact O-N 3.49Å; E118-Y120 VanDerWaalsContact C-N 3.33Å; E118-Y120 PolarHBondContact O-N 3.17Å; E118-C121 PolarHBondContact O-N 2.92Å; E118-W122 VanDerWaalsContact O-CB 3.31Å; E118-W122 WeakPolarHBondContact O-CB 3.29Å; E118-W122 PolarHBondContact O-N 3.02Å; E118-L185 HydrophobicContact CB-CD1 3.82Å; E118-L185 HydrophobicContact CG-CD1 3.71Å; E118-I190 HydrophobicContact CG-CD1 4.33Å
119R85.3Confident84.1Confident93 Ų9346.6 Ų46.635%0.35123%0.227SC..Hα-helixtrans-60.9-42.8178.8-179.858.6179.6157.33.1111.9A115 R116 C117 L123 I202A115-R119 VanDerWaalsContact O-CB 3.24Å; A115-R119 WeakPolarHBondContact O-CB 3.35Å; A115-R119 PolarHBondContact O-N 3.37Å; R116-R119 PolarHBondContact O-N 3.18Å; C117-R119 PolarHBondContact O-N 3.11Å; R119-L123 HydrophobicContact CG-CD1 4.15Å; R119-L123 WeakPolarHBondContact O-CB 3.42Å; R119-L123 WeakPolarHBondContact O-CG 3.28Å; R119-L123 PolarHBondContact O-N 3.47Å; R119-I202 HydrophobicContact CG-CG2 3.82Å
120Y81.6Confident84.1Confident3 Ų346.8 Ų46.81%0.01223%0.228CC..Hα-helixtrans-62.7-49.7175.4173.5-82.7000111.3R116 C117 E118 W122 L123 R124 L147 F151 F155 P197 L205R116-Y120 WeakPolarHBondContact O-CB 3.2Å; R116-Y120 PolarHBondContact O-N 3.04Å; C117-Y120 PolarHBondContact O-N 3.37Å; E118-Y120 VanDerWaalsContact C-N 3.33Å; E118-Y120 PolarHBondContact O-N 3.17Å; Y120-W122 VanDerWaalsContact C-N 3.31Å; Y120-W122 PolarHBondContact O-N 2.93Å; Y120-L123 PolarHBondContact O-N 3.23Å; Y120-R124 HydrophobicContact CE1-CB 4.4Å; Y120-R124 WeakPolarHBondContact O-CB 3.33Å; Y120-R124 PolarHBondContact O-N 3.09Å; Y120-L147 PolarHBondContact OH-O 2.91Å; Y120-F151 HydrophobicContact CD1-CD2 4.14Å; Y120-F151 HydrophobicContact CD1-CE2 4.29Å; Y120-F151 AromaticContact CE1-CD2 3.29Å; Y120-F151 HydrophobicContact CE1-CD2 3.29Å; Y120-F151 AromaticContact CE1-CE2 3.82Å; Y120-F151 HydrophobicContact CE1-CE2 3.82Å; Y120-F151 HydrophobicContact CE1-CG 4.26Å; Y120-F151 AromaticContact CZ-CD2 3.88Å; Y120-F151 WeakPolarHBondContact OH-CB 3.27Å; Y120-F155 HydrophobicContact CD2-CE2 4.45Å; Y120-F155 HydrophobicContact CD2-CZ 4.23Å; Y120-F155 AromaticContact CE2-CE2 3.75Å; Y120-F155 HydrophobicContact CE2-CE2 3.75Å; Y120-F155 AromaticContact CE2-CZ 3.65Å; Y120-F155 HydrophobicContact CE2-CZ 3.65Å; Y120-F155 AromaticContact CZ-CE2 3.93Å; Y120-P197 HydrophobicContact CD1-CG 4.12Å; Y120-P197 HydrophobicContact CD2-CB 3.76Å; Y120-P197 HydrophobicContact CD2-CG 3.68Å; Y120-P197 HydrophobicContact CE2-CG 4.37Å; Y120-P197 HydrophobicContact CG-CB 4.04Å; Y120-P197 HydrophobicContact CG-CG 3.54Å; Y120-L205 HydrophobicContact CD2-CD1 3.4Å; Y120-L205 VanDerWaalsContact CD2-CD1 3.4Å; Y120-L205 HydrophobicContact CE2-CD1 3.34Å; Y120-L205 HydrophobicContact CG-CD1 4.4Å
121C80.7Confident84.1Confident11 Ų1143.1 Ų43.17%0.07421%0.209CC..Hα-helixtrans-60-42.8179.8-71.70000111.5C117 E118 S125 L185C117-C121 WeakPolarHBondContact O-CB 3.44Å; C117-C121 PolarHBondContact O-N 3.4Å; C117-C121 PolarHBondContact O-SG 3.49Å; E118-C121 PolarHBondContact O-N 2.92Å; C121-S125 WeakPolarHBondContact O-CB 3.08Å; C121-S125 PolarHBondContact O-N 3.41Å; C121-L185 HydrophobicContact CB-CD2 3.7Å
122W87Confident84Confident90 Ų9041.7 Ų41.734%0.34121%0.206SC..Hα-helixtrans-60.9-50.9175-176.392.6000111.6E118 Y120 R124 S125 K126 Y209E118-W122 VanDerWaalsContact O-CB 3.31Å; E118-W122 WeakPolarHBondContact O-CB 3.29Å; E118-W122 PolarHBondContact O-N 3.02Å; Y120-W122 VanDerWaalsContact C-N 3.31Å; Y120-W122 PolarHBondContact O-N 2.93Å; W122-R124 VanDerWaalsContact C-N 3.34Å; W122-R124 PolarHBondContact O-N 3.2Å; W122-S125 PolarHBondContact O-N 2.82Å; W122-K126 HydrophobicContact CD2-CG 3.92Å; W122-K126 HydrophobicContact CE3-CG 4.14Å; W122-K126 HydrophobicContact CH2-CG 4.03Å; W122-K126 HydrophobicContact CZ2-CD 4.48Å; W122-K126 HydrophobicContact CZ2-CG 3.79Å; W122-K126 HydrophobicContact CZ3-CG 4.18Å; W122-K126 WeakPolarHBondContact O-CG 3.23Å; W122-K126 PolarHBondContact O-N 3.18Å; W122-Y209 HydrophobicContact CH2-CE1 4.07Å; W122-Y209 HydrophobicContact CH2-CE2 4.47Å; W122-Y209 AromaticContact CH2-CZ 3.92Å; W122-Y209 HydrophobicContact CZ3-CD1 4.48Å; W122-Y209 HydrophobicContact CZ3-CE1 4.22Å
123L85.8Confident84Confident0 Ų039.3 Ų39.30%020%0.195CC..Hα-helixtrans-59.8-45.6-180-82.6168.3000111.4R119 Y120 K126 I127 I202 L205 T206 Y209R119-L123 HydrophobicContact CG-CD1 4.15Å; R119-L123 WeakPolarHBondContact O-CB 3.42Å; R119-L123 WeakPolarHBondContact O-CG 3.28Å; R119-L123 PolarHBondContact O-N 3.47Å; Y120-L123 PolarHBondContact O-N 3.23Å; L123-K126 PolarHBondContact O-N 2.53Å; L123-I127 WeakPolarHBondContact O-CB 3.32Å; L123-I127 WeakPolarHBondContact O-CD1 3.4Å; L123-I127 WeakPolarHBondContact O-CG1 3.24Å; L123-I127 PolarHBondContact O-N 3.38Å; L123-I202 HydrophobicContact CD1-CG2 3.94Å; L123-L205 HydrophobicContact CB-CB 4.28Å; L123-L205 HydrophobicContact CD1-CB 4.06Å; L123-T206 WeakPolarHBondContact CD1-OG1 3.43Å; L123-Y209 HydrophobicContact CD2-CD1 4.21Å; L123-Y209 HydrophobicContact CD2-CG 4.05Å
124R81.2Confident84.1Confident68 Ų6838.8 Ų38.826%0.25719%0.193SC..Hα-helixtrans-59.8-49.1177-179.5176.7173.6-78-2.2111.2Y120 W122 K126 I127 L128 L147 D148Y120-R124 HydrophobicContact CE1-CB 4.4Å; Y120-R124 WeakPolarHBondContact O-CB 3.33Å; Y120-R124 PolarHBondContact O-N 3.09Å; W122-R124 VanDerWaalsContact C-N 3.34Å; W122-R124 PolarHBondContact O-N 3.2Å; R124-K126 PolarHBondContact O-N 2.81Å; R124-I127 PolarHBondContact O-N 2.76Å; R124-L128 HydrophobicContact CG-CD1 4.07Å; R124-L128 WeakPolarHBondContact O-CG 3.31Å; R124-L128 PolarHBondContact O-N 3.32Å; R124-L147 HydrophobicContact CG-CD2 4.33Å; R124-D148 IonicContact CZ-OD1 3.48Å; R124-D148 IonicContact NE-OD1 3.29Å; R124-D148 IonicContact NH2-OD1 2.75Å; R124-D148 PolarHBondContact NH2-OD1 3.06Å
125S83.6Confident84Confident43 Ų4338.4 Ų38.430%0.30120%0.197SC..Hα-helixtrans-57.5-48.9178-172.90000111C121 W122 I127 L128 H129C121-S125 WeakPolarHBondContact O-CB 3.08Å; C121-S125 PolarHBondContact O-N 3.41Å; W122-S125 PolarHBondContact O-N 2.82Å; S125-I127 PolarHBondContact O-N 3.03Å; S125-L128 PolarHBondContact O-N 3.03Å; S125-H129 WeakPolarHBondContact O-CB 3.39Å; S125-H129 PolarHBondContact O-N 3.07Å
126K87.2Confident83.4Confident51 Ų5137 Ų3722%0.22219%0.186CC..Hα-helixtrans-67-35.3-179.8-64.6-57174.2-155.90113.7W122 L123 R124 H129 L130 E183 Y209W122-K126 HydrophobicContact CD2-CG 3.92Å; W122-K126 HydrophobicContact CE3-CG 4.14Å; W122-K126 HydrophobicContact CH2-CG 4.03Å; W122-K126 HydrophobicContact CZ2-CD 4.48Å; W122-K126 HydrophobicContact CZ2-CG 3.79Å; W122-K126 HydrophobicContact CZ3-CG 4.18Å; W122-K126 WeakPolarHBondContact O-CG 3.23Å; W122-K126 PolarHBondContact O-N 3.18Å; L123-K126 PolarHBondContact O-N 2.53Å; R124-K126 PolarHBondContact O-N 2.81Å; K126-H129 PolarHBondContact O-N 3.44Å; K126-L130 WeakPolarHBondContact O-CB 3.42Å; K126-L130 WeakPolarHBondContact O-CG 3.3Å; K126-L130 PolarHBondContact O-N 2.85Å; K126-E183 IonicContact NZ-OE2 3.29Å; K126-E183 PolarHBondContact NZ-OE2 2.8Å; K126-Y209 HydrophobicContact CB-CD2 3.98Å; K126-Y209 HydrophobicContact CB-CE2 3.77Å
127I86.7Confident82.7Confident0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-65-47.5174.7-73.2164.7000110.8L123 R124 S125 H129 L130 D131 L139 L147 L205 I208 Y209 L212L123-I127 WeakPolarHBondContact O-CB 3.32Å; L123-I127 WeakPolarHBondContact O-CD1 3.4Å; L123-I127 WeakPolarHBondContact O-CG1 3.24Å; L123-I127 PolarHBondContact O-N 3.38Å; R124-I127 PolarHBondContact O-N 2.76Å; S125-I127 PolarHBondContact O-N 3.03Å; I127-H129 VanDerWaalsContact C-N 3.29Å; I127-H129 PolarHBondContact O-N 3.31Å; I127-L130 PolarHBondContact O-N 2.91Å; I127-D131 WeakPolarHBondContact O-CB 3.47Å; I127-D131 PolarHBondContact O-N 3.25Å; I127-L139 HydrophobicContact CG2-CD1 3.76Å; I127-L139 HydrophobicContact CG2-CD2 4.38Å; I127-L147 HydrophobicContact CB-CD2 4.38Å; I127-L147 HydrophobicContact CG2-CD2 3.79Å; I127-L205 HydrophobicContact CD1-CB 4.15Å; I127-L205 HydrophobicContact CD1-CD2 3.78Å; I127-L205 WeakPolarHBondContact CD1-O 3.41Å; I127-I208 HydrophobicContact CD1-CB 4.36Å; I127-I208 HydrophobicContact CD1-CG2 4.19Å; I127-I208 HydrophobicContact CG1-CG2 4.45Å; I127-I208 HydrophobicContact CG2-CG2 4.26Å; I127-Y209 HydrophobicContact CG1-CD2 4.4Å; I127-L212 HydrophobicContact CG2-CD1 3.85Å
128L83.5Confident82.1Confident43 Ų4346.5 Ų46.523%0.22524%0.236CC..Hα-helixtrans-63.9-37.8177.5-69.1173.4000111.5R124 S125 D131 N132R124-L128 HydrophobicContact CG-CD1 4.07Å; R124-L128 WeakPolarHBondContact O-CG 3.31Å; R124-L128 PolarHBondContact O-N 3.32Å; S125-L128 PolarHBondContact O-N 3.03Å; L128-D131 WeakPolarHBondContact O-CB 3.3Å; L128-D131 PolarHBondContact O-N 2.9Å; L128-N132 VanDerWaalsContact O-CG 3.26Å; L128-N132 PolarHBondContact O-N 3.5Å; L128-N132 PolarHBondContact O-ND2 3.45Å; L128-N132 VanDerWaalsContact O-ND2 3.12Å
129H86.4Confident81.3Confident66 Ų6642.9 Ų42.931%0.30622%0.22SC..Hα-helixtrans-62.3-51.4174-175.859.2000112.2S125 K126 I127 D131 N132 L133 E306S125-H129 WeakPolarHBondContact O-CB 3.39Å; S125-H129 PolarHBondContact O-N 3.07Å; K126-H129 PolarHBondContact O-N 3.44Å; I127-H129 VanDerWaalsContact C-N 3.29Å; I127-H129 PolarHBondContact O-N 3.31Å; H129-D131 VanDerWaalsContact C-N 3.27Å; H129-D131 PolarHBondContact O-N 2.81Å; H129-N132 WeakPolarHBondContact O-CB 3.29Å; H129-N132 PolarHBondContact O-N 2.91Å; H129-N132 VanDerWaalsContact O-N 3.15Å; H129-L133 WeakPolarHBondContact NE2-CD1 3.38Å; H129-L133 WeakPolarHBondContact O-CG 3.36Å; H129-L133 PolarHBondContact O-N 2.9Å; H129-E306 IonicContact CD2-OE2 2.83Å; H129-E306 IonicContact CE1-OE2 3.5Å; H129-E306 IonicContact NE2-OE1 3.66Å; H129-E306 IonicContact NE2-OE2 3.59Å; H129-E306 PolarHBondContact NE2-OE2 3.42Å
130L85.1Confident80.4Confident3 Ų341.3 Ų41.32%0.01622%0.223CC..Hα-helixtrans-60-36.6176.7-75176.4000112.6K126 I127 L133 L134 Y209 L212 Q213 Y216K126-L130 WeakPolarHBondContact O-CB 3.42Å; K126-L130 WeakPolarHBondContact O-CG 3.3Å; K126-L130 PolarHBondContact O-N 2.85Å; I127-L130 PolarHBondContact O-N 2.91Å; L130-L133 HydrophobicContact CD2-CD1 4.36Å; L130-L133 PolarHBondContact O-N 3.41Å; L130-L134 WeakPolarHBondContact O-CB 3.43Å; L130-L134 WeakPolarHBondContact O-CD1 3.46Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.34Å; L130-L134 PolarHBondContact O-N 3.18Å; L130-Y209 HydrophobicContact CD1-CD2 3.7Å; L130-Y209 HydrophobicContact CD1-CE2 3.6Å; L130-L212 HydrophobicContact CB-CB 4.27Å; L130-L212 HydrophobicContact CD1-CB 3.97Å; L130-Q213 HydrophobicContact CD1-CB 4.09Å; L130-Y216 HydrophobicContact CD2-CD1 3.76Å; L130-Y216 HydrophobicContact CD2-CE1 4.45Å; L130-Y216 HydrophobicContact CD2-CG 3.84Å
131D84.6Confident79.3Confident2 Ų247.4 Ų47.41%0.01126%0.256CS..Hα-helixtrans-60.9-48.8174-169.859.3000111.9I127 L128 H129 L133 L134 G135 G136 L139 K144I127-D131 WeakPolarHBondContact O-CB 3.47Å; I127-D131 PolarHBondContact O-N 3.25Å; L128-D131 WeakPolarHBondContact O-CB 3.3Å; L128-D131 PolarHBondContact O-N 2.9Å; H129-D131 VanDerWaalsContact C-N 3.27Å; H129-D131 PolarHBondContact O-N 2.81Å; D131-L133 VanDerWaalsContact C-N 3.29Å; D131-L133 PolarHBondContact O-N 3.3Å; D131-L134 CarbonylContact O-C 3.59Å; D131-L134 PolarHBondContact O-N 2.96Å; D131-L134 VanDerWaalsContact O-N 3.13Å; D131-G135 PolarHBondContact O-N 3.37Å; D131-G135 VanDerWaalsContact O-N 3.16Å; D131-G136 WeakPolarHBondContact O-CA 3.43Å; D131-G136 PolarHBondContact O-N 2.92Å; D131-G136 WeakPolarHBondContact OD2-CA 3.19Å; D131-L139 HydrophobicContact CB-CD1 3.44Å; D131-L139 VanDerWaalsContact CB-CD1 3.44Å; D131-L139 VanDerWaalsContact CG-CD1 3.47Å; D131-L139 WeakPolarHBondContact OD1-CB 3.3Å; D131-L139 WeakPolarHBondContact OD1-CD1 3.47Å; D131-L139 PolarHBondContact OD1-N 3.42Å; D131-K144 WeakPolarHBondContact OD2-CE 3.34Å; D131-K144 IonicContact OD2-NZ 3.91Å; D131-K144 PolarHBondContact OD2-NZ 2.89Å
132N84.8Confident78Confident106 Ų10653.4 Ų53.457%0.56729%0.286SS*.Hα-helixtrans-59.9-42176.6-70.7-33.8000111.1L128 H129 L134 G135L128-N132 VanDerWaalsContact O-CG 3.26Å; L128-N132 PolarHBondContact O-N 3.5Å; L128-N132 PolarHBondContact O-ND2 3.45Å; L128-N132 VanDerWaalsContact O-ND2 3.12Å; H129-N132 WeakPolarHBondContact O-CB 3.29Å; H129-N132 PolarHBondContact O-N 2.91Å; H129-N132 VanDerWaalsContact O-N 3.15Å; N132-L134 VanDerWaalsContact C-N 3.32Å; N132-L134 PolarHBondContact O-N 3.4Å; N132-G135 PolarHBondContact O-N 3Å; N132-G135 VanDerWaalsContact O-N 3.14Å
133L86.9Confident77Confident10 Ų1051.4 Ų51.45%0.05228%0.283CS..Hα-helixtrans-65.6-32.9176.6-68.2173000112.9H129 L130 D131 G135 Y216 E306 V308 V309H129-L133 WeakPolarHBondContact NE2-CD1 3.38Å; H129-L133 WeakPolarHBondContact O-CG 3.36Å; H129-L133 PolarHBondContact O-N 2.9Å; L130-L133 HydrophobicContact CD2-CD1 4.36Å; L130-L133 PolarHBondContact O-N 3.41Å; D131-L133 VanDerWaalsContact C-N 3.29Å; D131-L133 PolarHBondContact O-N 3.3Å; L133-G135 PolarHBondContact O-N 3.49Å; L133-Y216 HydrophobicContact CB-CD2 4.05Å; L133-Y216 HydrophobicContact CB-CE2 3.63Å; L133-Y216 HydrophobicContact CD1-CE1 4.29Å; L133-Y216 HydrophobicContact CD1-CE2 4.02Å; L133-Y216 HydrophobicContact CG-CE2 4.36Å; L133-E306 HydrophobicContact CD1-CG 3.58Å; L133-E306 VanDerWaalsContact CD1-OE1 3.29Å; L133-E306 WeakPolarHBondContact CD1-OE1 3.4Å; L133-E306 HydrophobicContact CD2-CG 4.2Å; L133-V308 HydrophobicContact CD2-CG2 4.2Å; L133-V308 CarbonylContact O-C 3.58Å; L133-V308 WeakPolarHBondContact O-CA 3.34Å; L133-V309 CarbonylContact O-C 3.59Å; L133-V309 PolarHBondContact O-N 2.84Å
134L84.2Confident76.1Confident13 Ų1353.6 Ų53.67%0.06829%0.293CS..THydrogen-bonded Turntrans-81.3-1175.7-72.1161.8000113.3L130 D131 N132 Q138 L212 I215 Y216 L219L130-L134 WeakPolarHBondContact O-CB 3.43Å; L130-L134 WeakPolarHBondContact O-CD1 3.46Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.34Å; L130-L134 PolarHBondContact O-N 3.18Å; D131-L134 CarbonylContact O-C 3.59Å; D131-L134 PolarHBondContact O-N 2.96Å; D131-L134 VanDerWaalsContact O-N 3.13Å; N132-L134 VanDerWaalsContact C-N 3.32Å; N132-L134 PolarHBondContact O-N 3.4Å; L134-Q138 HydrophobicContact CB-CG 3.64Å; L134-Q138 HydrophobicContact CD1-CB 4.39Å; L134-Q138 HydrophobicContact CD1-CG 3.87Å; L134-Q138 HydrophobicContact CG-CG 4.23Å; L134-L212 HydrophobicContact CD1-CD2 4.07Å; L134-I215 HydrophobicContact CD2-CG2 4.07Å; L134-Y216 HydrophobicContact CD2-CD2 4.13Å; L134-Y216 HydrophobicContact CG-CD2 4.17Å; L134-L219 HydrophobicContact CD2-CD2 4.16Å
135G77.5Confident75.2Confident38 Ų3855.9 Ų55.939%0.39231%0.306SS..THydrogen-bonded Turntrans94.38.9178.600000115.2D131 N132 L133 D137D131-G135 PolarHBondContact O-N 3.37Å; D131-G135 VanDerWaalsContact O-N 3.16Å; N132-G135 PolarHBondContact O-N 3Å; N132-G135 VanDerWaalsContact O-N 3.14Å; L133-G135 PolarHBondContact O-N 3.49Å; G135-D137 VanDerWaalsContact C-N 3.34Å; G135-D137 PolarHBondContact O-N 2.86Å
136G72.9Confident74.2Confident18 Ų1859.5 Ų59.519%0.18632%0.317CS..SBendtrans84.4-3.1172.700000116.2D131 K144D131-G136 WeakPolarHBondContact O-CA 3.43Å; D131-G136 PolarHBondContact O-N 2.92Å; D131-G136 WeakPolarHBondContact OD2-CA 3.19Å; G136-K144 PolarHBondContact O-NZ 3.48Å
137D67.7Low73.1Confident141 Ų14157.5 Ų57.575%0.75431%0.308SS*.  trans-88.4-14.2-174.3-74.7-17000113.9G135G135-D137 VanDerWaalsContact C-N 3.34Å; G135-D137 PolarHBondContact O-N 2.86Å
138Q67.8Low71.8Confident91 Ų9160.7 Ų60.743%0.42533%0.325SS..SBendtrans-81-34.2-168.8-61.3-65.498.700112L134 L212L134-Q138 HydrophobicContact CB-CG 3.64Å; L134-Q138 HydrophobicContact CD1-CB 4.39Å; L134-Q138 HydrophobicContact CD1-CG 3.87Å; L134-Q138 HydrophobicContact CG-CG 4.23Å; Q138-L212 HydrophobicContact CB-CD2 3.77Å
139L65.8Low70.5Confident11 Ų1161.8 Ų61.86%0.05833%0.331CS..SBendtrans-90.9121.6168.4-79.5134.2000110.3I127 D131 T143 K144 L212I127-L139 HydrophobicContact CG2-CD1 3.76Å; I127-L139 HydrophobicContact CG2-CD2 4.38Å; D131-L139 HydrophobicContact CB-CD1 3.44Å; D131-L139 VanDerWaalsContact CB-CD1 3.44Å; D131-L139 VanDerWaalsContact CG-CD1 3.47Å; D131-L139 WeakPolarHBondContact OD1-CB 3.3Å; D131-L139 WeakPolarHBondContact OD1-CD1 3.47Å; D131-L139 PolarHBondContact OD1-N 3.42Å; L139-T143 HydrophobicContact CD2-CG2 3.51Å; L139-K144 HydrophobicContact CB-CD 4.33Å; L139-K144 HydrophobicContact CB-CG 3.67Å; L139-K144 WeakPolarHBondContact O-CE 3.4Å; L139-L212 HydrophobicContact CD1-CD1 3.78Å; L139-L212 HydrophobicContact CG-CD1 4.41Å
140S66.3Low69.1Low60 Ų6060.4 Ų60.442%0.4233%0.325SS..  trans-59.7146.9167.877.40000110.3I142 T143 K144S140-I142 PolarHBondContact O-N 2.9Å; S140-I142 VanDerWaalsContact O-N 3.1Å; S140-T143 CarbonylContact O-C 3.51Å; S140-T143 WeakPolarHBondContact O-CA 3.41Å; S140-T143 WeakPolarHBondContact O-CB 3.48Å; S140-T143 PolarHBondContact O-N 3.2Å; S140-T143 PolarHBondContact OG-N 3.03Å; S140-T143 VanDerWaalsContact OG-N 3.13Å; S140-T143 PolarHBondContact OG-OG1 3.05Å; S140-K144 PolarHBondContact O-N 2.9Å
141D60.4Low67.7Low131 Ų13161.4 Ų61.470%0.70133%0.33SS*.Hα-helixtrans-52.6-34.9175.3-69.7-30.4000111.8T143 K144 H145D141-T143 VanDerWaalsContact C-N 3.34Å; D141-T143 PolarHBondContact O-N 3.23Å; D141-K144 PolarHBondContact O-N 3.5Å; D141-H145 WeakPolarHBondContact O-CB 3.42Å; D141-H145 PolarHBondContact O-N 2.94Å
142I52.9Low66.2Low136 Ų13666.7 Ų66.770%0.69735%0.354SS*.Hα-helixtrans-63.3-41.3175.2-60.8173.8000110.6S140 K146S140-I142 PolarHBondContact O-N 2.9Å; S140-I142 VanDerWaalsContact O-N 3.1Å; I142-K146 WeakPolarHBondContact O-CB 3.39Å; I142-K146 PolarHBondContact O-N 3.31Å
143T66.3Low64.6Low48 Ų4866.3 Ų66.329%0.29436%0.356SS..Hα-helixtrans-72.7-40.1177.9-48.60000111.9L139 S140 D141 K146 L147L139-T143 HydrophobicContact CD2-CG2 3.51Å; S140-T143 CarbonylContact O-C 3.51Å; S140-T143 WeakPolarHBondContact O-CA 3.41Å; S140-T143 WeakPolarHBondContact O-CB 3.48Å; S140-T143 PolarHBondContact O-N 3.2Å; S140-T143 PolarHBondContact OG-N 3.03Å; S140-T143 VanDerWaalsContact OG-N 3.13Å; S140-T143 PolarHBondContact OG-OG1 3.05Å; D141-T143 VanDerWaalsContact C-N 3.34Å; D141-T143 PolarHBondContact O-N 3.23Å; T143-K146 PolarHBondContact O-N 3.22Å; T143-L147 HydrophobicContact CG2-CD1 4.27Å; T143-L147 PolarHBondContact O-N 2.98Å
144K66.2Low62.9Low46 Ų4669.2 Ų69.220%0.237%0.374CS..Hα-helixtrans-59.8-51.3173-64.5-175.4-172.6-174.20110.7D131 G136 L139 S140 D141 K146 L147 D148D131-K144 WeakPolarHBondContact OD2-CE 3.34Å; D131-K144 IonicContact OD2-NZ 3.91Å; D131-K144 PolarHBondContact OD2-NZ 2.89Å; G136-K144 PolarHBondContact O-NZ 3.48Å; L139-K144 HydrophobicContact CB-CD 4.33Å; L139-K144 HydrophobicContact CB-CG 3.67Å; L139-K144 WeakPolarHBondContact O-CE 3.4Å; S140-K144 PolarHBondContact O-N 2.9Å; D141-K144 PolarHBondContact O-N 3.5Å; K144-K146 VanDerWaalsContact C-N 3.26Å; K144-K146 PolarHBondContact O-N 3.33Å; K144-L147 WeakPolarHBondContact O-CA 3.45Å; K144-L147 VanDerWaalsContact O-CB 3.29Å; K144-L147 WeakPolarHBondContact O-CB 3.4Å; K144-L147 PolarHBondContact O-N 3.48Å; K144-L147 VanDerWaalsContact O-N 3.1Å; K144-D148 PolarHBondContact O-N 3.27Å
145H61.4Low61.5Low116 Ų11669.1 Ų69.154%0.53737%0.373SS..Hα-helixtrans-61.9-35.2176.2-170.8-108.4000111.5D141 D148 I149D141-H145 WeakPolarHBondContact O-CB 3.42Å; D141-H145 PolarHBondContact O-N 2.94Å; H145-D148 CarbonylContact O-C 3.38Å; H145-D148 PolarHBondContact O-N 2.98Å; H145-I149 WeakPolarHBondContact CE1-CD1 3.47Å; H145-I149 VanDerWaalsContact CE1-CG1 3.44Å; H145-I149 WeakPolarHBondContact CE1-CG1 3.44Å; H145-I149 WeakPolarHBondContact ND1-CD1 3.43Å; H145-I149 WeakPolarHBondContact O-CB 3.49Å; H145-I149 VanDerWaalsContact O-CG1 3.25Å; H145-I149 WeakPolarHBondContact O-CG1 3.29Å; H145-I149 PolarHBondContact O-N 3.3Å
146K62.9Low60.3Low120 Ų12069.2 Ų69.252%0.52237%0.367SS..Hα-helixtrans-68.8-38.2174.4-170.2172.9-176.5177.50112.1I142 T143 K144 D148 D150I142-K146 WeakPolarHBondContact O-CB 3.39Å; I142-K146 PolarHBondContact O-N 3.31Å; T143-K146 PolarHBondContact O-N 3.22Å; K144-K146 VanDerWaalsContact C-N 3.26Å; K144-K146 PolarHBondContact O-N 3.33Å; K146-D148 PolarHBondContact O-N 3.44Å; K146-D150 WeakPolarHBondContact CG-OD2 3.41Å; K146-D150 WeakPolarHBondContact O-CB 3.33Å; K146-D150 VanDerWaalsContact O-CG 3.24Å; K146-D150 PolarHBondContact O-N 3.35Å
147L64.5Low59.5Low9 Ų972.9 Ų72.95%0.04739%0.387CS..Hα-helixtrans-57.8-38.6170-108.777.5000111.3Y120 R124 I127 T143 K144 L205Y120-L147 PolarHBondContact OH-O 2.91Å; R124-L147 HydrophobicContact CG-CD2 4.33Å; I127-L147 HydrophobicContact CB-CD2 4.38Å; I127-L147 HydrophobicContact CG2-CD2 3.79Å; T143-L147 HydrophobicContact CG2-CD1 4.27Å; T143-L147 PolarHBondContact O-N 2.98Å; K144-L147 WeakPolarHBondContact O-CA 3.45Å; K144-L147 VanDerWaalsContact O-CB 3.29Å; K144-L147 WeakPolarHBondContact O-CB 3.4Å; K144-L147 PolarHBondContact O-N 3.48Å; K144-L147 VanDerWaalsContact O-N 3.1Å; L147-L205 HydrophobicContact CD1-CD2 3.84Å; L147-L205 HydrophobicContact CD2-CD2 4.25Å; L147-L205 HydrophobicContact CG-CD2 3.93Å
148D60.2Low58.5Low66 Ų6668.2 Ų68.235%0.35336%0.362SS..Hα-helixtrans-79.3-42.9179.5-70.8-19.7000113.7R124 K144 H145 K146 F151R124-D148 IonicContact CZ-OD1 3.48Å; R124-D148 IonicContact NE-OD1 3.29Å; R124-D148 IonicContact NH2-OD1 2.75Å; R124-D148 PolarHBondContact NH2-OD1 3.06Å; K144-D148 PolarHBondContact O-N 3.27Å; H145-D148 CarbonylContact O-C 3.38Å; H145-D148 PolarHBondContact O-N 2.98Å; K146-D148 PolarHBondContact O-N 3.44Å; D148-F151 WeakPolarHBondContact O-CB 3.15Å; D148-F151 PolarHBondContact O-N 3.29Å
149I56.3Low57.7Low67 Ų6767 Ų6734%0.34436%0.361SS..Hα-helixtrans-60.6-49.9174.1-74.8176.5000109.4H145 F151 H152 T153H145-I149 WeakPolarHBondContact CE1-CD1 3.47Å; H145-I149 VanDerWaalsContact CE1-CG1 3.44Å; H145-I149 WeakPolarHBondContact CE1-CG1 3.44Å; H145-I149 WeakPolarHBondContact ND1-CD1 3.43Å; H145-I149 WeakPolarHBondContact O-CB 3.49Å; H145-I149 VanDerWaalsContact O-CG1 3.25Å; H145-I149 WeakPolarHBondContact O-CG1 3.29Å; H145-I149 PolarHBondContact O-N 3.3Å; I149-F151 PolarHBondContact O-N 3.29Å; I149-H152 PolarHBondContact O-N 2.76Å; I149-T153 WeakPolarHBondContact CG2-OG1 3.1Å; I149-T153 PolarHBondContact O-N 3.27Å; I149-T153 PolarHBondContact O-OG1 2.96Å
150D57.3Low56.8Low36 Ų3673.2 Ų73.219%0.19339%0.388CS..Iπ-helixtrans-60.3-35.2-173-80.1-22.8000109.1K146 H152 T154 F155K146-D150 WeakPolarHBondContact CG-OD2 3.41Å; K146-D150 WeakPolarHBondContact O-CB 3.33Å; K146-D150 VanDerWaalsContact O-CG 3.24Å; K146-D150 PolarHBondContact O-N 3.35Å; D150-H152 PolarHBondContact O-N 2.96Å; D150-T154 WeakPolarHBondContact OD1-CB 3.31Å; D150-T154 PolarHBondContact OD1-OG1 3.04Å; D150-F155 VanDerWaalsContact C-CE2 3.48Å; D150-F155 HydrophobicContact CB-CZ 4.45Å; D150-F155 WeakPolarHBondContact O-CD2 3.28Å; D150-F155 WeakPolarHBondContact O-CE2 3.31Å
151F54.2Low55.5Low24 Ų2474.1 Ų74.111%0.10538%0.384CS..Iπ-helixtrans-56.6-44.1174.4-171.5-120.5000113.8Y120 D148 I149 I189 I193 T195Y120-F151 HydrophobicContact CD1-CD2 4.14Å; Y120-F151 HydrophobicContact CD1-CE2 4.29Å; Y120-F151 AromaticContact CE1-CD2 3.29Å; Y120-F151 HydrophobicContact CE1-CD2 3.29Å; Y120-F151 AromaticContact CE1-CE2 3.82Å; Y120-F151 HydrophobicContact CE1-CE2 3.82Å; Y120-F151 HydrophobicContact CE1-CG 4.26Å; Y120-F151 AromaticContact CZ-CD2 3.88Å; Y120-F151 WeakPolarHBondContact OH-CB 3.27Å; D148-F151 WeakPolarHBondContact O-CB 3.15Å; D148-F151 PolarHBondContact O-N 3.29Å; I149-F151 PolarHBondContact O-N 3.29Å; F151-I189 HydrophobicContact CZ-CG2 4.29Å; F151-I193 HydrophobicContact CE2-CG1 4.28Å; F151-I193 HydrophobicContact CZ-CG1 4.23Å; F151-T195 PolarHBondContact O-OG1 2.62Å
152H54.3Low54.3Low113 Ų11376 Ų7652%0.52339%0.386SS..Iπ-helixtrans-95.3-26.5-173.2-74.8-64.1000114.7I149 D150I149-H152 PolarHBondContact O-N 2.76Å; D150-H152 PolarHBondContact O-N 2.96Å
153T49.9Very low53.4Low99 Ų9972.4 Ų72.461%0.60738%0.383SS*.Iπ-helixtrans-125.5-26.6-161.965.30000115.9I149I149-T153 WeakPolarHBondContact CG2-OG1 3.1Å; I149-T153 PolarHBondContact O-N 3.27Å; I149-T153 PolarHBondContact O-OG1 2.96Å
154T52.3Low51.6Low71 Ų7179.9 Ų79.944%0.43642%0.415SS..Iπ-helixtrans-87.6-15.8-172.9-54.10000112.9D150D150-T154 WeakPolarHBondContact OD1-CB 3.31Å; D150-T154 PolarHBondContact OD1-OG1 3.04Å
155F53.8Low49.8Very low10 Ų1082 Ų824%0.04444%0.435CS..SBendtrans-98.7146.8-169.6-66.1-46.3000111.9Y120 D150 T195 L196 P197 N201Y120-F155 HydrophobicContact CD2-CE2 4.45Å; Y120-F155 HydrophobicContact CD2-CZ 4.23Å; Y120-F155 AromaticContact CE2-CE2 3.75Å; Y120-F155 HydrophobicContact CE2-CE2 3.75Å; Y120-F155 AromaticContact CE2-CZ 3.65Å; Y120-F155 HydrophobicContact CE2-CZ 3.65Å; Y120-F155 AromaticContact CZ-CE2 3.93Å; D150-F155 VanDerWaalsContact C-CE2 3.48Å; D150-F155 HydrophobicContact CB-CZ 4.45Å; D150-F155 WeakPolarHBondContact O-CD2 3.28Å; D150-F155 WeakPolarHBondContact O-CE2 3.31Å; F155-T195 HydrophobicContact CB-CG2 4.27Å; F155-T195 VanDerWaalsContact CB-OG1 3.29Å; F155-T195 WeakPolarHBondContact CB-OG1 3.14Å; F155-T195 VanDerWaalsContact O-CB 3.27Å; F155-T195 WeakPolarHBondContact O-CB 3.42Å; F155-T195 WeakPolarHBondContact O-CG2 3.38Å; F155-L196 WeakPolarHBondContact CB-O 3.33Å; F155-L196 WeakPolarHBondContact CD1-O 3.47Å; F155-P197 VanDerWaalsContact CD1-CA 3.49Å; F155-P197 HydrophobicContact CD1-CB 4.35Å; F155-P197 HydrophobicContact CD2-CG 4.32Å; F155-P197 VanDerWaalsContact CE1-CA 3.46Å; F155-P197 HydrophobicContact CE1-CB 3.9Å; F155-P197 HydrophobicContact CE1-CG 4.46Å; F155-P197 HydrophobicContact CE2-CB 4.34Å; F155-P197 HydrophobicContact CE2-CG 4.08Å; F155-P197 HydrophobicContact CZ-CB 3.92Å; F155-P197 HydrophobicContact CZ-CG 4.17Å; F155-N201 HydrophobicContact CE1-CB 4.14Å
156P53.6Low48Very low40 Ų4084.5 Ų84.526%0.2645%0.453SS..PPolyproline II helixtrans-62.1136.4179.222.9-33.8000111.5T195 L196P156-T195 CarbonylContact O-C 3.59Å; P156-T195 WeakPolarHBondContact O-CA 3.4Å; P156-L196 WeakPolarHBondContact CD-O 3.41Å; P156-L196 HydrophobicContact CG-CB 4.24Å; P156-L196 PolarHBondContact O-N 3.44Å
157P54.7Low46.3Very low95 Ų9583.6 Ų83.662%0.61746%0.461SS*.BIsolated β-bridgetrans-62.3141.5-176.523.4-32000112.4T159 Q194P157-T159 PolarHBondContact O-N 3.44Å; P157-T159 VanDerWaalsContact O-N 3.14Å; P157-Q194 CarbonylContact C-O 3.36Å; P157-Q194 WeakPolarHBondContact CA-O 3.46Å
158I47.9Very low44.6Very low43 Ų4390.6 Ų90.622%0.22150%0.496CS..  trans-71.4106.5169.4-64.7-169.2000107.5K160 I193 Q194I158-K160 HydrophobicContact CG2-CG 4.36Å; I158-K160 PolarHBondContact O-N 2.75Å; I158-K160 VanDerWaalsContact O-N 3.1Å; I158-I193 HydrophobicContact CD1-CB 4.29Å; I158-I193 HydrophobicContact CD1-CG2 4.02Å; I158-I193 WeakPolarHBondContact CD1-O 3.44Å; I158-Q194 PolarHBondContact N-O 3.45Å
159T50.5Low43.1Very low67 Ų6794.6 Ų94.641%0.41152%0.518SS..  trans-66.7109.3160-48.90000107.6P157 F161P157-T159 PolarHBondContact O-N 3.44Å; P157-T159 VanDerWaalsContact O-N 3.14Å; T159-F161 VanDerWaalsContact C-N 3.32Å; T159-F161 HydrophobicContact CG2-CD1 4.29Å; T159-F161 HydrophobicContact CG2-CD2 3.92Å; T159-F161 HydrophobicContact CG2-CE1 3.88Å; T159-F161 HydrophobicContact CG2-CE2 3.49Å; T159-F161 VanDerWaalsContact CG2-CE2 3.49Å; T159-F161 HydrophobicContact CG2-CG 4.31Å; T159-F161 HydrophobicContact CG2-CZ 3.46Å; T159-F161 VanDerWaalsContact CG2-CZ 3.46Å; T159-F161 PolarHBondContact O-N 3.38Å
160K46.1Very low42Very low140 Ų14099.8 Ų99.861%0.60954%0.541SS*.  trans-71.791.7169.1-64.9-173.5179.8-174.20107.4I158 F162I158-K160 HydrophobicContact CG2-CG 4.36Å; I158-K160 PolarHBondContact O-N 2.75Å; I158-K160 VanDerWaalsContact O-N 3.1Å; K160-F162 HydrophobicContact CB-CD2 3.83Å; K160-F162 HydrophobicContact CB-CE2 3.64Å; K160-F162 HydrophobicContact CD-CE2 3.72Å; K160-F162 HydrophobicContact CD-CZ 4.09Å; K160-F162 HydrophobicContact CG-CE2 4.31Å; K160-F162 PolarHBondContact O-N 3.01Å
161F40.5Very low40.5Very low80 Ų80105.5 Ų105.535%0.35157%0.571SS.*  trans-73.883.5166.1-69.9-75.9000107.4E74 D77 T159 G163E74-F161 HydrophobicContact CG-CD1 3.73Å; E74-F161 HydrophobicContact CG-CD2 4.43Å; E74-F161 HydrophobicContact CG-CE1 3.94Å; E74-F161 HydrophobicContact CG-CG 4Å; E74-F161 HydrophobicContact CG-CZ 4.37Å; D77-F161 HydrophobicContact CB-CE2 4.16Å; D77-F161 HydrophobicContact CB-CZ 4.09Å; D77-F161 WeakPolarHBondContact OD2-CZ 3.36Å; T159-F161 VanDerWaalsContact C-N 3.32Å; T159-F161 HydrophobicContact CG2-CD1 4.29Å; T159-F161 HydrophobicContact CG2-CD2 3.92Å; T159-F161 HydrophobicContact CG2-CE1 3.88Å; T159-F161 HydrophobicContact CG2-CE2 3.49Å; T159-F161 VanDerWaalsContact CG2-CE2 3.49Å; T159-F161 HydrophobicContact CG2-CG 4.31Å; T159-F161 HydrophobicContact CG2-CZ 3.46Å; T159-F161 VanDerWaalsContact CG2-CZ 3.46Å; T159-F161 PolarHBondContact O-N 3.38Å; F161-G163 PolarHBondContact O-N 3.07Å
162F34.5Very low39.4Very low169 Ų169111.5 Ų111.574%0.74160%0.604SS**  trans-63.2107165.5-77.9-83000106.8K160 Q164K160-F162 HydrophobicContact CB-CD2 3.83Å; K160-F162 HydrophobicContact CB-CE2 3.64Å; K160-F162 HydrophobicContact CD-CE2 3.72Å; K160-F162 HydrophobicContact CD-CZ 4.09Å; K160-F162 HydrophobicContact CG-CE2 4.31Å; K160-F162 PolarHBondContact O-N 3.01Å; F162-Q164 PolarHBondContact O-N 3.49Å
163G33.6Very low38.2Very low62 Ų62112.2 Ų112.264%0.63962%0.617SS**  trans-50.2124.7156.400000107.3F161 S165F161-G163 PolarHBondContact O-N 3.07Å; G163-S165 PolarHBondContact O-N 3.48Å
164Q28.2Very low37.5Very low204 Ų204113.1 Ų113.195%0.95362%0.618SS**  trans-57.186.4170.9-97.8160.5-42.200109.1F162F162-Q164 PolarHBondContact O-N 3.49Å
165S28.7Very low36.8Very low90 Ų90117.5 Ų117.563%0.62963%0.631SS**  trans-126.3105.3165.5-165.10000106.8G163 C167G163-S165 PolarHBondContact O-N 3.48Å; S165-C167 VanDerWaalsContact C-N 3.33Å; S165-C167 PolarHBondContact O-N 3.07Å; S165-C167 PolarHBondContact O-SG 2.84Å
166N25Very low35.7Very low170 Ų170125.1 Ų125.191%0.90967%0.672SS**  trans-54.595.3167.6-81-23.2000108.7
167C26.9Very low34.6Very low101 Ų101127 Ų12768%0.68270%0.698SS**  trans-112.5106.4171.3-45.80000106.8S165 D169S165-C167 VanDerWaalsContact C-N 3.33Å; S165-C167 PolarHBondContact O-N 3.07Å; S165-C167 PolarHBondContact O-SG 2.84Å; C167-D169 PolarHBondContact O-N 3.24Å
168I28.9Very low33.3Very low155 Ų155131.5 Ų131.580%0.79571%0.711SS**  trans-70.5121.1175.6-69.8164000107.6Q170I168-Q170 PolarHBondContact O-N 3.42Å
169D27.4Very low32.4Very low150 Ų150134.8 Ų134.880%0.80274%0.738SS**  trans-56.1128.3169-77.1-41.7000111C167C167-D169 PolarHBondContact O-N 3.24Å
170Q33.2Very low31.5Very low177 Ų177138.3 Ų138.383%0.82775%0.754SS**  trans-166.8101.6147.9-105.6157.532.800111.4I168I168-Q170 PolarHBondContact O-N 3.42Å
171N27Very low30.7Very low156 Ų156140.9 Ų140.983%0.83477%0.768SS**  trans33.8110.7138-60.9-18.4000118.7
172N30.7Very low30.3Very low150 Ų150146.6 Ų146.680%0.80279%0.789SS**  trans-145104.4139.6-144.7-2.6000111.1
173T29.3Very low30.5Very low127 Ų127144.4 Ų144.478%0.77978%0.781SS**  trans-72.1123.416543.20000109
174D35.6Very low30.8Very low118 Ų118146.1 Ų146.163%0.63178%0.783SS**  trans-161.2119.4158.9-104.4-17.4000113.4
175K37.2Very low31.3Very low164 Ų164138.8 Ų138.871%0.71375%0.75SS**  trans76.8102.3135.7-63.6170.4-173.9158.50121.2
176N29.6Very low31.7Very low170 Ų170138.8 Ų138.891%0.90974%0.743SS**  37.2111.5114.1-62.8-8.9000118.8
177G31.7Very low32.3Very low78 Ų78134.6 Ų134.680%0.80473%0.725SS**  trans-171.594.5161.700000111
178H26.9Very low32.9Very low191 Ų191132.4 Ų132.488%0.88471%0.711SS**  trans-67.8160.1168.9-77.5-37.9000111.6
179S28.1Very low33.5Very low112 Ų112128.9 Ų128.978%0.78369%0.693SS**  trans95.5130.5169.774.10000116.4
180N32Very low34.1Very low140 Ų140124.5 Ų124.575%0.74967%0.669SS**  trans82.273.8178.2-60.4-8.6000116.3Y182N180-Y182 PolarHBondContact O-N 2.77Å
181E29.1Very low34.6Very low195 Ų195120.2 Ų120.291%0.91166%0.659SS**  trans-64.266.5148.7-67178.4175.900109.4E183E181-E183 PolarHBondContact O-N 2.77Å
182Y33.2Very low35.3Very low200 Ų200116.1 Ų116.178%0.78464%0.642SS**  trans-58.9124.1135.9-93-96.7000104N180 S184N180-Y182 PolarHBondContact O-N 2.77Å; Y182-S184 PolarHBondContact O-N 3.43Å
183E38.7Very low36.2Very low122 Ų122109.4 Ų109.457%0.5761%0.606SS**  trans-60.558.5165.5-67.1178.1127.100109.3K126 E181 L185K126-E183 IonicContact NZ-OE2 3.29Å; K126-E183 PolarHBondContact NZ-OE2 2.8Å; E181-E183 PolarHBondContact O-N 2.77Å; E183-L185 PolarHBondContact O-N 3.48Å
184S39Very low37.3Very low98 Ų98109.8 Ų109.869%0.68560%0.599SS**  trans-62.285148.9171.40000103.7Y182 D186Y182-S184 PolarHBondContact O-N 3.43Å; S184-D186 PolarHBondContact O-N 3.17Å; S184-D186 VanDerWaalsContact O-N 3.08Å
185L38.4Very low38.4Very low50 Ų50104.7 Ų104.726%0.26257%0.572SS.*  trans-15.5110.1169.4-68.4157.8000109.5E118 C121 E183 P187 I190E118-L185 HydrophobicContact CB-CD1 3.82Å; E118-L185 HydrophobicContact CG-CD1 3.71Å; C121-L185 HydrophobicContact CB-CD2 3.7Å; E183-L185 PolarHBondContact O-N 3.48Å; L185-P187 WeakPolarHBondContact O-CD 3.3Å; L185-I190 HydrophobicContact CB-CD1 4.03Å; L185-I190 HydrophobicContact CB-CG1 4.46Å
186D37.9Very low39.6Very low90 Ų9096.9 Ų96.948%0.48154%0.538SS..  trans-46.5115.6-179.8-178.5-4.8000107.4S184 S188 I189 I190S184-D186 PolarHBondContact O-N 3.17Å; S184-D186 VanDerWaalsContact O-N 3.08Å; D186-S188 PolarHBondContact O-N 3.08Å; D186-S188 WeakPolarHBondContact OD1-CB 3.27Å; D186-S188 PolarHBondContact OD1-N 3.41Å; D186-S188 PolarHBondContact OD1-OG 3.34Å; D186-S188 VanDerWaalsContact OD1-OG 3.08Å; D186-S188 PolarHBondContact OD2-OG 2.77Å; D186-I189 HydrophobicContact CB-CD1 4.32Å; D186-I189 HydrophobicContact CB-CG1 4.24Å; D186-I189 PolarHBondContact O-N 2.96Å; D186-I190 PolarHBondContact O-N 3.32Å
187P36.9Very low41.3Very low83 Ų8389 Ų8954%0.53950%0.496SS..Hα-helixtrans-55.2-20.2-179.6-24.933000111.6L185 S191L185-P187 WeakPolarHBondContact O-CD 3.3Å; P187-S191 VanDerWaalsContact O-CB 3.22Å; P187-S191 WeakPolarHBondContact O-CB 3.26Å; P187-S191 PolarHBondContact O-N 3.38Å; P187-S191 PolarHBondContact O-OG 3.21Å
188S41.1Very low43.2Very low55 Ų5588.4 Ų88.439%0.38547%0.474SS..Hα-helixtrans-60.4-43.3171.385.90000112D186 S191 S192D186-S188 PolarHBondContact O-N 3.08Å; D186-S188 WeakPolarHBondContact OD1-CB 3.27Å; D186-S188 PolarHBondContact OD1-N 3.41Å; D186-S188 PolarHBondContact OD1-OG 3.34Å; D186-S188 VanDerWaalsContact OD1-OG 3.08Å; D186-S188 PolarHBondContact OD2-OG 2.77Å; S188-S191 CarbonylContact O-C 3.5Å; S188-S191 PolarHBondContact O-N 3.39Å; S188-S192 WeakPolarHBondContact O-CB 3.47Å; S188-S192 PolarHBondContact O-N 3.06Å; S188-S192 PolarHBondContact O-OG 3.39Å
189I40.2Very low45.5Very low80 Ų8083.2 Ų83.241%0.4145%0.451SS..Hα-helixtrans-66.9-46.3179.4-60175.6000109.4F151 D186 S191 S192 I193F151-I189 HydrophobicContact CZ-CG2 4.29Å; D186-I189 HydrophobicContact CB-CD1 4.32Å; D186-I189 HydrophobicContact CB-CG1 4.24Å; D186-I189 PolarHBondContact O-N 2.96Å; I189-S191 VanDerWaalsContact C-N 3.27Å; I189-S191 PolarHBondContact O-N 2.83Å; I189-S192 CarbonylContact O-C 3.59Å; I189-S192 WeakPolarHBondContact O-CA 3.28Å; I189-S192 WeakPolarHBondContact O-CB 3.24Å; I189-S192 PolarHBondContact O-N 2.87Å; I189-I193 VanDerWaalsContact O-CG1 3.28Å; I189-I193 WeakPolarHBondContact O-CG1 3.41Å; I189-I193 PolarHBondContact O-N 3.18Å
190I40.2Very low47.9Very low58 Ų5881.8 Ų81.830%0.29744%0.437SS..Hα-helixtrans-60-40.6177-57.7178.1000110.5E118 L185 D186 S192 I193E118-I190 HydrophobicContact CG-CD1 4.33Å; L185-I190 HydrophobicContact CB-CD1 4.03Å; L185-I190 HydrophobicContact CB-CG1 4.46Å; D186-I190 PolarHBondContact O-N 3.32Å; I190-S192 VanDerWaalsContact C-N 3.29Å; I190-S192 PolarHBondContact O-N 3.37Å; I190-I193 HydrophobicContact CG2-CD1 4.46Å; I190-I193 WeakPolarHBondContact O-CB 3.49Å; I190-I193 PolarHBondContact O-N 3.02Å
191S43.2Very low49.9Very low88 Ų8876.2 Ų76.262%0.61541%0.407SS*.Hα-helixtrans-68.8-26.6176.4-59.30000113.3P187 S188 I189P187-S191 VanDerWaalsContact O-CB 3.22Å; P187-S191 WeakPolarHBondContact O-CB 3.26Å; P187-S191 PolarHBondContact O-N 3.38Å; P187-S191 PolarHBondContact O-OG 3.21Å; S188-S191 CarbonylContact O-C 3.5Å; S188-S191 PolarHBondContact O-N 3.39Å; I189-S191 VanDerWaalsContact C-N 3.27Å; I189-S191 PolarHBondContact O-N 2.83Å
192S42.2Very low52.4Low69 Ų6967.3 Ų67.348%0.48337%0.366SS..Hα-helixtrans-85.2-9.9175.6-65.70000113.9S188 I189 I190 Q194S188-S192 WeakPolarHBondContact O-CB 3.47Å; S188-S192 PolarHBondContact O-N 3.06Å; S188-S192 PolarHBondContact O-OG 3.39Å; I189-S192 CarbonylContact O-C 3.59Å; I189-S192 WeakPolarHBondContact O-CA 3.28Å; I189-S192 WeakPolarHBondContact O-CB 3.24Å; I189-S192 PolarHBondContact O-N 2.87Å; I190-S192 VanDerWaalsContact C-N 3.29Å; I190-S192 PolarHBondContact O-N 3.37Å; S192-Q194 VanDerWaalsContact C-N 3.35Å; S192-Q194 PolarHBondContact O-N 2.82Å
193I50.4Low54.8Low9 Ų962.8 Ų62.85%0.04635%0.352CS..  trans-63.2101.7173-57.7178.4000106.4C117 F151 I158 I189 I190 T195C117-I193 HydrophobicContact CB-CD1 3.47Å; C117-I193 VanDerWaalsContact CB-CD1 3.47Å; F151-I193 HydrophobicContact CE2-CG1 4.28Å; F151-I193 HydrophobicContact CZ-CG1 4.23Å; I158-I193 HydrophobicContact CD1-CB 4.29Å; I158-I193 HydrophobicContact CD1-CG2 4.02Å; I158-I193 WeakPolarHBondContact CD1-O 3.44Å; I189-I193 VanDerWaalsContact O-CG1 3.28Å; I189-I193 WeakPolarHBondContact O-CG1 3.41Å; I189-I193 PolarHBondContact O-N 3.18Å; I190-I193 HydrophobicContact CG2-CD1 4.46Å; I190-I193 WeakPolarHBondContact O-CB 3.49Å; I190-I193 PolarHBondContact O-N 3.02Å; I193-T195 WeakPolarHBondContact CG2-O 3.32Å
194Q51.3Low56.9Low135 Ų13562.4 Ų62.463%0.63135%0.348SS*.  trans-86.2-4.7174.4-84.4172.2-26.100111P157 I158 S192P157-Q194 CarbonylContact C-O 3.36Å; P157-Q194 WeakPolarHBondContact CA-O 3.46Å; I158-Q194 PolarHBondContact N-O 3.45Å; S192-Q194 VanDerWaalsContact C-N 3.35Å; S192-Q194 PolarHBondContact O-N 2.82Å
195T59.2Low59Low12 Ų1258.3 Ų58.37%0.07432%0.319CS..BIsolated β-bridgetrans-150.7140.1-166.362.40000112.9F151 F155 P156 I193F151-T195 PolarHBondContact O-OG1 2.62Å; F155-T195 HydrophobicContact CB-CG2 4.27Å; F155-T195 VanDerWaalsContact CB-OG1 3.29Å; F155-T195 WeakPolarHBondContact CB-OG1 3.14Å; F155-T195 VanDerWaalsContact O-CB 3.27Å; F155-T195 WeakPolarHBondContact O-CB 3.42Å; F155-T195 WeakPolarHBondContact O-CG2 3.38Å; P156-T195 CarbonylContact O-C 3.59Å; P156-T195 WeakPolarHBondContact O-CA 3.4Å; I193-T195 WeakPolarHBondContact CG2-O 3.32Å
196L61.4Low61.3Low0 Ų057.2 Ų57.20%031%0.314CS..PPolyproline II helixtrans-93125.5-171.4-169.654.8000113.9Q81 L82 K113 C117 F155 P156 D198Q81-L196 HydrophobicContact CB-CD2 4.13Å; L82-L196 HydrophobicContact CD2-CD2 3.46Å; L82-L196 VanDerWaalsContact CD2-CD2 3.46Å; L82-L196 HydrophobicContact CD2-CG 4.34Å; L82-L196 HydrophobicContact CG-CD2 3.69Å; K113-L196 HydrophobicContact CB-CD1 4.4Å; K113-L196 HydrophobicContact CD-CD1 4.45Å; K113-L196 HydrophobicContact CD-CD2 4.31Å; K113-L196 HydrophobicContact CG-CD1 3.65Å; K113-L196 HydrophobicContact CG-CD2 4.13Å; C117-L196 VanDerWaalsContact SG-CD1 3.59Å; F155-L196 WeakPolarHBondContact CB-O 3.33Å; F155-L196 WeakPolarHBondContact CD1-O 3.47Å; P156-L196 WeakPolarHBondContact CD-O 3.41Å; P156-L196 HydrophobicContact CG-CB 4.24Å; P156-L196 PolarHBondContact O-N 3.44Å; L196-D198 PolarHBondContact O-N 2.79Å
197P66.7Low63.7Low3 Ų359.8 Ų59.82%0.01932%0.321CS..PPolyproline II helixtrans-66.6128.7177.1-25.836.8000115Y120 F155 I202Y120-P197 HydrophobicContact CD1-CG 4.12Å; Y120-P197 HydrophobicContact CD2-CB 3.76Å; Y120-P197 HydrophobicContact CD2-CG 3.68Å; Y120-P197 HydrophobicContact CE2-CG 4.37Å; Y120-P197 HydrophobicContact CG-CB 4.04Å; Y120-P197 HydrophobicContact CG-CG 3.54Å; F155-P197 VanDerWaalsContact CD1-CA 3.49Å; F155-P197 HydrophobicContact CD1-CB 4.35Å; F155-P197 HydrophobicContact CD2-CG 4.32Å; F155-P197 VanDerWaalsContact CE1-CA 3.46Å; F155-P197 HydrophobicContact CE1-CB 3.9Å; F155-P197 HydrophobicContact CE1-CG 4.46Å; F155-P197 HydrophobicContact CE2-CB 4.34Å; F155-P197 HydrophobicContact CE2-CG 4.08Å; F155-P197 HydrophobicContact CZ-CB 3.92Å; F155-P197 HydrophobicContact CZ-CG 4.17Å; P197-I202 HydrophobicContact CB-CD1 4.4Å; P197-I202 HydrophobicContact CB-CG1 4.21Å
198D70.7Confident66Low66 Ų6658.1 Ų58.135%0.35331%0.307SS..PPolyproline II helixtrans-65.4145.3170.9-67.1-21.2000111.6L196 T200 N201 I202L196-D198 PolarHBondContact O-N 2.79Å; D198-T200 VanDerWaalsContact C-N 3.26Å; D198-T200 PolarHBondContact O-N 3.25Å; D198-N201 HydrophobicContact CB-CB 4.46Å; D198-N201 PolarHBondContact O-N 2.9Å; D198-I202 PolarHBondContact O-N 3.32Å; D198-I202 VanDerWaalsContact O-N 3.12Å
199Q75.7Confident68.2Low83 Ų8357.8 Ų57.839%0.38830%0.298SS..Hα-helixtrans-53-44176.4-177.761.529.500112.1N201 I202 E203Q199-N201 PolarHBondContact O-N 3.31Å; Q199-I202 WeakPolarHBondContact O-CB 3.35Å; Q199-I202 PolarHBondContact O-N 2.91Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.38Å; Q199-E203 PolarHBondContact NE2-OE1 3.47Å; Q199-E203 VanDerWaalsContact NE2-OE1 3.15Å; Q199-E203 WeakPolarHBondContact O-CG 3.46Å; Q199-E203 PolarHBondContact O-N 2.81Å
200T78Confident70.6Confident82 Ų8259.6 Ų59.650%0.50331%0.305SS..Hα-helixtrans-61.3-32.2178.4-44.50000112.7D198 K204D198-T200 VanDerWaalsContact C-N 3.26Å; D198-T200 PolarHBondContact O-N 3.25Å; T200-K204 VanDerWaalsContact O-CG 3.31Å; T200-K204 WeakPolarHBondContact O-CG 3.38Å; T200-K204 PolarHBondContact O-N 3.05Å; T200-K204 VanDerWaalsContact O-N 3.09Å
201N75.6Confident72.9Confident22 Ų2262.7 Ų62.712%0.11832%0.318CS..Hα-helixtrans-79.8-34.5179.6-67.3-28000111.3F155 D198 Q199 E203 K204 L205F155-N201 HydrophobicContact CE1-CB 4.14Å; D198-N201 HydrophobicContact CB-CB 4.46Å; D198-N201 PolarHBondContact O-N 2.9Å; Q199-N201 PolarHBondContact O-N 3.31Å; N201-E203 VanDerWaalsContact C-N 3.29Å; N201-E203 PolarHBondContact O-N 3.29Å; N201-K204 PolarHBondContact O-N 2.92Å; N201-K204 PolarHBondContact OD1-NZ 2.94Å; N201-L205 WeakPolarHBondContact O-CG 3.41Å; N201-L205 PolarHBondContact O-N 3.31Å
202I80.6Confident75Confident9 Ų959 Ų595%0.04629%0.291CS..Hα-helixtrans-60.1-41.5169.5-63.6172.9000110.5R116 R119 L123 P197 D198 Q199 L205 T206R116-I202 HydrophobicContact CB-CD1 3.92Å; R116-I202 HydrophobicContact CG-CD1 3.88Å; R119-I202 HydrophobicContact CG-CG2 3.82Å; L123-I202 HydrophobicContact CD1-CG2 3.94Å; P197-I202 HydrophobicContact CB-CD1 4.4Å; P197-I202 HydrophobicContact CB-CG1 4.21Å; D198-I202 PolarHBondContact O-N 3.32Å; D198-I202 VanDerWaalsContact O-N 3.12Å; Q199-I202 WeakPolarHBondContact O-CB 3.35Å; Q199-I202 PolarHBondContact O-N 2.91Å; I202-L205 PolarHBondContact O-N 2.97Å; I202-T206 WeakPolarHBondContact O-CB 3.23Å; I202-T206 PolarHBondContact O-N 2.89Å; I202-T206 PolarHBondContact O-OG1 3.31Å
203E83.6Confident77.2Confident104 Ų10458.4 Ų58.449%0.48628%0.281SS..Hα-helixtrans-65.8-42.5176.9-73167-167.800112.3Q199 N201 L205 T206 K207Q199-E203 WeakPolarHBondContact CG-OE1 3.38Å; Q199-E203 PolarHBondContact NE2-OE1 3.47Å; Q199-E203 VanDerWaalsContact NE2-OE1 3.15Å; Q199-E203 WeakPolarHBondContact O-CG 3.46Å; Q199-E203 PolarHBondContact O-N 2.81Å; N201-E203 VanDerWaalsContact C-N 3.29Å; N201-E203 PolarHBondContact O-N 3.29Å; E203-L205 PolarHBondContact O-N 2.87Å; E203-T206 PolarHBondContact O-N 3.28Å; E203-K207 PolarHBondContact O-N 3.38Å
204K83.4Confident79.2Confident114 Ų11462 Ų6250%0.49631%0.307SS..Hα-helixtrans-59.9-45.5173.3-71.8169.3-167.8159.90111.9T200 N201 T206 K207 I208T200-K204 VanDerWaalsContact O-CG 3.31Å; T200-K204 WeakPolarHBondContact O-CG 3.38Å; T200-K204 PolarHBondContact O-N 3.05Å; T200-K204 VanDerWaalsContact O-N 3.09Å; N201-K204 PolarHBondContact O-N 2.92Å; N201-K204 PolarHBondContact OD1-NZ 2.94Å; K204-T206 VanDerWaalsContact C-N 3.34Å; K204-K207 PolarHBondContact O-N 3.28Å; K204-I208 WeakPolarHBondContact O-CG1 3.42Å; K204-I208 PolarHBondContact O-N 3.02Å
205L81.9Confident80.9Confident13 Ų1358.3 Ų58.37%0.06829%0.291CS..Hα-helixtrans-64.4-39.7176.4-73.8173.3000111.6Y120 L123 I127 L147 N201 I202 E203 K207 I208 Y209Y120-L205 HydrophobicContact CD2-CD1 3.4Å; Y120-L205 VanDerWaalsContact CD2-CD1 3.4Å; Y120-L205 HydrophobicContact CE2-CD1 3.34Å; Y120-L205 HydrophobicContact CG-CD1 4.4Å; L123-L205 HydrophobicContact CB-CB 4.28Å; L123-L205 HydrophobicContact CD1-CB 4.06Å; I127-L205 HydrophobicContact CD1-CB 4.15Å; I127-L205 HydrophobicContact CD1-CD2 3.78Å; I127-L205 WeakPolarHBondContact CD1-O 3.41Å; L147-L205 HydrophobicContact CD1-CD2 3.84Å; L147-L205 HydrophobicContact CD2-CD2 4.25Å; L147-L205 HydrophobicContact CG-CD2 3.93Å; N201-L205 WeakPolarHBondContact O-CG 3.41Å; N201-L205 PolarHBondContact O-N 3.31Å; I202-L205 PolarHBondContact O-N 2.97Å; E203-L205 PolarHBondContact O-N 2.87Å; L205-K207 VanDerWaalsContact C-N 3.31Å; L205-K207 PolarHBondContact O-N 3.37Å; L205-I208 PolarHBondContact O-N 3.03Å; L205-Y209 WeakPolarHBondContact O-CB 3.47Å; L205-Y209 PolarHBondContact O-N 3.41Å
206T87.6Confident82.4Confident27 Ų2758.2 Ų58.217%0.16629%0.289CS..Hα-helixtrans-59.3-44.6175.1-57.30000110.7L123 I202 E203 K204 I208 Y209 E210L123-T206 WeakPolarHBondContact CD1-OG1 3.43Å; I202-T206 WeakPolarHBondContact O-CB 3.23Å; I202-T206 PolarHBondContact O-N 2.89Å; I202-T206 PolarHBondContact O-OG1 3.31Å; E203-T206 PolarHBondContact O-N 3.28Å; K204-T206 VanDerWaalsContact C-N 3.34Å; T206-I208 PolarHBondContact O-N 3.46Å; T206-Y209 WeakPolarHBondContact O-CB 3.28Å; T206-Y209 PolarHBondContact O-N 2.95Å; T206-E210 WeakPolarHBondContact O-CG 3.39Å; T206-E210 PolarHBondContact O-N 3.4Å
207K88.1Confident83.8Confident144 Ų14460.8 Ų60.863%0.62631%0.305SS*.Hα-helixtrans-62.4-43176.5-172.9179178.6-177.90112.7E203 K204 L205 E210 E211E203-K207 PolarHBondContact O-N 3.38Å; K204-K207 PolarHBondContact O-N 3.28Å; L205-K207 VanDerWaalsContact C-N 3.31Å; L205-K207 PolarHBondContact O-N 3.37Å; K207-E210 PolarHBondContact O-N 2.83Å; K207-E211 WeakPolarHBondContact O-CB 3.37Å; K207-E211 PolarHBondContact O-N 3.04Å
208I84.9Confident85.1Confident48 Ų4863.9 Ų63.925%0.24633%0.325CS..Hα-helixtrans-63-44176.2-67.4165.5000110.5I127 K204 L205 T206 E211 L212I127-I208 HydrophobicContact CD1-CB 4.36Å; I127-I208 HydrophobicContact CD1-CG2 4.19Å; I127-I208 HydrophobicContact CG1-CG2 4.45Å; I127-I208 HydrophobicContact CG2-CG2 4.26Å; K204-I208 WeakPolarHBondContact O-CG1 3.42Å; K204-I208 PolarHBondContact O-N 3.02Å; L205-I208 PolarHBondContact O-N 3.03Å; T206-I208 PolarHBondContact O-N 3.46Å; I208-E211 PolarHBondContact O-N 3.1Å; I208-L212 HydrophobicContact CG2-CD1 4.09Å; I208-L212 HydrophobicContact CG2-CG 4.47Å; I208-L212 WeakPolarHBondContact O-CG 3.41Å; I208-L212 PolarHBondContact O-N 3.45Å
209Y86.9Confident86.1Confident48 Ų4863.1 Ų63.119%0.18832%0.321CS..Hα-helixtrans-58.7-48.5175.9169.3-105.5000111.6W122 L123 K126 I127 L130 L205 T206 E211 L212 Q213W122-Y209 HydrophobicContact CH2-CE1 4.07Å; W122-Y209 HydrophobicContact CH2-CE2 4.47Å; W122-Y209 AromaticContact CH2-CZ 3.92Å; W122-Y209 HydrophobicContact CZ3-CD1 4.48Å; W122-Y209 HydrophobicContact CZ3-CE1 4.22Å; L123-Y209 HydrophobicContact CD2-CD1 4.21Å; L123-Y209 HydrophobicContact CD2-CG 4.05Å; K126-Y209 HydrophobicContact CB-CD2 3.98Å; K126-Y209 HydrophobicContact CB-CE2 3.77Å; I127-Y209 HydrophobicContact CG1-CD2 4.4Å; L130-Y209 HydrophobicContact CD1-CD2 3.7Å; L130-Y209 HydrophobicContact CD1-CE2 3.6Å; L205-Y209 WeakPolarHBondContact O-CB 3.47Å; L205-Y209 PolarHBondContact O-N 3.41Å; T206-Y209 WeakPolarHBondContact O-CB 3.28Å; T206-Y209 PolarHBondContact O-N 2.95Å; Y209-E211 VanDerWaalsContact C-N 3.33Å; Y209-E211 PolarHBondContact O-N 3.47Å; Y209-L212 PolarHBondContact O-N 2.84Å; Y209-Q213 VanDerWaalsContact O-CB 3.22Å; Y209-Q213 WeakPolarHBondContact O-CB 3.25Å; Y209-Q213 PolarHBondContact O-N 3.03Å; Y209-Q213 PolarHBondContact OH-OE1 3.47Å
210E90.9Very high86.8Confident118 Ų11859.7 Ų59.755%0.55131%0.307SS*.Hα-helixtrans-61.2-40.1177.8-73.6173.1-179.200112.4T206 K207 Q213 S214T206-E210 WeakPolarHBondContact O-CG 3.39Å; T206-E210 PolarHBondContact O-N 3.4Å; K207-E210 PolarHBondContact O-N 2.83Å; E210-Q213 PolarHBondContact O-N 3.36Å; E210-S214 VanDerWaalsContact O-CB 3.28Å; E210-S214 WeakPolarHBondContact O-CB 3.47Å; E210-S214 PolarHBondContact O-N 3.48Å
211E88.8Confident87.5Confident122 Ų12260.8 Ų60.857%0.5731%0.309SS*.Hα-helixtrans-64.5-48.8176.8-175.2173.2178.100111.7K207 I208 Y209 Q213 S214 I215K207-E211 WeakPolarHBondContact O-CB 3.37Å; K207-E211 PolarHBondContact O-N 3.04Å; I208-E211 PolarHBondContact O-N 3.1Å; Y209-E211 VanDerWaalsContact C-N 3.33Å; Y209-E211 PolarHBondContact O-N 3.47Å; E211-Q213 PolarHBondContact O-N 3.02Å; E211-S214 WeakPolarHBondContact O-CB 3.48Å; E211-S214 PolarHBondContact O-N 3.23Å; E211-I215 WeakPolarHBondContact O-CG1 3.4Å; E211-I215 PolarHBondContact O-N 2.88Å; E211-I215 VanDerWaalsContact O-N 3.14Å
212L86.5Confident88.3Confident12 Ų1264.3 Ų64.36%0.06333%0.325CS..Hα-helixtrans-63-42.2176.1-70.6176000111.7I127 L130 L134 Q138 L139 I208 Y209 S214 I215 Y216I127-L212 HydrophobicContact CG2-CD1 3.85Å; L130-L212 HydrophobicContact CB-CB 4.27Å; L130-L212 HydrophobicContact CD1-CB 3.97Å; L134-L212 HydrophobicContact CD1-CD2 4.07Å; Q138-L212 HydrophobicContact CB-CD2 3.77Å; L139-L212 HydrophobicContact CD1-CD1 3.78Å; L139-L212 HydrophobicContact CG-CD1 4.41Å; I208-L212 HydrophobicContact CG2-CD1 4.09Å; I208-L212 HydrophobicContact CG2-CG 4.47Å; I208-L212 WeakPolarHBondContact O-CG 3.41Å; I208-L212 PolarHBondContact O-N 3.45Å; Y209-L212 PolarHBondContact O-N 2.84Å; L212-S214 VanDerWaalsContact C-N 3.31Å; L212-S214 PolarHBondContact O-N 3.03Å; L212-I215 PolarHBondContact O-N 3.24Å; L212-I215 VanDerWaalsContact O-N 3.17Å; L212-Y216 WeakPolarHBondContact O-CB 3.44Å; L212-Y216 PolarHBondContact O-N 3.42Å
213Q90Very high88.8Confident56 Ų5664.4 Ų64.426%0.26233%0.326SS..Hα-helixtrans-62-40.3176.3-173.967.145.700111.2L130 Y209 E210 E211 I215 Y216 T217L130-Q213 HydrophobicContact CD1-CB 4.09Å; Y209-Q213 VanDerWaalsContact O-CB 3.22Å; Y209-Q213 WeakPolarHBondContact O-CB 3.25Å; Y209-Q213 PolarHBondContact O-N 3.03Å; Y209-Q213 PolarHBondContact OH-OE1 3.47Å; E210-Q213 PolarHBondContact O-N 3.36Å; E211-Q213 PolarHBondContact O-N 3.02Å; Q213-I215 VanDerWaalsContact C-N 3.26Å; Q213-I215 PolarHBondContact O-N 2.98Å; Q213-Y216 PolarHBondContact O-N 2.83Å; Q213-T217 PolarHBondContact NE2-OG1 3.37Å; Q213-T217 WeakPolarHBondContact O-CB 3.17Å; Q213-T217 PolarHBondContact O-N 2.91Å; Q213-T217 PolarHBondContact O-OG1 2.98Å
214S90.9Very high89.2Confident85 Ų8561.4 Ų61.459%0.59432%0.318SS*.Hα-helixtrans-64.7-28.9177-176.10000112.8E210 E211 L212 P218E210-S214 VanDerWaalsContact O-CB 3.28Å; E210-S214 WeakPolarHBondContact O-CB 3.47Å; E210-S214 PolarHBondContact O-N 3.48Å; E211-S214 WeakPolarHBondContact O-CB 3.48Å; E211-S214 PolarHBondContact O-N 3.23Å; L212-S214 VanDerWaalsContact C-N 3.31Å; L212-S214 PolarHBondContact O-N 3.03Å; S214-P218 WeakPolarHBondContact O-CD 3.28Å; S214-P218 WeakPolarHBondContact O-CG 3.43Å
215I88.5Confident89.6Confident57 Ų5758.3 Ų58.329%0.29231%0.314SS..Hα-helixtrans-81.5-44.5175-62.9166.4000110.4L134 E211 L212 Q213 P218L134-I215 HydrophobicContact CD2-CG2 4.07Å; E211-I215 WeakPolarHBondContact O-CG1 3.4Å; E211-I215 PolarHBondContact O-N 2.88Å; E211-I215 VanDerWaalsContact O-N 3.14Å; L212-I215 PolarHBondContact O-N 3.24Å; L212-I215 VanDerWaalsContact O-N 3.17Å; Q213-I215 VanDerWaalsContact C-N 3.26Å; Q213-I215 PolarHBondContact O-N 2.98Å; I215-P218 WeakPolarHBondContact O-CD 3.43Å; I215-P218 WeakPolarHBondContact O-CG 3.36Å
216Y89.6Confident90.2Very high9 Ų958.4 Ų58.44%0.03532%0.315CS..Hα-helixtrans-64.6-47.9-177.5177.7-105.6000112.9L130 L133 L134 L212 Q213 L219 A220 E306 P307 V309L130-Y216 HydrophobicContact CD2-CD1 3.76Å; L130-Y216 HydrophobicContact CD2-CE1 4.45Å; L130-Y216 HydrophobicContact CD2-CG 3.84Å; L133-Y216 HydrophobicContact CB-CD2 4.05Å; L133-Y216 HydrophobicContact CB-CE2 3.63Å; L133-Y216 HydrophobicContact CD1-CE1 4.29Å; L133-Y216 HydrophobicContact CD1-CE2 4.02Å; L133-Y216 HydrophobicContact CG-CE2 4.36Å; L134-Y216 HydrophobicContact CD2-CD2 4.13Å; L134-Y216 HydrophobicContact CG-CD2 4.17Å; L212-Y216 WeakPolarHBondContact O-CB 3.44Å; L212-Y216 PolarHBondContact O-N 3.42Å; Q213-Y216 PolarHBondContact O-N 2.83Å; Y216-L219 CarbonylContact O-C 3.5Å; Y216-L219 WeakPolarHBondContact O-CB 3.26Å; Y216-L219 PolarHBondContact O-N 2.93Å; Y216-L219 VanDerWaalsContact O-N 3.08Å; Y216-A220 HydrophobicContact CD1-CB 4.32Å; Y216-A220 HydrophobicContact CE1-CB 3.81Å; Y216-A220 HydrophobicContact CE2-CB 4.19Å; Y216-A220 WeakPolarHBondContact O-CB 3.23Å; Y216-A220 PolarHBondContact O-N 3.03Å; Y216-E306 HydrophobicContact CE1-CG 4.15Å; Y216-E306 WeakPolarHBondContact OH-CG 3.38Å; Y216-P307 WeakPolarHBondContact CE2-O 3.4Å; Y216-P307 WeakPolarHBondContact OH-CD 3.33Å; Y216-P307 PolarHBondContact OH-O 3.31Å; Y216-V309 HydrophobicContact CE2-CB 4.44Å; Y216-V309 HydrophobicContact CE2-CG2 3.87Å
217T91.6Very high90.4Very high54 Ų5458.2 Ų58.233%0.33131%0.311SS..Hα-helixtrans-52.4-52.8-174-54.20000113.9Q213 L219 A220 N221Q213-T217 PolarHBondContact NE2-OG1 3.37Å; Q213-T217 WeakPolarHBondContact O-CB 3.17Å; Q213-T217 PolarHBondContact O-N 2.91Å; Q213-T217 PolarHBondContact O-OG1 2.98Å; T217-L219 VanDerWaalsContact C-N 3.32Å; T217-L219 PolarHBondContact O-N 3.41Å; T217-A220 PolarHBondContact O-N 2.9Å; T217-N221 PolarHBondContact O-N 3.48Å; T217-N221 PolarHBondContact O-ND2 2.93Å
218P92.8Very high90.6Very high68 Ų6857.3 Ų57.344%0.44231%0.309SS..Hα-helixtrans-65.4-35178.525.8-34.9000113S214 I215 N221 Q222S214-P218 WeakPolarHBondContact O-CD 3.28Å; S214-P218 WeakPolarHBondContact O-CG 3.43Å; I215-P218 WeakPolarHBondContact O-CD 3.43Å; I215-P218 WeakPolarHBondContact O-CG 3.36Å; P218-N221 PolarHBondContact O-N 3.41Å; P218-Q222 PolarHBondContact O-N 3.5Å
219L91.2Very high91.1Very high50 Ų5056.8 Ų56.826%0.26231%0.307SS..Hα-helixtrans-66.2-44.1177.4-10169.8000111.2L134 Y216 T217 Q222 H223 V309 L314L134-L219 HydrophobicContact CD2-CD2 4.16Å; Y216-L219 CarbonylContact O-C 3.5Å; Y216-L219 WeakPolarHBondContact O-CB 3.26Å; Y216-L219 PolarHBondContact O-N 2.93Å; Y216-L219 VanDerWaalsContact O-N 3.08Å; T217-L219 VanDerWaalsContact C-N 3.32Å; T217-L219 PolarHBondContact O-N 3.41Å; L219-Q222 PolarHBondContact O-N 3.45Å; L219-H223 WeakPolarHBondContact O-CB 3.45Å; L219-H223 PolarHBondContact O-N 3.38Å; L219-V309 HydrophobicContact CB-CB 4.19Å; L219-V309 HydrophobicContact CB-CG1 3.63Å; L219-V309 HydrophobicContact CD2-CG1 4.08Å; L219-V309 HydrophobicContact CG-CG1 4.05Å; L219-L314 HydrophobicContact CD2-CD1 4.38Å; L219-L314 HydrophobicContact CG-CD1 4Å
220A91.7Very high91.5Very high12 Ų1254.6 Ų54.610%0.09930%0.298CS..Hα-helixtrans-62.4-42.6174.800000111.9Y216 T217 Q222 H223 A224 P307 V309Y216-A220 HydrophobicContact CD1-CB 4.32Å; Y216-A220 HydrophobicContact CE1-CB 3.81Å; Y216-A220 HydrophobicContact CE2-CB 4.19Å; Y216-A220 WeakPolarHBondContact O-CB 3.23Å; Y216-A220 PolarHBondContact O-N 3.03Å; T217-A220 PolarHBondContact O-N 2.9Å; A220-Q222 PolarHBondContact O-N 3.44Å; A220-H223 WeakPolarHBondContact O-CB 3.44Å; A220-H223 PolarHBondContact O-N 3.42Å; A220-A224 WeakPolarHBondContact O-CB 3.48Å; A220-A224 PolarHBondContact O-N 3.21Å; A220-P307 HydrophobicContact CB-CG 4.23Å; A220-V309 HydrophobicContact CB-CG2 4.22Å
221N91.7Very high91.6Very high104 Ų10449.6 Ų49.656%0.55628%0.277SS*.Hα-helixtrans-62.9-41.6174.9-69.3-21.5000111.9T217 P218 A224 A225T217-N221 PolarHBondContact O-N 3.48Å; T217-N221 PolarHBondContact O-ND2 2.93Å; P218-N221 PolarHBondContact O-N 3.41Å; N221-A224 PolarHBondContact O-N 3.09Å; N221-A225 WeakPolarHBondContact O-CB 3.07Å; N221-A225 PolarHBondContact O-N 3.13Å
222Q93Very high91.9Very high97 Ų9750.8 Ų50.845%0.45328%0.276SS..Hα-helixtrans-62.3-44.1174.6-175.81802000111.5P218 L219 A220 A225 L226 L314P218-Q222 PolarHBondContact O-N 3.5Å; L219-Q222 PolarHBondContact O-N 3.45Å; A220-Q222 PolarHBondContact O-N 3.44Å; Q222-A225 PolarHBondContact O-N 3.06Å; Q222-L226 HydrophobicContact CG-CD1 4.27Å; Q222-L226 WeakPolarHBondContact O-CG 3.35Å; Q222-L226 PolarHBondContact O-N 2.89Å; Q222-L314 HydrophobicContact CB-CD2 4.5Å; Q222-L314 HydrophobicContact CG-CD2 4.29Å
223H91.8Very high92.3Very high11 Ų1151.2 Ų51.25%0.05128%0.279CS..Hα-helixtrans-59.6-47176.5-178.3-82.6000111.5L219 A220 L226 R227 P307 V309 L314 L317L219-H223 WeakPolarHBondContact O-CB 3.45Å; L219-H223 PolarHBondContact O-N 3.38Å; A220-H223 WeakPolarHBondContact O-CB 3.44Å; A220-H223 PolarHBondContact O-N 3.42Å; H223-L226 PolarHBondContact O-N 3.39Å; H223-R227 WeakPolarHBondContact CE1-CD 3.24Å; H223-R227 WeakPolarHBondContact O-CG 3.44Å; H223-R227 PolarHBondContact O-N 2.83Å; H223-P307 HydrophobicContact CB-CG 4.45Å; H223-P307 VanDerWaalsContact CE1-CB 3.42Å; H223-P307 WeakPolarHBondContact CE1-CB 3.24Å; H223-P307 WeakPolarHBondContact ND1-CB 3.47Å; H223-V309 HydrophobicContact CB-CG1 4.44Å; H223-V309 HydrophobicContact CB-CG2 4.14Å; H223-L314 HydrophobicContact CB-CD2 3.82Å; H223-L317 WeakPolarHBondContact CD2-CD1 3.22Å; H223-L317 WeakPolarHBondContact NE2-CD1 3.45Å
224A90.8Very high92.5Very high40 Ų4048.5 Ų48.533%0.33127%0.267SS..Hα-helixtrans-59.8-49.4176.900000111.8A220 N221 L226 R227 E228A220-A224 WeakPolarHBondContact O-CB 3.48Å; A220-A224 PolarHBondContact O-N 3.21Å; N221-A224 PolarHBondContact O-N 3.09Å; A224-L226 VanDerWaalsContact C-N 3.33Å; A224-L226 PolarHBondContact O-N 3.31Å; A224-R227 WeakPolarHBondContact O-CB 3.37Å; A224-R227 PolarHBondContact O-N 3.32Å; A224-R227 VanDerWaalsContact O-N 3.1Å; A224-E228 PolarHBondContact O-N 2.81Å
225A93.2Very high92.6Very high50 Ų5046.2 Ų46.241%0.41325%0.253SS..Hα-helixtrans-59.6-41.5178.600000112.6N221 Q222 R227 E228 D229N221-A225 WeakPolarHBondContact O-CB 3.07Å; N221-A225 PolarHBondContact O-N 3.13Å; Q222-A225 PolarHBondContact O-N 3.06Å; A225-R227 VanDerWaalsContact C-N 3.35Å; A225-R227 PolarHBondContact O-N 3.31Å; A225-E228 PolarHBondContact O-N 2.87Å; A225-D229 WeakPolarHBondContact O-CB 3.45Å; A225-D229 PolarHBondContact O-N 3.32Å
226L94Very high92.8Very high15 Ų1546.9 Ų46.98%0.07926%0.257CS..Hα-helixtrans-62.3-42.3175.4-74.9171.8000111.6Q222 H223 A224 D229 I230 L314 L317Q222-L226 HydrophobicContact CG-CD1 4.27Å; Q222-L226 WeakPolarHBondContact O-CG 3.35Å; Q222-L226 PolarHBondContact O-N 2.89Å; H223-L226 PolarHBondContact O-N 3.39Å; A224-L226 VanDerWaalsContact C-N 3.33Å; A224-L226 PolarHBondContact O-N 3.31Å; L226-D229 PolarHBondContact O-N 3.19Å; L226-I230 WeakPolarHBondContact O-CB 3.43Å; L226-I230 WeakPolarHBondContact O-CD1 3.38Å; L226-I230 WeakPolarHBondContact O-CG1 3.47Å; L226-I230 PolarHBondContact O-N 2.96Å; L226-L314 HydrophobicContact CD1-CD2 4.2Å; L226-L317 HydrophobicContact CB-CB 4.22Å; L226-L317 HydrophobicContact CD1-CB 3.88Å
227R91.5Very high93Very high23 Ų2346.5 Ų46.59%0.08726%0.256CS..Hα-helixtrans-65.5-43.1178.6-75.6-175.163.5-177.65112.7H223 A224 A225 I230 A231 I252 V253 L317H223-R227 WeakPolarHBondContact CE1-CD 3.24Å; H223-R227 WeakPolarHBondContact O-CG 3.44Å; H223-R227 PolarHBondContact O-N 2.83Å; A224-R227 WeakPolarHBondContact O-CB 3.37Å; A224-R227 PolarHBondContact O-N 3.32Å; A224-R227 VanDerWaalsContact O-N 3.1Å; A225-R227 VanDerWaalsContact C-N 3.35Å; A225-R227 PolarHBondContact O-N 3.31Å; R227-I230 PolarHBondContact O-N 3.48Å; R227-A231 VanDerWaalsContact O-CB 3.31Å; R227-A231 WeakPolarHBondContact O-CB 3.38Å; R227-A231 PolarHBondContact O-N 3.2Å; R227-I252 VanDerWaalsContact NH2-CB 3.31Å; R227-V253 VanDerWaalsContact NH2-CG2 3.27Å; R227-L317 HydrophobicContact CG-CD1 4.4Å; R227-L317 HydrophobicContact CG-CD2 4.3Å
228E91.7Very high92.9Very high124 Ų12447 Ų4758%0.57925%0.253SS*.Hα-helixtrans-62.2-44.3175.8-72175.7-168.600111.6A224 A225 A231 R232A224-E228 PolarHBondContact O-N 2.81Å; A225-E228 PolarHBondContact O-N 2.87Å; E228-A231 PolarHBondContact O-N 3.42Å; E228-R232 WeakPolarHBondContact O-CB 3.38Å; E228-R232 PolarHBondContact O-N 2.85Å
229D94.9Very high93Very high37 Ų3744.6 Ų44.620%0.19824%0.236CC..Hα-helixtrans-61.6-47.2175.5-92.49.5000112A225 L226 A231 R232 V233 R321A225-D229 WeakPolarHBondContact O-CB 3.45Å; A225-D229 PolarHBondContact O-N 3.32Å; L226-D229 PolarHBondContact O-N 3.19Å; D229-A231 VanDerWaalsContact C-N 3.34Å; D229-A231 PolarHBondContact O-N 3.48Å; D229-R232 PolarHBondContact O-N 3.47Å; D229-R232 IonicContact OD1-CZ 3.72Å; D229-R232 IonicContact OD1-NH1 3.69Å; D229-R232 PolarHBondContact OD1-NH1 2.86Å; D229-R232 IonicContact OD1-NH2 4Å; D229-R232 PolarHBondContact OD1-NH2 3.39Å; D229-V233 WeakPolarHBondContact O-CG2 3.28Å; D229-V233 PolarHBondContact O-N 2.91Å; D229-R321 IonicContact OD2-CZ 2.69Å; D229-R321 VanDerWaalsContact OD2-CZ 3.31Å; D229-R321 IonicContact OD2-NE 2.91Å; D229-R321 PolarHBondContact OD2-NE 3.03Å; D229-R321 IonicContact OD2-NH2 2.76Å; D229-R321 PolarHBondContact OD2-NH2 3.15Å
230I95.4Very high93Very high2 Ų245.4 Ų45.41%0.0124%0.238CC..Hα-helixtrans-58.6-47.3176.8-75.9162.8000110.3L226 R227 R232 V233 A234 L317 W320 R321 L324L226-I230 WeakPolarHBondContact O-CB 3.43Å; L226-I230 WeakPolarHBondContact O-CD1 3.38Å; L226-I230 WeakPolarHBondContact O-CG1 3.47Å; L226-I230 PolarHBondContact O-N 2.96Å; R227-I230 PolarHBondContact O-N 3.48Å; I230-R232 VanDerWaalsContact C-N 3.35Å; I230-R232 PolarHBondContact O-N 3.41Å; I230-V233 PolarHBondContact O-N 2.89Å; I230-A234 WeakPolarHBondContact O-CB 3.5Å; I230-A234 PolarHBondContact O-N 3.25Å; I230-L317 HydrophobicContact CD1-CB 4.31Å; I230-L317 HydrophobicContact CD1-CD2 3.67Å; I230-W320 HydrophobicContact CD1-CD2 4.3Å; I230-W320 HydrophobicContact CD1-CE3 3.75Å; I230-W320 HydrophobicContact CD1-CZ3 4.29Å; I230-W320 HydrophobicContact CG1-CE3 4.5Å; I230-W320 HydrophobicContact CG2-CD2 4.22Å; I230-W320 HydrophobicContact CG2-CE3 3.95Å; I230-W320 HydrophobicContact CG2-CH2 3.71Å; I230-W320 HydrophobicContact CG2-CZ2 3.98Å; I230-W320 HydrophobicContact CG2-CZ3 3.7Å; I230-R321 HydrophobicContact CD1-CB 4.21Å; I230-R321 HydrophobicContact CG1-CB 3.81Å; I230-R321 HydrophobicContact CG1-CG 4.42Å; I230-L324 HydrophobicContact CB-CD1 4.3Å; I230-L324 HydrophobicContact CG1-CD1 4.33Å; I230-L324 HydrophobicContact CG2-CD1 3.74Å
231A93.2Very high92.9Very high13 Ų1346.3 Ų46.311%0.10724%0.243CC..Hα-helixtrans-62-43.2179.500000111.8R227 E228 D229 A234 A235 V253 L255R227-A231 VanDerWaalsContact O-CB 3.31Å; R227-A231 WeakPolarHBondContact O-CB 3.38Å; R227-A231 PolarHBondContact O-N 3.2Å; E228-A231 PolarHBondContact O-N 3.42Å; D229-A231 VanDerWaalsContact C-N 3.34Å; D229-A231 PolarHBondContact O-N 3.48Å; A231-A234 PolarHBondContact O-N 3Å; A231-A235 VanDerWaalsContact O-CB 3.28Å; A231-A235 WeakPolarHBondContact O-CB 3.39Å; A231-A235 PolarHBondContact O-N 3.06Å; A231-V253 HydrophobicContact CB-CB 4.24Å; A231-V253 HydrophobicContact CB-CG1 3.4Å; A231-L255 HydrophobicContact CB-CD1 3.75Å; A231-L255 WeakPolarHBondContact O-CD1 3.47Å
232R95.4Very high92.8Very high148 Ų14848.8 Ų48.856%0.55825%0.251SS*.Hα-helixtrans-61.5-47.4177.4-158.4-172.1-43.9106.46.3111.8E228 D229 I230 D236E228-R232 WeakPolarHBondContact O-CB 3.38Å; E228-R232 PolarHBondContact O-N 2.85Å; D229-R232 PolarHBondContact O-N 3.47Å; D229-R232 IonicContact OD1-CZ 3.72Å; D229-R232 IonicContact OD1-NH1 3.69Å; D229-R232 PolarHBondContact OD1-NH1 2.86Å; D229-R232 IonicContact OD1-NH2 4Å; D229-R232 PolarHBondContact OD1-NH2 3.39Å; I230-R232 VanDerWaalsContact C-N 3.35Å; I230-R232 PolarHBondContact O-N 3.41Å; R232-D236 WeakPolarHBondContact O-CB 3.39Å; R232-D236 PolarHBondContact O-N 3.36Å; R232-D236 VanDerWaalsContact O-N 3.09Å
233V95.4Very high92.8Very high20 Ų2046.9 Ų46.912%0.12125%0.248CC..Hα-helixtrans-68.3-42.7178.9178.50000111D229 I230 A235 D236 I237 L324 V325 K328D229-V233 WeakPolarHBondContact O-CG2 3.28Å; D229-V233 PolarHBondContact O-N 2.91Å; I230-V233 PolarHBondContact O-N 2.89Å; V233-A235 PolarHBondContact O-N 3.07Å; V233-D236 PolarHBondContact O-N 3.38Å; V233-I237 HydrophobicContact CG1-CD1 4.31Å; V233-I237 WeakPolarHBondContact O-CG1 3.37Å; V233-I237 PolarHBondContact O-N 2.95Å; V233-I237 VanDerWaalsContact O-N 3.1Å; V233-L324 HydrophobicContact CB-CB 4.49Å; V233-L324 HydrophobicContact CG1-CB 3.82Å; V233-V325 HydrophobicContact CG2-CG2 4.44Å; V233-K328 HydrophobicContact CG1-CB 4.27Å; V233-K328 HydrophobicContact CG1-CD 4.25Å
234A94.7Very high92.7Very high0 Ų053.2 Ų53.20%028%0.282CS..Hα-helixtrans-61.8-41.8178.800000112.1I230 A231 F238 Y239 L250 L255 L258 L324I230-A234 WeakPolarHBondContact O-CB 3.5Å; I230-A234 PolarHBondContact O-N 3.25Å; A231-A234 PolarHBondContact O-N 3Å; A234-F238 WeakPolarHBondContact O-CA 3.41Å; A234-F238 PolarHBondContact O-N 2.92Å; A234-Y239 PolarHBondContact O-N 3.41Å; A234-L250 HydrophobicContact CB-CD2 3.91Å; A234-L255 HydrophobicContact CB-CD1 4.42Å; A234-L258 HydrophobicContact CB-CD1 4.15Å; A234-L324 HydrophobicContact CB-CD1 4.47Å
235A92.4Very high92.5Very high37 Ų3757.7 Ų57.731%0.30629%0.294SS..Hα-helixtrans-66.2-41.6175.300000112.2A231 V233 I237 F238 L255A231-A235 VanDerWaalsContact O-CB 3.28Å; A231-A235 WeakPolarHBondContact O-CB 3.39Å; A231-A235 PolarHBondContact O-N 3.06Å; V233-A235 PolarHBondContact O-N 3.07Å; A235-I237 PolarHBondContact O-N 3.29Å; A235-F238 VanDerWaalsContact O-CD2 3.24Å; A235-F238 WeakPolarHBondContact O-CD2 3.38Å; A235-F238 WeakPolarHBondContact O-CE2 3.34Å; A235-F238 PolarHBondContact O-N 3.02Å; A235-L255 HydrophobicContact CB-CD1 4.37Å; A235-L255 HydrophobicContact CB-CD2 4.25Å
236D93Very high92.5Very high70 Ų7055.5 Ų55.537%0.37428%0.276SS..Hα-helixtrans-62.4-40.1-179.9-17445000112.6R232 V233 K328R232-D236 WeakPolarHBondContact O-CB 3.39Å; R232-D236 PolarHBondContact O-N 3.36Å; R232-D236 VanDerWaalsContact O-N 3.09Å; V233-D236 PolarHBondContact O-N 3.38Å; D236-K328 WeakPolarHBondContact OD2-CE 3.44Å; D236-K328 IonicContact OD2-NZ 3.42Å; D236-K328 PolarHBondContact OD2-NZ 2.87Å
237I92.4Very high92.2Very high2 Ų255.9 Ų55.91%0.0128%0.281CS..THydrogen-bonded Turntrans-100.97.2-179.574.6-175.3000114V233 A235 Y239 E327 K328 L331 P368V233-I237 HydrophobicContact CG1-CD1 4.31Å; V233-I237 WeakPolarHBondContact O-CG1 3.37Å; V233-I237 PolarHBondContact O-N 2.95Å; V233-I237 VanDerWaalsContact O-N 3.1Å; A235-I237 PolarHBondContact O-N 3.29Å; I237-Y239 PolarHBondContact O-N 3.47Å; I237-E327 HydrophobicContact CD1-CB 4.5Å; I237-E327 HydrophobicContact CD1-CG 4.36Å; I237-K328 HydrophobicContact CD1-CB 4.34Å; I237-K328 HydrophobicContact CG2-CB 3.68Å; I237-K328 HydrophobicContact CG2-CD 4.08Å; I237-K328 HydrophobicContact CG2-CG 3.69Å; I237-L331 HydrophobicContact CB-CD1 3.98Å; I237-L331 HydrophobicContact CD1-CD1 4.5Å; I237-L331 HydrophobicContact CG2-CD1 4.37Å; I237-P368 VanDerWaalsContact O-CD 3.24Å; I237-P368 WeakPolarHBondContact O-CD 3.35Å
238F91.6Very high92.1Very high64 Ų6460.6 Ų60.628%0.28130%0.304SS..THydrogen-bonded Turntrans50.144.9-175.6-83.7-111.6000112.5A234 A235 Q240 L258 K367A234-F238 WeakPolarHBondContact O-CA 3.41Å; A234-F238 PolarHBondContact O-N 2.92Å; A235-F238 VanDerWaalsContact O-CD2 3.24Å; A235-F238 WeakPolarHBondContact O-CD2 3.38Å; A235-F238 WeakPolarHBondContact O-CE2 3.34Å; A235-F238 PolarHBondContact O-N 3.02Å; F238-Q240 PolarHBondContact O-N 3.27Å; F238-L258 HydrophobicContact CD1-CD2 4.2Å; F238-L258 HydrophobicContact CG-CD2 4.46Å; F238-K367 HydrophobicContact CB-CB 4.39Å; F238-K367 HydrophobicContact CB-CG 4.38Å; F238-K367 HydrophobicContact CD1-CD 4.35Å; F238-K367 HydrophobicContact CD2-CB 4.44Å; F238-K367 HydrophobicContact CD2-CD 3.41Å; F238-K367 VanDerWaalsContact CD2-CD 3.41Å; F238-K367 VanDerWaalsContact CD2-CE 3.5Å; F238-K367 HydrophobicContact CD2-CG 3.57Å; F238-K367 HydrophobicContact CE1-CD 4.45Å; F238-K367 HydrophobicContact CE2-CD 3.56Å; F238-K367 HydrophobicContact CE2-CG 4.15Å; F238-K367 HydrophobicContact CG-CB 4.49Å; F238-K367 HydrophobicContact CG-CD 3.86Å; F238-K367 HydrophobicContact CG-CG 4.07Å; F238-K367 HydrophobicContact CZ-CD 4.09Å
239Y93.4Very high91.8Very high18 Ų1856.2 Ų56.27%0.07128%0.284CS..PPolyproline II helixtrans-59135.4-174.4177.4-105.1000111.8A234 I237 Q242 E246 L250 W320 L324A234-Y239 PolarHBondContact O-N 3.41Å; I237-Y239 PolarHBondContact O-N 3.47Å; Y239-Q242 PolarHBondContact OH-NE2 2.93Å; Y239-E246 WeakPolarHBondContact CE1-OE2 3.3Å; Y239-E246 PolarHBondContact OH-OE2 3.36Å; Y239-L250 HydrophobicContact CD1-CD1 4.34Å; Y239-W320 HydrophobicContact CE1-CZ2 4.1Å; Y239-W320 AromaticContact CE1-NE1 3.75Å; Y239-W320 AromaticContact CZ-NE1 3.95Å; Y239-L324 HydrophobicContact CD1-CD2 3.69Å; Y239-L324 HydrophobicContact CD2-CD2 3.26Å; Y239-L324 HydrophobicContact CE1-CD2 3.83Å; Y239-L324 HydrophobicContact CE2-CD2 3.42Å; Y239-L324 VanDerWaalsContact CE2-CD2 3.42Å; Y239-L324 HydrophobicContact CG-CD2 3.39Å
240Q90.8Very high91.5Very high66 Ų6654.5 Ų54.531%0.30828%0.275SS..PPolyproline II helixtrans-97.9121.1175.2-65.2-63.8-58.300109.8F238 Q242 L258 K260F238-Q240 PolarHBondContact O-N 3.27Å; Q240-Q242 PolarHBondContact O-N 2.91Å; Q240-L258 PolarHBondContact NE2-O 3.45Å; Q240-L258 PolarHBondContact OE1-O 2.98Å; Q240-K260 VanDerWaalsContact OE1-CD 3.24Å; Q240-K260 VanDerWaalsContact OE1-CG 3.25Å
241P91Very high91.1Very high31 Ų3157.1 Ų57.120%0.20129%0.291CS..PPolyproline II helixtrans-61.9134.2-179.324.6-32.2000111.3E246 A247 L250 L258 C259P241-E246 HydrophobicContact CB-CB 3.78Å; P241-A247 HydrophobicContact CB-CB 3.95Å; P241-A247 HydrophobicContact CG-CB 3.91Å; P241-L250 HydrophobicContact CB-CD1 4.09Å; P241-L250 HydrophobicContact CG-CD1 4.25Å; P241-L258 WeakPolarHBondContact CD-O 3.45Å; P241-C259 HydrophobicContact CG-CB 4.4Å
242Q89.8Confident90.6Very high157 Ų15760.1 Ų60.173%0.73431%0.305SS*.SBendtrans-98.4-3.8-177.6-62.817723.300112.8Y239 Q240 E246Y239-Q242 PolarHBondContact OH-NE2 2.93Å; Q240-Q242 PolarHBondContact O-N 2.91Å; Q242-E246 PolarHBondContact N-OE2 3.01Å
243S91.4Very high90Very high56 Ų5655.7 Ų55.739%0.39229%0.294SS..SBendtrans-148150.9-178.7179.10000109.9K245 E246 A247S243-K245 PolarHBondContact O-N 3.35Å; S243-E246 WeakPolarHBondContact O-CB 3.47Å; S243-E246 PolarHBondContact O-N 2.97Å; S243-A247 PolarHBondContact O-N 3.38Å
244D90Very high89.5Confident144 Ų14457.4 Ų57.477%0.7732%0.315SS*.Hα-helixtrans-54.4-35.9175-58.2-30.5000111.9E246 A247 E248D244-E246 PolarHBondContact O-N 3.39Å; D244-A247 PolarHBondContact O-N 2.87Å; D244-E248 WeakPolarHBondContact O-CB 3.48Å; D244-E248 PolarHBondContact O-N 3.16Å
245K87.3Confident89.1Confident134 Ų13458.4 Ų58.458%0.58332%0.321SS*.Hα-helixtrans-62.8-39.8175.5-66.1-172.7178.3-173.40112.8S243 I249 W316S243-K245 PolarHBondContact O-N 3.35Å; K245-I249 WeakPolarHBondContact O-CG1 3.13Å; K245-I249 PolarHBondContact O-N 2.98Å; K245-I249 VanDerWaalsContact O-N 3.17Å; K245-W316 HydrophobicContact CB-CH2 4.42Å; K245-W316 HydrophobicContact CB-CZ2 4.21Å
246E92.5Very high88.6Confident4 Ų463 Ų632%0.01933%0.334CS..Hα-helixtrans-69-42.9176.8-64.4-176.7175.900110.1Y239 P241 Q242 S243 D244 E248 I249 L250 W316 W320 R323Y239-E246 WeakPolarHBondContact CE1-OE2 3.3Å; Y239-E246 PolarHBondContact OH-OE2 3.36Å; P241-E246 HydrophobicContact CB-CB 3.78Å; Q242-E246 PolarHBondContact N-OE2 3.01Å; S243-E246 WeakPolarHBondContact O-CB 3.47Å; S243-E246 PolarHBondContact O-N 2.97Å; D244-E246 PolarHBondContact O-N 3.39Å; E246-E248 PolarHBondContact O-N 2.97Å; E246-I249 PolarHBondContact O-N 2.97Å; E246-L250 WeakPolarHBondContact O-CB 3.35Å; E246-L250 VanDerWaalsContact O-CG 3.28Å; E246-L250 WeakPolarHBondContact O-CG 3.48Å; E246-L250 PolarHBondContact O-N 3.18Å; E246-W316 HydrophobicContact CG-CH2 3.9Å; E246-W316 HydrophobicContact CG-CZ2 3.79Å; E246-W320 HydrophobicContact CB-CH2 3.87Å; E246-W320 HydrophobicContact CB-CZ2 3.6Å; E246-W320 HydrophobicContact CG-CD2 4.15Å; E246-W320 HydrophobicContact CG-CH2 4.11Å; E246-W320 HydrophobicContact CG-CZ2 3.67Å; E246-W320 PolarHBondContact OE1-NE1 3.49Å; E246-R323 IonicContact OE1-NH2 2.89Å; E246-R323 PolarHBondContact OE1-NH2 3.36Å
247A89.4Confident88.1Confident23 Ų2365.7 Ų65.719%0.1934%0.344CS..Hα-helixtrans-63.2-39.817800000112.5P241 S243 D244 T251 C259P241-A247 HydrophobicContact CB-CB 3.95Å; P241-A247 HydrophobicContact CG-CB 3.91Å; S243-A247 PolarHBondContact O-N 3.38Å; D244-A247 PolarHBondContact O-N 2.87Å; A247-T251 WeakPolarHBondContact O-CB 3.31Å; A247-T251 PolarHBondContact O-N 3.21Å; A247-T251 PolarHBondContact O-OG1 2.77Å; A247-C259 PolarHBondContact O-SG 3.49Å
248E87.7Confident87.6Confident122 Ų12265.7 Ų65.757%0.5734%0.344SS*.Hα-helixtrans-62.2-51.2175.1-175.5-178.5-179.500111D244 E246 L250 T251 I252D244-E248 WeakPolarHBondContact O-CB 3.48Å; D244-E248 PolarHBondContact O-N 3.16Å; E246-E248 PolarHBondContact O-N 2.97Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L250 PolarHBondContact O-N 3.16Å; E248-T251 WeakPolarHBondContact O-CA 3.44Å; E248-T251 WeakPolarHBondContact O-CB 3.43Å; E248-T251 PolarHBondContact O-N 3.21Å; E248-T251 VanDerWaalsContact O-N 3.08Å; E248-I252 HydrophobicContact CG-CD1 4.09Å; E248-I252 WeakPolarHBondContact O-CG1 3.31Å; E248-I252 PolarHBondContact O-N 3.46Å
249I86.2Confident86.9Confident32 Ų3263.7 Ų63.716%0.16434%0.338CS..Hα-helixtrans-62.7-43-179.5-67.8167.3000111.2K245 E246 T251 I252 V253 W316 L317 W320K245-I249 WeakPolarHBondContact O-CG1 3.13Å; K245-I249 PolarHBondContact O-N 2.98Å; K245-I249 VanDerWaalsContact O-N 3.17Å; E246-I249 PolarHBondContact O-N 2.97Å; I249-T251 VanDerWaalsContact C-N 3.28Å; I249-T251 PolarHBondContact O-N 3.43Å; I249-I252 PolarHBondContact O-N 2.93Å; I249-V253 WeakPolarHBondContact O-CG2 3.46Å; I249-V253 PolarHBondContact O-N 3.3Å; I249-W316 HydrophobicContact CD1-CE3 4.34Å; I249-W316 HydrophobicContact CD1-CH2 3.68Å; I249-W316 HydrophobicContact CD1-CZ3 3.29Å; I249-L317 HydrophobicContact CD1-CD2 4.26Å; I249-W320 HydrophobicContact CB-CH2 4.3Å; I249-W320 HydrophobicContact CB-CZ3 4.03Å; I249-W320 HydrophobicContact CD1-CZ3 4.04Å; I249-W320 HydrophobicContact CG2-CH2 4.29Å; I249-W320 HydrophobicContact CG2-CZ3 3.85Å
250L88.1Confident85.7Confident1 Ų168.9 Ų68.91%0.00536%0.361CS..Hα-helixtrans-61.9-38175.2-69.8177.2000111.4A234 Y239 P241 E246 E248 V253 G254 L255 L258 W320A234-L250 HydrophobicContact CB-CD2 3.91Å; Y239-L250 HydrophobicContact CD1-CD1 4.34Å; P241-L250 HydrophobicContact CB-CD1 4.09Å; P241-L250 HydrophobicContact CG-CD1 4.25Å; E246-L250 WeakPolarHBondContact O-CB 3.35Å; E246-L250 VanDerWaalsContact O-CG 3.28Å; E246-L250 WeakPolarHBondContact O-CG 3.48Å; E246-L250 PolarHBondContact O-N 3.18Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L250 PolarHBondContact O-N 3.16Å; L250-V253 PolarHBondContact O-N 2.73Å; L250-G254 PolarHBondContact O-N 2.89Å; L250-L255 HydrophobicContact CB-CB 4.15Å; L250-L255 HydrophobicContact CD2-CB 4.27Å; L250-L255 HydrophobicContact CD2-CD1 3.93Å; L250-L255 CarbonylContact O-C 3.58Å; L250-L255 VanDerWaalsContact O-CA 3.31Å; L250-L255 WeakPolarHBondContact O-CA 3.28Å; L250-L255 WeakPolarHBondContact O-CB 3.46Å; L250-L255 PolarHBondContact O-N 2.95Å; L250-L258 HydrophobicContact CD1-CB 4.47Å; L250-L258 HydrophobicContact CD1-CD1 4.48Å; L250-W320 HydrophobicContact CD2-CH2 4.24Å; L250-W320 HydrophobicContact CG-CH2 4.07Å; L250-W320 HydrophobicContact CG-CZ2 4.37Å
251T88.2Confident83.9Confident58 Ų5873.1 Ų73.136%0.35639%0.385SS..Hα-helixtrans-62.8-45.2175.3-60.30000111.6A247 E248 I249 V253 G254 K256A247-T251 WeakPolarHBondContact O-CB 3.31Å; A247-T251 PolarHBondContact O-N 3.21Å; A247-T251 PolarHBondContact O-OG1 2.77Å; E248-T251 WeakPolarHBondContact O-CA 3.44Å; E248-T251 WeakPolarHBondContact O-CB 3.43Å; E248-T251 PolarHBondContact O-N 3.21Å; E248-T251 VanDerWaalsContact O-N 3.08Å; I249-T251 VanDerWaalsContact C-N 3.28Å; I249-T251 PolarHBondContact O-N 3.43Å; T251-V253 VanDerWaalsContact C-N 3.27Å; T251-V253 PolarHBondContact O-N 2.78Å; T251-G254 PolarHBondContact O-N 3.39Å; T251-K256 HydrophobicContact CG2-CB 4.17Å; T251-K256 HydrophobicContact CG2-CD 4.11Å; T251-K256 HydrophobicContact CG2-CG 4.11Å
252I82.6Confident81.5Confident76 Ų7674.7 Ų74.739%0.3941%0.407SS..Hα-helixtrans-64.7-32.3178.8-59163.7000111.2R227 E248 I249 G254 Y305R227-I252 VanDerWaalsContact NH2-CB 3.31Å; E248-I252 HydrophobicContact CG-CD1 4.09Å; E248-I252 WeakPolarHBondContact O-CG1 3.31Å; E248-I252 PolarHBondContact O-N 3.46Å; I249-I252 PolarHBondContact O-N 2.93Å; I252-G254 PolarHBondContact O-N 3.33Å; I252-Y305 HydrophobicContact CG2-CD2 4.37Å; I252-Y305 HydrophobicContact CG2-CE2 4.36Å
253V81.9Confident79Confident55 Ų5575 Ų7533%0.33341%0.414SS..THydrogen-bonded Turntrans-82.35.6175.5-169.80000112.7R227 A231 I249 L250 T251 L255R227-V253 VanDerWaalsContact NH2-CG2 3.27Å; A231-V253 HydrophobicContact CB-CB 4.24Å; A231-V253 HydrophobicContact CB-CG1 3.4Å; I249-V253 WeakPolarHBondContact O-CG2 3.46Å; I249-V253 PolarHBondContact O-N 3.3Å; L250-V253 PolarHBondContact O-N 2.73Å; T251-V253 VanDerWaalsContact C-N 3.27Å; T251-V253 PolarHBondContact O-N 2.78Å; V253-L255 VanDerWaalsContact C-N 3.34Å
254G84.4Confident76.4Confident55 Ų5576.4 Ų76.457%0.56742%0.42SS*.THydrogen-bonded Turntrans81.89.1179.200000114.6L250 T251 I252 K256L250-G254 PolarHBondContact O-N 2.89Å; T251-G254 PolarHBondContact O-N 3.39Å; I252-G254 PolarHBondContact O-N 3.33Å; G254-K256 VanDerWaalsContact C-N 3.3Å; G254-K256 PolarHBondContact O-N 2.97Å
255L86.1Confident73.9Confident22 Ų2277.1 Ų77.112%0.11542%0.422CS..  trans-94.431175.9-61.6-179.7000112.8A231 A234 A235 L250 V253 H257 L258A231-L255 HydrophobicContact CB-CD1 3.75Å; A231-L255 WeakPolarHBondContact O-CD1 3.47Å; A234-L255 HydrophobicContact CB-CD1 4.42Å; A235-L255 HydrophobicContact CB-CD1 4.37Å; A235-L255 HydrophobicContact CB-CD2 4.25Å; L250-L255 HydrophobicContact CB-CB 4.15Å; L250-L255 HydrophobicContact CD2-CB 4.27Å; L250-L255 HydrophobicContact CD2-CD1 3.93Å; L250-L255 CarbonylContact O-C 3.58Å; L250-L255 VanDerWaalsContact O-CA 3.31Å; L250-L255 WeakPolarHBondContact O-CA 3.28Å; L250-L255 WeakPolarHBondContact O-CB 3.46Å; L250-L255 PolarHBondContact O-N 2.95Å; V253-L255 VanDerWaalsContact C-N 3.34Å; L255-H257 PolarHBondContact O-N 2.99Å; L255-H257 VanDerWaalsContact O-N 3.11Å; L255-L258 HydrophobicContact CB-CD1 4.03Å; L255-L258 HydrophobicContact CB-CG 4.33Å; L255-L258 HydrophobicContact CD1-CD1 4.12Å; L255-L258 WeakPolarHBondContact O-CB 3.44Å; L255-L258 PolarHBondContact O-N 3.42Å
256K82.8Confident71.3Confident134 Ų13474.3 Ų74.358%0.58342%0.419SS*.G310 helixtrans-55.7-29.4178.2-172.7178.4178.8177.50113.2T251 G254 L258 C259T251-K256 HydrophobicContact CG2-CB 4.17Å; T251-K256 HydrophobicContact CG2-CD 4.11Å; T251-K256 HydrophobicContact CG2-CG 4.11Å; G254-K256 VanDerWaalsContact C-N 3.3Å; G254-K256 PolarHBondContact O-N 2.97Å; K256-L258 PolarHBondContact O-N 3.17Å; K256-C259 VanDerWaalsContact O-CB 3.3Å; K256-C259 WeakPolarHBondContact O-CB 3.42Å; K256-C259 PolarHBondContact O-N 3.44Å
257H81.9Confident68.3Low125 Ų12578.5 Ų78.558%0.57945%0.446SS*.G310 helixtrans-64.6-21.4178.365.7-89.9000113.5L255 C259L255-H257 PolarHBondContact O-N 2.99Å; L255-H257 VanDerWaalsContact O-N 3.11Å; H257-C259 VanDerWaalsContact C-N 3.31Å
258L81.8Confident65.6Low2 Ų283.4 Ų83.41%0.0148%0.475CS..G310 helixtrans-75.1-23.7173.2-63.1-177.1000112.2A234 F238 Q240 P241 L250 L255 K256 K260A234-L258 HydrophobicContact CB-CD1 4.15Å; F238-L258 HydrophobicContact CD1-CD2 4.2Å; F238-L258 HydrophobicContact CG-CD2 4.46Å; Q240-L258 PolarHBondContact NE2-O 3.45Å; Q240-L258 PolarHBondContact OE1-O 2.98Å; P241-L258 WeakPolarHBondContact CD-O 3.45Å; L250-L258 HydrophobicContact CD1-CB 4.47Å; L250-L258 HydrophobicContact CD1-CD1 4.48Å; L255-L258 HydrophobicContact CB-CD1 4.03Å; L255-L258 HydrophobicContact CB-CG 4.33Å; L255-L258 HydrophobicContact CD1-CD1 4.12Å; L255-L258 WeakPolarHBondContact O-CB 3.44Å; L255-L258 PolarHBondContact O-N 3.42Å; K256-L258 PolarHBondContact O-N 3.17Å; L258-K260 PolarHBondContact O-N 2.98Å; L258-K260 VanDerWaalsContact O-N 3.15Å
259C78Confident63.1Low22 Ų2281.4 Ų81.415%0.14949%0.487CS..SBendtrans-7896.7175.2-52.70000108.4P241 A247 K256 H257 N261P241-C259 HydrophobicContact CG-CB 4.4Å; A247-C259 PolarHBondContact O-SG 3.49Å; K256-C259 VanDerWaalsContact O-CB 3.3Å; K256-C259 WeakPolarHBondContact O-CB 3.42Å; K256-C259 PolarHBondContact O-N 3.44Å; H257-C259 VanDerWaalsContact C-N 3.31Å; C259-N261 PolarHBondContact O-N 3.2Å; C259-N261 VanDerWaalsContact O-N 3.11Å
260K67.2Low60.3Low128 Ų12884.9 Ų84.956%0.55751%0.51SS*.  trans-55.8121.1170.6-76.1175.8-176.4-176.90109Q240 L258 G262Q240-K260 VanDerWaalsContact OE1-CD 3.24Å; Q240-K260 VanDerWaalsContact OE1-CG 3.25Å; L258-K260 PolarHBondContact O-N 2.98Å; L258-K260 VanDerWaalsContact O-N 3.15Å; K260-G262 PolarHBondContact O-N 2.9Å
261N53.7Low57.6Low154 Ų15491.1 Ų91.182%0.82455%0.547SS*.  trans-50.9116.9165.8-65.4-18.3000106.9C259 N263C259-N261 PolarHBondContact O-N 3.2Å; C259-N261 VanDerWaalsContact O-N 3.11Å; N261-N263 PolarHBondContact O-N 2.71Å
262G40.7Very low55Low64 Ų6498 Ų9866%0.6657%0.567SS**SBendtrans-45.9130.6-162.500000114.4K260K260-G262 PolarHBondContact O-N 2.9Å
263N37.8Very low52.4Low165 Ų165105.7 Ų105.788%0.88259%0.591SS**  trans173.116143.8-93.1-2.6000116.6N261N261-N263 PolarHBondContact O-N 2.71Å
264T37Very low50.2Low84 Ų84107.2 Ų107.252%0.51561%0.609SS.*  trans-129.294.1171.762.10000111.5S266T264-S266 PolarHBondContact O-N 2.85Å; T264-S266 PolarHBondContact O-OG 3.44Å
265I35.8Very low47.6Very low160 Ų160112 Ų11282%0.82162%0.622SS**  trans-53.896.8154.8-60.7164.4000105.7
266S34.4Very low45Very low74 Ų74118.2 Ų118.252%0.51766%0.655SS.*  trans-101.196.6175.8-56.50000106T264T264-S266 PolarHBondContact O-N 2.85Å; T264-S266 PolarHBondContact O-OG 3.44Å
267T29.4Very low42.6Very low93 Ų93115.1 Ų115.157%0.57166%0.662SS**  trans-63.8132.8167.6-53.80000108.2G269T267-G269 PolarHBondContact O-N 2.97Å
268P32.8Very low40.3Very low126 Ų126116.6 Ų116.682%0.81867%0.672SS**THydrogen-bonded Turntrans-59.6126.1173.4-16.128.1000109.7
269G33.5Very low37.8Very low79 Ų79123.8 Ų123.881%0.81471%0.711SS**THydrogen-bonded Turntrans98.613.8166.200000118T267T267-G269 PolarHBondContact O-N 2.97Å
270V28Very low35.5Very low106 Ų106127.6 Ų127.664%0.64274%0.737SS**  trans-97.2102.6174.1-176.80000110.9R272V270-R272 PolarHBondContact O-N 3.39Å
271V30.9Very low33.8Very low131 Ų131128.5 Ų128.579%0.79475%0.746SS**  trans-56.9112.8168.9-176.30000109
272R35.2Very low32.7Very low203 Ų203129 Ų12977%0.76675%0.745SS**  trans-89.2112.5167-74-170.3176.2134.21.5108.6V270 A274V270-R272 PolarHBondContact O-N 3.39Å; R272-A274 PolarHBondContact O-N 3.44Å
273R27.9Very low32.2Very low237 Ų237131.4 Ų131.489%0.89475%0.749SS**  trans-59.1115.2163.5-178.6177.8-82.3167.1-6.9107.7N275R273-N275 PolarHBondContact O-N 2.88Å; R273-N275 VanDerWaalsContact O-N 3.16Å
274A34.5Very low31.8Very low87 Ų87131.3 Ų131.372%0.71975%0.747SS**  trans-56.5117.5174.100000108.9R272R272-A274 PolarHBondContact O-N 3.44Å
275N31.1Very low31.6Very low157 Ų157132.5 Ų132.584%0.8476%0.759SS**  trans-86.5110167.8-177.383.6000107R273R273-N275 PolarHBondContact O-N 2.88Å; R273-N275 VanDerWaalsContact O-N 3.16Å
276D31Very low31.3Very low151 Ų151130.7 Ų130.781%0.80776%0.755SS**  trans-48.8139.7175.9-69.2-51.7000112.6
277G31.1Very low30.8Very low70 Ų70133.4 Ų133.472%0.72277%0.771SS**  trans118.763.3154.700000116.4
278I33.7Very low31Very low155 Ų155134 Ų13480%0.79578%0.779SS**  trans-133.4107.3139.9-58.4-178.5000108.5C280I278-C280 VanDerWaalsContact C-N 3.3Å; I278-C280 PolarHBondContact O-N 2.94Å
279N29.7Very low30.9Very low153 Ų153135.6 Ų135.682%0.81878%0.776SS**  trans-69.878.6177.4-158.38.7000109.3I281N279-I281 PolarHBondContact O-N 3.15Å
280C29.2Very low30.8Very low103 Ų103139.8 Ų139.870%0.69678%0.78SS**  trans-91.796.3172.7-80.90000109.3I278 M282I278-C280 VanDerWaalsContact C-N 3.3Å; I278-C280 PolarHBondContact O-N 2.94Å; C280-M282 PolarHBondContact O-N 3.4Å
281I32Very low30.9Very low146 Ų146139.6 Ų139.675%0.74978%0.783SS**  trans-50.7115.5170.9-64.9165.1000109.1N279 P283N279-I281 PolarHBondContact O-N 3.15Å; I281-P283 WeakPolarHBondContact O-CD 3.36Å
282M30.2Very low30.7Very low165 Ų165141.5 Ų141.581%0.81378%0.783SS**  trans-64.1122.1171.7-70.9-73.9-178.700110C280 I284C280-M282 PolarHBondContact O-N 3.4Å; M282-I284 PolarHBondContact O-N 2.94Å
283P31.8Very low30.5Very low114 Ų114138 Ų13874%0.7478%0.784SS**  trans-74.5114.8163.5-6.323.8000108.1I281 S285I281-P283 WeakPolarHBondContact O-CD 3.36Å; P283-S285 PolarHBondContact O-N 3.26Å
284I27.9Very low30.5Very low163 Ų163130.9 Ų130.984%0.83677%0.767SS**  trans-58.8108.8163.9-65.1165.8000106.7M282M282-I284 PolarHBondContact O-N 2.94Å
285S32.6Very low30.6Very low109 Ų109133 Ų13376%0.76277%0.772SS**  trans-137.1122.1162.8-73.30000108P283P283-S285 PolarHBondContact O-N 3.26Å
286T29.6Very low30.6Very low122 Ų122131.1 Ų131.175%0.74876%0.761SS**  trans-55.1152.3-171.241.80000113.5S288T286-S288 PolarHBondContact O-N 3.04Å
287P25.3Very low30.4Very low131 Ų131127.6 Ų127.685%0.85176%0.76SS**  trans-73.3103.9-174.421.3-12.9000109.4
288S32.8Very low30.4Very low106 Ų106131.1 Ų131.174%0.74176%0.762SS**  trans-89.1106170.7-157.90000108.5T286T286-S288 PolarHBondContact O-N 3.04Å
289E31.5Very low30.5Very low159 Ų159130.1 Ų130.174%0.74376%0.758SS**  trans29.9105.3146.1-66177.8161.300117.2S291E289-S291 PolarHBondContact O-N 3.12Å; E289-S291 PolarHBondContact O-OG 3.28Å
290N29.9Very low31Very low168 Ų168130.1 Ų130.190%0.89876%0.758SS**  trans18.463.7131.5-60.5-16.1000115.1E292N290-E292 VanDerWaalsContact C-N 3.26Å; N290-E292 PolarHBondContact O-N 2.9Å
291S30.4Very low31.5Very low101 Ų101130.7 Ų130.771%0.70675%0.754SS**  trans-86.587.7161.4-56.90000103.8E289 V293E289-S291 PolarHBondContact O-N 3.12Å; E289-S291 PolarHBondContact O-OG 3.28Å; S291-V293 VanDerWaalsContact C-N 3.31Å; S291-V293 PolarHBondContact O-N 2.66Å
292E27.9Very low32Very low171 Ų171131 Ų13180%0.79975%0.752SS**  trans-42.4108.4158.5-71.8177.2160.500105.7N290 T294N290-E292 VanDerWaalsContact C-N 3.26Å; N290-E292 PolarHBondContact O-N 2.9Å; E292-T294 PolarHBondContact O-N 3.02Å
293V29.6Very low32.7Very low130 Ų130129.4 Ų129.479%0.78875%0.747SS**  trans-69.381.1170.5176.40000104S291 T295S291-V293 VanDerWaalsContact C-N 3.31Å; S291-V293 PolarHBondContact O-N 2.66Å; V293-T295 PolarHBondContact O-N 2.61Å
294T28.7Very low33.9Very low87 Ų87129.7 Ų129.753%0.53475%0.747SS.*  trans-50.1114155.648.70000103.8E292 N296E292-T294 PolarHBondContact O-N 3.02Å; T294-N296 PolarHBondContact O-N 3.45Å; T294-N296 PolarHBondContact O-OD1 3.1Å; T294-N296 VanDerWaalsContact O-OD1 3.12Å; T294-N296 PolarHBondContact OG1-OD1 3.28Å
295T35.9Very low35.8Very low133 Ų133127.7 Ų127.782%0.81673%0.73SS**  trans-59.987.1168.1500000105.3V293 G297V293-T295 PolarHBondContact O-N 2.61Å; T295-G297 PolarHBondContact O-N 3.09Å
296N31.4Very low37.9Very low117 Ų117126.5 Ų126.563%0.62671%0.712SS**  trans-57.1116.3-176.3-72.5-21.6000105.6T294 L298T294-N296 PolarHBondContact O-N 3.45Å; T294-N296 PolarHBondContact O-OD1 3.1Å; T294-N296 VanDerWaalsContact O-OD1 3.12Å; T294-N296 PolarHBondContact OG1-OD1 3.28Å; N296-L298 HydrophobicContact CB-CD1 3.89Å; N296-L298 PolarHBondContact O-N 3.41Å
297G26.7Very low40.3Very low76 Ų76121.2 Ų121.278%0.78468%0.68SS**  trans-60.585.716800000108.4T295T295-G297 PolarHBondContact O-N 3.09Å
298L31.9Very low43.1Very low144 Ų144118.1 Ų118.175%0.75466%0.658SS**  trans-110.7116.2164.3-97.883.8000106.6N296N296-L298 HydrophobicContact CB-CD1 3.89Å; N296-L298 PolarHBondContact O-N 3.41Å
299D35.3Very low45.6Very low135 Ų135113.1 Ų113.172%0.72262%0.623SS**  trans75.143156.4-133.816.5000116.3N301D299-N301 PolarHBondContact O-N 3.42Å; D299-N301 PolarHBondContact OD1-ND2 2.9Å
300N40.4Very low48.2Very low152 Ų152107.6 Ų107.681%0.81360%0.599SS**  trans-7474.3150.1-69-23.8000107.6H302N300-H302 PolarHBondContact O-N 3.25Å
301N40.2Very low50.8Low116 Ų116107.7 Ų107.762%0.6259%0.591SS**  trans-56.283.5137.1-78.2-44.3000104.7D299 D303D299-N301 PolarHBondContact O-N 3.42Å; D299-N301 PolarHBondContact OD1-ND2 2.9Å; N301-D303 PolarHBondContact O-N 2.93Å
302H42.3Very low53.6Low152 Ų152110.2 Ų110.270%0.70459%0.592SS**  trans-73.558.3164-156.3-1.5000106N300 T304N300-H302 PolarHBondContact O-N 3.25Å; H302-T304 VanDerWaalsContact C-N 3.25Å; H302-T304 PolarHBondContact O-N 3.3Å
303D45.3Very low56.6Low131 Ų131104.6 Ų104.670%0.70157%0.567SS**  trans-41.8111.9141.2-80.9-23.2000103.1N301 Y305N301-D303 PolarHBondContact O-N 2.93Å; D303-Y305 PolarHBondContact O-N 3.45Å
304T56.5Low59.5Low121 Ų12199.1 Ų99.174%0.74253%0.533SS*.  trans-64.291.5-177.4-62.30000104.1H302 E306H302-T304 VanDerWaalsContact C-N 3.25Å; H302-T304 PolarHBondContact O-N 3.3Å; T304-E306 PolarHBondContact O-N 3.27Å
305Y67.9Low62.6Low121 Ų121102.2 Ų102.248%0.47554%0.535SS..  trans-62.1106.2-173.8172.6-90.3000105.8I252 D303 P307I252-Y305 HydrophobicContact CG2-CD2 4.37Å; I252-Y305 HydrophobicContact CG2-CE2 4.36Å; D303-Y305 PolarHBondContact O-N 3.45Å; Y305-P307 HydrophobicContact CD1-CB 4.43Å; Y305-P307 HydrophobicContact CE1-CB 3.8Å; Y305-P307 WeakPolarHBondContact O-CD 3.49Å
306E76.4Confident65.4Low83 Ų8399.3 Ų99.339%0.38851%0.509SS..  trans-94.5101.4-177.2-165.4169-162.700107.3H129 L133 Y216 T304H129-E306 IonicContact CD2-OE2 2.83Å; H129-E306 IonicContact CE1-OE2 3.5Å; H129-E306 IonicContact NE2-OE1 3.66Å; H129-E306 IonicContact NE2-OE2 3.59Å; H129-E306 PolarHBondContact NE2-OE2 3.42Å; L133-E306 HydrophobicContact CD1-CG 3.58Å; L133-E306 VanDerWaalsContact CD1-OE1 3.29Å; L133-E306 WeakPolarHBondContact CD1-OE1 3.4Å; L133-E306 HydrophobicContact CD2-CG 4.2Å; Y216-E306 HydrophobicContact CE1-CG 4.15Å; Y216-E306 WeakPolarHBondContact OH-CG 3.38Å; T304-E306 PolarHBondContact O-N 3.27Å
307P80Confident68.3Low12 Ų1293.7 Ų93.78%0.07848%0.479CS..  trans-69.2141.7-173.426.5-34.1000111.1Y216 A220 H223 Y305 V309Y216-P307 WeakPolarHBondContact CE2-O 3.4Å; Y216-P307 WeakPolarHBondContact OH-CD 3.33Å; Y216-P307 PolarHBondContact OH-O 3.31Å; A220-P307 HydrophobicContact CB-CG 4.23Å; H223-P307 HydrophobicContact CB-CG 4.45Å; H223-P307 VanDerWaalsContact CE1-CB 3.42Å; H223-P307 WeakPolarHBondContact CE1-CB 3.24Å; H223-P307 WeakPolarHBondContact ND1-CB 3.47Å; Y305-P307 HydrophobicContact CD1-CB 4.43Å; Y305-P307 HydrophobicContact CE1-CB 3.8Å; Y305-P307 WeakPolarHBondContact O-CD 3.49Å; P307-V309 HydrophobicContact CB-CG2 4.09Å; P307-V309 HydrophobicContact CG-CG2 3.89Å; P307-V309 WeakPolarHBondContact O-CG2 3.37Å; P307-V309 PolarHBondContact O-N 3.45Å
308V84.6Confident71.6Confident65 Ų6592.7 Ų92.739%0.39446%0.458SS..  trans-68.8118157.6-179.40000107.4L133 I313L133-V308 HydrophobicContact CD2-CG2 4.2Å; L133-V308 CarbonylContact O-C 3.58Å; L133-V308 WeakPolarHBondContact O-CA 3.34Å; V308-I313 HydrophobicContact CB-CD1 4.44Å; V308-I313 HydrophobicContact CG1-CD1 4.23Å
309V85.6Confident74.8Confident1 Ų189.5 Ų89.51%0.00644%0.442CS..  trans-114.685.6-179-163.70000110.1L133 Y216 L219 A220 H223 P307 L314L133-V309 CarbonylContact O-C 3.59Å; L133-V309 PolarHBondContact O-N 2.84Å; Y216-V309 HydrophobicContact CE2-CB 4.44Å; Y216-V309 HydrophobicContact CE2-CG2 3.87Å; L219-V309 HydrophobicContact CB-CB 4.19Å; L219-V309 HydrophobicContact CB-CG1 3.63Å; L219-V309 HydrophobicContact CD2-CG1 4.08Å; L219-V309 HydrophobicContact CG-CG1 4.05Å; A220-V309 HydrophobicContact CB-CG2 4.22Å; H223-V309 HydrophobicContact CB-CG1 4.44Å; H223-V309 HydrophobicContact CB-CG2 4.14Å; P307-V309 HydrophobicContact CB-CG2 4.09Å; P307-V309 HydrophobicContact CG-CG2 3.89Å; P307-V309 WeakPolarHBondContact O-CG2 3.37Å; P307-V309 PolarHBondContact O-N 3.45Å; V309-L314 HydrophobicContact CG1-CD1 3.45Å; V309-L314 VanDerWaalsContact CG1-CD1 3.45Å; V309-L314 HydrophobicContact CG1-CD2 3.87Å; V309-L314 HydrophobicContact CG1-CG 3.55Å
310N85.1Confident77.7Confident43 Ų4383.1 Ų83.123%0.2341%0.407CS..  trans-98163.816771.217.4000110.6E312 I313 L314N310-E312 PolarHBondContact O-N 2.99Å; N310-E312 PolarHBondContact OD1-N 2.88Å; N310-I313 PolarHBondContact O-N 3.24Å; N310-I313 WeakPolarHBondContact OD1-CA 3.34Å; N310-I313 WeakPolarHBondContact OD1-CB 3.18Å; N310-I313 VanDerWaalsContact OD1-CD1 3.25Å; N310-I313 WeakPolarHBondContact OD1-CD1 3.35Å; N310-I313 WeakPolarHBondContact OD1-CG1 3.49Å; N310-I313 PolarHBondContact OD1-N 2.89Å; N310-L314 PolarHBondContact O-N 2.69Å
311K85.3Confident80.4Confident171 Ų17180.5 Ų80.574%0.74339%0.386SS*.Hα-helixtrans-60.4-32.5-178.8-174.3177.9178.5-178.70112.7R315K311-R315 VanDerWaalsContact O-CB 3.32Å; K311-R315 WeakPolarHBondContact O-CB 3.33Å; K311-R315 PolarHBondContact O-N 3.27Å; K311-R315 VanDerWaalsContact O-N 3.09Å
312E89.4Confident83.1Confident154 Ų15479 Ų7972%0.7238%0.378SS*.Hα-helixtrans-74.1-43.5-177.9-62-172.9166.200112.5N310 R315 W316N310-E312 PolarHBondContact O-N 2.99Å; N310-E312 PolarHBondContact OD1-N 2.88Å; E312-R315 WeakPolarHBondContact O-CB 3.36Å; E312-R315 PolarHBondContact O-N 3.26Å; E312-W316 VanDerWaalsContact O-CB 3.27Å; E312-W316 WeakPolarHBondContact O-CB 3.36Å; E312-W316 PolarHBondContact O-N 3.02Å
313I89.2Confident85.7Confident52 Ų5277.7 Ų77.727%0.26737%0.367SS..Hα-helixtrans-62.7-47.7176.4-70163.2000109.4V308 N310 R315 W316 L317V308-I313 HydrophobicContact CB-CD1 4.44Å; V308-I313 HydrophobicContact CG1-CD1 4.23Å; N310-I313 PolarHBondContact O-N 3.24Å; N310-I313 WeakPolarHBondContact OD1-CA 3.34Å; N310-I313 WeakPolarHBondContact OD1-CB 3.18Å; N310-I313 VanDerWaalsContact OD1-CD1 3.25Å; N310-I313 WeakPolarHBondContact OD1-CD1 3.35Å; N310-I313 WeakPolarHBondContact OD1-CG1 3.49Å; N310-I313 PolarHBondContact OD1-N 2.89Å; I313-R315 VanDerWaalsContact C-N 3.31Å; I313-R315 PolarHBondContact O-N 2.84Å; I313-W316 PolarHBondContact O-N 3.33Å; I313-L317 HydrophobicContact CG2-CD1 4.02Å; I313-L317 HydrophobicContact CG2-CG 4.41Å; I313-L317 WeakPolarHBondContact O-CB 3.3Å; I313-L317 WeakPolarHBondContact O-CG 3.49Å; I313-L317 PolarHBondContact O-N 2.76Å
314L90.8Very high88.1Confident16 Ų1671.5 Ų71.58%0.08433%0.334CS..Hα-helixtrans-60.9-41.3176.7-75.8179.1000112.2L219 Q222 H223 L226 V309 N310 T318L219-L314 HydrophobicContact CD2-CD1 4.38Å; L219-L314 HydrophobicContact CG-CD1 4Å; Q222-L314 HydrophobicContact CB-CD2 4.5Å; Q222-L314 HydrophobicContact CG-CD2 4.29Å; H223-L314 HydrophobicContact CB-CD2 3.82Å; L226-L314 HydrophobicContact CD1-CD2 4.2Å; V309-L314 HydrophobicContact CG1-CD1 3.45Å; V309-L314 VanDerWaalsContact CG1-CD1 3.45Å; V309-L314 HydrophobicContact CG1-CD2 3.87Å; V309-L314 HydrophobicContact CG1-CG 3.55Å; N310-L314 PolarHBondContact O-N 2.69Å; L314-T318 WeakPolarHBondContact O-CB 3.34Å; L314-T318 PolarHBondContact O-N 2.8Å; L314-T318 PolarHBondContact O-OG1 3.01Å
315R93.7Very high90.1Very high151 Ų15168.8 Ų68.857%0.5732%0.317SS*.Hα-helixtrans-61.6-49.5175.3-176.863.760.5142.43.7110.6K311 E312 I313 L317 T318 D319K311-R315 VanDerWaalsContact O-CB 3.32Å; K311-R315 WeakPolarHBondContact O-CB 3.33Å; K311-R315 PolarHBondContact O-N 3.27Å; K311-R315 VanDerWaalsContact O-N 3.09Å; E312-R315 WeakPolarHBondContact O-CB 3.36Å; E312-R315 PolarHBondContact O-N 3.26Å; I313-R315 VanDerWaalsContact C-N 3.31Å; I313-R315 PolarHBondContact O-N 2.84Å; R315-L317 PolarHBondContact O-N 3.47Å; R315-T318 WeakPolarHBondContact O-CB 3.37Å; R315-T318 PolarHBondContact O-N 3.37Å; R315-T318 VanDerWaalsContact O-N 3.17Å; R315-D319 WeakPolarHBondContact O-CB 3.47Å; R315-D319 VanDerWaalsContact O-CG 3.27Å; R315-D319 PolarHBondContact O-N 3.31Å
316W94.5Very high91.5Very high72 Ų7269.4 Ų69.427%0.27332%0.322SS..Hα-helixtrans-60.9-43.7-179.6-179.289.8000112K245 E246 I249 E312 I313 D319 W320K245-W316 HydrophobicContact CB-CH2 4.42Å; K245-W316 HydrophobicContact CB-CZ2 4.21Å; E246-W316 HydrophobicContact CG-CH2 3.9Å; E246-W316 HydrophobicContact CG-CZ2 3.79Å; I249-W316 HydrophobicContact CD1-CE3 4.34Å; I249-W316 HydrophobicContact CD1-CH2 3.68Å; I249-W316 HydrophobicContact CD1-CZ3 3.29Å; E312-W316 VanDerWaalsContact O-CB 3.27Å; E312-W316 WeakPolarHBondContact O-CB 3.36Å; E312-W316 PolarHBondContact O-N 3.02Å; I313-W316 PolarHBondContact O-N 3.33Å; W316-D319 PolarHBondContact O-N 3.42Å; W316-W320 HydrophobicContact CE3-CE3 4.36Å; W316-W320 AromaticContact CH2-CD2 3.91Å; W316-W320 HydrophobicContact CH2-CD2 3.91Å; W316-W320 AromaticContact CH2-CE3 3.31Å; W316-W320 HydrophobicContact CH2-CE3 3.31Å; W316-W320 AromaticContact CH2-CZ3 3.66Å; W316-W320 HydrophobicContact CH2-CZ3 3.66Å; W316-W320 HydrophobicContact CZ2-CE3 4.29Å; W316-W320 HydrophobicContact CZ3-CD2 4.25Å; W316-W320 AromaticContact CZ3-CE3 3.36Å; W316-W320 HydrophobicContact CZ3-CE3 3.36Å; W316-W320 AromaticContact CZ3-CZ3 3.81Å; W316-W320 HydrophobicContact CZ3-CZ3 3.81Å; W316-W320 VanDerWaalsContact O-CB 3.3Å; W316-W320 WeakPolarHBondContact O-CB 3.43Å; W316-W320 PolarHBondContact O-N 2.96Å
317L94Very high92.3Very high0 Ų068.7 Ų68.70%032%0.318CS..Hα-helixtrans-62.6-42.6174.1-75.7172.4000111.8H223 L226 R227 I230 I249 I313 R315 W320 R321H223-L317 WeakPolarHBondContact CD2-CD1 3.22Å; H223-L317 WeakPolarHBondContact NE2-CD1 3.45Å; L226-L317 HydrophobicContact CB-CB 4.22Å; L226-L317 HydrophobicContact CD1-CB 3.88Å; R227-L317 HydrophobicContact CG-CD1 4.4Å; R227-L317 HydrophobicContact CG-CD2 4.3Å; I230-L317 HydrophobicContact CD1-CB 4.31Å; I230-L317 HydrophobicContact CD1-CD2 3.67Å; I249-L317 HydrophobicContact CD1-CD2 4.26Å; I313-L317 HydrophobicContact CG2-CD1 4.02Å; I313-L317 HydrophobicContact CG2-CG 4.41Å; I313-L317 WeakPolarHBondContact O-CB 3.3Å; I313-L317 WeakPolarHBondContact O-CG 3.49Å; I313-L317 PolarHBondContact O-N 2.76Å; R315-L317 PolarHBondContact O-N 3.47Å; L317-W320 HydrophobicContact CD2-CE3 4.22Å; L317-W320 PolarHBondContact O-N 2.9Å; L317-R321 WeakPolarHBondContact O-CB 3.28Å; L317-R321 PolarHBondContact O-N 3.43Å
318T95.9Very high93.1Very high55 Ų5571.5 Ų71.534%0.33733%0.329SS..Hα-helixtrans-61.8-45.7177.5-58.70000111L314 R315 R321 L322L314-T318 WeakPolarHBondContact O-CB 3.34Å; L314-T318 PolarHBondContact O-N 2.8Å; L314-T318 PolarHBondContact O-OG1 3.01Å; R315-T318 WeakPolarHBondContact O-CB 3.37Å; R315-T318 PolarHBondContact O-N 3.37Å; R315-T318 VanDerWaalsContact O-N 3.17Å; T318-R321 PolarHBondContact O-N 3.31Å; T318-L322 PolarHBondContact O-N 3.26Å
319D97.5Very high93.7Very high77 Ų7771.3 Ų71.341%0.41234%0.335SS..Hα-helixtrans-67.2-40.9179.1-68-17.2000111R315 W316 L322 R323R315-D319 WeakPolarHBondContact O-CB 3.47Å; R315-D319 VanDerWaalsContact O-CG 3.27Å; R315-D319 PolarHBondContact O-N 3.31Å; W316-D319 PolarHBondContact O-N 3.42Å; D319-L322 WeakPolarHBondContact O-CB 3.45Å; D319-L322 PolarHBondContact O-N 3.15Å; D319-R323 WeakPolarHBondContact O-CG 3.36Å; D319-R323 PolarHBondContact O-N 3.47Å
320W96.6Very high94.2Very high0 Ų076.7 Ų76.70%036%0.355CS..Hα-helixtrans-64.4-45.9176.2-176.827.5000111.9I230 Y239 E246 I249 L250 W316 L317 L322 R323 L324I230-W320 HydrophobicContact CD1-CD2 4.3Å; I230-W320 HydrophobicContact CD1-CE3 3.75Å; I230-W320 HydrophobicContact CD1-CZ3 4.29Å; I230-W320 HydrophobicContact CG1-CE3 4.5Å; I230-W320 HydrophobicContact CG2-CD2 4.22Å; I230-W320 HydrophobicContact CG2-CE3 3.95Å; I230-W320 HydrophobicContact CG2-CH2 3.71Å; I230-W320 HydrophobicContact CG2-CZ2 3.98Å; I230-W320 HydrophobicContact CG2-CZ3 3.7Å; Y239-W320 HydrophobicContact CE1-CZ2 4.1Å; Y239-W320 AromaticContact CE1-NE1 3.75Å; Y239-W320 AromaticContact CZ-NE1 3.95Å; E246-W320 HydrophobicContact CB-CH2 3.87Å; E246-W320 HydrophobicContact CB-CZ2 3.6Å; E246-W320 HydrophobicContact CG-CD2 4.15Å; E246-W320 HydrophobicContact CG-CH2 4.11Å; E246-W320 HydrophobicContact CG-CZ2 3.67Å; E246-W320 PolarHBondContact OE1-NE1 3.49Å; I249-W320 HydrophobicContact CB-CH2 4.3Å; I249-W320 HydrophobicContact CB-CZ3 4.03Å; I249-W320 HydrophobicContact CD1-CZ3 4.04Å; I249-W320 HydrophobicContact CG2-CH2 4.29Å; I249-W320 HydrophobicContact CG2-CZ3 3.85Å; L250-W320 HydrophobicContact CD2-CH2 4.24Å; L250-W320 HydrophobicContact CG-CH2 4.07Å; L250-W320 HydrophobicContact CG-CZ2 4.37Å; W316-W320 HydrophobicContact CE3-CE3 4.36Å; W316-W320 AromaticContact CH2-CD2 3.91Å; W316-W320 HydrophobicContact CH2-CD2 3.91Å; W316-W320 AromaticContact CH2-CE3 3.31Å; W316-W320 HydrophobicContact CH2-CE3 3.31Å; W316-W320 AromaticContact CH2-CZ3 3.66Å; W316-W320 HydrophobicContact CH2-CZ3 3.66Å; W316-W320 HydrophobicContact CZ2-CE3 4.29Å; W316-W320 HydrophobicContact CZ3-CD2 4.25Å; W316-W320 AromaticContact CZ3-CE3 3.36Å; W316-W320 HydrophobicContact CZ3-CE3 3.36Å; W316-W320 AromaticContact CZ3-CZ3 3.81Å; W316-W320 HydrophobicContact CZ3-CZ3 3.81Å; W316-W320 VanDerWaalsContact O-CB 3.3Å; W316-W320 WeakPolarHBondContact O-CB 3.43Å; W316-W320 PolarHBondContact O-N 2.96Å; L317-W320 HydrophobicContact CD2-CE3 4.22Å; L317-W320 PolarHBondContact O-N 2.9Å; W320-L322 VanDerWaalsContact C-N 3.27Å; W320-L322 PolarHBondContact O-N 3.17Å; W320-R323 WeakPolarHBondContact O-CB 3.42Å; W320-R323 PolarHBondContact O-N 3.44Å; W320-R323 VanDerWaalsContact O-N 3.09Å; W320-L324 HydrophobicContact CZ2-CD1 4.45Å; W320-L324 WeakPolarHBondContact O-CG 3.28Å; W320-L324 PolarHBondContact O-N 3.11Å
321R96.6Very high94.7Very high97 Ų9774.9 Ų74.937%0.36635%0.345SS..Hα-helixtrans-53-46.4171.6178.7-178.4176.2-95.24111.1D229 I230 L317 T318 R323 L324 V325D229-R321 IonicContact OD2-CZ 2.69Å; D229-R321 VanDerWaalsContact OD2-CZ 3.31Å; D229-R321 IonicContact OD2-NE 2.91Å; D229-R321 PolarHBondContact OD2-NE 3.03Å; D229-R321 IonicContact OD2-NH2 2.76Å; D229-R321 PolarHBondContact OD2-NH2 3.15Å; I230-R321 HydrophobicContact CD1-CB 4.21Å; I230-R321 HydrophobicContact CG1-CB 3.81Å; I230-R321 HydrophobicContact CG1-CG 4.42Å; L317-R321 WeakPolarHBondContact O-CB 3.28Å; L317-R321 PolarHBondContact O-N 3.43Å; T318-R321 PolarHBondContact O-N 3.31Å; R321-R323 PolarHBondContact O-N 2.89Å; R321-L324 PolarHBondContact O-N 2.93Å; R321-V325 WeakPolarHBondContact O-CG2 3.39Å; R321-V325 PolarHBondContact O-N 3.37Å
322L97.5Very high95.2Very high86 Ų8668.1 Ų68.145%0.4532%0.318SS..Hα-helixtrans-62.8-41.9178179.761.7000112.1T318 D319 W320 V325 K326T318-L322 PolarHBondContact O-N 3.26Å; D319-L322 WeakPolarHBondContact O-CB 3.45Å; D319-L322 PolarHBondContact O-N 3.15Å; W320-L322 VanDerWaalsContact C-N 3.27Å; W320-L322 PolarHBondContact O-N 3.17Å; L322-V325 PolarHBondContact O-N 2.77Å; L322-K326 HydrophobicContact CD1-CG 4.45Å; L322-K326 HydrophobicContact CG-CD 4.43Å; L322-K326 WeakPolarHBondContact O-CG 3.34Å; L322-K326 PolarHBondContact O-N 3.33Å
323R96.9Very high95.5Very high123 Ų12362 Ų6246%0.46430%0.296SS..Hα-helixtrans-59-46.6174.5-71.4-166-59.1-132.37.1111.4E246 D319 W320 R321 V325 K326 E327E246-R323 IonicContact OE1-NH2 2.89Å; E246-R323 PolarHBondContact OE1-NH2 3.36Å; D319-R323 WeakPolarHBondContact O-CG 3.36Å; D319-R323 PolarHBondContact O-N 3.47Å; W320-R323 WeakPolarHBondContact O-CB 3.42Å; W320-R323 PolarHBondContact O-N 3.44Å; W320-R323 VanDerWaalsContact O-N 3.09Å; R321-R323 PolarHBondContact O-N 2.89Å; R323-V325 PolarHBondContact O-N 2.71Å; R323-K326 PolarHBondContact O-N 3.49Å; R323-E327 WeakPolarHBondContact O-CB 3.44Å; R323-E327 PolarHBondContact O-N 2.97Å
324L96.7Very high95.8Very high1 Ų161.4 Ų61.41%0.00530%0.295CS..Hα-helixtrans-63.3-41.8179.1-69.1179.6000112.5I230 V233 A234 Y239 W320 R321 E327 K328I230-L324 HydrophobicContact CB-CD1 4.3Å; I230-L324 HydrophobicContact CG1-CD1 4.33Å; I230-L324 HydrophobicContact CG2-CD1 3.74Å; V233-L324 HydrophobicContact CB-CB 4.49Å; V233-L324 HydrophobicContact CG1-CB 3.82Å; A234-L324 HydrophobicContact CB-CD1 4.47Å; Y239-L324 HydrophobicContact CD1-CD2 3.69Å; Y239-L324 HydrophobicContact CD2-CD2 3.26Å; Y239-L324 HydrophobicContact CE1-CD2 3.83Å; Y239-L324 HydrophobicContact CE2-CD2 3.42Å; Y239-L324 VanDerWaalsContact CE2-CD2 3.42Å; Y239-L324 HydrophobicContact CG-CD2 3.39Å; W320-L324 HydrophobicContact CZ2-CD1 4.45Å; W320-L324 WeakPolarHBondContact O-CG 3.28Å; W320-L324 PolarHBondContact O-N 3.11Å; R321-L324 PolarHBondContact O-N 2.93Å; L324-E327 PolarHBondContact O-N 3.05Å; L324-K328 WeakPolarHBondContact O-CB 3.49Å; L324-K328 PolarHBondContact O-N 3.45Å
325V97.7Very high96.1Very high64 Ų6460.6 Ų60.639%0.38829%0.291SS..Hα-helixtrans-64.1-41.9176.8170.20000111.4V233 R321 L322 R323 E327 K328 A329V233-V325 HydrophobicContact CG2-CG2 4.44Å; R321-V325 WeakPolarHBondContact O-CG2 3.39Å; R321-V325 PolarHBondContact O-N 3.37Å; L322-V325 PolarHBondContact O-N 2.77Å; R323-V325 PolarHBondContact O-N 2.71Å; V325-E327 VanDerWaalsContact C-N 3.34Å; V325-K328 PolarHBondContact O-N 2.93Å; V325-A329 WeakPolarHBondContact O-CB 3.45Å; V325-A329 PolarHBondContact O-N 2.89Å
326K97Very high96.3Very high135 Ų13558.2 Ų58.259%0.58729%0.287SS*.Hα-helixtrans-62.9-42175.1-74.9178.4176.9-178.50111.6L322 R323 A329 R330L322-K326 HydrophobicContact CD1-CG 4.45Å; L322-K326 HydrophobicContact CG-CD 4.43Å; L322-K326 WeakPolarHBondContact O-CG 3.34Å; L322-K326 PolarHBondContact O-N 3.33Å; R323-K326 PolarHBondContact O-N 3.49Å; K326-A329 PolarHBondContact O-N 3.46Å; K326-R330 WeakPolarHBondContact O-CB 3.45Å; K326-R330 PolarHBondContact O-N 3.4Å
327E94.5Very high96.4Very high67 Ų6761.3 Ų61.331%0.31330%0.304SS..Hα-helixtrans-66.7-41.8178.1-176.360.3-175.300111.7I237 R323 L324 V325 A329 R330 L331I237-E327 HydrophobicContact CD1-CB 4.5Å; I237-E327 HydrophobicContact CD1-CG 4.36Å; R323-E327 WeakPolarHBondContact O-CB 3.44Å; R323-E327 PolarHBondContact O-N 2.97Å; L324-E327 PolarHBondContact O-N 3.05Å; V325-E327 VanDerWaalsContact C-N 3.34Å; E327-A329 VanDerWaalsContact C-N 3.35Å; E327-A329 PolarHBondContact O-N 2.88Å; E327-R330 WeakPolarHBondContact O-CB 3.27Å; E327-R330 PolarHBondContact O-N 2.9Å; E327-R330 IonicContact OE1-CZ 2.74Å; E327-R330 IonicContact OE1-NE 2.69Å; E327-R330 PolarHBondContact OE1-NE 3.26Å; E327-R330 IonicContact OE1-NH2 3.54Å; E327-R330 PolarHBondContact OE1-NH2 3.02Å; E327-R330 IonicContact OE2-CZ 3.44Å; E327-R330 IonicContact OE2-NE 3.11Å; E327-R330 PolarHBondContact OE2-NE 3.32Å; E327-R330 IonicContact OE2-NH2 3.56Å; E327-L331 HydrophobicContact CG-CD1 4.29Å; E327-L331 WeakPolarHBondContact O-CG 3.39Å; E327-L331 PolarHBondContact O-N 3.31Å
328K95.6Very high96.5Very high71 Ų7162.6 Ų62.631%0.30931%0.311SS..Hα-helixtrans-56.3-48.6170.5176.5172.1170.9169.80111.5V233 D236 I237 L324 V325 R330 L331 V332V233-K328 HydrophobicContact CG1-CB 4.27Å; V233-K328 HydrophobicContact CG1-CD 4.25Å; D236-K328 WeakPolarHBondContact OD2-CE 3.44Å; D236-K328 IonicContact OD2-NZ 3.42Å; D236-K328 PolarHBondContact OD2-NZ 2.87Å; I237-K328 HydrophobicContact CD1-CB 4.34Å; I237-K328 HydrophobicContact CG2-CB 3.68Å; I237-K328 HydrophobicContact CG2-CD 4.08Å; I237-K328 HydrophobicContact CG2-CG 3.69Å; L324-K328 WeakPolarHBondContact O-CB 3.49Å; L324-K328 PolarHBondContact O-N 3.45Å; V325-K328 PolarHBondContact O-N 2.93Å; K328-R330 VanDerWaalsContact C-N 3.32Å; K328-R330 PolarHBondContact O-N 3.03Å; K328-L331 PolarHBondContact O-N 3.4Å; K328-V332 HydrophobicContact CG-CG2 4.24Å; K328-V332 WeakPolarHBondContact O-CB 3.18Å; K328-V332 WeakPolarHBondContact O-CG2 3.49Å; K328-V332 PolarHBondContact O-N 3.01Å
329A96.6Very high96.6Very high62 Ų6261.7 Ų61.751%0.51230%0.301SS..Hα-helixtrans-61.4-40.9179.100000112V325 K326 E327 G333V325-A329 WeakPolarHBondContact O-CB 3.45Å; V325-A329 PolarHBondContact O-N 2.89Å; K326-A329 PolarHBondContact O-N 3.46Å; E327-A329 VanDerWaalsContact C-N 3.35Å; E327-A329 PolarHBondContact O-N 2.88Å; A329-G333 PolarHBondContact O-N 3.02Å
330R96.2Very high96.4Very high113 Ų11360.9 Ų60.943%0.42631%0.305SS..Hα-helixtrans-60.4-49.9174.3-170.4-164.56871.3-2.1111.1K326 E327 K328 G333 T334K326-R330 WeakPolarHBondContact O-CB 3.45Å; K326-R330 PolarHBondContact O-N 3.4Å; E327-R330 WeakPolarHBondContact O-CB 3.27Å; E327-R330 PolarHBondContact O-N 2.9Å; E327-R330 IonicContact OE1-CZ 2.74Å; E327-R330 IonicContact OE1-NE 2.69Å; E327-R330 PolarHBondContact OE1-NE 3.26Å; E327-R330 IonicContact OE1-NH2 3.54Å; E327-R330 PolarHBondContact OE1-NH2 3.02Å; E327-R330 IonicContact OE2-CZ 3.44Å; E327-R330 IonicContact OE2-NE 3.11Å; E327-R330 PolarHBondContact OE2-NE 3.32Å; E327-R330 IonicContact OE2-NH2 3.56Å; K328-R330 VanDerWaalsContact C-N 3.32Å; K328-R330 PolarHBondContact O-N 3.03Å; R330-G333 PolarHBondContact O-N 3.11Å; R330-T334 WeakPolarHBondContact O-CG2 3.48Å; R330-T334 PolarHBondContact O-N 3.42Å; R330-T334 PolarHBondContact O-OG1 3.08Å; R330-T334 VanDerWaalsContact O-OG1 3.04Å
331L95.5Very high96.4Very high5 Ų564.5 Ų64.53%0.02632%0.319CS..Hα-helixtrans-59.9-47.1179-73.9170.2000111.6I237 E327 K328 T334 C335 L371I237-L331 HydrophobicContact CB-CD1 3.98Å; I237-L331 HydrophobicContact CD1-CD1 4.5Å; I237-L331 HydrophobicContact CG2-CD1 4.37Å; E327-L331 HydrophobicContact CG-CD1 4.29Å; E327-L331 WeakPolarHBondContact O-CG 3.39Å; E327-L331 PolarHBondContact O-N 3.31Å; K328-L331 PolarHBondContact O-N 3.4Å; L331-T334 WeakPolarHBondContact CA-OG1 3.45Å; L331-T334 PolarHBondContact O-N 3.5Å; L331-T334 PolarHBondContact O-OG1 3.43Å; L331-C335 WeakPolarHBondContact O-CB 3.32Å; L331-C335 PolarHBondContact O-N 2.92Å; L331-C335 PolarHBondContact O-SG 2.77Å; L331-L371 HydrophobicContact CD2-CD2 3.76Å
332V96.5Very high96.3Very high29 Ų2959.9 Ų59.918%0.17630%0.302CS..Hα-helixtrans-56.5-53.6176.6171.90000110.7K328 T334 C335 E336 Y366K328-V332 HydrophobicContact CG-CG2 4.24Å; K328-V332 WeakPolarHBondContact O-CB 3.18Å; K328-V332 WeakPolarHBondContact O-CG2 3.49Å; K328-V332 PolarHBondContact O-N 3.01Å; V332-T334 PolarHBondContact O-N 3.29Å; V332-C335 PolarHBondContact O-N 3.32Å; V332-E336 HydrophobicContact CG1-CG 4.37Å; V332-E336 WeakPolarHBondContact O-CB 3.25Å; V332-E336 WeakPolarHBondContact O-CG 2.98Å; V332-E336 PolarHBondContact O-N 2.92Å; V332-Y366 HydrophobicContact CB-CD1 4.18Å; V332-Y366 HydrophobicContact CB-CE1 4.13Å; V332-Y366 HydrophobicContact CG1-CE1 4.02Å; V332-Y366 HydrophobicContact CG2-CD1 3.83Å; V332-Y366 HydrophobicContact CG2-CD2 3.75Å; V332-Y366 HydrophobicContact CG2-CE1 3.96Å; V332-Y366 HydrophobicContact CG2-CE2 3.88Å; V332-Y366 HydrophobicContact CG2-CG 3.71Å
333G96.2Very high96.2Very high25 Ų2558.7 Ų58.726%0.25830%0.296SS..Hα-helixtrans-56.6-51.3178.800000112.4A329 R330 C335 E336 E337A329-G333 PolarHBondContact O-N 3.02Å; R330-G333 PolarHBondContact O-N 3.11Å; G333-C335 PolarHBondContact O-N 3.39Å; G333-E336 PolarHBondContact O-N 3.09Å; G333-E337 WeakPolarHBondContact O-CB 3.1Å; G333-E337 VanDerWaalsContact O-CG 3.28Å; G333-E337 WeakPolarHBondContact O-CG 3.34Å; G333-E337 PolarHBondContact O-N 2.91Å
334T96.1Very high95.9Very high40 Ų4056 Ų5625%0.24529%0.289CS..Hα-helixtrans-62.3-40.4179.854.80000113.1R330 L331 V332 L338R330-T334 WeakPolarHBondContact O-CG2 3.48Å; R330-T334 PolarHBondContact O-N 3.42Å; R330-T334 PolarHBondContact O-OG1 3.08Å; R330-T334 VanDerWaalsContact O-OG1 3.04Å; L331-T334 WeakPolarHBondContact CA-OG1 3.45Å; L331-T334 PolarHBondContact O-N 3.5Å; L331-T334 PolarHBondContact O-OG1 3.43Å; V332-T334 PolarHBondContact O-N 3.29Å; T334-L338 WeakPolarHBondContact O-CB 3.07Å; T334-L338 VanDerWaalsContact O-CG 3.23Å; T334-L338 WeakPolarHBondContact O-CG 3.33Å; T334-L338 PolarHBondContact O-N 3.43Å
335C96.7Very high95.7Very high0 Ų056 Ų560%029%0.289CS..Hα-helixtrans-69.9-39.8179.4-67.30000111.8L331 V332 G333 R339 Y366 L374L331-C335 WeakPolarHBondContact O-CB 3.32Å; L331-C335 PolarHBondContact O-N 2.92Å; L331-C335 PolarHBondContact O-SG 2.77Å; V332-C335 PolarHBondContact O-N 3.32Å; G333-C335 PolarHBondContact O-N 3.39Å; C335-R339 WeakPolarHBondContact O-CB 3.39Å; C335-R339 VanDerWaalsContact O-CG 3.23Å; C335-R339 WeakPolarHBondContact O-CG 3.34Å; C335-R339 PolarHBondContact O-N 2.71Å; C335-Y366 HydrophobicContact CB-CD1 3.8Å; C335-Y366 HydrophobicContact CB-CE1 4.18Å; C335-L374 HydrophobicContact CB-CD1 3.9Å
336E96.9Very high95.5Very high101 Ų10153 Ų5347%0.47227%0.27SS..Hα-helixtrans-65.6-41.3176.8-72.4178.5171.100111.5V332 G333 R339 A340 Y366V332-E336 HydrophobicContact CG1-CG 4.37Å; V332-E336 WeakPolarHBondContact O-CB 3.25Å; V332-E336 WeakPolarHBondContact O-CG 2.98Å; V332-E336 PolarHBondContact O-N 2.92Å; G333-E336 PolarHBondContact O-N 3.09Å; E336-R339 PolarHBondContact O-N 2.92Å; E336-A340 WeakPolarHBondContact O-CB 3.29Å; E336-A340 PolarHBondContact O-N 2.98Å; E336-Y366 HydrophobicContact CG-CE1 4.39Å; E336-Y366 PolarHBondContact OE1-OH 3.43Å
337E96.7Very high95.2Very high136 Ų13653.8 Ų53.864%0.63627%0.274SS*.Hα-helixtrans-60.9-49173.5-74.3170.6-173.100111.8G333 R339 A340 Y341G333-E337 WeakPolarHBondContact O-CB 3.1Å; G333-E337 VanDerWaalsContact O-CG 3.28Å; G333-E337 WeakPolarHBondContact O-CG 3.34Å; G333-E337 PolarHBondContact O-N 2.91Å; E337-R339 PolarHBondContact O-N 2.63Å; E337-A340 PolarHBondContact O-N 2.77Å; E337-Y341 WeakPolarHBondContact O-CB 3.48Å; E337-Y341 PolarHBondContact O-N 3.48Å
338L97.2Very high94.9Very high28 Ų2851.2 Ų51.215%0.14726%0.261CS..Hα-helixtrans-62.5-41.1177.4-70.4171.2000111.9T334 Y341 L342 L371 L374 V378T334-L338 WeakPolarHBondContact O-CB 3.07Å; T334-L338 VanDerWaalsContact O-CG 3.23Å; T334-L338 WeakPolarHBondContact O-CG 3.33Å; T334-L338 PolarHBondContact O-N 3.43Å; L338-Y341 PolarHBondContact O-N 2.96Å; L338-L342 WeakPolarHBondContact O-CB 3.34Å; L338-L342 WeakPolarHBondContact O-CG 3.43Å; L338-L342 PolarHBondContact O-N 3.5Å; L338-L371 HydrophobicContact CD1-CD1 3.61Å; L338-L374 HydrophobicContact CB-CB 4.29Å; L338-L374 HydrophobicContact CD1-CB 4.09Å; L338-V378 HydrophobicContact CD2-CG2 3.95Å
339R96.4Very high94.6Very high36 Ų3649.1 Ų49.114%0.13625%0.253CS..Hα-helixtrans-63.1-42.3175.5-76.4179.2-176.41171.9111.9C335 E336 E337 L342 L343 L360 H363 G365 L374C335-R339 WeakPolarHBondContact O-CB 3.39Å; C335-R339 VanDerWaalsContact O-CG 3.23Å; C335-R339 WeakPolarHBondContact O-CG 3.34Å; C335-R339 PolarHBondContact O-N 2.71Å; E336-R339 PolarHBondContact O-N 2.92Å; E337-R339 PolarHBondContact O-N 2.63Å; R339-L342 PolarHBondContact O-N 3.1Å; R339-L343 WeakPolarHBondContact O-CB 3.39Å; R339-L343 VanDerWaalsContact O-CG 3.3Å; R339-L343 WeakPolarHBondContact O-CG 3.41Å; R339-L343 PolarHBondContact O-N 2.99Å; R339-L360 HydrophobicContact CG-CD2 4.08Å; R339-H363 PolarHBondContact NH2-O 2.81Å; R339-G365 PolarHBondContact NH1-O 3.02Å; R339-G365 PolarHBondContact NH2-O 3.41Å; R339-L374 HydrophobicContact CG-CD1 4.23Å; R339-L374 HydrophobicContact CG-CD2 3.76Å
340A95.3Very high94.2Very high60 Ų6051 Ų5150%0.49626%0.255SS..Hα-helixtrans-63.1-43.8176.600000111.3E336 E337 L343 Q344E336-A340 WeakPolarHBondContact O-CB 3.29Å; E336-A340 PolarHBondContact O-N 2.98Å; E337-A340 PolarHBondContact O-N 2.77Å; A340-L343 PolarHBondContact O-N 3.4Å; A340-Q344 PolarHBondContact O-N 2.93Å; A340-Q344 VanDerWaalsContact O-N 3.09Å
341Y95.2Very high93.9Very high75 Ų7547.6 Ų47.629%0.29424%0.243SC..Hα-helixtrans-61.6-47.3174.8179.5-94.6000112E337 L338 L343 Q344 M345 V378 Q382E337-Y341 WeakPolarHBondContact O-CB 3.48Å; E337-Y341 PolarHBondContact O-N 3.48Å; L338-Y341 PolarHBondContact O-N 2.96Å; Y341-L343 PolarHBondContact O-N 3.37Å; Y341-Q344 PolarHBondContact O-N 3.38Å; Y341-M345 HydrophobicContact CE1-CE 4.06Å; Y341-M345 HydrophobicContact CE2-CE 4.1Å; Y341-M345 WeakPolarHBondContact O-CB 3.1Å; Y341-M345 PolarHBondContact O-N 3.4Å; Y341-M345 WeakPolarHBondContact OH-CE 3.35Å; Y341-V378 HydrophobicContact CD1-CG1 4.17Å; Y341-V378 HydrophobicContact CD1-CG2 3.84Å; Y341-V378 HydrophobicContact CE1-CG1 3.79Å; Y341-V378 HydrophobicContact CE1-CG2 4.23Å; Y341-Q382 PolarHBondContact OH-NE2 2.63Å
342L96Very high93.8Very high0 Ų050.3 Ų50.30%026%0.261CS..Hα-helixtrans-59.3-45.2176.6-78.5173.8000112.2L338 R339 Q344 M345 W346 F359 L374 E377 V378L338-L342 WeakPolarHBondContact O-CB 3.34Å; L338-L342 WeakPolarHBondContact O-CG 3.43Å; L338-L342 PolarHBondContact O-N 3.5Å; R339-L342 PolarHBondContact O-N 3.1Å; L342-Q344 VanDerWaalsContact C-N 3.3Å; L342-Q344 PolarHBondContact O-N 3.35Å; L342-M345 PolarHBondContact O-N 2.86Å; L342-W346 HydrophobicContact CB-CD2 4.36Å; L342-W346 HydrophobicContact CB-CE3 4.39Å; L342-W346 HydrophobicContact CB-CH2 4.33Å; L342-W346 HydrophobicContact CB-CZ2 4.31Å; L342-W346 HydrophobicContact CB-CZ3 4.37Å; L342-W346 HydrophobicContact CD1-CH2 4.46Å; L342-W346 HydrophobicContact CD1-CZ2 4.35Å; L342-W346 HydrophobicContact CD2-CZ2 4.36Å; L342-W346 VanDerWaalsContact O-CB 3.3Å; L342-W346 WeakPolarHBondContact O-CB 3.22Å; L342-W346 VanDerWaalsContact O-CG 3.23Å; L342-W346 PolarHBondContact O-N 3.49Å; L342-F359 HydrophobicContact CD1-CE1 4.34Å; L342-L374 HydrophobicContact CD1-CD2 3.68Å; L342-E377 HydrophobicContact CD1-CB 4.27Å; L342-E377 HydrophobicContact CD1-CG 4.18Å; L342-E377 HydrophobicContact CD2-CB 4.22Å; L342-E377 HydrophobicContact CD2-CG 3.77Å; L342-V378 HydrophobicContact CD1-CG2 4.2Å; L342-V378 HydrophobicContact CD2-CB 4.36Å; L342-V378 HydrophobicContact CD2-CG2 3.57Å; L342-V378 HydrophobicContact CG-CG2 3.64Å
343L94.2Very high93.6Very high62 Ų6255.4 Ų55.433%0.32528%0.283SS..Hα-helixtrans-61.1-38.6177.2-76.5169.6000112.3R339 A340 Y341 W346 K347 L360R339-L343 WeakPolarHBondContact O-CB 3.39Å; R339-L343 VanDerWaalsContact O-CG 3.3Å; R339-L343 WeakPolarHBondContact O-CG 3.41Å; R339-L343 PolarHBondContact O-N 2.99Å; A340-L343 PolarHBondContact O-N 3.4Å; Y341-L343 PolarHBondContact O-N 3.37Å; L343-W346 HydrophobicContact CD2-CE3 4.21Å; L343-W346 HydrophobicContact CD2-CZ3 4.35Å; L343-K347 WeakPolarHBondContact O-CD 3.4Å; L343-K347 VanDerWaalsContact O-CG 3.24Å; L343-K347 WeakPolarHBondContact O-CG 3.28Å; L343-K347 PolarHBondContact O-N 2.95Å; L343-L360 HydrophobicContact CD2-CD1 4.19Å
344Q91.3Very high93.6Very high66 Ų6658.5 Ų58.531%0.30830%0.3SS..Hα-helixtrans-66.6-46.4174.1-174.5-175.960.900110.7A340 Y341 L342 K347 R348A340-Q344 PolarHBondContact O-N 2.93Å; A340-Q344 VanDerWaalsContact O-N 3.09Å; Y341-Q344 PolarHBondContact O-N 3.38Å; L342-Q344 VanDerWaalsContact C-N 3.3Å; L342-Q344 PolarHBondContact O-N 3.35Å; Q344-K347 PolarHBondContact O-N 3.17Å; Q344-R348 PolarHBondContact O-N 3.05Å
345M91.3Very high93.5Very high2 Ų261.1 Ų61.11%0.0131%0.31CS..Hα-helixtrans-66.2-42.9-177.5-166.358.972.200112.2Y341 L342 K347 R348 L349 C381 Y392Y341-M345 HydrophobicContact CE1-CE 4.06Å; Y341-M345 HydrophobicContact CE2-CE 4.1Å; Y341-M345 WeakPolarHBondContact O-CB 3.1Å; Y341-M345 PolarHBondContact O-N 3.4Å; Y341-M345 WeakPolarHBondContact OH-CE 3.35Å; L342-M345 PolarHBondContact O-N 2.86Å; M345-K347 VanDerWaalsContact C-N 3.33Å; M345-K347 PolarHBondContact O-N 3.37Å; M345-R348 CarbonylContact O-C 3.5Å; M345-R348 PolarHBondContact O-N 3.26Å; M345-L349 HydrophobicContact CG-CD1 3.86Å; M345-L349 HydrophobicContact CG-CG 4.49Å; M345-L349 WeakPolarHBondContact O-CG 3.36Å; M345-L349 PolarHBondContact O-N 3.4Å; M345-L349 HydrophobicContact SD-CD1 4.45Å; M345-C381 HydrophobicContact CG-CB 3.73Å; M345-Y392 HydrophobicContact SD-CE2 3.63Å; M345-Y392 PolarHBondContact SD-OH 3.41Å
346W94.3Very high93.3Very high1 Ų162.2 Ų62.20%0.00432%0.315CS..Hα-helixtrans-63.2-35.9176.7-72.9-23.8000113.3L342 L343 R348 L349 D350 K351 Q356 F359 L360 E377 C381L342-W346 HydrophobicContact CB-CD2 4.36Å; L342-W346 HydrophobicContact CB-CE3 4.39Å; L342-W346 HydrophobicContact CB-CH2 4.33Å; L342-W346 HydrophobicContact CB-CZ2 4.31Å; L342-W346 HydrophobicContact CB-CZ3 4.37Å; L342-W346 HydrophobicContact CD1-CH2 4.46Å; L342-W346 HydrophobicContact CD1-CZ2 4.35Å; L342-W346 HydrophobicContact CD2-CZ2 4.36Å; L342-W346 VanDerWaalsContact O-CB 3.3Å; L342-W346 WeakPolarHBondContact O-CB 3.22Å; L342-W346 VanDerWaalsContact O-CG 3.23Å; L342-W346 PolarHBondContact O-N 3.49Å; L343-W346 HydrophobicContact CD2-CE3 4.21Å; L343-W346 HydrophobicContact CD2-CZ3 4.35Å; W346-R348 VanDerWaalsContact C-N 3.27Å; W346-R348 PolarHBondContact O-N 2.93Å; W346-L349 PolarHBondContact O-N 2.87Å; W346-D350 PolarHBondContact O-N 2.96Å; W346-K351 HydrophobicContact CB-CB 3.97Å; W346-K351 VanDerWaalsContact CD1-CD 3.41Å; W346-K351 HydrophobicContact CD2-CD 4.07Å; W346-K351 HydrophobicContact CG-CB 4.06Å; W346-K351 HydrophobicContact CG-CD 3.82Å; W346-K351 PolarHBondContact O-N 3.17Å; W346-Q356 HydrophobicContact CB-CG 4.23Å; W346-Q356 HydrophobicContact CD2-CG 3.91Å; W346-Q356 HydrophobicContact CE3-CB 3.85Å; W346-Q356 HydrophobicContact CE3-CG 3.54Å; W346-Q356 HydrophobicContact CG-CG 4.25Å; W346-Q356 HydrophobicContact CZ3-CB 3.92Å; W346-Q356 HydrophobicContact CZ3-CG 4.12Å; W346-F359 HydrophobicContact CH2-CB 4.16Å; W346-F359 AromaticContact CH2-CD1 3.54Å; W346-F359 HydrophobicContact CH2-CD1 3.54Å; W346-F359 HydrophobicContact CH2-CE1 4.23Å; W346-F359 HydrophobicContact CH2-CG 4.03Å; W346-F359 HydrophobicContact CZ2-CB 4.46Å; W346-F359 AromaticContact CZ2-CD1 3.87Å; W346-F359 HydrophobicContact CZ2-CD1 3.87Å; W346-F359 HydrophobicContact CZ2-CE1 4.33Å; W346-F359 HydrophobicContact CZ2-CG 4.12Å; W346-L360 HydrophobicContact CH2-CD2 4.36Å; W346-L360 HydrophobicContact CH2-CG 4.35Å; W346-L360 HydrophobicContact CZ3-CD1 4.32Å; W346-L360 HydrophobicContact CZ3-CD2 4.28Å; W346-L360 HydrophobicContact CZ3-CG 4.11Å; W346-E377 HydrophobicContact CZ2-CG 3.73Å; W346-E377 PolarHBondContact NE1-OE1 3.45Å; W346-C381 VanDerWaalsContact CD1-SG 3.56Å; W346-C381 PolarHBondContact NE1-SG 3.38Å
347K89.6Confident93.2Very high150 Ų15063.7 Ų63.765%0.65232%0.32SS*.Hα-helixtrans-62.9-35.3172.3-75.2171.8-176177.40112L343 Q344 M345L343-K347 WeakPolarHBondContact O-CD 3.4Å; L343-K347 VanDerWaalsContact O-CG 3.24Å; L343-K347 WeakPolarHBondContact O-CG 3.28Å; L343-K347 PolarHBondContact O-N 2.95Å; Q344-K347 PolarHBondContact O-N 3.17Å; M345-K347 VanDerWaalsContact C-N 3.33Å; M345-K347 PolarHBondContact O-N 3.37Å
348R89.3Confident93.2Very high13 Ų1363.2 Ų63.25%0.04932%0.318CS..Hα-helixtrans-80-26.5177.5-67.1178.1177.6160.16.7113.1Q344 M345 W346 Y392 R395 E399 E433Q344-R348 PolarHBondContact O-N 3.05Å; M345-R348 CarbonylContact O-C 3.5Å; M345-R348 PolarHBondContact O-N 3.26Å; W346-R348 VanDerWaalsContact C-N 3.27Å; W346-R348 PolarHBondContact O-N 2.93Å; R348-Y392 HydrophobicContact CB-CD2 4.07Å; R348-Y392 HydrophobicContact CB-CE2 3.5Å; R348-Y392 WeakPolarHBondContact CD-OH 3.48Å; R348-Y392 HydrophobicContact CG-CE2 4.36Å; R348-Y392 PolarHBondContact NH1-OH 2.85Å; R348-R395 WeakPolarHBondContact O-CD 3.38Å; R348-E399 IonicContact CZ-OE2 2.77Å; R348-E399 IonicContact NE-OE2 2.71Å; R348-E399 PolarHBondContact NE-OE2 3.48Å; R348-E399 IonicContact NH2-OE1 3.63Å; R348-E399 IonicContact NH2-OE2 3.2Å; R348-E433 IonicContact NH1-OE1 2.74Å
349L90.2Very high93.1Very high27 Ų2762.6 Ų62.614%0.14131%0.314CS..THydrogen-bonded Turntrans-89.7-0.1175.9-67.9170.6000113.2M345 W346 K351 C381 M384 Y392M345-L349 HydrophobicContact CG-CD1 3.86Å; M345-L349 HydrophobicContact CG-CG 4.49Å; M345-L349 WeakPolarHBondContact O-CG 3.36Å; M345-L349 PolarHBondContact O-N 3.4Å; M345-L349 HydrophobicContact SD-CD1 4.45Å; W346-L349 PolarHBondContact O-N 2.87Å; L349-K351 PolarHBondContact O-N 2.83Å; L349-C381 HydrophobicContact CD1-CB 4Å; L349-M384 HydrophobicContact CD1-CB 4.26Å; L349-M384 HydrophobicContact CD2-CB 4.37Å; L349-Y392 HydrophobicContact CD2-CD2 3.89Å; L349-Y392 HydrophobicContact CD2-CE2 4.49Å; L349-Y392 HydrophobicContact CG-CD2 4.4Å
350D88.2Confident93Very high102 Ų10263.2 Ų63.255%0.54532%0.319SS..THydrogen-bonded Turntrans50.939.3-173.3-75.6-27.9000113.6W346 R395W346-D350 PolarHBondContact O-N 2.96Å; D350-R395 IonicContact OD2-CZ 3.33Å; D350-R395 IonicContact OD2-NE 2.61Å; D350-R395 PolarHBondContact OD2-NE 3.08Å; D350-R395 IonicContact OD2-NH2 3.79Å; D350-R395 PolarHBondContact OD2-NH2 3.38Å
351K89.1Confident93Very high41 Ų4167.6 Ų67.618%0.17833%0.33CS..  trans-65.2131.8173.8-167.7177.9-174.4-167.90109W346 L349 E353 E355 Q356 E377W346-K351 HydrophobicContact CB-CB 3.97Å; W346-K351 VanDerWaalsContact CD1-CD 3.41Å; W346-K351 HydrophobicContact CD2-CD 4.07Å; W346-K351 HydrophobicContact CG-CB 4.06Å; W346-K351 HydrophobicContact CG-CD 3.82Å; W346-K351 PolarHBondContact O-N 3.17Å; L349-K351 PolarHBondContact O-N 2.83Å; K351-E353 PolarHBondContact O-N 3.29Å; K351-E355 WeakPolarHBondContact CE-OE2 3.33Å; K351-E355 HydrophobicContact CG-CB 4.48Å; K351-Q356 HydrophobicContact CB-CG 4.39Å; K351-Q356 HydrophobicContact CD-CG 4.36Å; K351-Q356 HydrophobicContact CG-CG 4.35Å; K351-Q356 PolarHBondContact O-NE2 3.48Å; K351-E377 IonicContact NZ-OE1 3.24Å; K351-E377 PolarHBondContact NZ-OE1 2.85Å
352P93.8Very high93Very high62 Ų6270 Ų7040%0.40335%0.345SS..  trans-62.1138.6-176.724.7-34.7000112S354 E355 Q356P352-S354 PolarHBondContact O-N 2.97Å; P352-E355 HydrophobicContact CG-CB 4.1Å; P352-E355 HydrophobicContact CG-CG 3.73Å; P352-E355 VanDerWaalsContact CG-OE1 3.28Å; P352-E355 WeakPolarHBondContact CG-OE1 3.46Å; P352-E355 PolarHBondContact O-N 2.92Å; P352-E355 VanDerWaalsContact O-N 3.08Å; P352-Q356 PolarHBondContact O-N 2.95Å; P352-Q356 VanDerWaalsContact O-N 3.17Å
353E92.6Very high92.8Very high137 Ų13771.6 Ų71.664%0.6435%0.352SS*.Hα-helixtrans-56.9-27.7-178.1-66.8-174.1-17800113.5K351 Q356 K357K351-E353 PolarHBondContact O-N 3.29Å; E353-Q356 PolarHBondContact O-N 3.03Å; E353-K357 WeakPolarHBondContact O-CG 3.44Å; E353-K357 PolarHBondContact O-N 3.46Å
354S94.6Very high92.6Very high89 Ų8972.3 Ų72.362%0.62236%0.363SS*.Hα-helixtrans-63.1-49.5176.4-1670000111.4P352 Q356 K357 E358P352-S354 PolarHBondContact O-N 2.97Å; S354-Q356 VanDerWaalsContact C-N 3.32Å; S354-Q356 PolarHBondContact O-N 3.43Å; S354-K357 PolarHBondContact O-N 2.89Å; S354-E358 WeakPolarHBondContact O-CB 3.46Å; S354-E358 PolarHBondContact O-N 3.19Å
355E94.2Very high92.6Very high96 Ų9670.8 Ų70.845%0.44937%0.365SS..Hα-helixtrans-69.1-32.6178.9-67.2174.9-157.700111.7K351 P352 F359K351-E355 WeakPolarHBondContact CE-OE2 3.33Å; K351-E355 HydrophobicContact CG-CB 4.48Å; P352-E355 HydrophobicContact CG-CB 4.1Å; P352-E355 HydrophobicContact CG-CG 3.73Å; P352-E355 VanDerWaalsContact CG-OE1 3.28Å; P352-E355 WeakPolarHBondContact CG-OE1 3.46Å; P352-E355 PolarHBondContact O-N 2.92Å; P352-E355 VanDerWaalsContact O-N 3.08Å; E355-F359 VanDerWaalsContact O-CB 3.28Å; E355-F359 WeakPolarHBondContact O-CB 3.37Å; E355-F359 PolarHBondContact O-N 2.66Å
356Q94.2Very high92.6Very high22 Ų2273.6 Ų73.610%0.10338%0.375CS..Hα-helixtrans-62.2-47.2173.6-62.2-176.630.800110.9W346 K351 P352 E353 S354 F359 L360W346-Q356 HydrophobicContact CB-CG 4.23Å; W346-Q356 HydrophobicContact CD2-CG 3.91Å; W346-Q356 HydrophobicContact CE3-CB 3.85Å; W346-Q356 HydrophobicContact CE3-CG 3.54Å; W346-Q356 HydrophobicContact CG-CG 4.25Å; W346-Q356 HydrophobicContact CZ3-CB 3.92Å; W346-Q356 HydrophobicContact CZ3-CG 4.12Å; K351-Q356 HydrophobicContact CB-CG 4.39Å; K351-Q356 HydrophobicContact CD-CG 4.36Å; K351-Q356 HydrophobicContact CG-CG 4.35Å; K351-Q356 PolarHBondContact O-NE2 3.48Å; P352-Q356 PolarHBondContact O-N 2.95Å; P352-Q356 VanDerWaalsContact O-N 3.17Å; E353-Q356 PolarHBondContact O-N 3.03Å; S354-Q356 VanDerWaalsContact C-N 3.32Å; S354-Q356 PolarHBondContact O-N 3.43Å; Q356-F359 PolarHBondContact O-N 2.72Å; Q356-L360 WeakPolarHBondContact O-CB 3.3Å; Q356-L360 VanDerWaalsContact O-CG 3.26Å; Q356-L360 WeakPolarHBondContact O-CG 3.43Å; Q356-L360 PolarHBondContact O-N 3.4Å
357K94Very high92.5Very high133 Ų13376.8 Ų76.858%0.57839%0.39SS*.Hα-helixtrans-64.6-46.5179-74.5172.9-175.7168.60111.6E353 S354 F359 L360 E361E353-K357 WeakPolarHBondContact O-CG 3.44Å; E353-K357 PolarHBondContact O-N 3.46Å; S354-K357 PolarHBondContact O-N 2.89Å; K357-F359 VanDerWaalsContact C-N 3.32Å; K357-F359 PolarHBondContact O-N 3.07Å; K357-L360 PolarHBondContact O-N 2.91Å; K357-E361 WeakPolarHBondContact O-CB 3.39Å; K357-E361 PolarHBondContact O-N 3.26Å
358E96.2Very high92.6Very high126 Ų12672 Ų7259%0.58937%0.374SS*.Hα-helixtrans-57.5-46177.6-176.5177.1-178.800111.4S354 L360 E361 M362S354-E358 WeakPolarHBondContact O-CB 3.46Å; S354-E358 PolarHBondContact O-N 3.19Å; E358-L360 PolarHBondContact O-N 3.28Å; E358-E361 PolarHBondContact O-N 3.48Å; E358-M362 VanDerWaalsContact O-CB 3.24Å; E358-M362 WeakPolarHBondContact O-CB 3.5Å; E358-M362 PolarHBondContact O-N 2.79Å
359F95.6Very high92.7Very high15 Ų1577.6 Ų77.67%0.06640%0.4CS..Hα-helixtrans-63.1-44.1177.5-174.2-83.2000112.3L342 W346 E355 Q356 K357 M362 H363 L374 E377L342-F359 HydrophobicContact CD1-CE1 4.34Å; W346-F359 HydrophobicContact CH2-CB 4.16Å; W346-F359 AromaticContact CH2-CD1 3.54Å; W346-F359 HydrophobicContact CH2-CD1 3.54Å; W346-F359 HydrophobicContact CH2-CE1 4.23Å; W346-F359 HydrophobicContact CH2-CG 4.03Å; W346-F359 HydrophobicContact CZ2-CB 4.46Å; W346-F359 AromaticContact CZ2-CD1 3.87Å; W346-F359 HydrophobicContact CZ2-CD1 3.87Å; W346-F359 HydrophobicContact CZ2-CE1 4.33Å; W346-F359 HydrophobicContact CZ2-CG 4.12Å; E355-F359 VanDerWaalsContact O-CB 3.28Å; E355-F359 WeakPolarHBondContact O-CB 3.37Å; E355-F359 PolarHBondContact O-N 2.66Å; Q356-F359 PolarHBondContact O-N 2.72Å; K357-F359 VanDerWaalsContact C-N 3.32Å; K357-F359 PolarHBondContact O-N 3.07Å; F359-M362 HydrophobicContact CD2-CE 4.38Å; F359-H363 AromaticContact CD2-CD2 3.8Å; F359-H363 HydrophobicContact CE1-CB 4.46Å; F359-H363 AromaticContact CE1-CD2 3.7Å; F359-H363 AromaticContact CE2-CD2 3.46Å; F359-H363 VanDerWaalsContact CE2-CD2 3.46Å; F359-H363 WeakPolarHBondContact CE2-CD2 3.39Å; F359-H363 AromaticContact CE2-NE2 3.75Å; F359-H363 AromaticContact CZ-CD2 3.39Å; F359-H363 WeakPolarHBondContact CZ-CD2 3.31Å; F359-H363 WeakPolarHBondContact O-CB 3.46Å; F359-H363 PolarHBondContact O-CD2 3.09Å; F359-H363 PolarHBondContact O-N 3.24Å; F359-L374 HydrophobicContact CE1-CD2 4.01Å; F359-E377 HydrophobicContact CD2-CG 4.37Å; F359-E377 HydrophobicContact CE1-CB 4.07Å; F359-E377 HydrophobicContact CE1-CG 4Å; F359-E377 HydrophobicContact CE2-CB 3.78Å; F359-E377 HydrophobicContact CE2-CG 3.78Å; F359-E377 HydrophobicContact CZ-CB 3.34Å; F359-E377 HydrophobicContact CZ-CG 3.57Å
360L94.8Very high93Very high49 Ų4976.8 Ų76.826%0.25740%0.396SS..Hα-helixtrans-68.8-34179.8-69.8175.3000112.9R339 L343 W346 Q356 K357 E358 H363 S364R339-L360 HydrophobicContact CG-CD2 4.08Å; L343-L360 HydrophobicContact CD2-CD1 4.19Å; W346-L360 HydrophobicContact CH2-CD2 4.36Å; W346-L360 HydrophobicContact CH2-CG 4.35Å; W346-L360 HydrophobicContact CZ3-CD1 4.32Å; W346-L360 HydrophobicContact CZ3-CD2 4.28Å; W346-L360 HydrophobicContact CZ3-CG 4.11Å; Q356-L360 WeakPolarHBondContact O-CB 3.3Å; Q356-L360 VanDerWaalsContact O-CG 3.26Å; Q356-L360 WeakPolarHBondContact O-CG 3.43Å; Q356-L360 PolarHBondContact O-N 3.4Å; K357-L360 PolarHBondContact O-N 2.91Å; E358-L360 PolarHBondContact O-N 3.28Å; L360-H363 CarbonylContact O-C 3.48Å; L360-S364 PolarHBondContact O-N 3.31Å
361E94.6Very high93.3Very high152 Ų15273.5 Ų73.571%0.7138%0.379SS*.Hα-helixtrans-70.3-47.3175.7-175.3174.6-179.400111.1K357 E358 H363 S364K357-E361 WeakPolarHBondContact O-CB 3.39Å; K357-E361 PolarHBondContact O-N 3.26Å; E358-E361 PolarHBondContact O-N 3.48Å; E361-H363 VanDerWaalsContact C-N 3.29Å; E361-H363 PolarHBondContact O-N 3.41Å; E361-S364 WeakPolarHBondContact O-CB 3.43Å; E361-S364 PolarHBondContact O-N 2.83Å; E361-S364 PolarHBondContact O-OG 3.46Å
362M94.3Very high93.7Very high124 Ų12477.5 Ų77.561%0.61140%0.398SS*.Hα-helixtrans-59.7-39.3176.1-179.1171.471.600112E358 F359E358-M362 VanDerWaalsContact O-CB 3.24Å; E358-M362 WeakPolarHBondContact O-CB 3.5Å; E358-M362 PolarHBondContact O-N 2.79Å; F359-M362 HydrophobicContact CD2-CE 4.38Å
363H93.4Very high93.8Very high35 Ų3575.1 Ų75.116%0.16238%0.383CS..THydrogen-bonded Turntrans-106.749.5179-61.9-54.8000111.9R339 F359 L360 E361 T370 A373R339-H363 PolarHBondContact NH2-O 2.81Å; F359-H363 AromaticContact CD2-CD2 3.8Å; F359-H363 HydrophobicContact CE1-CB 4.46Å; F359-H363 AromaticContact CE1-CD2 3.7Å; F359-H363 AromaticContact CE2-CD2 3.46Å; F359-H363 VanDerWaalsContact CE2-CD2 3.46Å; F359-H363 WeakPolarHBondContact CE2-CD2 3.39Å; F359-H363 AromaticContact CE2-NE2 3.75Å; F359-H363 AromaticContact CZ-CD2 3.39Å; F359-H363 WeakPolarHBondContact CZ-CD2 3.31Å; F359-H363 WeakPolarHBondContact O-CB 3.46Å; F359-H363 PolarHBondContact O-CD2 3.09Å; F359-H363 PolarHBondContact O-N 3.24Å; L360-H363 CarbonylContact O-C 3.48Å; E361-H363 VanDerWaalsContact C-N 3.29Å; E361-H363 PolarHBondContact O-N 3.41Å; H363-T370 HydrophobicContact CB-CG2 3.99Å; H363-T370 WeakPolarHBondContact O-CG2 3.44Å; H363-A373 WeakPolarHBondContact CE1-CB 3.16Å; H363-A373 WeakPolarHBondContact ND1-CB 3.39Å
364S89.6Confident94.1Very high77 Ų7768.6 Ų68.654%0.53835%0.353SS..  trans-76.6155.6170.655.40000111.9L360 E361 T370L360-S364 PolarHBondContact O-N 3.31Å; E361-S364 WeakPolarHBondContact O-CB 3.43Å; E361-S364 PolarHBondContact O-N 2.83Å; E361-S364 PolarHBondContact O-OG 3.46Å; S364-T370 PolarHBondContact O-OG1 3.29Å
365G91.2Very high94.2Very high34 Ų3468.2 Ų68.235%0.35134%0.341SS..SBendtrans83.8-158.4179.600000114.9R339R339-G365 PolarHBondContact NH1-O 3.02Å; R339-G365 PolarHBondContact NH2-O 3.41Å
366Y92Very high94.4Very high60 Ų6068.6 Ų68.624%0.23534%0.343CS..  trans-138.130-169.2-52.3-72.5000112.7V332 C335 E336V332-Y366 HydrophobicContact CB-CD1 4.18Å; V332-Y366 HydrophobicContact CB-CE1 4.13Å; V332-Y366 HydrophobicContact CG1-CE1 4.02Å; V332-Y366 HydrophobicContact CG2-CD1 3.83Å; V332-Y366 HydrophobicContact CG2-CD2 3.75Å; V332-Y366 HydrophobicContact CG2-CE1 3.96Å; V332-Y366 HydrophobicContact CG2-CE2 3.88Å; V332-Y366 HydrophobicContact CG2-CG 3.71Å; C335-Y366 HydrophobicContact CB-CD1 3.8Å; C335-Y366 HydrophobicContact CB-CE1 4.18Å; E336-Y366 HydrophobicContact CG-CE1 4.39Å; E336-Y366 PolarHBondContact OE1-OH 3.43Å
367K92Very high94.5Very high69 Ų6968.4 Ų68.430%0.334%0.342SS..  trans-71.4155.2178.4-52.3-176.7-172.2-172.50109.9F238 E369 T370 L371F238-K367 HydrophobicContact CB-CB 4.39Å; F238-K367 HydrophobicContact CB-CG 4.38Å; F238-K367 HydrophobicContact CD1-CD 4.35Å; F238-K367 HydrophobicContact CD2-CB 4.44Å; F238-K367 HydrophobicContact CD2-CD 3.41Å; F238-K367 VanDerWaalsContact CD2-CD 3.41Å; F238-K367 VanDerWaalsContact CD2-CE 3.5Å; F238-K367 HydrophobicContact CD2-CG 3.57Å; F238-K367 HydrophobicContact CE1-CD 4.45Å; F238-K367 HydrophobicContact CE2-CD 3.56Å; F238-K367 HydrophobicContact CE2-CG 4.15Å; F238-K367 HydrophobicContact CG-CB 4.49Å; F238-K367 HydrophobicContact CG-CD 3.86Å; F238-K367 HydrophobicContact CG-CG 4.07Å; F238-K367 HydrophobicContact CZ-CD 4.09Å; K367-E369 PolarHBondContact O-N 2.96Å; K367-T370 WeakPolarHBondContact O-CA 3.4Å; K367-T370 VanDerWaalsContact O-CB 3.26Å; K367-T370 WeakPolarHBondContact O-CB 3.39Å; K367-T370 PolarHBondContact O-N 3.08Å; K367-L371 PolarHBondContact O-N 2.73Å
368P90.8Very high94.6Very high49 Ų4962.3 Ų62.332%0.31832%0.316SS..Hα-helixtrans-53.6-40.4172-27.835.1000112.7I237 T370 L371 E372I237-P368 VanDerWaalsContact O-CD 3.24Å; I237-P368 WeakPolarHBondContact O-CD 3.35Å; P368-T370 VanDerWaalsContact C-N 3.32Å; P368-T370 PolarHBondContact O-N 2.85Å; P368-L371 WeakPolarHBondContact O-CB 3.36Å; P368-L371 PolarHBondContact O-N 3.19Å; P368-L371 VanDerWaalsContact O-N 3.17Å; P368-E372 WeakPolarHBondContact O-CG 3.46Å; P368-E372 PolarHBondContact O-N 3.42Å
369E92.3Very high94.7Very high131 Ų13159.7 Ų59.761%0.61231%0.306SS*.Hα-helixtrans-60.8-40175.4-64.1167.6-174.900112.2K367 E372 A373K367-E369 PolarHBondContact O-N 2.96Å; E369-E372 PolarHBondContact O-N 3.46Å; E369-A373 WeakPolarHBondContact O-CB 3.39Å; E369-A373 PolarHBondContact O-N 2.81Å
370T95Very high94.6Very high9 Ų964.2 Ų64.26%0.05532%0.323CS..Hα-helixtrans-64.3-43.6174.7-50.90000111H363 S364 K367 P368 A373 L374H363-T370 HydrophobicContact CB-CG2 3.99Å; H363-T370 WeakPolarHBondContact O-CG2 3.44Å; S364-T370 PolarHBondContact O-OG1 3.29Å; K367-T370 WeakPolarHBondContact O-CA 3.4Å; K367-T370 VanDerWaalsContact O-CB 3.26Å; K367-T370 WeakPolarHBondContact O-CB 3.39Å; K367-T370 PolarHBondContact O-N 3.08Å; P368-T370 VanDerWaalsContact C-N 3.32Å; P368-T370 PolarHBondContact O-N 2.85Å; T370-A373 PolarHBondContact O-N 3.33Å; T370-L374 HydrophobicContact CG2-CD1 4.25Å; T370-L374 WeakPolarHBondContact O-CB 3.45Å; T370-L374 VanDerWaalsContact O-CG 3.25Å; T370-L374 WeakPolarHBondContact O-CG 3.21Å; T370-L374 PolarHBondContact O-N 3.26Å
371L95.5Very high94.6Very high34 Ų3462 Ų6218%0.17831%0.311CS..Hα-helixtrans-62.8-44.9177.6177.265000111.5L331 L338 K367 P368 L374 Q375L331-L371 HydrophobicContact CD2-CD2 3.76Å; L338-L371 HydrophobicContact CD1-CD1 3.61Å; K367-L371 PolarHBondContact O-N 2.73Å; P368-L371 WeakPolarHBondContact O-CB 3.36Å; P368-L371 PolarHBondContact O-N 3.19Å; P368-L371 VanDerWaalsContact O-N 3.17Å; L371-L374 PolarHBondContact O-N 2.72Å; L371-Q375 PolarHBondContact O-N 3.03Å
372E96.2Very high94.5Very high124 Ų12458.3 Ų58.358%0.57929%0.294SS*.Hα-helixtrans-60.5-47.7176.3-73.8175-174.400111.1P368 E369 L374 Q375 E376P368-E372 WeakPolarHBondContact O-CG 3.46Å; P368-E372 PolarHBondContact O-N 3.42Å; E369-E372 PolarHBondContact O-N 3.46Å; E372-L374 VanDerWaalsContact C-N 3.33Å; E372-L374 PolarHBondContact O-N 3.35Å; E372-Q375 PolarHBondContact O-N 2.66Å; E372-Q375 VanDerWaalsContact O-N 3.16Å; E372-E376 WeakPolarHBondContact O-CG 3.46Å; E372-E376 PolarHBondContact O-N 3.38Å
373A97.2Very high94.5Very high12 Ų1257.3 Ų57.310%0.09929%0.288CS..Hα-helixtrans-62.2-38.6177.800000113.1H363 E369 T370 E377H363-A373 WeakPolarHBondContact CE1-CB 3.16Å; H363-A373 WeakPolarHBondContact ND1-CB 3.39Å; E369-A373 WeakPolarHBondContact O-CB 3.39Å; E369-A373 PolarHBondContact O-N 2.81Å; T370-A373 PolarHBondContact O-N 3.33Å; A373-E377 WeakPolarHBondContact O-CB 2.91Å; A373-E377 PolarHBondContact O-N 2.86Å
374L97.6Very high94.4Very high0 Ų059.7 Ų59.70%030%0.3CS..Hα-helixtrans-62.9-44.1173.7-73.5168.6000111.3C335 L338 R339 L342 F359 T370 L371 E372 E377 V378C335-L374 HydrophobicContact CB-CD1 3.9Å; L338-L374 HydrophobicContact CB-CB 4.29Å; L338-L374 HydrophobicContact CD1-CB 4.09Å; R339-L374 HydrophobicContact CG-CD1 4.23Å; R339-L374 HydrophobicContact CG-CD2 3.76Å; L342-L374 HydrophobicContact CD1-CD2 3.68Å; F359-L374 HydrophobicContact CE1-CD2 4.01Å; T370-L374 HydrophobicContact CG2-CD1 4.25Å; T370-L374 WeakPolarHBondContact O-CB 3.45Å; T370-L374 VanDerWaalsContact O-CG 3.25Å; T370-L374 WeakPolarHBondContact O-CG 3.21Å; T370-L374 PolarHBondContact O-N 3.26Å; L371-L374 PolarHBondContact O-N 2.72Å; E372-L374 VanDerWaalsContact C-N 3.33Å; E372-L374 PolarHBondContact O-N 3.35Å; L374-E377 PolarHBondContact O-N 2.74Å; L374-V378 WeakPolarHBondContact O-CG2 3.41Å; L374-V378 PolarHBondContact O-N 3.14Å
375Q97.7Very high94.3Very high81 Ų8156.6 Ų56.638%0.37928%0.277SS..Hα-helixtrans-64.8-44.3178-173.960.757.900111.7L371 E372 E377 V378 D379L371-Q375 PolarHBondContact O-N 3.03Å; E372-Q375 PolarHBondContact O-N 2.66Å; E372-Q375 VanDerWaalsContact O-N 3.16Å; Q375-E377 VanDerWaalsContact C-N 3.29Å; Q375-E377 PolarHBondContact O-N 3.13Å; Q375-V378 WeakPolarHBondContact O-CB 3.32Å; Q375-V378 PolarHBondContact O-N 3.47Å; Q375-V378 VanDerWaalsContact O-N 3.15Å; Q375-D379 PolarHBondContact NE2-OD1 2.94Å; Q375-D379 VanDerWaalsContact O-CG 3.24Å; Q375-D379 PolarHBondContact O-N 2.86Å
376E97.9Very high94.1Very high105 Ų10559.2 Ų59.249%0.49128%0.276SS..Hα-helixtrans-61-39176-73.5-175.9-177.900112.2E372 V378 D379 R380E372-E376 WeakPolarHBondContact O-CG 3.46Å; E372-E376 PolarHBondContact O-N 3.38Å; E376-V378 VanDerWaalsContact C-N 3.34Å; E376-D379 PolarHBondContact O-N 3.38Å; E376-R380 WeakPolarHBondContact O-CB 3.42Å; E376-R380 WeakPolarHBondContact O-CG 3.37Å; E376-R380 PolarHBondContact O-N 2.81Å; E376-R380 IonicContact OE2-NH1 3.38Å; E376-R380 PolarHBondContact OE2-NH1 3.48Å
377E96.9Very high94Very high17 Ų1762.2 Ų62.28%0.07929%0.293CS..Hα-helixtrans-69.1-34.6176.3-174.267.1-176.200112L342 W346 K351 F359 A373 L374 Q375 D379 R380 C381L342-E377 HydrophobicContact CD1-CB 4.27Å; L342-E377 HydrophobicContact CD1-CG 4.18Å; L342-E377 HydrophobicContact CD2-CB 4.22Å; L342-E377 HydrophobicContact CD2-CG 3.77Å; W346-E377 HydrophobicContact CZ2-CG 3.73Å; W346-E377 PolarHBondContact NE1-OE1 3.45Å; K351-E377 IonicContact NZ-OE1 3.24Å; K351-E377 PolarHBondContact NZ-OE1 2.85Å; F359-E377 HydrophobicContact CD2-CG 4.37Å; F359-E377 HydrophobicContact CE1-CB 4.07Å; F359-E377 HydrophobicContact CE1-CG 4Å; F359-E377 HydrophobicContact CE2-CB 3.78Å; F359-E377 HydrophobicContact CE2-CG 3.78Å; F359-E377 HydrophobicContact CZ-CB 3.34Å; F359-E377 HydrophobicContact CZ-CG 3.57Å; A373-E377 WeakPolarHBondContact O-CB 2.91Å; A373-E377 PolarHBondContact O-N 2.86Å; L374-E377 PolarHBondContact O-N 2.74Å; Q375-E377 VanDerWaalsContact C-N 3.29Å; Q375-E377 PolarHBondContact O-N 3.13Å; E377-D379 VanDerWaalsContact C-N 3.34Å; E377-R380 PolarHBondContact O-N 2.91Å; E377-R380 IonicContact OE2-CZ 2.69Å; E377-R380 VanDerWaalsContact OE2-CZ 3.3Å; E377-R380 IonicContact OE2-NE 2.62Å; E377-R380 PolarHBondContact OE2-NE 2.84Å; E377-R380 IonicContact OE2-NH2 3.15Å; E377-R380 PolarHBondContact OE2-NH2 3.14Å; E377-C381 WeakPolarHBondContact O-CB 3.24Å; E377-C381 PolarHBondContact O-N 3.45Å; E377-C381 PolarHBondContact O-SG 2.91Å
378V96.4Very high93.7Very high5 Ų562.3 Ų62.33%0.0330%0.296CS..Hα-helixtrans-60.4-47.7170.7163.10000110L338 Y341 L342 L374 Q375 E376 R380 C381 Q382L338-V378 HydrophobicContact CD2-CG2 3.95Å; Y341-V378 HydrophobicContact CD1-CG1 4.17Å; Y341-V378 HydrophobicContact CD1-CG2 3.84Å; Y341-V378 HydrophobicContact CE1-CG1 3.79Å; Y341-V378 HydrophobicContact CE1-CG2 4.23Å; L342-V378 HydrophobicContact CD1-CG2 4.2Å; L342-V378 HydrophobicContact CD2-CB 4.36Å; L342-V378 HydrophobicContact CD2-CG2 3.57Å; L342-V378 HydrophobicContact CG-CG2 3.64Å; L374-V378 WeakPolarHBondContact O-CG2 3.41Å; L374-V378 PolarHBondContact O-N 3.14Å; Q375-V378 WeakPolarHBondContact O-CB 3.32Å; Q375-V378 PolarHBondContact O-N 3.47Å; Q375-V378 VanDerWaalsContact O-N 3.15Å; E376-V378 VanDerWaalsContact C-N 3.34Å; V378-R380 PolarHBondContact O-N 3.43Å; V378-C381 PolarHBondContact O-N 3.17Å; V378-Q382 HydrophobicContact CG1-CG 4.49Å; V378-Q382 WeakPolarHBondContact O-CG 3.37Å; V378-Q382 PolarHBondContact O-N 2.82Å
379D97.3Very high93.4Very high71 Ų7161.6 Ų61.638%0.3829%0.289SS..Hα-helixtrans-63.5-41.5179.2-62.1-12.1000111.1Q375 E376 E377 C381 Q382 Q383Q375-D379 PolarHBondContact NE2-OD1 2.94Å; Q375-D379 VanDerWaalsContact O-CG 3.24Å; Q375-D379 PolarHBondContact O-N 2.86Å; E376-D379 PolarHBondContact O-N 3.38Å; E377-D379 VanDerWaalsContact C-N 3.34Å; D379-C381 PolarHBondContact O-N 2.8Å; D379-Q382 PolarHBondContact O-N 3.35Å; D379-Q383 WeakPolarHBondContact O-CB 3.39Å; D379-Q383 PolarHBondContact O-N 3.38Å
380R95Very high93.2Very high111 Ų11161.3 Ų61.342%0.41929%0.288SS..Hα-helixtrans-59.9-44.3173-76.1-171-71.7-99.21.4111.8E376 E377 V378 Q383 M384E376-R380 WeakPolarHBondContact O-CB 3.42Å; E376-R380 WeakPolarHBondContact O-CG 3.37Å; E376-R380 PolarHBondContact O-N 2.81Å; E376-R380 IonicContact OE2-NH1 3.38Å; E376-R380 PolarHBondContact OE2-NH1 3.48Å; E377-R380 PolarHBondContact O-N 2.91Å; E377-R380 IonicContact OE2-CZ 2.69Å; E377-R380 VanDerWaalsContact OE2-CZ 3.3Å; E377-R380 IonicContact OE2-NE 2.62Å; E377-R380 PolarHBondContact OE2-NE 2.84Å; E377-R380 IonicContact OE2-NH2 3.15Å; E377-R380 PolarHBondContact OE2-NH2 3.14Å; V378-R380 PolarHBondContact O-N 3.43Å; R380-Q383 PolarHBondContact O-N 3.25Å; R380-M384 WeakPolarHBondContact O-CG 3.4Å; R380-M384 PolarHBondContact O-N 3.49Å
381C93.6Very high92.9Very high2 Ų264 Ų641%0.01430%0.304CS..Hα-helixtrans-65.5-38.7177.3-69.40000112M345 W346 L349 E377 V378 D379 M384 K385M345-C381 HydrophobicContact CG-CB 3.73Å; W346-C381 VanDerWaalsContact CD1-SG 3.56Å; W346-C381 PolarHBondContact NE1-SG 3.38Å; L349-C381 HydrophobicContact CD1-CB 4Å; E377-C381 WeakPolarHBondContact O-CB 3.24Å; E377-C381 PolarHBondContact O-N 3.45Å; E377-C381 PolarHBondContact O-SG 2.91Å; V378-C381 PolarHBondContact O-N 3.17Å; D379-C381 PolarHBondContact O-N 2.8Å; C381-M384 PolarHBondContact O-N 3.46Å; C381-K385 WeakPolarHBondContact O-CB 3.48Å; C381-K385 PolarHBondContact O-N 3.4Å
382Q92.7Very high92.6Very high75 Ų7562.4 Ų62.435%0.3530%0.296SS..Hα-helixtrans-64.9-40.3174.7-72.9-179.71.700111.6Y341 V378 D379 K385 W386Y341-Q382 PolarHBondContact OH-NE2 2.63Å; V378-Q382 HydrophobicContact CG1-CG 4.49Å; V378-Q382 WeakPolarHBondContact O-CG 3.37Å; V378-Q382 PolarHBondContact O-N 2.82Å; D379-Q382 PolarHBondContact O-N 3.35Å; Q382-K385 WeakPolarHBondContact O-CB 3.21Å; Q382-K385 PolarHBondContact O-N 3.36Å; Q382-W386 PolarHBondContact O-N 2.81Å
383Q93.5Very high92.2Very high102 Ų10256.9 Ų56.948%0.47727%0.271SS..Hα-helixtrans-62.6-46.2174.2-176.359.631.600111.2D379 R380 K385 W386 E387D379-Q383 WeakPolarHBondContact O-CB 3.39Å; D379-Q383 PolarHBondContact O-N 3.38Å; R380-Q383 PolarHBondContact O-N 3.25Å; Q383-K385 VanDerWaalsContact C-N 3.27Å; Q383-K385 PolarHBondContact O-N 3.05Å; Q383-W386 PolarHBondContact O-N 3.16Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.39Å; Q383-E387 PolarHBondContact NE2-OE1 2.95Å; Q383-E387 WeakPolarHBondContact O-CG 3.47Å; Q383-E387 PolarHBondContact O-N 3.45Å
384M91.3Very high91.8Very high85 Ų8558.7 Ų58.742%0.41928%0.283SS..Hα-helixtrans-61.6-34.2175.8-73.1-17671.300113L349 R380 C381 W386 E387 N388L349-M384 HydrophobicContact CD1-CB 4.26Å; L349-M384 HydrophobicContact CD2-CB 4.37Å; R380-M384 WeakPolarHBondContact O-CG 3.4Å; R380-M384 PolarHBondContact O-N 3.49Å; C381-M384 PolarHBondContact O-N 3.46Å; M384-W386 VanDerWaalsContact C-N 3.31Å; M384-W386 PolarHBondContact O-N 2.92Å; M384-E387 PolarHBondContact O-N 3.15Å; M384-N388 WeakPolarHBondContact O-CB 3.22Å; M384-N388 PolarHBondContact O-N 3.32Å; M384-N388 PolarHBondContact O-ND2 3.45Å
385K88.7Confident91.4Very high13 Ų1362.6 Ų62.66%0.05730%0.297CS..Hα-helixtrans-58.3-43.3172.1164-178.1175.2172.30110.8C381 Q382 Q383 M389 Y392 I429 E433C381-K385 WeakPolarHBondContact O-CB 3.48Å; C381-K385 PolarHBondContact O-N 3.4Å; Q382-K385 WeakPolarHBondContact O-CB 3.21Å; Q382-K385 PolarHBondContact O-N 3.36Å; Q383-K385 VanDerWaalsContact C-N 3.27Å; Q383-K385 PolarHBondContact O-N 3.05Å; K385-M389 VanDerWaalsContact O-CA 3.26Å; K385-M389 WeakPolarHBondContact O-CA 3.11Å; K385-M389 WeakPolarHBondContact O-CG 3.29Å; K385-M389 PolarHBondContact O-N 3.49Å; K385-M389 VanDerWaalsContact O-N 3.16Å; K385-Y392 HydrophobicContact CD-CD1 4.38Å; K385-Y392 HydrophobicContact CD-CE1 3.84Å; K385-Y392 HydrophobicContact CG-CD1 3.91Å; K385-Y392 HydrophobicContact CG-CE1 3.87Å; K385-Y392 HydrophobicContact CG-CG 4.27Å; K385-I429 VanDerWaalsContact CE-CG2 3.43Å; K385-E433 VanDerWaalsContact NZ-CD 3.25Å; K385-E433 IonicContact NZ-OE1 3.76Å; K385-E433 PolarHBondContact NZ-OE1 3.33Å; K385-E433 IonicContact NZ-OE2 2.8Å; K385-E433 PolarHBondContact NZ-OE2 3.09Å
386W86Confident90.9Very high88 Ų8858.7 Ų58.733%0.33328%0.279SS..Hα-helixtrans-80.2-24.6179.3-62.7122.8000114.3Q382 Q383 M384 M389 E426 I429Q382-W386 PolarHBondContact O-N 2.81Å; Q383-W386 PolarHBondContact O-N 3.16Å; M384-W386 VanDerWaalsContact C-N 3.31Å; M384-W386 PolarHBondContact O-N 2.92Å; W386-M389 HydrophobicContact CE3-CE 3.55Å; W386-M389 HydrophobicContact CE3-CG 3.86Å; W386-M389 HydrophobicContact CE3-SD 3.65Å; W386-M389 HydrophobicContact CZ3-CE 3.59Å; W386-M389 HydrophobicContact CZ3-SD 4.32Å; W386-M389 WeakPolarHBondContact O-CG 3.5Å; W386-M389 VanDerWaalsContact O-SD 3.34Å; W386-E426 HydrophobicContact CE3-CG 4.29Å; W386-E426 HydrophobicContact CH2-CB 3.89Å; W386-E426 HydrophobicContact CH2-CG 3.87Å; W386-E426 HydrophobicContact CZ3-CB 3.83Å; W386-E426 HydrophobicContact CZ3-CG 3.46Å; W386-E426 VanDerWaalsContact CZ3-CG 3.46Å; W386-I429 HydrophobicContact CZ3-CD1 4.47Å
387E89.5Confident90.5Very high124 Ų12457.4 Ų57.458%0.57927%0.273SS*.Hα-helixtrans-77.5-35.9173.3-71.4173.1-178.400112.1Q383 M384Q383-E387 WeakPolarHBondContact CG-OE1 3.39Å; Q383-E387 PolarHBondContact NE2-OE1 2.95Å; Q383-E387 WeakPolarHBondContact O-CG 3.47Å; Q383-E387 PolarHBondContact O-N 3.45Å; M384-E387 PolarHBondContact O-N 3.15Å
388N86.5Confident90.1Very high70 Ų7060.2 Ų60.237%0.37430%0.295SS..SBendtrans-111.230-175.6-61.8-59.8000113M384 Q390 T391 Y392M384-N388 WeakPolarHBondContact O-CB 3.22Å; M384-N388 PolarHBondContact O-N 3.32Å; M384-N388 PolarHBondContact O-ND2 3.45Å; N388-Q390 VanDerWaalsContact C-N 3.25Å; N388-Q390 PolarHBondContact O-N 2.91Å; N388-Q390 VanDerWaalsContact O-N 3.08Å; N388-T391 PolarHBondContact O-N 3.29Å; N388-T391 PolarHBondContact O-OG1 2.96Å; N388-Y392 PolarHBondContact O-N 3.43Å
389M85.5Confident89.9Confident35 Ų3562 Ų6217%0.17230%0.303CS..Hα-helixtrans-47.7-44.2-171.6-68.6169.573.300113.5K385 W386 T391 Y392 L393 P425 E426 I429K385-M389 VanDerWaalsContact O-CA 3.26Å; K385-M389 WeakPolarHBondContact O-CA 3.11Å; K385-M389 WeakPolarHBondContact O-CG 3.29Å; K385-M389 PolarHBondContact O-N 3.49Å; K385-M389 VanDerWaalsContact O-N 3.16Å; W386-M389 HydrophobicContact CE3-CE 3.55Å; W386-M389 HydrophobicContact CE3-CG 3.86Å; W386-M389 HydrophobicContact CE3-SD 3.65Å; W386-M389 HydrophobicContact CZ3-CE 3.59Å; W386-M389 HydrophobicContact CZ3-SD 4.32Å; W386-M389 WeakPolarHBondContact O-CG 3.5Å; W386-M389 VanDerWaalsContact O-SD 3.34Å; M389-T391 VanDerWaalsContact C-N 3.35Å; M389-T391 PolarHBondContact O-N 3.38Å; M389-Y392 PolarHBondContact O-N 3.34Å; M389-L393 WeakPolarHBondContact O-CB 3.42Å; M389-L393 PolarHBondContact O-N 2.9Å; M389-P425 HydrophobicContact CE-CB 3.68Å; M389-P425 HydrophobicContact CE-CG 3.44Å; M389-P425 VanDerWaalsContact CE-CG 3.44Å; M389-E426 HydrophobicContact CE-CG 3.79Å; M389-I429 HydrophobicContact CB-CD1 4.28Å; M389-I429 HydrophobicContact CE-CD1 4.29Å; M389-I429 HydrophobicContact CG-CD1 4.43Å
390Q87.4Confident89.4Confident124 Ų12458.7 Ų58.758%0.57929%0.285SS*.Hα-helixtrans-64-41.2-177.6-172.258.358.200112.2N388 S394N388-Q390 VanDerWaalsContact C-N 3.25Å; N388-Q390 PolarHBondContact O-N 2.91Å; N388-Q390 VanDerWaalsContact O-N 3.08Å; Q390-S394 PolarHBondContact O-N 3.38Å; Q390-S394 VanDerWaalsContact O-N 3.08Å; Q390-S394 PolarHBondContact O-OG 3.41Å
391T88.4Confident89.1Confident66 Ų6656.5 Ų56.541%0.40528%0.281SS..Hα-helixtrans-75.4-31.8179.372.80000111.9N388 M389 R395N388-T391 PolarHBondContact O-N 3.29Å; N388-T391 PolarHBondContact O-OG1 2.96Å; M389-T391 VanDerWaalsContact C-N 3.35Å; M389-T391 PolarHBondContact O-N 3.38Å; T391-R395 VanDerWaalsContact CB-NH1 3.35Å; T391-R395 WeakPolarHBondContact O-CG 3.29Å; T391-R395 PolarHBondContact O-N 3.26Å; T391-R395 PolarHBondContact O-NH1 2.93Å; T391-R395 VanDerWaalsContact O-NH1 3.17Å; T391-R395 PolarHBondContact OG1-NH1 3.46Å
392Y89.8Confident88.9Confident0 Ų062.9 Ų62.90%031%0.305CS..Hα-helixtrans-67.4-44.7173.1-174.7-101.5000110.6M345 R348 L349 K385 N388 M389 R395 L396 I429 E433M345-Y392 HydrophobicContact SD-CE2 3.63Å; M345-Y392 PolarHBondContact SD-OH 3.41Å; R348-Y392 HydrophobicContact CB-CD2 4.07Å; R348-Y392 HydrophobicContact CB-CE2 3.5Å; R348-Y392 WeakPolarHBondContact CD-OH 3.48Å; R348-Y392 HydrophobicContact CG-CE2 4.36Å; R348-Y392 PolarHBondContact NH1-OH 2.85Å; L349-Y392 HydrophobicContact CD2-CD2 3.89Å; L349-Y392 HydrophobicContact CD2-CE2 4.49Å; L349-Y392 HydrophobicContact CG-CD2 4.4Å; K385-Y392 HydrophobicContact CD-CD1 4.38Å; K385-Y392 HydrophobicContact CD-CE1 3.84Å; K385-Y392 HydrophobicContact CG-CD1 3.91Å; K385-Y392 HydrophobicContact CG-CE1 3.87Å; K385-Y392 HydrophobicContact CG-CG 4.27Å; N388-Y392 PolarHBondContact O-N 3.43Å; M389-Y392 PolarHBondContact O-N 3.34Å; Y392-R395 PolarHBondContact O-N 2.86Å; Y392-L396 HydrophobicContact CD1-CD1 3.7Å; Y392-L396 HydrophobicContact CD1-CG 4.2Å; Y392-L396 HydrophobicContact CE1-CD1 3.34Å; Y392-L396 HydrophobicContact CE1-CD2 4.4Å; Y392-L396 HydrophobicContact CE1-CG 3.91Å; Y392-L396 PolarHBondContact O-N 2.99Å; Y392-I429 HydrophobicContact CD1-CD1 4.11Å; Y392-I429 HydrophobicContact CD1-CG1 4.27Å; Y392-I429 HydrophobicContact CD1-CG2 4.23Å; Y392-I429 HydrophobicContact CE1-CG2 3.84Å; Y392-E433 WeakPolarHBondContact CE1-OE1 3.47Å; Y392-E433 PolarHBondContact OH-OE1 2.87Å
393L87.1Confident88.6Confident9 Ų959.5 Ų59.55%0.04729%0.289CS..Hα-helixtrans-58.9-51.5176.7177.263.2000111.6M389 R395 L396 E397 I428 I429 L432M389-L393 WeakPolarHBondContact O-CB 3.42Å; M389-L393 PolarHBondContact O-N 2.9Å; L393-R395 PolarHBondContact O-N 3.45Å; L393-L396 WeakPolarHBondContact O-CB 3.49Å; L393-L396 PolarHBondContact O-N 3.46Å; L393-L396 VanDerWaalsContact O-N 3.09Å; L393-E397 HydrophobicContact CD1-CG 4.39Å; L393-E397 WeakPolarHBondContact O-CG 3.44Å; L393-E397 PolarHBondContact O-N 2.88Å; L393-I428 HydrophobicContact CD1-CB 4.1Å; L393-I428 HydrophobicContact CD1-CG2 3.48Å; L393-I428 VanDerWaalsContact CD1-CG2 3.48Å; L393-I429 HydrophobicContact CB-CG1 4.33Å; L393-I429 HydrophobicContact CD1-CG1 4.08Å; L393-L432 HydrophobicContact CD1-CD1 3.54Å
394S88.3Confident88.2Confident50 Ų5054.7 Ų54.735%0.3527%0.267SS..Hα-helixtrans-60.7-30.1178.9-63.50000113.1Q390 S398Q390-S394 PolarHBondContact O-N 3.38Å; Q390-S394 VanDerWaalsContact O-N 3.08Å; Q390-S394 PolarHBondContact O-OG 3.41Å; S394-S398 WeakPolarHBondContact O-CB 3.38Å; S394-S398 PolarHBondContact O-N 3.35Å; S394-S398 VanDerWaalsContact O-N 3.14Å; S394-S398 PolarHBondContact O-OG 2.79Å
395R89.8Confident87.9Confident81 Ų8154.1 Ų54.131%0.30627%0.271SS..Hα-helixtrans-74.4-42173.8-74.5180-178.898.6-9.9112.2R348 D350 T391 Y392 L393 E397 S398 E399R348-R395 WeakPolarHBondContact O-CD 3.38Å; D350-R395 IonicContact OD2-CZ 3.33Å; D350-R395 IonicContact OD2-NE 2.61Å; D350-R395 PolarHBondContact OD2-NE 3.08Å; D350-R395 IonicContact OD2-NH2 3.79Å; D350-R395 PolarHBondContact OD2-NH2 3.38Å; T391-R395 VanDerWaalsContact CB-NH1 3.35Å; T391-R395 WeakPolarHBondContact O-CG 3.29Å; T391-R395 PolarHBondContact O-N 3.26Å; T391-R395 PolarHBondContact O-NH1 2.93Å; T391-R395 VanDerWaalsContact O-NH1 3.17Å; T391-R395 PolarHBondContact OG1-NH1 3.46Å; Y392-R395 PolarHBondContact O-N 2.86Å; L393-R395 PolarHBondContact O-N 3.45Å; R395-E397 VanDerWaalsContact C-N 3.33Å; R395-E397 PolarHBondContact O-N 3.35Å; R395-S398 PolarHBondContact O-N 3.01Å; R395-E399 WeakPolarHBondContact O-CB 3.5Å; R395-E399 PolarHBondContact O-N 2.93Å
396L88.4Confident87.7Confident0 Ų056.4 Ų56.40%028%0.284CS..Hα-helixtrans-58.9-44.6172.8-77.5176.5000111.6Y392 L393 S398 E399 A400 I429 L432 E433 L436Y392-L396 HydrophobicContact CD1-CD1 3.7Å; Y392-L396 HydrophobicContact CD1-CG 4.2Å; Y392-L396 HydrophobicContact CE1-CD1 3.34Å; Y392-L396 HydrophobicContact CE1-CD2 4.4Å; Y392-L396 HydrophobicContact CE1-CG 3.91Å; Y392-L396 PolarHBondContact O-N 2.99Å; L393-L396 WeakPolarHBondContact O-CB 3.49Å; L393-L396 PolarHBondContact O-N 3.46Å; L393-L396 VanDerWaalsContact O-N 3.09Å; L396-S398 VanDerWaalsContact C-N 3.33Å; L396-S398 PolarHBondContact O-N 3.05Å; L396-E399 PolarHBondContact O-N 3.27Å; L396-A400 VanDerWaalsContact O-CB 3.24Å; L396-A400 WeakPolarHBondContact O-CB 3.44Å; L396-A400 PolarHBondContact O-N 2.9Å; L396-I429 HydrophobicContact CD1-CB 4.3Å; L396-I429 HydrophobicContact CD1-CG1 4.18Å; L396-I429 HydrophobicContact CD1-CG2 3.92Å; L396-L432 HydrophobicContact CB-CB 4.19Å; L396-L432 HydrophobicContact CB-CD1 3.86Å; L396-L432 HydrophobicContact CD1-CB 4.31Å; L396-E433 HydrophobicContact CD1-CG 4.11Å; L396-E433 HydrophobicContact CD2-CG 4.11Å; L396-L436 HydrophobicContact CD2-CD1 3.44Å; L396-L436 VanDerWaalsContact CD2-CD1 3.44Å
397E88.5Confident87.5Confident77 Ų7752.3 Ų52.336%0.3627%0.268SS..Hα-helixtrans-59-45.8176-71.6175.9161.700111L393 R395 A400 L401 L432L393-E397 HydrophobicContact CD1-CG 4.39Å; L393-E397 WeakPolarHBondContact O-CG 3.44Å; L393-E397 PolarHBondContact O-N 2.88Å; R395-E397 VanDerWaalsContact C-N 3.33Å; R395-E397 PolarHBondContact O-N 3.35Å; E397-A400 PolarHBondContact O-N 3.12Å; E397-L401 WeakPolarHBondContact O-CB 3.46Å; E397-L401 VanDerWaalsContact O-CG 3.26Å; E397-L401 WeakPolarHBondContact O-CG 3.31Å; E397-L401 PolarHBondContact O-N 3.46Å; E397-L432 HydrophobicContact CG-CD1 3.72Å
398S89.2Confident86.8Confident77 Ų7748.2 Ų48.254%0.53825%0.253SS..Hα-helixtrans-64.7-41177.6-59.30000112.4S394 R395 L396 R402S394-S398 WeakPolarHBondContact O-CB 3.38Å; S394-S398 PolarHBondContact O-N 3.35Å; S394-S398 VanDerWaalsContact O-N 3.14Å; S394-S398 PolarHBondContact O-OG 2.79Å; R395-S398 PolarHBondContact O-N 3.01Å; L396-S398 VanDerWaalsContact C-N 3.33Å; L396-S398 PolarHBondContact O-N 3.05Å; S398-R402 VanDerWaalsContact O-CB 3.3Å; S398-R402 WeakPolarHBondContact O-CB 3.42Å; S398-R402 PolarHBondContact O-N 2.67Å
399E90.7Very high86.3Confident43 Ų4346 Ų4620%0.20124%0.242CC..Hα-helixtrans-64.4-46176.3-169.1-172.1165.300110.8R348 R395 L396 R402 L403 L436R348-E399 IonicContact CZ-OE2 2.77Å; R348-E399 IonicContact NE-OE2 2.71Å; R348-E399 PolarHBondContact NE-OE2 3.48Å; R348-E399 IonicContact NH2-OE1 3.63Å; R348-E399 IonicContact NH2-OE2 3.2Å; R395-E399 WeakPolarHBondContact O-CB 3.5Å; R395-E399 PolarHBondContact O-N 2.93Å; L396-E399 PolarHBondContact O-N 3.27Å; E399-R402 PolarHBondContact O-N 2.84Å; E399-L403 WeakPolarHBondContact O-CB 3.49Å; E399-L403 PolarHBondContact O-N 3.49Å; E399-L436 HydrophobicContact CB-CD1 4.41Å; E399-L436 HydrophobicContact CB-CD2 4.16Å; E399-L436 HydrophobicContact CG-CD1 4.37Å; E399-L436 HydrophobicContact CG-CD2 3.73Å
400A88.3Confident85.7Confident0 Ų047.7 Ų47.70%025%0.252CS..Hα-helixtrans-64.8-44.5-179.900000111.1L396 E397 R402 L403 A404 I414 L432 L436L396-A400 VanDerWaalsContact O-CB 3.24Å; L396-A400 WeakPolarHBondContact O-CB 3.44Å; L396-A400 PolarHBondContact O-N 2.9Å; E397-A400 PolarHBondContact O-N 3.12Å; A400-R402 PolarHBondContact O-N 3.26Å; A400-L403 PolarHBondContact O-N 3.43Å; A400-A404 WeakPolarHBondContact O-CB 3.46Å; A400-A404 PolarHBondContact O-N 3.03Å; A400-I414 HydrophobicContact CB-CD1 4Å; A400-I414 HydrophobicContact CB-CG1 4.17Å; A400-I414 HydrophobicContact CB-CG2 4.35Å; A400-L432 HydrophobicContact CB-CD2 4.35Å; A400-L436 HydrophobicContact CB-CD2 4.05Å; A400-L436 HydrophobicContact CB-CG 4.21Å
401L88Confident84.9Confident66 Ų6647.8 Ų47.835%0.34625%0.253SS..Hα-helixtrans-59.9-46.4174.4-77.4166.6000111.4E397 A404 S405 E411 I414E397-L401 WeakPolarHBondContact O-CB 3.46Å; E397-L401 VanDerWaalsContact O-CG 3.26Å; E397-L401 WeakPolarHBondContact O-CG 3.31Å; E397-L401 PolarHBondContact O-N 3.46Å; L401-A404 PolarHBondContact O-N 2.76Å; L401-S405 WeakPolarHBondContact O-CB 3.28Å; L401-S405 PolarHBondContact O-N 3.3Å; L401-E411 HydrophobicContact CD2-CB 3.85Å; L401-E411 HydrophobicContact CD2-CG 3.61Å; L401-I414 HydrophobicContact CB-CD1 4.13Å; L401-I414 HydrophobicContact CD2-CD1 3.42Å; L401-I414 VanDerWaalsContact CD2-CD1 3.42Å; L401-I414 HydrophobicContact CG-CD1 3.54Å
402R88.9Confident84.1Confident135 Ų13551 Ų5151%0.50926%0.261SS..Hα-helixtrans-61.1-49.5177.8-173.6-173.565.376.24.1110.8S398 E399 A400 S405 L406S398-R402 VanDerWaalsContact O-CB 3.3Å; S398-R402 WeakPolarHBondContact O-CB 3.42Å; S398-R402 PolarHBondContact O-N 2.67Å; E399-R402 PolarHBondContact O-N 2.84Å; A400-R402 PolarHBondContact O-N 3.26Å; R402-S405 PolarHBondContact O-N 2.84Å; R402-S405 PolarHBondContact O-OG 2.88Å; R402-L406 HydrophobicContact CG-CD1 4.34Å; R402-L406 VanDerWaalsContact O-CD1 3.27Å; R402-L406 WeakPolarHBondContact O-CD1 3.47Å; R402-L406 PolarHBondContact O-N 3.24Å; R402-L406 VanDerWaalsContact O-N 3.11Å
403L86.5Confident83.2Confident5 Ų555.1 Ų55.13%0.02628%0.282CS..Hα-helixtrans-68.5-38.6-177.6-169.361.5000112E399 A400 S405 L406 C407 L436 L439 N440 Y443E399-L403 WeakPolarHBondContact O-CB 3.49Å; E399-L403 PolarHBondContact O-N 3.49Å; A400-L403 PolarHBondContact O-N 3.43Å; L403-S405 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.27Å; L403-L406 WeakPolarHBondContact O-CB 3.47Å; L403-L406 PolarHBondContact O-N 2.96Å; L403-C407 PolarHBondContact O-N 3.4Å; L403-C407 PolarHBondContact O-SG 2.95Å; L403-C407 VanDerWaalsContact O-SG 3.4Å; L403-L436 HydrophobicContact CB-CD2 4.48Å; L403-L436 HydrophobicContact CD2-CD2 4.07Å; L403-L439 HydrophobicContact CB-CD1 4.44Å; L403-L439 HydrophobicContact CD2-CB 3.55Å; L403-L439 HydrophobicContact CG-CB 3.9Å; L403-N440 HydrophobicContact CD2-CB 4.39Å; L403-N440 VanDerWaalsContact CD2-OD1 3.3Å; L403-N440 WeakPolarHBondContact CD2-OD1 3.32Å; L403-Y443 HydrophobicContact CD1-CG 4.31Å
404A86.3Confident82.3Confident0 Ų055.7 Ų55.70%029%0.285CS..Hα-helixtrans-58.7-44.7172.600000111A400 L401 L406 C407 C408 V409 I414 L439A400-A404 WeakPolarHBondContact O-CB 3.46Å; A400-A404 PolarHBondContact O-N 3.03Å; L401-A404 PolarHBondContact O-N 2.76Å; A404-L406 VanDerWaalsContact C-N 3.31Å; A404-L406 PolarHBondContact O-N 3.4Å; A404-C407 CarbonylContact O-C 3.6Å; A404-C407 PolarHBondContact O-N 2.91Å; A404-C408 PolarHBondContact O-N 3.49Å; A404-C408 VanDerWaalsContact O-N 3.09Å; A404-V409 HydrophobicContact CB-CB 4.17Å; A404-V409 HydrophobicContact CB-CG1 4.31Å; A404-V409 PolarHBondContact O-N 2.93Å; A404-I414 HydrophobicContact CB-CD1 4.39Å; A404-L439 HydrophobicContact CB-CD1 4.12Å
405S84.6Confident81.5Confident74 Ų7459.6 Ų59.652%0.51730%0.298SS..Hα-helixtrans-61.2-38.1176.4790000112.7L401 R402 L403 C408L401-S405 WeakPolarHBondContact O-CB 3.28Å; L401-S405 PolarHBondContact O-N 3.3Å; R402-S405 PolarHBondContact O-N 2.84Å; R402-S405 PolarHBondContact O-OG 2.88Å; L403-S405 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.27Å; S405-C408 PolarHBondContact O-N 3.42Å
406L84.9Confident80.3Confident60 Ų6056.8 Ų56.831%0.31429%0.288SS..Hα-helixtrans-66.6-41175.4-96.369.8000111.6R402 L403 A404 C408 Y443R402-L406 HydrophobicContact CG-CD1 4.34Å; R402-L406 VanDerWaalsContact O-CD1 3.27Å; R402-L406 WeakPolarHBondContact O-CD1 3.47Å; R402-L406 PolarHBondContact O-N 3.24Å; R402-L406 VanDerWaalsContact O-N 3.11Å; L403-L406 WeakPolarHBondContact O-CB 3.47Å; L403-L406 PolarHBondContact O-N 2.96Å; A404-L406 VanDerWaalsContact C-N 3.31Å; A404-L406 PolarHBondContact O-N 3.4Å; L406-C408 PolarHBondContact O-N 2.81Å; L406-Y443 HydrophobicContact CB-CD2 4.32Å; L406-Y443 HydrophobicContact CB-CE2 4.12Å; L406-Y443 HydrophobicContact CD2-CE2 4Å; L406-Y443 HydrophobicContact CG-CE2 4.48Å
407C81.6Confident79.2Confident2 Ų262.2 Ų62.21%0.01432%0.324CS..THydrogen-bonded Turntrans-75.73.8175.4-63.60000113.3L403 A404 V409 L439 Y450L403-C407 PolarHBondContact O-N 3.4Å; L403-C407 PolarHBondContact O-SG 2.95Å; L403-C407 VanDerWaalsContact O-SG 3.4Å; A404-C407 CarbonylContact O-C 3.6Å; A404-C407 PolarHBondContact O-N 2.91Å; C407-V409 HydrophobicContact CB-CB 4.35Å; C407-V409 HydrophobicContact CB-CG2 3.75Å; C407-V409 PolarHBondContact O-N 3.44Å; C407-L439 HydrophobicContact CB-CD2 4.44Å; C407-Y450 VanDerWaalsContact C-CE1 3.44Å; C407-Y450 HydrophobicContact CB-CE1 4.38Å; C407-Y450 HydrophobicContact CB-CE2 4.16Å; C407-Y450 WeakPolarHBondContact O-CE1 3.27Å; C407-Y450 PolarHBondContact O-OH 3.29Å
408C75Confident78Confident38 Ų3862.7 Ų62.726%0.25733%0.329SS..THydrogen-bonded Turntrans56.826.1-173.5-57.10000113.5A404 S405 L406 S522A404-C408 PolarHBondContact O-N 3.49Å; A404-C408 VanDerWaalsContact O-N 3.09Å; S405-C408 PolarHBondContact O-N 3.42Å; L406-C408 PolarHBondContact O-N 2.81Å; C408-S522 VanDerWaalsContact C-OG 3.27Å; C408-S522 WeakPolarHBondContact O-CB 3.37Å; C408-S522 PolarHBondContact O-OG 2.94Å
409V75.9Confident76.6Confident24 Ų2465.3 Ų65.315%0.14534%0.337CS..  trans-85.7138-178.71720000112.3A404 C407 I413 L439 S522A404-V409 HydrophobicContact CB-CB 4.17Å; A404-V409 HydrophobicContact CB-CG1 4.31Å; A404-V409 PolarHBondContact O-N 2.93Å; C407-V409 HydrophobicContact CB-CB 4.35Å; C407-V409 HydrophobicContact CB-CG2 3.75Å; C407-V409 PolarHBondContact O-N 3.44Å; V409-I413 HydrophobicContact CG1-CB 3.97Å; V409-I413 HydrophobicContact CG1-CD1 3.26Å; V409-I413 HydrophobicContact CG1-CG1 3.52Å; V409-L439 HydrophobicContact CB-CD2 4.41Å; V409-L439 HydrophobicContact CG1-CD2 4.38Å; V409-L439 HydrophobicContact CG2-CD2 4.2Å; V409-S522 WeakPolarHBondContact CA-OG 3.49Å; V409-S522 PolarHBondContact N-OG 2.91Å
410D71.4Confident75.1Confident71 Ų7167.6 Ų67.638%0.3836%0.358SS..  trans-65.4135.5174.2-171-23.6000109.5K412 I413D410-K412 PolarHBondContact O-N 2.84Å; D410-K412 WeakPolarHBondContact OD1-CG 3.42Å; D410-K412 PolarHBondContact OD1-N 2.85Å; D410-K412 VanDerWaalsContact OD1-N 3.15Å; D410-K412 WeakPolarHBondContact OD2-CD 3.44Å; D410-K412 WeakPolarHBondContact OD2-CE 3.49Å; D410-K412 IonicContact OD2-NZ 2.67Å; D410-K412 PolarHBondContact OD2-NZ 3.1Å; D410-I413 PolarHBondContact O-N 3.24Å; D410-I413 VanDerWaalsContact O-N 3.09Å
411E71.7Confident73.8Confident126 Ų12669.9 Ų69.959%0.58937%0.37SS*.G310 helixtrans-56.5-19.3179.7-58.3178.9179.200112.6L401 I413 I414L401-E411 HydrophobicContact CD2-CB 3.85Å; L401-E411 HydrophobicContact CD2-CG 3.61Å; E411-I413 PolarHBondContact O-N 3.13Å; E411-I413 VanDerWaalsContact O-N 3.15Å; E411-I414 VanDerWaalsContact O-CB 3.27Å; E411-I414 WeakPolarHBondContact O-CB 3.22Å; E411-I414 WeakPolarHBondContact O-CG1 3.35Å; E411-I414 PolarHBondContact O-N 2.61Å
412K71.6Confident72.6Confident132 Ų13271.7 Ų71.757%0.57438%0.375SS*.G310 helixtrans-56.2-25.4173.4-68.6173.7-163.4141.20114.4D410 I414 Q415D410-K412 PolarHBondContact O-N 2.84Å; D410-K412 WeakPolarHBondContact OD1-CG 3.42Å; D410-K412 PolarHBondContact OD1-N 2.85Å; D410-K412 VanDerWaalsContact OD1-N 3.15Å; D410-K412 WeakPolarHBondContact OD2-CD 3.44Å; D410-K412 WeakPolarHBondContact OD2-CE 3.49Å; D410-K412 IonicContact OD2-NZ 2.67Å; D410-K412 PolarHBondContact OD2-NZ 3.1Å; K412-I414 PolarHBondContact O-N 3.08Å; K412-Q415 WeakPolarHBondContact O-CB 3.13Å; K412-Q415 PolarHBondContact O-N 2.81Å; K412-Q415 VanDerWaalsContact O-N 3.08Å
413I69.5Low71.6Confident87 Ų8774 Ų7445%0.44639%0.391SS..G310 helixtrans-62.6-23.8177.6-59.6-153.1000111.4V409 D410 E411 Q415 I435V409-I413 HydrophobicContact CG1-CB 3.97Å; V409-I413 HydrophobicContact CG1-CD1 3.26Å; V409-I413 HydrophobicContact CG1-CG1 3.52Å; D410-I413 PolarHBondContact O-N 3.24Å; D410-I413 VanDerWaalsContact O-N 3.09Å; E411-I413 PolarHBondContact O-N 3.13Å; E411-I413 VanDerWaalsContact O-N 3.15Å; I413-Q415 VanDerWaalsContact C-N 3.31Å; I413-I435 HydrophobicContact CG2-CG2 4.21Å; I413-I435 WeakPolarHBondContact O-CD1 3.13Å
414I69.9Low71.2Confident22 Ų2276.9 Ų76.911%0.11341%0.407CS..G310 helixtrans-78.6-18.7-179.8-54.1174.3000111.4A400 L401 A404 E411 K412 L432A400-I414 HydrophobicContact CB-CD1 4Å; A400-I414 HydrophobicContact CB-CG1 4.17Å; A400-I414 HydrophobicContact CB-CG2 4.35Å; L401-I414 HydrophobicContact CB-CD1 4.13Å; L401-I414 HydrophobicContact CD2-CD1 3.42Å; L401-I414 VanDerWaalsContact CD2-CD1 3.42Å; L401-I414 HydrophobicContact CG-CD1 3.54Å; A404-I414 HydrophobicContact CB-CD1 4.39Å; E411-I414 VanDerWaalsContact O-CB 3.27Å; E411-I414 WeakPolarHBondContact O-CB 3.22Å; E411-I414 WeakPolarHBondContact O-CG1 3.35Å; E411-I414 PolarHBondContact O-N 2.61Å; K412-I414 PolarHBondContact O-N 3.08Å; I414-L432 HydrophobicContact CG2-CD2 3.42Å; I414-L432 VanDerWaalsContact CG2-CD2 3.42Å
415Q71.7Confident70.8Confident132 Ų13279 Ų7962%0.61742%0.421SS*.SBendtrans-82.2131-176.8-60.5-179.53.300110.8K412 I413K412-Q415 WeakPolarHBondContact O-CB 3.13Å; K412-Q415 PolarHBondContact O-N 2.81Å; K412-Q415 VanDerWaalsContact O-N 3.08Å; I413-Q415 VanDerWaalsContact C-N 3.31Å
416L63Low70.8Confident21 Ų2180 Ų8011%0.1142%0.417CS..  trans-59.1139.8177-103.681000111.8N418 D421 I427 I428 H431L416-N418 VanDerWaalsContact C-N 3.3Å; L416-N418 PolarHBondContact O-N 2.98Å; L416-D421 HydrophobicContact CD2-CB 3.63Å; L416-I427 HydrophobicContact CD2-CG2 4.04Å; L416-I428 HydrophobicContact CD1-CB 4.38Å; L416-I428 HydrophobicContact CD1-CG1 4.16Å; L416-I428 HydrophobicContact CD1-CG2 4.22Å; L416-H431 HydrophobicContact CD1-CB 3.9Å; L416-H431 WeakPolarHBondContact CD1-CD2 3.39Å; L416-H431 HydrophobicContact CG-CB 4.48Å
417P65.6Low70.7Confident114 Ų11480.4 Ų80.474%0.7442%0.419SS*.SBendtrans-61.6-31.9176.5-25.234.4000114.8
418N64Low70.8Confident88 Ų8881.6 Ų81.647%0.47143%0.425SS..  trans-108.8136.6-173.7-65.8-21.5000111.6L416 D421 K422L416-N418 VanDerWaalsContact C-N 3.3Å; L416-N418 PolarHBondContact O-N 2.98Å; N418-D421 HydrophobicContact CB-CB 4.43Å; N418-D421 WeakPolarHBondContact CB-OD2 3.25Å; N418-D421 PolarHBondContact ND2-OD2 2.82Å; N418-K422 WeakPolarHBondContact O-CG 3.35Å
419D59.6Low71.3Confident131 Ų13179.8 Ų79.870%0.70141%0.413SS*.SBendtrans-70.1-30.8174.8-88.3-34.2000113.4D421 K422D419-D421 VanDerWaalsContact C-N 3.27Å; D419-D421 PolarHBondContact O-N 2.69Å; D419-K422 WeakPolarHBondContact OD1-CE 3.09Å; D419-K422 IonicContact OD1-NZ 2.82Å; D419-K422 PolarHBondContact OD1-NZ 3.15Å
420S60.2Low71.8Confident92 Ų9282.3 Ų82.364%0.64343%0.425SS*.G310 helixtrans-66-29.5-177.6520000113.5
421D60.5Low72.6Confident47 Ų4781 Ų8125%0.25142%0.417SS..G310 helixtrans-93.6-3.8-168.1-55.5-17.2000111.6L416 N418 D419 Q423 D424 I427L416-D421 HydrophobicContact CD2-CB 3.63Å; N418-D421 HydrophobicContact CB-CB 4.43Å; N418-D421 WeakPolarHBondContact CB-OD2 3.25Å; N418-D421 PolarHBondContact ND2-OD2 2.82Å; D419-D421 VanDerWaalsContact C-N 3.27Å; D419-D421 PolarHBondContact O-N 2.69Å; D421-Q423 PolarHBondContact O-N 3.27Å; D421-D424 PolarHBondContact O-N 3.03Å; D421-I427 HydrophobicContact CB-CD1 4.3Å; D421-I427 HydrophobicContact CB-CG2 4.21Å
422K63.1Low73.3Confident104 Ų10475 Ų7545%0.45239%0.389SS..G310 helixtrans-69.7-11.3-175.9-66.2-177.4175.9178.70114.8N418 D419 I428N418-K422 WeakPolarHBondContact O-CG 3.35Å; D419-K422 WeakPolarHBondContact OD1-CE 3.09Å; D419-K422 IonicContact OD1-NZ 2.82Å; D419-K422 PolarHBondContact OD1-NZ 3.15Å; K422-I428 WeakPolarHBondContact O-CD1 3.41Å
423Q66.5Low74.1Confident183 Ų18370.8 Ų70.886%0.85537%0.371SS*.G310 helixtrans-98.6-16.4-179.9-82.8176.1-49.600113.3D421 P425D421-Q423 PolarHBondContact O-N 3.27Å; Q423-P425 WeakPolarHBondContact O-CD 3.4Å
424D79.2Confident75.1Confident66 Ų6670.2 Ų70.235%0.35337%0.372SS..  trans-89.6107.5-179.3-168.1-24.3000110.1D421 E426 I427 I428D421-D424 PolarHBondContact O-N 3.03Å; D424-E426 PolarHBondContact O-N 2.89Å; D424-E426 WeakPolarHBondContact OD1-CB 3.43Å; D424-E426 PolarHBondContact OD1-N 2.66Å; D424-I427 HydrophobicContact CB-CB 4.21Å; D424-I427 HydrophobicContact CB-CD1 3.76Å; D424-I427 HydrophobicContact CB-CG1 3.83Å; D424-I427 PolarHBondContact O-N 3.18Å; D424-I428 WeakPolarHBondContact O-CG1 3.47Å; D424-I428 PolarHBondContact O-N 2.9Å
425P77.6Confident75.9Confident45 Ų4569.6 Ų69.629%0.29237%0.369SS..Hα-helixtrans-62.4-26.5-178.928.7-36.8000112.7M389 Q423 I429M389-P425 HydrophobicContact CE-CB 3.68Å; M389-P425 HydrophobicContact CE-CG 3.44Å; M389-P425 VanDerWaalsContact CE-CG 3.44Å; Q423-P425 WeakPolarHBondContact O-CD 3.4Å; P425-I429 WeakPolarHBondContact O-CB 3.21Å; P425-I429 WeakPolarHBondContact O-CD1 3.4Å; P425-I429 WeakPolarHBondContact O-CG1 2.95Å; P425-I429 PolarHBondContact O-N 3.21Å
426E83.6Confident76.7Confident96 Ų9663.3 Ų63.345%0.44934%0.339SS..Hα-helixtrans-67.1-44.1177-50.7-160.6176.400111.5W386 M389 D424 I429 N430W386-E426 HydrophobicContact CE3-CG 4.29Å; W386-E426 HydrophobicContact CH2-CB 3.89Å; W386-E426 HydrophobicContact CH2-CG 3.87Å; W386-E426 HydrophobicContact CZ3-CB 3.83Å; W386-E426 HydrophobicContact CZ3-CG 3.46Å; W386-E426 VanDerWaalsContact CZ3-CG 3.46Å; M389-E426 HydrophobicContact CE-CG 3.79Å; D424-E426 PolarHBondContact O-N 2.89Å; D424-E426 WeakPolarHBondContact OD1-CB 3.43Å; D424-E426 PolarHBondContact OD1-N 2.66Å; E426-I429 PolarHBondContact O-N 3.39Å; E426-N430 PolarHBondContact O-N 3.01Å; E426-N430 PolarHBondContact O-ND2 2.84Å
427I83.5Confident78Confident67 Ų6767.7 Ų67.734%0.34436%0.359SS..Hα-helixtrans-64.9-43.3179.4-57.1179000109.9L416 D421 D424 N430 H431L416-I427 HydrophobicContact CD2-CG2 4.04Å; D421-I427 HydrophobicContact CB-CD1 4.3Å; D421-I427 HydrophobicContact CB-CG2 4.21Å; D424-I427 HydrophobicContact CB-CB 4.21Å; D424-I427 HydrophobicContact CB-CD1 3.76Å; D424-I427 HydrophobicContact CB-CG1 3.83Å; D424-I427 PolarHBondContact O-N 3.18Å; I427-N430 PolarHBondContact O-N 3.36Å; I427-H431 WeakPolarHBondContact O-CB 3.39Å; I427-H431 PolarHBondContact O-N 3.16Å
428I83.9Confident79.1Confident27 Ų2767.5 Ų67.514%0.13835%0.349CS..Hα-helixtrans-63.6-44.6179.1-55.8164.8000110.5L393 L416 K422 D424 N430 H431 L432L393-I428 HydrophobicContact CD1-CB 4.1Å; L393-I428 HydrophobicContact CD1-CG2 3.48Å; L393-I428 VanDerWaalsContact CD1-CG2 3.48Å; L416-I428 HydrophobicContact CD1-CB 4.38Å; L416-I428 HydrophobicContact CD1-CG1 4.16Å; L416-I428 HydrophobicContact CD1-CG2 4.22Å; K422-I428 WeakPolarHBondContact O-CD1 3.41Å; D424-I428 WeakPolarHBondContact O-CG1 3.47Å; D424-I428 PolarHBondContact O-N 2.9Å; I428-N430 PolarHBondContact O-N 3.36Å; I428-H431 WeakPolarHBondContact O-CB 3.19Å; I428-H431 PolarHBondContact O-N 2.97Å; I428-L432 HydrophobicContact CG2-CD1 3.97Å; I428-L432 HydrophobicContact CG2-CG 4.25Å; I428-L432 WeakPolarHBondContact O-CB 2.95Å; I428-L432 VanDerWaalsContact O-CG 3.3Å; I428-L432 WeakPolarHBondContact O-CG 2.89Å; I428-L432 PolarHBondContact O-N 3.04Å
429I86.3Confident80.2Confident0 Ų063.8 Ų63.80%033%0.328CS..Hα-helixtrans-58.7-50.3177.3-75.4167.5000111.1K385 W386 M389 Y392 L393 L396 P425 E426 H431 L432 E433K385-I429 VanDerWaalsContact CE-CG2 3.43Å; W386-I429 HydrophobicContact CZ3-CD1 4.47Å; M389-I429 HydrophobicContact CB-CD1 4.28Å; M389-I429 HydrophobicContact CE-CD1 4.29Å; M389-I429 HydrophobicContact CG-CD1 4.43Å; Y392-I429 HydrophobicContact CD1-CD1 4.11Å; Y392-I429 HydrophobicContact CD1-CG1 4.27Å; Y392-I429 HydrophobicContact CD1-CG2 4.23Å; Y392-I429 HydrophobicContact CE1-CG2 3.84Å; L393-I429 HydrophobicContact CB-CG1 4.33Å; L393-I429 HydrophobicContact CD1-CG1 4.08Å; L396-I429 HydrophobicContact CD1-CB 4.3Å; L396-I429 HydrophobicContact CD1-CG1 4.18Å; L396-I429 HydrophobicContact CD1-CG2 3.92Å; P425-I429 WeakPolarHBondContact O-CB 3.21Å; P425-I429 WeakPolarHBondContact O-CD1 3.4Å; P425-I429 WeakPolarHBondContact O-CG1 2.95Å; P425-I429 PolarHBondContact O-N 3.21Å; E426-I429 PolarHBondContact O-N 3.39Å; I429-H431 VanDerWaalsContact C-N 3.29Å; I429-H431 PolarHBondContact O-N 3.34Å; I429-L432 PolarHBondContact O-N 3.46Å; I429-E433 HydrophobicContact CG2-CG 4.46Å; I429-E433 WeakPolarHBondContact O-CG 3.29Å; I429-E433 PolarHBondContact O-N 3.12Å
430N86.3Confident81.6Confident78 Ų7860.1 Ų60.142%0.41731%0.309SS..Hα-helixtrans-61.4-39179.9-73.1-43.9000111.9E426 I427 I428 T434E426-N430 PolarHBondContact O-N 3.01Å; E426-N430 PolarHBondContact O-ND2 2.84Å; I427-N430 PolarHBondContact O-N 3.36Å; I428-N430 PolarHBondContact O-N 3.36Å; N430-T434 WeakPolarHBondContact O-CB 3.45Å; N430-T434 PolarHBondContact O-N 3.31Å; N430-T434 PolarHBondContact O-OG1 3.44Å
431H86.6Confident82.9Confident43 Ų4362.1 Ų62.120%0.19931%0.308CS..Hα-helixtrans-63.1-48.5175.2176.672000112L416 I427 I428 I429 T434 I435L416-H431 HydrophobicContact CD1-CB 3.9Å; L416-H431 WeakPolarHBondContact CD1-CD2 3.39Å; L416-H431 HydrophobicContact CG-CB 4.48Å; I427-H431 WeakPolarHBondContact O-CB 3.39Å; I427-H431 PolarHBondContact O-N 3.16Å; I428-H431 WeakPolarHBondContact O-CB 3.19Å; I428-H431 PolarHBondContact O-N 2.97Å; I429-H431 VanDerWaalsContact C-N 3.29Å; I429-H431 PolarHBondContact O-N 3.34Å; H431-T434 WeakPolarHBondContact O-CB 3.33Å; H431-T434 PolarHBondContact O-N 3.28Å; H431-I435 VanDerWaalsContact CD2-CD1 3.47Å; H431-I435 WeakPolarHBondContact CD2-CD1 3.17Å; H431-I435 WeakPolarHBondContact CE1-CD1 3.44Å; H431-I435 WeakPolarHBondContact NE2-CD1 3.43Å; H431-I435 WeakPolarHBondContact O-CG1 3.48Å; H431-I435 PolarHBondContact O-N 3.28Å
432L87.3Confident84.1Confident1 Ų162.3 Ų62.31%0.00531%0.311CS..Hα-helixtrans-64.6-40.5178.9-69.2176.3000112.3L393 L396 E397 A400 I414 I428 I429 T434 I435 L436L393-L432 HydrophobicContact CD1-CD1 3.54Å; L396-L432 HydrophobicContact CB-CB 4.19Å; L396-L432 HydrophobicContact CB-CD1 3.86Å; L396-L432 HydrophobicContact CD1-CB 4.31Å; E397-L432 HydrophobicContact CG-CD1 3.72Å; A400-L432 HydrophobicContact CB-CD2 4.35Å; I414-L432 HydrophobicContact CG2-CD2 3.42Å; I414-L432 VanDerWaalsContact CG2-CD2 3.42Å; I428-L432 HydrophobicContact CG2-CD1 3.97Å; I428-L432 HydrophobicContact CG2-CG 4.25Å; I428-L432 WeakPolarHBondContact O-CB 2.95Å; I428-L432 VanDerWaalsContact O-CG 3.3Å; I428-L432 WeakPolarHBondContact O-CG 2.89Å; I428-L432 PolarHBondContact O-N 3.04Å; I429-L432 PolarHBondContact O-N 3.46Å; L432-T434 VanDerWaalsContact C-N 3.32Å; L432-T434 PolarHBondContact O-N 2.89Å; L432-I435 PolarHBondContact O-N 3.04Å; L432-L436 WeakPolarHBondContact O-CB 3.35Å; L432-L436 VanDerWaalsContact O-CG 3.3Å; L432-L436 WeakPolarHBondContact O-CG 3.49Å; L432-L436 PolarHBondContact O-N 3.25Å
433E88.8Confident85.3Confident42 Ų4259.4 Ų59.420%0.19630%0.297CS..Hα-helixtrans-60.9-42.2174.5-74.3177.8168.300111.3R348 K385 Y392 L396 I429 L436 E437R348-E433 IonicContact NH1-OE1 2.74Å; K385-E433 VanDerWaalsContact NZ-CD 3.25Å; K385-E433 IonicContact NZ-OE1 3.76Å; K385-E433 PolarHBondContact NZ-OE1 3.33Å; K385-E433 IonicContact NZ-OE2 2.8Å; K385-E433 PolarHBondContact NZ-OE2 3.09Å; Y392-E433 WeakPolarHBondContact CE1-OE1 3.47Å; Y392-E433 PolarHBondContact OH-OE1 2.87Å; L396-E433 HydrophobicContact CD1-CG 4.11Å; L396-E433 HydrophobicContact CD2-CG 4.11Å; I429-E433 HydrophobicContact CG2-CG 4.46Å; I429-E433 WeakPolarHBondContact O-CG 3.29Å; I429-E433 PolarHBondContact O-N 3.12Å; E433-L436 PolarHBondContact O-N 3Å; E433-E437 PolarHBondContact O-N 3.39Å
434T89.1Confident86.3Confident76 Ų7659.7 Ų59.747%0.46629%0.292SS..Hα-helixtrans-64.4-42.9176.1-590000111.9N430 H431 L432 E437 Q438N430-T434 WeakPolarHBondContact O-CB 3.45Å; N430-T434 PolarHBondContact O-N 3.31Å; N430-T434 PolarHBondContact O-OG1 3.44Å; H431-T434 WeakPolarHBondContact O-CB 3.33Å; H431-T434 PolarHBondContact O-N 3.28Å; L432-T434 VanDerWaalsContact C-N 3.32Å; L432-T434 PolarHBondContact O-N 2.89Å; T434-E437 PolarHBondContact O-N 3.32Å; T434-Q438 WeakPolarHBondContact O-CG 2.91Å; T434-Q438 PolarHBondContact O-N 3.37Å
435I87.9Confident86.6Confident9 Ų961.1 Ų61.15%0.04630%0.299CS..Hα-helixtrans-64.9-44176.4-73.7164.4000110.9I413 H431 L432 E437 Q438 L439I413-I435 HydrophobicContact CG2-CG2 4.21Å; I413-I435 WeakPolarHBondContact O-CD1 3.13Å; H431-I435 VanDerWaalsContact CD2-CD1 3.47Å; H431-I435 WeakPolarHBondContact CD2-CD1 3.17Å; H431-I435 WeakPolarHBondContact CE1-CD1 3.44Å; H431-I435 WeakPolarHBondContact NE2-CD1 3.43Å; H431-I435 WeakPolarHBondContact O-CG1 3.48Å; H431-I435 PolarHBondContact O-N 3.28Å; L432-I435 PolarHBondContact O-N 3.04Å; I435-E437 VanDerWaalsContact C-N 3.26Å; I435-E437 PolarHBondContact O-N 3.1Å; I435-Q438 PolarHBondContact O-N 3.04Å; I435-L439 HydrophobicContact CG2-CD1 3.6Å; I435-L439 HydrophobicContact CG2-CG 3.92Å; I435-L439 VanDerWaalsContact O-CB 3.31Å; I435-L439 WeakPolarHBondContact O-CB 3.45Å; I435-L439 VanDerWaalsContact O-CG 3.29Å; I435-L439 WeakPolarHBondContact O-CG 3.48Å; I435-L439 PolarHBondContact O-N 2.86Å
436L89.2Confident86.9Confident0 Ų060.7 Ų60.70%029%0.292CS..Hα-helixtrans-59.4-39.9177.5-79.9166.8000111.4L396 E399 A400 L403 L432 E433 N440L396-L436 HydrophobicContact CD2-CD1 3.44Å; L396-L436 VanDerWaalsContact CD2-CD1 3.44Å; E399-L436 HydrophobicContact CB-CD1 4.41Å; E399-L436 HydrophobicContact CB-CD2 4.16Å; E399-L436 HydrophobicContact CG-CD1 4.37Å; E399-L436 HydrophobicContact CG-CD2 3.73Å; A400-L436 HydrophobicContact CB-CD2 4.05Å; A400-L436 HydrophobicContact CB-CG 4.21Å; L403-L436 HydrophobicContact CB-CD2 4.48Å; L403-L436 HydrophobicContact CD2-CD2 4.07Å; L432-L436 WeakPolarHBondContact O-CB 3.35Å; L432-L436 VanDerWaalsContact O-CG 3.3Å; L432-L436 WeakPolarHBondContact O-CG 3.49Å; L432-L436 PolarHBondContact O-N 3.25Å; E433-L436 PolarHBondContact O-N 3Å; L436-N440 VanDerWaalsContact O-CB 3.27Å; L436-N440 WeakPolarHBondContact O-CB 3.13Å; L436-N440 PolarHBondContact O-N 3.49Å; L436-N440 PolarHBondContact O-ND2 2.7Å
437E89.3Confident87.1Confident113 Ų11362.2 Ų62.253%0.52829%0.294SS..Hα-helixtrans-62.6-49174.6-172.856.7-146.800111.5E433 T434 I435 L439 N440 Q441E433-E437 PolarHBondContact O-N 3.39Å; T434-E437 PolarHBondContact O-N 3.32Å; I435-E437 VanDerWaalsContact C-N 3.26Å; I435-E437 PolarHBondContact O-N 3.1Å; E437-L439 PolarHBondContact O-N 3.33Å; E437-N440 PolarHBondContact O-N 2.85Å; E437-Q441 WeakPolarHBondContact O-CB 3.25Å; E437-Q441 PolarHBondContact O-N 2.97Å
438Q88.6Confident87.4Confident110 Ų11063 Ų6351%0.51430%0.303SS..Hα-helixtrans-61.9-41.9177.4-69.1176.12800112.6T434 I435 Q441 T442T434-Q438 WeakPolarHBondContact O-CG 2.91Å; T434-Q438 PolarHBondContact O-N 3.37Å; I435-Q438 PolarHBondContact O-N 3.04Å; Q438-Q441 PolarHBondContact O-N 2.71Å; Q438-T442 WeakPolarHBondContact O-CB 3.39Å; Q438-T442 PolarHBondContact O-N 2.76Å; Q438-T442 PolarHBondContact O-OG1 2.89Å
439L87Confident87.6Confident9 Ų961.8 Ų61.85%0.04730%0.297CS..Hα-helixtrans-67-38.8176.9-74.2178.6000111.2L403 A404 C407 V409 I435 E437 T442 Y443L403-L439 HydrophobicContact CB-CD1 4.44Å; L403-L439 HydrophobicContact CD2-CB 3.55Å; L403-L439 HydrophobicContact CG-CB 3.9Å; A404-L439 HydrophobicContact CB-CD1 4.12Å; C407-L439 HydrophobicContact CB-CD2 4.44Å; V409-L439 HydrophobicContact CB-CD2 4.41Å; V409-L439 HydrophobicContact CG1-CD2 4.38Å; V409-L439 HydrophobicContact CG2-CD2 4.2Å; I435-L439 HydrophobicContact CG2-CD1 3.6Å; I435-L439 HydrophobicContact CG2-CG 3.92Å; I435-L439 VanDerWaalsContact O-CB 3.31Å; I435-L439 WeakPolarHBondContact O-CB 3.45Å; I435-L439 VanDerWaalsContact O-CG 3.29Å; I435-L439 WeakPolarHBondContact O-CG 3.48Å; I435-L439 PolarHBondContact O-N 2.86Å; E437-L439 PolarHBondContact O-N 3.33Å; L439-T442 PolarHBondContact O-N 2.81Å; L439-Y443 VanDerWaalsContact O-CB 3.23Å; L439-Y443 WeakPolarHBondContact O-CB 3.43Å; L439-Y443 PolarHBondContact O-N 3.04Å
440N89.4Confident87.7Confident54 Ų5462.6 Ų62.629%0.28930%0.3SS..Hα-helixtrans-65.4-41.9174.9-85.5-43.8000111.2L403 L436 E437 T442 Y443 Y444L403-N440 HydrophobicContact CD2-CB 4.39Å; L403-N440 VanDerWaalsContact CD2-OD1 3.3Å; L403-N440 WeakPolarHBondContact CD2-OD1 3.32Å; L436-N440 VanDerWaalsContact O-CB 3.27Å; L436-N440 WeakPolarHBondContact O-CB 3.13Å; L436-N440 PolarHBondContact O-N 3.49Å; L436-N440 PolarHBondContact O-ND2 2.7Å; E437-N440 PolarHBondContact O-N 2.85Å; N440-T442 VanDerWaalsContact C-N 3.35Å; N440-Y443 PolarHBondContact O-N 3.37Å; N440-Y444 VanDerWaalsContact O-CB 3.28Å; N440-Y444 WeakPolarHBondContact O-CB 3.21Å; N440-Y444 PolarHBondContact O-N 3.27Å
441Q88.1Confident88Confident135 Ų13562.7 Ų62.763%0.63130%0.298SS*.Hα-helixtrans-64.1-42.3176.6-164.3173.130.400111.5E437 Q438 Y444 L445E437-Q441 WeakPolarHBondContact O-CB 3.25Å; E437-Q441 PolarHBondContact O-N 2.97Å; Q438-Q441 PolarHBondContact O-N 2.71Å; Q441-Y444 PolarHBondContact O-N 3.41Å; Q441-L445 WeakPolarHBondContact O-CB 3.36Å; Q441-L445 PolarHBondContact O-N 2.99Å
442T85.2Confident88.2Confident50 Ų5062.2 Ų62.231%0.30730%0.299SS..Hα-helixtrans-64.4-48174.5-54.10000110.6Q438 L439 N440 Y444 L445 Y446 Y450Q438-T442 WeakPolarHBondContact O-CB 3.39Å; Q438-T442 PolarHBondContact O-N 2.76Å; Q438-T442 PolarHBondContact O-OG1 2.89Å; L439-T442 PolarHBondContact O-N 2.81Å; N440-T442 VanDerWaalsContact C-N 3.35Å; T442-Y444 VanDerWaalsContact C-N 3.32Å; T442-Y444 PolarHBondContact O-N 3.42Å; T442-L445 PolarHBondContact O-N 3.3Å; T442-Y446 HydrophobicContact CG2-CD2 3.94Å; T442-Y446 HydrophobicContact CG2-CE2 4.27Å; T442-Y446 VanDerWaalsContact O-CD2 3.31Å; T442-Y446 WeakPolarHBondContact O-CD2 3.49Å; T442-Y446 PolarHBondContact O-N 3.35Å; T442-Y450 HydrophobicContact CG2-CE2 4.45Å
443Y87.7Confident88.2Confident43 Ų4362.3 Ų62.317%0.16930%0.3CS..Hα-helixtrans-57.6-45.9177.3-175.4-99.9000111.5L403 L406 L439 N440 L445 Y446 R447 Y450L403-Y443 HydrophobicContact CD1-CG 4.31Å; L406-Y443 HydrophobicContact CB-CD2 4.32Å; L406-Y443 HydrophobicContact CB-CE2 4.12Å; L406-Y443 HydrophobicContact CD2-CE2 4Å; L406-Y443 HydrophobicContact CG-CE2 4.48Å; L439-Y443 VanDerWaalsContact O-CB 3.23Å; L439-Y443 WeakPolarHBondContact O-CB 3.43Å; L439-Y443 PolarHBondContact O-N 3.04Å; N440-Y443 PolarHBondContact O-N 3.37Å; Y443-L445 PolarHBondContact O-N 2.85Å; Y443-Y446 CarbonylContact O-C 3.58Å; Y443-Y446 PolarHBondContact O-N 2.77Å; Y443-R447 HydrophobicContact CE1-CB 4.47Å; Y443-R447 HydrophobicContact CE1-CG 4.01Å; Y443-R447 WeakPolarHBondContact O-CA 3.43Å; Y443-R447 VanDerWaalsContact O-CB 3.27Å; Y443-R447 WeakPolarHBondContact O-CB 3.12Å; Y443-R447 PolarHBondContact O-N 3.25Å; Y443-Y450 AromaticContact CD2-CD2 3.74Å; Y443-Y450 HydrophobicContact CD2-CD2 3.74Å; Y443-Y450 HydrophobicContact CD2-CE2 4.46Å; Y443-Y450 HydrophobicContact CD2-CG 4.39Å; Y443-Y450 HydrophobicContact CE2-CD2 4.25Å
444Y87.3Confident88.2Confident189 Ų18963 Ų6374%0.74131%0.312SS*.Hα-helixtrans-61-44.4178.6179-98.5000111.9N440 Q441 T442 Y446N440-Y444 VanDerWaalsContact O-CB 3.28Å; N440-Y444 WeakPolarHBondContact O-CB 3.21Å; N440-Y444 PolarHBondContact O-N 3.27Å; Q441-Y444 PolarHBondContact O-N 3.41Å; T442-Y444 VanDerWaalsContact C-N 3.32Å; T442-Y444 PolarHBondContact O-N 3.42Å; Y444-Y446 VanDerWaalsContact C-N 3.34Å; Y444-Y446 PolarHBondContact O-N 2.86Å
445L85.2Confident88.4Confident96 Ų9662.7 Ų62.750%0.50331%0.31SS..Hα-helixtrans-64.4-37.2179.6-175.662.4000112.6Q441 T442 Y443 Y511Q441-L445 WeakPolarHBondContact O-CB 3.36Å; Q441-L445 PolarHBondContact O-N 2.99Å; T442-L445 PolarHBondContact O-N 3.3Å; Y443-L445 PolarHBondContact O-N 2.85Å; L445-Y511 HydrophobicContact CG-CE2 4.46Å
446Y84.1Confident88.6Confident37 Ų3762.2 Ų62.215%0.14531%0.308CS..THydrogen-bonded Turntrans-110.918.2-174.1-66.9-88.6000113.7T442 Y443 Y444 V449 Y450 Y511 F519T442-Y446 HydrophobicContact CG2-CD2 3.94Å; T442-Y446 HydrophobicContact CG2-CE2 4.27Å; T442-Y446 VanDerWaalsContact O-CD2 3.31Å; T442-Y446 WeakPolarHBondContact O-CD2 3.49Å; T442-Y446 PolarHBondContact O-N 3.35Å; Y443-Y446 CarbonylContact O-C 3.58Å; Y443-Y446 PolarHBondContact O-N 2.77Å; Y444-Y446 VanDerWaalsContact C-N 3.34Å; Y444-Y446 PolarHBondContact O-N 2.86Å; Y446-V449 WeakPolarHBondContact O-CB 3.16Å; Y446-V449 PolarHBondContact O-N 3.31Å; Y446-Y450 HydrophobicContact CG-CE2 4.24Å; Y446-Y450 WeakPolarHBondContact O-CD2 3.17Å; Y446-Y450 PolarHBondContact O-N 2.96Å; Y446-Y511 HydrophobicContact CD1-CD1 4.11Å; Y446-Y511 HydrophobicContact CD1-CD2 4.29Å; Y446-Y511 AromaticContact CD1-CE1 3.67Å; Y446-Y511 HydrophobicContact CD1-CE1 3.67Å; Y446-Y511 AromaticContact CD1-CE2 3.82Å; Y446-Y511 HydrophobicContact CD1-CE2 3.82Å; Y446-Y511 HydrophobicContact CD1-CG 4.41Å; Y446-Y511 AromaticContact CD1-CZ 3.49Å; Y446-Y511 VanDerWaalsContact CD1-CZ 3.49Å; Y446-Y511 AromaticContact CE1-CD1 3.87Å; Y446-Y511 HydrophobicContact CE1-CD1 3.87Å; Y446-Y511 AromaticContact CE1-CE1 3.06Å; Y446-Y511 HydrophobicContact CE1-CE1 3.06Å; Y446-Y511 AromaticContact CE1-CE2 3.87Å; Y446-Y511 HydrophobicContact CE1-CE2 3.87Å; Y446-Y511 AromaticContact CE1-CZ 3.04Å; Y446-Y511 WeakPolarHBondContact CE1-OH 3.38Å; Y446-Y511 HydrophobicContact CG-CE2 4.46Å; Y446-Y511 AromaticContact CZ-CE1 3.85Å; Y446-Y511 AromaticContact CZ-CZ 3.53Å; Y446-Y511 PolarHBondContact OH-OH 2.99Å; Y446-F519 AromaticContact CD1-CD2 3.66Å; Y446-F519 HydrophobicContact CD1-CD2 3.66Å; Y446-F519 AromaticContact CD1-CE2 3.95Å; Y446-F519 HydrophobicContact CD1-CE2 3.95Å; Y446-F519 AromaticContact CE1-CD2 3.83Å; Y446-F519 HydrophobicContact CE1-CD2 3.83Å; Y446-F519 HydrophobicContact CE1-CE2 4.45Å; Y446-F519 HydrophobicContact CG-CE2 4.48Å
447R89Confident88.6Confident127 Ų12765.2 Ų65.248%0.47932%0.322SS..Hα-helixtrans-52.9-50.7-169.3178.6178.7-179.4157.63.9114.7Y443 V449 Y450 E451Y443-R447 HydrophobicContact CE1-CB 4.47Å; Y443-R447 HydrophobicContact CE1-CG 4.01Å; Y443-R447 WeakPolarHBondContact O-CA 3.43Å; Y443-R447 VanDerWaalsContact O-CB 3.27Å; Y443-R447 WeakPolarHBondContact O-CB 3.12Å; Y443-R447 PolarHBondContact O-N 3.25Å; R447-V449 PolarHBondContact O-N 2.93Å; R447-Y450 PolarHBondContact O-N 2.9Å; R447-E451 HydrophobicContact CG-CG 4.33Å; R447-E451 WeakPolarHBondContact CG-OE1 3.4Å; R447-E451 IonicContact CZ-OE1 2.98Å; R447-E451 IonicContact NE-OE1 3.88Å; R447-E451 PolarHBondContact NE-OE1 2.97Å; R447-E451 IonicContact NH2-OE1 2.89Å; R447-E451 PolarHBondContact NH2-OE1 2.84Å; R447-E451 WeakPolarHBondContact O-CG 3.1Å; R447-E451 PolarHBondContact O-N 2.99Å
448P88.7Confident88.7Confident83 Ų8362.7 Ų62.754%0.53932%0.317SS..Hα-helixtrans-62-34.4-179.2-22.234.6000112.7C452P448-C452 PolarHBondContact O-N 2.94Å; P448-C452 VanDerWaalsContact O-N 3.12Å; P448-C452 PolarHBondContact O-SG 2.94Å; P448-C452 VanDerWaalsContact O-SG 3.35Å
449V89Confident88.9Confident2 Ų257.7 Ų57.71%0.01229%0.294CS..Hα-helixtrans-66.9-49.8177.8174.80000109.9Y446 R447 E451 C452 I453 A507 I508 Y511 F519Y446-V449 WeakPolarHBondContact O-CB 3.16Å; Y446-V449 PolarHBondContact O-N 3.31Å; R447-V449 PolarHBondContact O-N 2.93Å; V449-E451 VanDerWaalsContact C-N 3.35Å; V449-E451 PolarHBondContact O-N 3.44Å; V449-C452 PolarHBondContact O-N 2.71Å; V449-I453 HydrophobicContact CG1-CD1 3.65Å; V449-I453 HydrophobicContact CG1-CG1 4.4Å; V449-I453 VanDerWaalsContact O-CG1 3.27Å; V449-I453 WeakPolarHBondContact O-CG1 3.37Å; V449-I453 PolarHBondContact O-N 3.41Å; V449-A507 HydrophobicContact CG2-CB 4.44Å; V449-I508 HydrophobicContact CG1-CD1 4.3Å; V449-I508 HydrophobicContact CG1-CG1 3.54Å; V449-I508 HydrophobicContact CG2-CG1 4.29Å; V449-Y511 HydrophobicContact CG2-CG 4.37Å; V449-F519 HydrophobicContact CB-CE2 4.49Å; V449-F519 HydrophobicContact CG1-CD1 4.13Å; V449-F519 HydrophobicContact CG1-CD2 3.95Å; V449-F519 HydrophobicContact CG1-CE1 3.8Å; V449-F519 HydrophobicContact CG1-CE2 3.61Å; V449-F519 HydrophobicContact CG1-CG 4.2Å; V449-F519 HydrophobicContact CG1-CZ 3.52Å
450Y88.5Confident89.1Confident17 Ų1758.2 Ų58.27%0.06730%0.295CS..Hα-helixtrans-63.1-39.1179-67.4-46.2000112.9C407 T442 Y443 Y446 R447 I453 A454 F519C407-Y450 VanDerWaalsContact C-CE1 3.44Å; C407-Y450 HydrophobicContact CB-CE1 4.38Å; C407-Y450 HydrophobicContact CB-CE2 4.16Å; C407-Y450 WeakPolarHBondContact O-CE1 3.27Å; C407-Y450 PolarHBondContact O-OH 3.29Å; T442-Y450 HydrophobicContact CG2-CE2 4.45Å; Y443-Y450 AromaticContact CD2-CD2 3.74Å; Y443-Y450 HydrophobicContact CD2-CD2 3.74Å; Y443-Y450 HydrophobicContact CD2-CE2 4.46Å; Y443-Y450 HydrophobicContact CD2-CG 4.39Å; Y443-Y450 HydrophobicContact CE2-CD2 4.25Å; Y446-Y450 HydrophobicContact CG-CE2 4.24Å; Y446-Y450 WeakPolarHBondContact O-CD2 3.17Å; Y446-Y450 PolarHBondContact O-N 2.96Å; R447-Y450 PolarHBondContact O-N 2.9Å; Y450-I453 PolarHBondContact O-N 3.06Å; Y450-A454 WeakPolarHBondContact O-CB 3.18Å; Y450-A454 PolarHBondContact O-N 3.45Å; Y450-F519 HydrophobicContact CD1-CZ 4.29Å; Y450-F519 AromaticContact CE1-CE2 3.86Å; Y450-F519 HydrophobicContact CE1-CE2 3.86Å; Y450-F519 AromaticContact CE1-CZ 3.81Å; Y450-F519 HydrophobicContact CE1-CZ 3.81Å
451E91.2Very high89.1Confident81 Ų8162.3 Ų62.338%0.37931%0.31SS..Hα-helixtrans-62.5-45.3176-73.3178.7-178.300111.4R447 V449 A454 V455R447-E451 HydrophobicContact CG-CG 4.33Å; R447-E451 WeakPolarHBondContact CG-OE1 3.4Å; R447-E451 IonicContact CZ-OE1 2.98Å; R447-E451 IonicContact NE-OE1 3.88Å; R447-E451 PolarHBondContact NE-OE1 2.97Å; R447-E451 IonicContact NH2-OE1 2.89Å; R447-E451 PolarHBondContact NH2-OE1 2.84Å; R447-E451 WeakPolarHBondContact O-CG 3.1Å; R447-E451 PolarHBondContact O-N 2.99Å; V449-E451 VanDerWaalsContact C-N 3.35Å; V449-E451 PolarHBondContact O-N 3.44Å; E451-A454 PolarHBondContact O-N 2.87Å; E451-V455 WeakPolarHBondContact O-CG2 3.43Å; E451-V455 PolarHBondContact O-N 3.46Å; E451-V455 VanDerWaalsContact O-N 3.11Å
452C91.9Very high89.4Confident33 Ų3360.2 Ų60.222%0.22330%0.301CS..Hα-helixtrans-64.6-41.5176-70.20000112.6P448 V449 A454 V455 Y456 A504 A507P448-C452 PolarHBondContact O-N 2.94Å; P448-C452 VanDerWaalsContact O-N 3.12Å; P448-C452 PolarHBondContact O-SG 2.94Å; P448-C452 VanDerWaalsContact O-SG 3.35Å; V449-C452 PolarHBondContact O-N 2.71Å; C452-A454 VanDerWaalsContact C-N 3.33Å; C452-A454 PolarHBondContact O-N 3.48Å; C452-V455 PolarHBondContact O-N 2.86Å; C452-Y456 PolarHBondContact O-N 2.93Å; C452-A504 HydrophobicContact CB-CB 3.83Å; C452-A507 HydrophobicContact CB-CB 4.28Å
453I87.8Confident89.6Confident2 Ų257.8 Ų57.81%0.0129%0.286CS..Hα-helixtrans-62.8-42176.3-67.5168.9000110.4V449 Y450 V455 Y456 E457 A504 F519 F527V449-I453 HydrophobicContact CG1-CD1 3.65Å; V449-I453 HydrophobicContact CG1-CG1 4.4Å; V449-I453 VanDerWaalsContact O-CG1 3.27Å; V449-I453 WeakPolarHBondContact O-CG1 3.37Å; V449-I453 PolarHBondContact O-N 3.41Å; Y450-I453 PolarHBondContact O-N 3.06Å; I453-V455 VanDerWaalsContact C-N 3.32Å; I453-V455 PolarHBondContact O-N 3.23Å; I453-Y456 WeakPolarHBondContact O-CB 3.46Å; I453-Y456 PolarHBondContact O-N 3.16Å; I453-E457 HydrophobicContact CG2-CG 4.18Å; I453-E457 WeakPolarHBondContact O-CG 3.49Å; I453-E457 PolarHBondContact O-N 3.38Å; I453-A504 HydrophobicContact CG1-CB 4.38Å; I453-F519 HydrophobicContact CD1-CE1 3.43Å; I453-F519 VanDerWaalsContact CD1-CE1 3.43Å; I453-F519 HydrophobicContact CD1-CZ 3.55Å; I453-F527 HydrophobicContact CB-CE2 4.43Å; I453-F527 HydrophobicContact CD1-CD2 4.24Å; I453-F527 HydrophobicContact CD1-CE2 4.43Å; I453-F527 HydrophobicContact CG1-CD2 4.09Å; I453-F527 HydrophobicContact CG1-CE2 3.8Å; I453-F527 HydrophobicContact CG1-CZ 4.14Å; I453-F527 HydrophobicContact CG2-CE2 4.09Å
454A88.7Confident89.7Confident56 Ų5659.1 Ų59.146%0.46330%0.295SS..Hα-helixtrans-61.9-39177.900000112.3Y450 E451 C452 E457 S458Y450-A454 WeakPolarHBondContact O-CB 3.18Å; Y450-A454 PolarHBondContact O-N 3.45Å; E451-A454 PolarHBondContact O-N 2.87Å; C452-A454 VanDerWaalsContact C-N 3.33Å; C452-A454 PolarHBondContact O-N 3.48Å; A454-E457 PolarHBondContact O-N 3.05Å; A454-S458 WeakPolarHBondContact O-CB 3.47Å; A454-S458 PolarHBondContact O-N 2.82Å
455V92.5Very high89.9Confident70 Ų7054 Ų5442%0.42428%0.281SS..Hα-helixtrans-65.8-42.6174.9177.40000111E451 C452 I453 S458 S459 T500E451-V455 WeakPolarHBondContact O-CG2 3.43Å; E451-V455 PolarHBondContact O-N 3.46Å; E451-V455 VanDerWaalsContact O-N 3.11Å; C452-V455 PolarHBondContact O-N 2.86Å; I453-V455 VanDerWaalsContact C-N 3.32Å; I453-V455 PolarHBondContact O-N 3.23Å; V455-S458 PolarHBondContact O-N 3.23Å; V455-S459 PolarHBondContact O-N 2.83Å; V455-S459 PolarHBondContact O-OG 3.36Å; V455-T500 HydrophobicContact CG1-CG2 3.54Å
456Y92Very high90Very high0 Ų049.6 Ų49.60%026%0.258CS..Hα-helixtrans-61-46.3173.7168.9-97.5000112.2C452 I453 S458 S459 W460 V497 E501 F527 I531 K534C452-Y456 PolarHBondContact O-N 2.93Å; I453-Y456 WeakPolarHBondContact O-CB 3.46Å; I453-Y456 PolarHBondContact O-N 3.16Å; Y456-S458 VanDerWaalsContact C-N 3.3Å; Y456-S458 PolarHBondContact O-N 3.34Å; Y456-S459 PolarHBondContact O-N 3.41Å; Y456-S459 PolarHBondContact O-OG 3.05Å; Y456-W460 HydrophobicContact CE2-CE3 4.12Å; Y456-W460 AromaticContact CZ-CE3 3.87Å; Y456-W460 VanDerWaalsContact O-CB 3.25Å; Y456-W460 WeakPolarHBondContact O-CB 3.2Å; Y456-W460 PolarHBondContact O-N 3.5Å; Y456-W460 VanDerWaalsContact OH-CE3 3.32Å; Y456-V497 HydrophobicContact CD2-CG1 4.47Å; Y456-V497 HydrophobicContact CE2-CG1 3.88Å; Y456-E501 HydrophobicContact CD2-CB 3.93Å; Y456-E501 HydrophobicContact CE2-CB 3.93Å; Y456-F527 AromaticContact CD1-CE2 3.97Å; Y456-F527 HydrophobicContact CD1-CE2 3.97Å; Y456-F527 AromaticContact CD1-CZ 3.79Å; Y456-F527 HydrophobicContact CD1-CZ 3.79Å; Y456-F527 HydrophobicContact CE1-CE2 4.29Å; Y456-F527 HydrophobicContact CE1-CZ 4.24Å; Y456-F527 HydrophobicContact CG-CZ 4.04Å; Y456-I531 HydrophobicContact CE1-CG1 3.96Å; Y456-I531 HydrophobicContact CE2-CG1 4.39Å; Y456-K534 HydrophobicContact CE1-CD 4.5Å
457E88.8Confident90.1Very high63 Ų6348.4 Ų48.429%0.29425%0.254SS..Hα-helixtrans-62.1-38.8178.2-72.3-62.6142.700111.7I453 A454 K461 H530 K534I453-E457 HydrophobicContact CG2-CG 4.18Å; I453-E457 WeakPolarHBondContact O-CG 3.49Å; I453-E457 PolarHBondContact O-N 3.38Å; A454-E457 PolarHBondContact O-N 3.05Å; E457-K461 WeakPolarHBondContact O-CB 3.47Å; E457-K461 PolarHBondContact O-N 3.43Å; E457-H530 IonicContact OE1-CE1 2.89Å; E457-H530 PolarHBondContact OE1-CE1 2.82Å; E457-K534 IonicContact OE1-NZ 2.67Å; E457-K534 PolarHBondContact OE1-NZ 3.15Å; E457-K534 IonicContact OE2-NZ 2.63Å; E457-K534 PolarHBondContact OE2-NZ 3.41Å
458S92.5Very high90Very high59 Ų5945.1 Ų45.141%0.41325%0.253SS..Hα-helixtrans-65.8-47.2175.1-177.80000112.5A454 V455 Y456 W460 K461 Q462A454-S458 WeakPolarHBondContact O-CB 3.47Å; A454-S458 PolarHBondContact O-N 2.82Å; V455-S458 PolarHBondContact O-N 3.23Å; Y456-S458 VanDerWaalsContact C-N 3.3Å; Y456-S458 PolarHBondContact O-N 3.34Å; S458-W460 VanDerWaalsContact C-N 3.31Å; S458-W460 PolarHBondContact O-N 2.91Å; S458-K461 PolarHBondContact O-N 3.33Å; S458-Q462 WeakPolarHBondContact O-CG 3.29Å; S458-Q462 PolarHBondContact O-N 3.03Å; S458-Q462 PolarHBondContact OG-NE2 3.1Å
459S91.6Very high89.8Confident5 Ų547.2 Ų47.24%0.03525%0.25CS..Hα-helixtrans-64.8-38.3178.571.50000111.2V455 Y456 Q462 L463 V497 T500V455-S459 PolarHBondContact O-N 2.83Å; V455-S459 PolarHBondContact O-OG 3.36Å; Y456-S459 PolarHBondContact O-N 3.41Å; Y456-S459 PolarHBondContact O-OG 3.05Å; S459-Q462 PolarHBondContact O-N 3.01Å; S459-L463 PolarHBondContact O-N 2.7Å; S459-V497 WeakPolarHBondContact OG-CG2 3.29Å; S459-T500 PolarHBondContact OG-OG1 3.18Å
460W91.5Very high89.5Confident21 Ų2148.5 Ų48.58%0.0826%0.257CS..Hα-helixtrans-62.6-48174-171-88.5000111.7Y456 S458 Q462 L463 I464 V497 K534 W535Y456-W460 HydrophobicContact CE2-CE3 4.12Å; Y456-W460 AromaticContact CZ-CE3 3.87Å; Y456-W460 VanDerWaalsContact O-CB 3.25Å; Y456-W460 WeakPolarHBondContact O-CB 3.2Å; Y456-W460 PolarHBondContact O-N 3.5Å; Y456-W460 VanDerWaalsContact OH-CE3 3.32Å; S458-W460 VanDerWaalsContact C-N 3.31Å; S458-W460 PolarHBondContact O-N 2.91Å; W460-Q462 VanDerWaalsContact C-N 3.34Å; W460-Q462 PolarHBondContact O-N 3.14Å; W460-L463 WeakPolarHBondContact O-CB 3.48Å; W460-L463 PolarHBondContact O-N 3.25Å; W460-L463 VanDerWaalsContact O-N 3.15Å; W460-I464 WeakPolarHBondContact O-CG1 3.47Å; W460-I464 PolarHBondContact O-N 2.89Å; W460-V497 HydrophobicContact CE3-CG1 3.45Å; W460-V497 VanDerWaalsContact CE3-CG1 3.45Å; W460-V497 HydrophobicContact CE3-CG2 4.41Å; W460-V497 HydrophobicContact CZ3-CG1 3.73Å; W460-K534 HydrophobicContact CD2-CD 4.3Å; W460-K534 HydrophobicContact CH2-CB 3.93Å; W460-K534 HydrophobicContact CZ2-CB 3.64Å; W460-K534 HydrophobicContact CZ2-CD 4.49Å; W460-K534 HydrophobicContact CZ2-CG 4.38Å; W460-W535 AromaticContact CH2-CD2 3.97Å; W460-W535 HydrophobicContact CH2-CD2 3.97Å; W460-W535 HydrophobicContact CH2-CE3 4.35Å; W460-W535 HydrophobicContact CH2-CG 4.12Å; W460-W535 HydrophobicContact CZ3-CD2 4.01Å; W460-W535 AromaticContact CZ3-CE2 3.75Å; W460-W535 HydrophobicContact CZ3-CG 4.3Å; W460-W535 HydrophobicContact CZ3-CZ2 4.14Å; W460-W535 AromaticContact CZ3-NE1 3.88Å
461K90.4Very high89Confident139 Ų13952.8 Ų52.860%0.60428%0.276SS*.Hα-helixtrans-58.8-45.7177.2-171.2-172.8177.796.50111.4E457 S458 L463 I464 D465E457-K461 WeakPolarHBondContact O-CB 3.47Å; E457-K461 PolarHBondContact O-N 3.43Å; S458-K461 PolarHBondContact O-N 3.33Å; K461-L463 VanDerWaalsContact C-N 3.29Å; K461-L463 PolarHBondContact O-N 3.46Å; K461-I464 PolarHBondContact O-N 2.75Å; K461-I464 VanDerWaalsContact O-N 3.16Å; K461-D465 PolarHBondContact O-N 2.88Å
462Q93.1Very high88.4Confident91 Ų9152.5 Ų52.543%0.42528%0.277SS..Hα-helixtrans-59.9-38.9176.3-70.4174.847.300112.4S458 S459 W460 D465 V466 L493S458-Q462 WeakPolarHBondContact O-CG 3.29Å; S458-Q462 PolarHBondContact O-N 3.03Å; S458-Q462 PolarHBondContact OG-NE2 3.1Å; S459-Q462 PolarHBondContact O-N 3.01Å; W460-Q462 VanDerWaalsContact C-N 3.34Å; W460-Q462 PolarHBondContact O-N 3.14Å; Q462-D465 PolarHBondContact O-N 3.26Å; Q462-V466 WeakPolarHBondContact O-CG2 3.3Å; Q462-V466 PolarHBondContact O-N 3.03Å; Q462-L493 HydrophobicContact CB-CD1 3.94Å; Q462-L493 HydrophobicContact CB-CD2 3.87Å
463L91Very high87.6Confident0 Ų055.8 Ų55.80%030%0.298CS..Hα-helixtrans-61.9-45.4175.7173.864.5000111.3S459 W460 K461 E467 K490 L493 L494 V497S459-L463 PolarHBondContact O-N 2.7Å; W460-L463 WeakPolarHBondContact O-CB 3.48Å; W460-L463 PolarHBondContact O-N 3.25Å; W460-L463 VanDerWaalsContact O-N 3.15Å; K461-L463 VanDerWaalsContact C-N 3.29Å; K461-L463 PolarHBondContact O-N 3.46Å; L463-E467 WeakPolarHBondContact O-CB 3.34Å; L463-E467 PolarHBondContact O-N 3.45Å; L463-K490 HydrophobicContact CD1-CG 4.11Å; L463-L493 HydrophobicContact CB-CB 4.26Å; L463-L493 HydrophobicContact CD1-CB 4.21Å; L463-L494 HydrophobicContact CD1-CD2 3.8Å; L463-L494 HydrophobicContact CD1-CG 3.76Å; L463-L494 HydrophobicContact CD2-CD2 3.62Å; L463-L494 HydrophobicContact CD2-CG 4.4Å; L463-L494 HydrophobicContact CG-CD2 4.36Å; L463-V497 HydrophobicContact CB-CG2 4.23Å; L463-V497 HydrophobicContact CD2-CG2 4.07Å
464I89.6Confident87.1Confident71 Ų7159.2 Ų59.236%0.36432%0.322SS..Hα-helixtrans-63.3-42.2177.2-62.4-57.7000110.9W460 K461 E467 A468 Y538W460-I464 WeakPolarHBondContact O-CG1 3.47Å; W460-I464 PolarHBondContact O-N 2.89Å; K461-I464 PolarHBondContact O-N 2.75Å; K461-I464 VanDerWaalsContact O-N 3.16Å; I464-E467 PolarHBondContact O-N 3.45Å; I464-A468 PolarHBondContact O-N 2.92Å; I464-Y538 HydrophobicContact CD1-CD2 4.13Å; I464-Y538 HydrophobicContact CD1-CE2 4.48Å
465D90.5Very high86.2Confident81 Ų8157.3 Ų57.343%0.43330%0.304SS..Hα-helixtrans-66.8-40.9179.5-68.9-18.9000112.6K461 Q462 E467 A468 R469K461-D465 PolarHBondContact O-N 2.88Å; Q462-D465 PolarHBondContact O-N 3.26Å; D465-E467 VanDerWaalsContact C-N 3.29Å; D465-E467 PolarHBondContact O-N 3.06Å; D465-A468 PolarHBondContact O-N 3.11Å; D465-R469 WeakPolarHBondContact O-CG 3.4Å; D465-R469 PolarHBondContact O-N 2.99Å
466V88.3Confident85Confident4 Ų457.6 Ų57.62%0.02430%0.3CS..Hα-helixtrans-61.7-40.2172167.50000110.9Q462 R469 L470 E489 K490 L493Q462-V466 WeakPolarHBondContact O-CG2 3.3Å; Q462-V466 PolarHBondContact O-N 3.03Å; V466-R469 PolarHBondContact O-N 3.09Å; V466-L470 HydrophobicContact CG1-CD1 4.17Å; V466-L470 WeakPolarHBondContact O-CG 3.43Å; V466-L470 PolarHBondContact O-N 3.42Å; V466-E489 HydrophobicContact CG2-CG 4.04Å; V466-K490 HydrophobicContact CG1-CB 3.7Å; V466-L493 HydrophobicContact CB-CD1 4.16Å; V466-L493 HydrophobicContact CG2-CD1 3.49Å; V466-L493 VanDerWaalsContact CG2-CD1 3.49Å
467E86.5Confident83.8Confident12 Ų1262.7 Ų62.76%0.05634%0.335CS..Hα-helixtrans-69-38.5178.3-178.8159151.300112.8L463 I464 D465 R469 L470 K471 K490 Y538L463-E467 WeakPolarHBondContact O-CB 3.34Å; L463-E467 PolarHBondContact O-N 3.45Å; I464-E467 PolarHBondContact O-N 3.45Å; D465-E467 VanDerWaalsContact C-N 3.29Å; D465-E467 PolarHBondContact O-N 3.06Å; E467-R469 VanDerWaalsContact C-N 3.32Å; E467-L470 PolarHBondContact O-N 3.34Å; E467-K471 HydrophobicContact CG-CD 4.46Å; E467-K471 WeakPolarHBondContact O-CG 3.24Å; E467-K471 PolarHBondContact O-N 3.31Å; E467-K471 VanDerWaalsContact O-N 3.13Å; E467-K471 WeakPolarHBondContact OE1-CE 3.16Å; E467-K471 IonicContact OE1-NZ 2.99Å; E467-K471 PolarHBondContact OE1-NZ 3.48Å; E467-K490 IonicContact OE2-NZ 2.74Å; E467-K490 PolarHBondContact OE2-NZ 3.33Å; E467-Y538 WeakPolarHBondContact OE2-CE2 3.06Å; E467-Y538 VanDerWaalsContact OE2-CZ 3.26Å; E467-Y538 PolarHBondContact OE2-OH 2.83Å
468A86Confident82.7Confident57 Ų5764.5 Ų64.547%0.47135%0.347SS..Hα-helixtrans-59.9-44.2172.700000110.9I464 D465 L470 K471 D472I464-A468 PolarHBondContact O-N 2.92Å; D465-A468 PolarHBondContact O-N 3.11Å; A468-L470 VanDerWaalsContact C-N 3.33Å; A468-L470 PolarHBondContact O-N 3.4Å; A468-K471 WeakPolarHBondContact O-CB 3.41Å; A468-K471 PolarHBondContact O-N 2.83Å; A468-D472 PolarHBondContact O-N 2.91Å
469R84.6Confident81.3Confident127 Ų12770.3 Ų70.348%0.47936%0.36SS..Hα-helixtrans-62.3-37.5173.5-71.5-173.9-64.4146-12.3112.8D465 V466 E467 K471 D472 I475D465-R469 WeakPolarHBondContact O-CG 3.4Å; D465-R469 PolarHBondContact O-N 2.99Å; V466-R469 PolarHBondContact O-N 3.09Å; E467-R469 VanDerWaalsContact C-N 3.32Å; R469-K471 PolarHBondContact O-N 3.33Å; R469-D472 PolarHBondContact O-N 3.39Å; R469-I475 WeakPolarHBondContact O-CD1 3.49Å; R469-I475 WeakPolarHBondContact O-CG2 3.32Å
470L82.9Confident79.8Confident30 Ų3073 Ų7316%0.15739%0.389CS..Hα-helixtrans-67.3-17.8174.8-75.5172000113.8V466 E467 A468 I475 L483 T486 K490V466-L470 HydrophobicContact CG1-CD1 4.17Å; V466-L470 WeakPolarHBondContact O-CG 3.43Å; V466-L470 PolarHBondContact O-N 3.42Å; E467-L470 PolarHBondContact O-N 3.34Å; A468-L470 VanDerWaalsContact C-N 3.33Å; A468-L470 PolarHBondContact O-N 3.4Å; L470-I475 VanDerWaalsContact CA-CD1 3.45Å; L470-I475 HydrophobicContact CD2-CD1 4.26Å; L470-I475 VanDerWaalsContact O-CD1 3.28Å; L470-I475 WeakPolarHBondContact O-CD1 3.34Å; L470-L483 HydrophobicContact CD2-CD1 3.79Å; L470-T486 VanDerWaalsContact CD2-OG1 3.25Å; L470-T486 WeakPolarHBondContact CD2-OG1 3.2Å; L470-K490 HydrophobicContact CD1-CB 4.11Å; L470-K490 HydrophobicContact CD1-CD 3.64Å; L470-K490 HydrophobicContact CD1-CG 4.48Å
471K78.1Confident79.2Confident107 Ų10774.3 Ų74.347%0.46541%0.409SS..Hα-helixtrans-89.9-16.3175.9-70.2170.7-175.5168.20112.8E467 A468 R469 P473E467-K471 HydrophobicContact CG-CD 4.46Å; E467-K471 WeakPolarHBondContact O-CG 3.24Å; E467-K471 PolarHBondContact O-N 3.31Å; E467-K471 VanDerWaalsContact O-N 3.13Å; E467-K471 WeakPolarHBondContact OE1-CE 3.16Å; E467-K471 IonicContact OE1-NZ 2.99Å; E467-K471 PolarHBondContact OE1-NZ 3.48Å; A468-K471 WeakPolarHBondContact O-CB 3.41Å; A468-K471 PolarHBondContact O-N 2.83Å; R469-K471 PolarHBondContact O-N 3.33Å; K471-P473 WeakPolarHBondContact O-CD 3.49Å
472D77.7Confident78.7Confident74 Ų7471.6 Ų71.640%0.39640%0.4SS..  trans-70.7122.4178.9-177.9-7.2000111.1A468 R469 S474 I475A468-D472 PolarHBondContact O-N 2.91Å; R469-D472 PolarHBondContact O-N 3.39Å; D472-S474 PolarHBondContact O-N 3.2Å; D472-S474 VanDerWaalsContact O-N 3.12Å; D472-S474 WeakPolarHBondContact OD1-CB 3.25Å; D472-S474 PolarHBondContact OD1-N 2.9Å; D472-S474 PolarHBondContact OD1-OG 3.31Å; D472-S474 PolarHBondContact OD2-OG 3.48Å; D472-I475 HydrophobicContact CB-CG2 4.34Å; D472-I475 VanDerWaalsContact O-CG1 3.27Å; D472-I475 WeakPolarHBondContact O-CG1 3.29Å; D472-I475 PolarHBondContact O-N 2.89Å
473P76.5Confident78.2Confident103 Ų10369.1 Ų69.167%0.66939%0.39SS*.G310 helixtrans-53.9-26175.4-27.136000115.1K471 I475 F476K471-P473 WeakPolarHBondContact O-CD 3.49Å; P473-I475 VanDerWaalsContact C-N 3.28Å; P473-I475 PolarHBondContact O-N 2.78Å; P473-F476 WeakPolarHBondContact O-CD2 3.34Å; P473-F476 PolarHBondContact O-N 3.44Å
474S76.1Confident77.8Confident73 Ų7374.4 Ų74.451%0.5142%0.417SS..G310 helixtrans-64.8-28.5-176.874.90000113.6D472 F476 S477D472-S474 PolarHBondContact O-N 3.2Å; D472-S474 VanDerWaalsContact O-N 3.12Å; D472-S474 WeakPolarHBondContact OD1-CB 3.25Å; D472-S474 PolarHBondContact OD1-N 2.9Å; D472-S474 PolarHBondContact OD1-OG 3.31Å; D472-S474 PolarHBondContact OD2-OG 3.48Å; S474-F476 PolarHBondContact O-N 3.47Å; S474-S477 WeakPolarHBondContact O-CB 3.41Å; S474-S477 PolarHBondContact O-N 2.75Å
475I71.2Confident77.6Confident17 Ų1778.9 Ų78.99%0.08743%0.434CS..G310 helixtrans-66-23-178.676.9-171.3000112.8R469 L470 D472 P473 S477 L483R469-I475 WeakPolarHBondContact O-CD1 3.49Å; R469-I475 WeakPolarHBondContact O-CG2 3.32Å; L470-I475 VanDerWaalsContact CA-CD1 3.45Å; L470-I475 HydrophobicContact CD2-CD1 4.26Å; L470-I475 VanDerWaalsContact O-CD1 3.28Å; L470-I475 WeakPolarHBondContact O-CD1 3.34Å; D472-I475 HydrophobicContact CB-CG2 4.34Å; D472-I475 VanDerWaalsContact O-CG1 3.27Å; D472-I475 WeakPolarHBondContact O-CG1 3.29Å; D472-I475 PolarHBondContact O-N 2.89Å; P473-I475 VanDerWaalsContact C-N 3.28Å; P473-I475 PolarHBondContact O-N 2.78Å; I475-S477 PolarHBondContact O-N 3.4Å; I475-L483 HydrophobicContact CD1-CD1 4.09Å
476F65.7Low77.4Confident76 Ų7675.6 Ų75.633%0.33342%0.417SS..G310 helixtrans-77.9-7.3-178.7-64.2-82.7000112.9P473 S474 N478 R479P473-F476 WeakPolarHBondContact O-CD2 3.34Å; P473-F476 PolarHBondContact O-N 3.44Å; S474-F476 PolarHBondContact O-N 3.47Å; F476-N478 VanDerWaalsContact C-N 3.31Å; F476-R479 VanDerWaalsContact O-CG 3.3Å; F476-R479 WeakPolarHBondContact O-CG 3.43Å; F476-R479 PolarHBondContact O-NE 3.5Å
477S68.1Low77.3Confident106 Ų10679 Ų7974%0.74143%0.433SS*.G310 helixtrans-70.9-28.3174.8-163.80000112S474 I475S474-S477 WeakPolarHBondContact O-CB 3.41Å; S474-S477 PolarHBondContact O-N 2.75Å; I475-S477 PolarHBondContact O-N 3.4Å
478N65.1Low77.4Confident102 Ų10285.6 Ų85.655%0.54546%0.461SS..G310 helixtrans-11749-178.3-74.9-46.1000112.8F476 G480 G481 I482F476-N478 VanDerWaalsContact C-N 3.31Å; N478-G480 PolarHBondContact O-N 2.86Å; N478-G481 PolarHBondContact O-N 3.38Å; N478-I482 HydrophobicContact CB-CB 4.47Å; N478-I482 HydrophobicContact CB-CD1 3.75Å; N478-I482 HydrophobicContact CB-CG1 4.1Å
479R62Low77.7Confident180 Ų18085.5 Ų85.568%0.67945%0.451SS*.THydrogen-bonded Turntrans-45.4-29.4-170.1-91.7162.7-175.1-162.5-0.1117.1F476F476-R479 VanDerWaalsContact O-CG 3.3Å; F476-R479 WeakPolarHBondContact O-CG 3.43Å; F476-R479 PolarHBondContact O-NE 3.5Å
480G62.1Low78Confident63 Ų6381.1 Ų81.165%0.64944%0.435SS*.THydrogen-bonded Turntrans-84.9-29.8-172.600000115.8N478 L484N478-G480 PolarHBondContact O-N 2.86Å; G480-L484 WeakPolarHBondContact O-CD1 3.41Å
481G77.9Confident78.3Confident48 Ų4885.6 Ų85.650%0.49545%0.453SS..THydrogen-bonded Turntrans-115.1-53.7-17100000113.7N478 K485N478-G481 PolarHBondContact O-N 3.38Å; G481-K485 WeakPolarHBondContact O-CB 3.33Å; G481-K485 PolarHBondContact O-N 2.86Å; G481-K485 VanDerWaalsContact O-N 3.12Å
482I80.9Confident79.1Confident81 Ų8187.6 Ų87.642%0.41546%0.458SS..Hα-helixtrans-70.9-47.8-170.9-60.7-178.5000110.6N478 L484 K485 T486N478-I482 HydrophobicContact CB-CB 4.47Å; N478-I482 HydrophobicContact CB-CD1 3.75Å; N478-I482 HydrophobicContact CB-CG1 4.1Å; I482-L484 PolarHBondContact O-N 3.44Å; I482-K485 WeakPolarHBondContact O-CB 3.31Å; I482-K485 PolarHBondContact O-N 2.9Å; I482-K485 VanDerWaalsContact O-N 3.15Å; I482-T486 HydrophobicContact CG2-CG2 4.23Å; I482-T486 WeakPolarHBondContact O-CG2 3.43Å; I482-T486 PolarHBondContact O-N 3.19Å; I482-T486 PolarHBondContact O-OG1 2.71Å
483L80.6Confident79.7Confident40 Ų4084.4 Ų84.421%0.20944%0.441CS..Hα-helixtrans-57.8-50.5-178.6-179.362000111.7L470 I475 K485 T486 E487L470-L483 HydrophobicContact CD2-CD1 3.79Å; I475-L483 HydrophobicContact CD1-CD1 4.09Å; L483-K485 VanDerWaalsContact C-N 3.31Å; L483-K485 PolarHBondContact O-N 3.19Å; L483-T486 WeakPolarHBondContact CA-OG1 3.33Å; L483-T486 PolarHBondContact O-N 2.92Å; L483-T486 PolarHBondContact O-OG1 3.18Å; L483-E487 WeakPolarHBondContact O-CB 3.37Å; L483-E487 PolarHBondContact O-N 2.88Å
484L83Confident80.4Confident110 Ų11081.4 Ų81.458%0.57642%0.419SS*.Hα-helixtrans-60.9-40.1177.6-69-179.5000111.8G480 I482 K488G480-L484 WeakPolarHBondContact O-CD1 3.41Å; I482-L484 PolarHBondContact O-N 3.44Å; L484-K488 VanDerWaalsContact O-CB 3.28Å; L484-K488 WeakPolarHBondContact O-CB 3.41Å; L484-K488 PolarHBondContact O-N 3.42Å
485K85.5Confident81.2Confident166 Ų16685.3 Ų85.372%0.72243%0.427SS*.Hα-helixtrans-63.7-45.4175.9-170177.3-178.7-178.70111.5G481 I482 L483 K488 E489G481-K485 WeakPolarHBondContact O-CB 3.33Å; G481-K485 PolarHBondContact O-N 2.86Å; G481-K485 VanDerWaalsContact O-N 3.12Å; I482-K485 WeakPolarHBondContact O-CB 3.31Å; I482-K485 PolarHBondContact O-N 2.9Å; I482-K485 VanDerWaalsContact O-N 3.15Å; L483-K485 VanDerWaalsContact C-N 3.31Å; L483-K485 PolarHBondContact O-N 3.19Å; K485-K488 PolarHBondContact O-N 3.28Å; K485-E489 WeakPolarHBondContact O-CB 3.44Å; K485-E489 PolarHBondContact O-N 3.14Å
486T86Confident82.3Confident11 Ų1186.9 Ų86.97%0.06743%0.434CS..Hα-helixtrans-68-36.1178.5510000113.1L470 I482 L483 E489 K490L470-T486 VanDerWaalsContact CD2-OG1 3.25Å; L470-T486 WeakPolarHBondContact CD2-OG1 3.2Å; I482-T486 HydrophobicContact CG2-CG2 4.23Å; I482-T486 WeakPolarHBondContact O-CG2 3.43Å; I482-T486 PolarHBondContact O-N 3.19Å; I482-T486 PolarHBondContact O-OG1 2.71Å; L483-T486 WeakPolarHBondContact CA-OG1 3.33Å; L483-T486 PolarHBondContact O-N 2.92Å; L483-T486 PolarHBondContact O-OG1 3.18Å; T486-E489 PolarHBondContact O-N 2.98Å; T486-K490 PolarHBondContact O-N 3.49Å
487E86.6Confident83.6Confident77 Ų7783.2 Ų83.236%0.3642%0.418SS..Hα-helixtrans-71.4-39.1175.7-164.7-168148.900111.4L483 E489 K490 K491L483-E487 WeakPolarHBondContact O-CB 3.37Å; L483-E487 PolarHBondContact O-N 2.88Å; E487-E489 VanDerWaalsContact C-N 3.29Å; E487-E489 PolarHBondContact O-N 3.38Å; E487-K490 PolarHBondContact O-N 3.25Å; E487-K491 WeakPolarHBondContact O-CG 3.42Å; E487-K491 PolarHBondContact O-N 3.44Å; E487-K491 WeakPolarHBondContact OE1-CE 3.33Å; E487-K491 IonicContact OE1-NZ 3.03Å; E487-K491 PolarHBondContact OE1-NZ 3.32Å
488K89.8Confident84.7Confident150 Ų15082.5 Ų82.565%0.65240%0.403SS*.Hα-helixtrans-61.8-39.4172-172.5176.3-178.41790111.2L484 K485 K491 R492L484-K488 VanDerWaalsContact O-CB 3.28Å; L484-K488 WeakPolarHBondContact O-CB 3.41Å; L484-K488 PolarHBondContact O-N 3.42Å; K485-K488 PolarHBondContact O-N 3.28Å; K488-K491 PolarHBondContact O-N 2.99Å; K488-R492 PolarHBondContact O-N 2.93Å
489E91.1Very high86.1Confident54 Ų5483.8 Ų83.825%0.25240%0.4SS..Hα-helixtrans-65-45174.7-169.458.2-156.600111.8V466 K485 T486 E487 K491 R492 L493V466-E489 HydrophobicContact CG2-CG 4.04Å; K485-E489 WeakPolarHBondContact O-CB 3.44Å; K485-E489 PolarHBondContact O-N 3.14Å; T486-E489 PolarHBondContact O-N 2.98Å; E487-E489 VanDerWaalsContact C-N 3.29Å; E487-E489 PolarHBondContact O-N 3.38Å; E489-K491 VanDerWaalsContact C-N 3.31Å; E489-K491 PolarHBondContact O-N 2.88Å; E489-R492 WeakPolarHBondContact O-CA 3.32Å; E489-R492 WeakPolarHBondContact O-CB 3.19Å; E489-R492 PolarHBondContact O-N 2.94Å; E489-R492 IonicContact OE2-CZ 3.67Å; E489-R492 IonicContact OE2-NE 3.66Å; E489-R492 IonicContact OE2-NH1 3.8Å; E489-L493 HydrophobicContact CG-CD1 4.18Å; E489-L493 PolarHBondContact O-N 3.47Å
490K90.3Very high87.6Confident36 Ų3675.2 Ų75.216%0.15737%0.368CS..Hα-helixtrans-54.8-46.6172.5178.4171.6171158.10111.9L463 V466 E467 L470 T486 E487 R492 L493 L494 Y538L463-K490 HydrophobicContact CD1-CG 4.11Å; V466-K490 HydrophobicContact CG1-CB 3.7Å; E467-K490 IonicContact OE2-NZ 2.74Å; E467-K490 PolarHBondContact OE2-NZ 3.33Å; L470-K490 HydrophobicContact CD1-CB 4.11Å; L470-K490 HydrophobicContact CD1-CD 3.64Å; L470-K490 HydrophobicContact CD1-CG 4.48Å; T486-K490 PolarHBondContact O-N 3.49Å; E487-K490 PolarHBondContact O-N 3.25Å; K490-R492 VanDerWaalsContact C-N 3.27Å; K490-R492 PolarHBondContact O-N 2.94Å; K490-L493 PolarHBondContact O-N 3.31Å; K490-L494 HydrophobicContact CG-CD1 4.16Å; K490-L494 WeakPolarHBondContact O-CG 3.2Å; K490-L494 PolarHBondContact O-N 2.84Å; K490-Y538 VanDerWaalsContact CE-OH 3.25Å; K490-Y538 WeakPolarHBondContact CE-OH 3.49Å; K490-Y538 PolarHBondContact NZ-OH 3.48Å
491K90.5Very high89Confident123 Ų12374.2 Ų74.254%0.53535%0.346SS..Hα-helixtrans-63.5-32.9178.1-73.6177.8-174.4165.70112.3E487 K488 E489E487-K491 WeakPolarHBondContact O-CG 3.42Å; E487-K491 PolarHBondContact O-N 3.44Å; E487-K491 WeakPolarHBondContact OE1-CE 3.33Å; E487-K491 IonicContact OE1-NZ 3.03Å; E487-K491 PolarHBondContact OE1-NZ 3.32Å; K488-K491 PolarHBondContact O-N 2.99Å; E489-K491 VanDerWaalsContact C-N 3.31Å; E489-K491 PolarHBondContact O-N 2.88Å
492R93.9Very high89.7Confident150 Ų15078.8 Ų78.857%0.56635%0.352SS*.Hα-helixtrans-69.3-51173.8-176.4-168.5-61.5-168.7-1.7111K488 E489 K490 L494 K495 E496K488-R492 PolarHBondContact O-N 2.93Å; E489-R492 WeakPolarHBondContact O-CA 3.32Å; E489-R492 WeakPolarHBondContact O-CB 3.19Å; E489-R492 PolarHBondContact O-N 2.94Å; E489-R492 IonicContact OE2-CZ 3.67Å; E489-R492 IonicContact OE2-NE 3.66Å; E489-R492 IonicContact OE2-NH1 3.8Å; K490-R492 VanDerWaalsContact C-N 3.27Å; K490-R492 PolarHBondContact O-N 2.94Å; R492-L494 VanDerWaalsContact C-N 3.31Å; R492-L494 PolarHBondContact O-N 3.14Å; R492-K495 WeakPolarHBondContact O-CB 3.21Å; R492-K495 PolarHBondContact O-N 3.11Å; R492-K495 VanDerWaalsContact O-N 3.11Å; R492-E496 PolarHBondContact O-N 3.01Å
493L91.8Very high90.3Very high7 Ų779 Ų794%0.03735%0.352CS..Hα-helixtrans-63.4-34.3-179.3-71.7171.3000112.8Q462 L463 V466 E489 K490 K495 E496 V497Q462-L493 HydrophobicContact CB-CD1 3.94Å; Q462-L493 HydrophobicContact CB-CD2 3.87Å; L463-L493 HydrophobicContact CB-CB 4.26Å; L463-L493 HydrophobicContact CD1-CB 4.21Å; V466-L493 HydrophobicContact CB-CD1 4.16Å; V466-L493 HydrophobicContact CG2-CD1 3.49Å; V466-L493 VanDerWaalsContact CG2-CD1 3.49Å; E489-L493 HydrophobicContact CG-CD1 4.18Å; E489-L493 PolarHBondContact O-N 3.47Å; K490-L493 PolarHBondContact O-N 3.31Å; L493-K495 VanDerWaalsContact C-N 3.35Å; L493-K495 PolarHBondContact O-N 2.98Å; L493-E496 WeakPolarHBondContact O-CB 3.4Å; L493-E496 PolarHBondContact O-N 3.44Å; L493-V497 WeakPolarHBondContact O-CB 3.45Å; L493-V497 VanDerWaalsContact O-CG2 3.27Å; L493-V497 WeakPolarHBondContact O-CG2 3.31Å; L493-V497 PolarHBondContact O-N 3.32Å
494L91.2Very high90.8Very high39 Ų3977.1 Ų77.120%0.20434%0.342CS..Hα-helixtrans-59.3-45.9172-77.5168.7000111.9L463 K490 R492 E496 V497 E498 W535L463-L494 HydrophobicContact CD1-CD2 3.8Å; L463-L494 HydrophobicContact CD1-CG 3.76Å; L463-L494 HydrophobicContact CD2-CD2 3.62Å; L463-L494 HydrophobicContact CD2-CG 4.4Å; L463-L494 HydrophobicContact CG-CD2 4.36Å; K490-L494 HydrophobicContact CG-CD1 4.16Å; K490-L494 WeakPolarHBondContact O-CG 3.2Å; K490-L494 PolarHBondContact O-N 2.84Å; R492-L494 VanDerWaalsContact C-N 3.31Å; R492-L494 PolarHBondContact O-N 3.14Å; L494-E496 VanDerWaalsContact C-N 3.29Å; L494-E496 PolarHBondContact O-N 3.49Å; L494-V497 PolarHBondContact O-N 2.91Å; L494-E498 WeakPolarHBondContact O-CG 3.44Å; L494-E498 PolarHBondContact O-N 3.07Å; L494-E498 VanDerWaalsContact O-N 3.09Å; L494-W535 HydrophobicContact CD2-CH2 3.94Å; L494-W535 HydrophobicContact CD2-CZ3 4.23Å
495K92.6Very high91.2Very high155 Ų15574.6 Ų74.667%0.67433%0.328SS*.Hα-helixtrans-65.7-34.9175.5-67.5-178.5178.6-171.20112.1R492 L493 R499R492-K495 WeakPolarHBondContact O-CB 3.21Å; R492-K495 PolarHBondContact O-N 3.11Å; R492-K495 VanDerWaalsContact O-N 3.11Å; L493-K495 VanDerWaalsContact C-N 3.35Å; L493-K495 PolarHBondContact O-N 2.98Å; K495-R499 WeakPolarHBondContact O-CB 3.41Å; K495-R499 PolarHBondContact O-N 2.75Å
496E92.7Very high91.5Very high50 Ų5069 Ų6923%0.23431%0.309CS..Hα-helixtrans-67.1-44.7177.3-174.458.2-153.400112.1R492 L493 L494 R499 T500R492-E496 PolarHBondContact O-N 3.01Å; L493-E496 WeakPolarHBondContact O-CB 3.4Å; L493-E496 PolarHBondContact O-N 3.44Å; L494-E496 VanDerWaalsContact C-N 3.29Å; L494-E496 PolarHBondContact O-N 3.49Å; E496-R499 PolarHBondContact O-N 3.49Å; E496-R499 IonicContact OE1-CZ 2.61Å; E496-R499 IonicContact OE1-NE 3.43Å; E496-R499 PolarHBondContact OE1-NE 3.3Å; E496-R499 IonicContact OE1-NH2 3.77Å; E496-R499 PolarHBondContact OE1-NH2 2.87Å; E496-R499 IonicContact OE2-CZ 2.89Å; E496-R499 VanDerWaalsContact OE2-CZ 3.24Å; E496-R499 IonicContact OE2-NE 2.81Å; E496-R499 PolarHBondContact OE2-NE 3.42Å; E496-R499 VanDerWaalsContact OE2-NE 3.15Å; E496-R499 IonicContact OE2-NH2 3.39Å; E496-R499 PolarHBondContact OE2-NH2 3.26Å; E496-T500 HydrophobicContact CG-CG2 4.39Å; E496-T500 WeakPolarHBondContact O-CB 3.48Å; E496-T500 VanDerWaalsContact O-CG2 3.31Å; E496-T500 WeakPolarHBondContact O-CG2 3.44Å; E496-T500 PolarHBondContact O-N 3.45Å; E496-T500 PolarHBondContact O-OG1 3.48Å; E496-T500 VanDerWaalsContact OE1-CG2 3.27Å; E496-T500 WeakPolarHBondContact OE1-CG2 3.47Å
497V93.1Very high91.6Very high0 Ų069.1 Ų69.10%031%0.312CS..Hα-helixtrans-58.9-50.2174.5166.30000110.3Y456 S459 W460 L463 L493 L494 R499 T500 E501 W535Y456-V497 HydrophobicContact CD2-CG1 4.47Å; Y456-V497 HydrophobicContact CE2-CG1 3.88Å; S459-V497 WeakPolarHBondContact OG-CG2 3.29Å; W460-V497 HydrophobicContact CE3-CG1 3.45Å; W460-V497 VanDerWaalsContact CE3-CG1 3.45Å; W460-V497 HydrophobicContact CE3-CG2 4.41Å; W460-V497 HydrophobicContact CZ3-CG1 3.73Å; L463-V497 HydrophobicContact CB-CG2 4.23Å; L463-V497 HydrophobicContact CD2-CG2 4.07Å; L493-V497 WeakPolarHBondContact O-CB 3.45Å; L493-V497 VanDerWaalsContact O-CG2 3.27Å; L493-V497 WeakPolarHBondContact O-CG2 3.31Å; L493-V497 PolarHBondContact O-N 3.32Å; L494-V497 PolarHBondContact O-N 2.91Å; V497-R499 VanDerWaalsContact C-N 3.26Å; V497-R499 PolarHBondContact O-N 3.49Å; V497-T500 WeakPolarHBondContact CA-OG1 3.41Å; V497-T500 PolarHBondContact O-N 2.9Å; V497-T500 PolarHBondContact O-OG1 3.36Å; V497-T500 VanDerWaalsContact O-OG1 3.14Å; V497-E501 WeakPolarHBondContact O-CB 3.27Å; V497-E501 PolarHBondContact O-N 3.01Å; V497-W535 HydrophobicContact CG1-CZ2 3.94Å
498E92.4Very high91.7Very high91 Ų9166.2 Ų66.243%0.42530%0.299SS..Hα-helixtrans-61.9-32.3177.4-72.1175.5-165.100113L494 K502 W535L494-E498 WeakPolarHBondContact O-CG 3.44Å; L494-E498 PolarHBondContact O-N 3.07Å; L494-E498 VanDerWaalsContact O-N 3.09Å; E498-K502 WeakPolarHBondContact O-CG 3.45Å; E498-K502 PolarHBondContact O-N 3.2Å; E498-W535 HydrophobicContact CG-CH2 4.48Å; E498-W535 HydrophobicContact CG-CZ2 4.1Å
499R94.6Very high91.6Very high128 Ų12864.6 Ų64.648%0.48329%0.294SS..Hα-helixtrans-70.2-54.2175.6176.217970.2145.1-3.2111.2K495 E496 V497 E501 K502 E503K495-R499 WeakPolarHBondContact O-CB 3.41Å; K495-R499 PolarHBondContact O-N 2.75Å; E496-R499 PolarHBondContact O-N 3.49Å; E496-R499 IonicContact OE1-CZ 2.61Å; E496-R499 IonicContact OE1-NE 3.43Å; E496-R499 PolarHBondContact OE1-NE 3.3Å; E496-R499 IonicContact OE1-NH2 3.77Å; E496-R499 PolarHBondContact OE1-NH2 2.87Å; E496-R499 IonicContact OE2-CZ 2.89Å; E496-R499 VanDerWaalsContact OE2-CZ 3.24Å; E496-R499 IonicContact OE2-NE 2.81Å; E496-R499 PolarHBondContact OE2-NE 3.42Å; E496-R499 VanDerWaalsContact OE2-NE 3.15Å; E496-R499 IonicContact OE2-NH2 3.39Å; E496-R499 PolarHBondContact OE2-NH2 3.26Å; V497-R499 VanDerWaalsContact C-N 3.26Å; V497-R499 PolarHBondContact O-N 3.49Å; R499-E501 VanDerWaalsContact C-N 3.26Å; R499-E501 PolarHBondContact O-N 2.94Å; R499-K502 WeakPolarHBondContact O-CB 3.47Å; R499-K502 PolarHBondContact O-N 3.44Å; R499-K502 VanDerWaalsContact O-N 3.08Å; R499-E503 WeakPolarHBondContact CG-OE1 3.25Å; R499-E503 IonicContact NE-OE1 2.69Å; R499-E503 WeakPolarHBondContact O-CG 3.45Å; R499-E503 PolarHBondContact O-N 3.46Å
500T93.5Very high91.4Very high1 Ų167.2 Ų67.21%0.00631%0.306CS..Hα-helixtrans-65.5-31.5-17752.10000111.8V455 S459 E496 V497 E503 A504V455-T500 HydrophobicContact CG1-CG2 3.54Å; S459-T500 PolarHBondContact OG-OG1 3.18Å; E496-T500 HydrophobicContact CG-CG2 4.39Å; E496-T500 WeakPolarHBondContact O-CB 3.48Å; E496-T500 VanDerWaalsContact O-CG2 3.31Å; E496-T500 WeakPolarHBondContact O-CG2 3.44Å; E496-T500 PolarHBondContact O-N 3.45Å; E496-T500 PolarHBondContact O-OG1 3.48Å; E496-T500 VanDerWaalsContact OE1-CG2 3.27Å; E496-T500 WeakPolarHBondContact OE1-CG2 3.47Å; V497-T500 WeakPolarHBondContact CA-OG1 3.41Å; V497-T500 PolarHBondContact O-N 2.9Å; V497-T500 PolarHBondContact O-OG1 3.36Å; V497-T500 VanDerWaalsContact O-OG1 3.14Å; T500-E503 PolarHBondContact O-N 3.22Å; T500-A504 WeakPolarHBondContact O-CB 3.37Å; T500-A504 PolarHBondContact O-N 3.47Å
501E91.4Very high91.1Very high42 Ų4266.7 Ų66.720%0.19630%0.303CS..Hα-helixtrans-56.2-52.5167.3175.4179.2156.300111.8Y456 V497 R499 E503 A504 I505 I531 W535Y456-E501 HydrophobicContact CD2-CB 3.93Å; Y456-E501 HydrophobicContact CE2-CB 3.93Å; V497-E501 WeakPolarHBondContact O-CB 3.27Å; V497-E501 PolarHBondContact O-N 3.01Å; R499-E501 VanDerWaalsContact C-N 3.26Å; R499-E501 PolarHBondContact O-N 2.94Å; E501-E503 VanDerWaalsContact C-N 3.34Å; E501-E503 PolarHBondContact O-N 3.04Å; E501-A504 PolarHBondContact O-N 3.15Å; E501-I505 HydrophobicContact CG-CD1 3.95Å; E501-I505 WeakPolarHBondContact O-CG1 3.36Å; E501-I505 PolarHBondContact O-N 2.98Å; E501-I531 HydrophobicContact CG-CD1 3.77Å; E501-I531 HydrophobicContact CG-CG2 4.16Å; E501-W535 PolarHBondContact OE2-NE1 3.38Å
502K92.5Very high90.9Very high144 Ų14463.5 Ų63.563%0.62629%0.29SS*.Hα-helixtrans-64.6-38.6179.3-71.4171.9-175.51750112.4E498 R499 I505 S506E498-K502 WeakPolarHBondContact O-CG 3.45Å; E498-K502 PolarHBondContact O-N 3.2Å; R499-K502 WeakPolarHBondContact O-CB 3.47Å; R499-K502 PolarHBondContact O-N 3.44Å; R499-K502 VanDerWaalsContact O-N 3.08Å; K502-I505 PolarHBondContact O-N 2.93Å; K502-S506 WeakPolarHBondContact O-CB 3.34Å; K502-S506 PolarHBondContact O-N 3.49Å
503E93.6Very high90.5Very high86 Ų8662.6 Ų62.640%0.40230%0.296SS..Hα-helixtrans-62.2-45.3175.5-71.3170.9-174.800111R499 T500 E501 S506 A507R499-E503 WeakPolarHBondContact CG-OE1 3.25Å; R499-E503 IonicContact NE-OE1 2.69Å; R499-E503 WeakPolarHBondContact O-CG 3.45Å; R499-E503 PolarHBondContact O-N 3.46Å; T500-E503 PolarHBondContact O-N 3.22Å; E501-E503 VanDerWaalsContact C-N 3.34Å; E501-E503 PolarHBondContact O-N 3.04Å; E503-S506 PolarHBondContact O-N 3.24Å; E503-A507 WeakPolarHBondContact O-CB 3.48Å; E503-A507 PolarHBondContact O-N 3.48Å
504A90.4Very high90.2Very high0 Ų070.3 Ų70.30%033%0.329CS..Hα-helixtrans-65.8-42.2176.700000112.9C452 I453 T500 E501 S506 A507 I508 F527C452-A504 HydrophobicContact CB-CB 3.83Å; I453-A504 HydrophobicContact CG1-CB 4.38Å; T500-A504 WeakPolarHBondContact O-CB 3.37Å; T500-A504 PolarHBondContact O-N 3.47Å; E501-A504 PolarHBondContact O-N 3.15Å; A504-S506 VanDerWaalsContact C-N 3.34Å; A504-S506 PolarHBondContact O-N 3.25Å; A504-A507 PolarHBondContact O-N 3.03Å; A504-I508 VanDerWaalsContact O-CG1 3.29Å; A504-I508 WeakPolarHBondContact O-CG1 3.42Å; A504-I508 PolarHBondContact O-N 3.35Å; A504-F527 HydrophobicContact CB-CD1 4.28Å; A504-F527 HydrophobicContact CB-CE1 3.33Å; A504-F527 HydrophobicContact CB-CZ 3.61Å
505I91Very high89.6Confident57 Ų5770.8 Ų70.829%0.29234%0.336SS..Hα-helixtrans-61-44.4173.6-68166.2000110.7E501 K502 A507 I508 E509 F527 T528 I531E501-I505 HydrophobicContact CG-CD1 3.95Å; E501-I505 WeakPolarHBondContact O-CG1 3.36Å; E501-I505 PolarHBondContact O-N 2.98Å; K502-I505 PolarHBondContact O-N 2.93Å; I505-A507 VanDerWaalsContact C-N 3.35Å; I505-A507 PolarHBondContact O-N 3.33Å; I505-I508 PolarHBondContact O-N 2.65Å; I505-E509 PolarHBondContact O-N 3.41Å; I505-F527 HydrophobicContact CG1-CD1 4.03Å; I505-F527 HydrophobicContact CG1-CE1 4.16Å; I505-T528 HydrophobicContact CD1-CG2 4.37Å; I505-T528 HydrophobicContact CG1-CG2 4.33Å; I505-I531 HydrophobicContact CD1-CD1 4.48Å
506S91.7Very high88.8Confident47 Ų4769 Ų6933%0.32934%0.343SS..Hα-helixtrans-64.2-39.6178-172.90000112.1K502 E503 A504 I508 E509 Q510K502-S506 WeakPolarHBondContact O-CB 3.34Å; K502-S506 PolarHBondContact O-N 3.49Å; E503-S506 PolarHBondContact O-N 3.24Å; A504-S506 VanDerWaalsContact C-N 3.34Å; A504-S506 PolarHBondContact O-N 3.25Å; S506-I508 VanDerWaalsContact C-N 3.34Å; S506-E509 PolarHBondContact O-N 3.29Å; S506-Q510 WeakPolarHBondContact O-CB 3.3Å; S506-Q510 VanDerWaalsContact O-CG 3.29Å; S506-Q510 WeakPolarHBondContact O-CG 3.49Å; S506-Q510 PolarHBondContact O-N 3.19Å; S506-Q510 PolarHBondContact OG-NE2 2.89Å
507A89.1Confident88.1Confident15 Ų1569.3 Ų69.312%0.12435%0.351CS..Hα-helixtrans-63.2-41175.500000111.8V449 C452 E503 A504 I505 Y511V449-A507 HydrophobicContact CG2-CB 4.44Å; C452-A507 HydrophobicContact CB-CB 4.28Å; E503-A507 WeakPolarHBondContact O-CB 3.48Å; E503-A507 PolarHBondContact O-N 3.48Å; A504-A507 PolarHBondContact O-N 3.03Å; I505-A507 VanDerWaalsContact C-N 3.35Å; I505-A507 PolarHBondContact O-N 3.33Å; A507-Y511 WeakPolarHBondContact O-CB 3.45Å; A507-Y511 PolarHBondContact O-N 3.38Å; A507-Y511 VanDerWaalsContact O-N 3.1Å
508I87.8Confident87.4Confident16 Ų1676.1 Ų76.18%0.08238%0.382CS..Hα-helixtrans-63.3-49.8174.8-69.2164.7000110.5V449 A504 I505 S506 Q510 Y511 E512 F519 F527V449-I508 HydrophobicContact CG1-CD1 4.3Å; V449-I508 HydrophobicContact CG1-CG1 3.54Å; V449-I508 HydrophobicContact CG2-CG1 4.29Å; A504-I508 VanDerWaalsContact O-CG1 3.29Å; A504-I508 WeakPolarHBondContact O-CG1 3.42Å; A504-I508 PolarHBondContact O-N 3.35Å; I505-I508 PolarHBondContact O-N 2.65Å; S506-I508 VanDerWaalsContact C-N 3.34Å; I508-Q510 PolarHBondContact O-N 3.48Å; I508-Y511 CarbonylContact O-C 3.57Å; I508-Y511 WeakPolarHBondContact O-CA 3.42Å; I508-Y511 WeakPolarHBondContact O-CB 3.47Å; I508-Y511 PolarHBondContact O-N 2.62Å; I508-E512 HydrophobicContact CG2-CG 4.11Å; I508-E512 WeakPolarHBondContact O-CG 3.48Å; I508-E512 PolarHBondContact O-N 3Å; I508-F519 HydrophobicContact CD1-CD1 3.77Å; I508-F519 HydrophobicContact CD1-CE1 4.15Å; I508-F519 HydrophobicContact CG1-CD1 3.91Å; I508-F519 HydrophobicContact CG1-CE1 4.43Å; I508-F519 HydrophobicContact CG1-CG 4.29Å; I508-F519 HydrophobicContact CG2-CB 3.79Å; I508-F519 HydrophobicContact CG2-CD1 4.46Å; I508-F519 HydrophobicContact CG2-CG 4.43Å; I508-F527 HydrophobicContact CD1-CB 3.39Å; I508-F527 HydrophobicContact CD1-CD1 3.49Å; I508-F527 VanDerWaalsContact CD1-CD1 3.49Å; I508-F527 HydrophobicContact CD1-CE1 4.41Å; I508-F527 HydrophobicContact CD1-CG 3.59Å
509E88.5Confident86.8Confident116 Ų11672 Ų7254%0.54236%0.363SS..Hα-helixtrans-58.7-46.1179.7-176.4-178.9-166.400111.8I505 S506 Y511 E512 L513I505-E509 PolarHBondContact O-N 3.41Å; S506-E509 PolarHBondContact O-N 3.29Å; E509-Y511 PolarHBondContact O-N 2.88Å; E509-E512 PolarHBondContact O-N 2.91Å; E509-L513 HydrophobicContact CG-CD1 4.19Å; E509-L513 WeakPolarHBondContact O-CB 3.45Å; E509-L513 WeakPolarHBondContact O-CD1 3.39Å; E509-L513 WeakPolarHBondContact O-CG 3.48Å; E509-L513 PolarHBondContact O-N 3.39Å
510Q87.7Confident86Confident109 Ų10970.9 Ų70.951%0.50937%0.366SS..Hα-helixtrans-60.2-32.5175.6-74.9-178.44000113S506 I508 K514S506-Q510 WeakPolarHBondContact O-CB 3.3Å; S506-Q510 VanDerWaalsContact O-CG 3.29Å; S506-Q510 WeakPolarHBondContact O-CG 3.49Å; S506-Q510 PolarHBondContact O-N 3.19Å; S506-Q510 PolarHBondContact OG-NE2 2.89Å; I508-Q510 PolarHBondContact O-N 3.48Å; Q510-K514 WeakPolarHBondContact O-CG 3.4Å
511Y83.6Confident85Confident24 Ų2471.5 Ų71.59%0.09437%0.369CS..Hα-helixtrans-75.8-47.5175.7174-88000112L445 Y446 V449 A507 I508 E509 L513 K514 S515L445-Y511 HydrophobicContact CG-CE2 4.46Å; Y446-Y511 HydrophobicContact CD1-CD1 4.11Å; Y446-Y511 HydrophobicContact CD1-CD2 4.29Å; Y446-Y511 AromaticContact CD1-CE1 3.67Å; Y446-Y511 HydrophobicContact CD1-CE1 3.67Å; Y446-Y511 AromaticContact CD1-CE2 3.82Å; Y446-Y511 HydrophobicContact CD1-CE2 3.82Å; Y446-Y511 HydrophobicContact CD1-CG 4.41Å; Y446-Y511 AromaticContact CD1-CZ 3.49Å; Y446-Y511 VanDerWaalsContact CD1-CZ 3.49Å; Y446-Y511 AromaticContact CE1-CD1 3.87Å; Y446-Y511 HydrophobicContact CE1-CD1 3.87Å; Y446-Y511 AromaticContact CE1-CE1 3.06Å; Y446-Y511 HydrophobicContact CE1-CE1 3.06Å; Y446-Y511 AromaticContact CE1-CE2 3.87Å; Y446-Y511 HydrophobicContact CE1-CE2 3.87Å; Y446-Y511 AromaticContact CE1-CZ 3.04Å; Y446-Y511 WeakPolarHBondContact CE1-OH 3.38Å; Y446-Y511 HydrophobicContact CG-CE2 4.46Å; Y446-Y511 AromaticContact CZ-CE1 3.85Å; Y446-Y511 AromaticContact CZ-CZ 3.53Å; Y446-Y511 PolarHBondContact OH-OH 2.99Å; V449-Y511 HydrophobicContact CG2-CG 4.37Å; A507-Y511 WeakPolarHBondContact O-CB 3.45Å; A507-Y511 PolarHBondContact O-N 3.38Å; A507-Y511 VanDerWaalsContact O-N 3.1Å; I508-Y511 CarbonylContact O-C 3.57Å; I508-Y511 WeakPolarHBondContact O-CA 3.42Å; I508-Y511 WeakPolarHBondContact O-CB 3.47Å; I508-Y511 PolarHBondContact O-N 2.62Å; E509-Y511 PolarHBondContact O-N 2.88Å; Y511-L513 PolarHBondContact O-N 3.02Å; Y511-K514 WeakPolarHBondContact O-CA 3.46Å; Y511-K514 PolarHBondContact O-N 3.03Å; Y511-S515 WeakPolarHBondContact CE2-OG 3.46Å; Y511-S515 PolarHBondContact O-N 2.9Å; Y511-S515 VanDerWaalsContact OH-CB 3.31Å; Y511-S515 WeakPolarHBondContact OH-CB 3.46Å; Y511-S515 PolarHBondContact OH-OG 3.38Å
512E86.7Confident83.7Confident56 Ų5672.3 Ų72.326%0.26238%0.379SS..Hα-helixtrans-58.1-36.6179-68.8-168.3158.400111.1I508 E509 K514 S516 H518 F519I508-E512 HydrophobicContact CG2-CG 4.11Å; I508-E512 WeakPolarHBondContact O-CG 3.48Å; I508-E512 PolarHBondContact O-N 3Å; E509-E512 PolarHBondContact O-N 2.91Å; E512-K514 VanDerWaalsContact C-N 3.3Å; E512-K514 PolarHBondContact O-N 3.46Å; E512-S516 WeakPolarHBondContact O-CA 3.34Å; E512-S516 PolarHBondContact O-N 3.48Å; E512-H518 VanDerWaalsContact OE1-CA 3.28Å; E512-H518 WeakPolarHBondContact OE1-CA 3.34Å; E512-H518 IonicContact OE1-CG 3.31Å; E512-H518 IonicContact OE1-ND1 2.87Å; E512-H518 PolarHBondContact OE1-ND1 3.21Å; E512-H518 IonicContact OE2-ND1 2.67Å; E512-H518 PolarHBondContact OE2-ND1 3.28Å; E512-F519 PolarHBondContact OE1-N 3.03Å
513L84.7Confident82.4Confident132 Ų13269.5 Ų69.569%0.69137%0.371SS*.Hα-helixtrans-60.3-33.8171.6-79.1160.6000113.6E509 Y511E509-L513 HydrophobicContact CG-CD1 4.19Å; E509-L513 WeakPolarHBondContact O-CB 3.45Å; E509-L513 WeakPolarHBondContact O-CD1 3.39Å; E509-L513 WeakPolarHBondContact O-CG 3.48Å; E509-L513 PolarHBondContact O-N 3.39Å; Y511-L513 PolarHBondContact O-N 3.02Å
514K84.9Confident81.3Confident168 Ų16868 Ų6873%0.7338%0.379SS*.Hα-helixtrans-86.6-47.5-178.4-71.7174.8-176.9174.90112.7Q510 Y511 E512Q510-K514 WeakPolarHBondContact O-CG 3.4Å; Y511-K514 WeakPolarHBondContact O-CA 3.46Å; Y511-K514 PolarHBondContact O-N 3.03Å; E512-K514 VanDerWaalsContact C-N 3.3Å; E512-K514 PolarHBondContact O-N 3.46Å
515S79.7Confident80.7Confident50 Ų5071.8 Ų71.835%0.3540%0.395SS..Hα-helixtrans-91.6-8.9-172.4-65.60000113.8Y511 S517Y511-S515 WeakPolarHBondContact CE2-OG 3.46Å; Y511-S515 PolarHBondContact O-N 2.9Å; Y511-S515 VanDerWaalsContact OH-CB 3.31Å; Y511-S515 WeakPolarHBondContact OH-CB 3.46Å; Y511-S515 PolarHBondContact OH-OG 3.38Å; S515-S517 PolarHBondContact O-N 3.49Å
516S74.6Confident80.2Confident118 Ų11871.1 Ų71.183%0.82539%0.394SS*.SBendtrans52.724.7-174.5-56.50000113.6E512E512-S516 WeakPolarHBondContact O-CA 3.34Å; E512-S516 PolarHBondContact O-N 3.48Å
517S78.8Confident79.7Confident56 Ų5669.1 Ų69.139%0.39238%0.379SS..SBendtrans-128.7132.5-178.1-174.90000109S515S515-S517 PolarHBondContact O-N 3.49Å
518H78.3Confident79.4Confident142 Ų14272 Ų7266%0.65740%0.396SS*.  trans-73.4136.1-178.5-71.9-60.6000111.8E512 L520E512-H518 VanDerWaalsContact OE1-CA 3.28Å; E512-H518 WeakPolarHBondContact OE1-CA 3.34Å; E512-H518 IonicContact OE1-CG 3.31Å; E512-H518 IonicContact OE1-ND1 2.87Å; E512-H518 PolarHBondContact OE1-ND1 3.21Å; E512-H518 IonicContact OE2-ND1 2.67Å; E512-H518 PolarHBondContact OE2-ND1 3.28Å; H518-L520 PolarHBondContact O-N 3.37Å
519F79.2Confident79.2Confident6 Ų676 Ų763%0.02641%0.414CS..  trans-81.7116.4178.1-178.1-99000110.6Y446 V449 Y450 I453 I508 E512 L521Y446-F519 AromaticContact CD1-CD2 3.66Å; Y446-F519 HydrophobicContact CD1-CD2 3.66Å; Y446-F519 AromaticContact CD1-CE2 3.95Å; Y446-F519 HydrophobicContact CD1-CE2 3.95Å; Y446-F519 AromaticContact CE1-CD2 3.83Å; Y446-F519 HydrophobicContact CE1-CD2 3.83Å; Y446-F519 HydrophobicContact CE1-CE2 4.45Å; Y446-F519 HydrophobicContact CG-CE2 4.48Å; V449-F519 HydrophobicContact CB-CE2 4.49Å; V449-F519 HydrophobicContact CG1-CD1 4.13Å; V449-F519 HydrophobicContact CG1-CD2 3.95Å; V449-F519 HydrophobicContact CG1-CE1 3.8Å; V449-F519 HydrophobicContact CG1-CE2 3.61Å; V449-F519 HydrophobicContact CG1-CG 4.2Å; V449-F519 HydrophobicContact CG1-CZ 3.52Å; Y450-F519 HydrophobicContact CD1-CZ 4.29Å; Y450-F519 AromaticContact CE1-CE2 3.86Å; Y450-F519 HydrophobicContact CE1-CE2 3.86Å; Y450-F519 AromaticContact CE1-CZ 3.81Å; Y450-F519 HydrophobicContact CE1-CZ 3.81Å; I453-F519 HydrophobicContact CD1-CE1 3.43Å; I453-F519 VanDerWaalsContact CD1-CE1 3.43Å; I453-F519 HydrophobicContact CD1-CZ 3.55Å; I508-F519 HydrophobicContact CD1-CD1 3.77Å; I508-F519 HydrophobicContact CD1-CE1 4.15Å; I508-F519 HydrophobicContact CG1-CD1 3.91Å; I508-F519 HydrophobicContact CG1-CE1 4.43Å; I508-F519 HydrophobicContact CG1-CG 4.29Å; I508-F519 HydrophobicContact CG2-CB 3.79Å; I508-F519 HydrophobicContact CG2-CD1 4.46Å; I508-F519 HydrophobicContact CG2-CG 4.43Å; E512-F519 PolarHBondContact OE1-N 3.03Å; F519-L521 HydrophobicContact CD1-CD1 4.16Å; F519-L521 HydrophobicContact CE1-CD1 3.64Å; F519-L521 HydrophobicContact CE1-CG 4.5Å
520L77.8Confident78.9Confident103 Ų10372.3 Ų72.354%0.53940%0.396SS..BIsolated β-bridgetrans-112.5137.5177.1-61.8176.5000110.3H518 T526H518-L520 PolarHBondContact O-N 3.37Å; L520-T526 HydrophobicContact CD2-CG2 4.16Å
521L72.2Confident78.7Confident14 Ų1467.2 Ų67.27%0.07337%0.373CS..  trans-76.8163.8166.6-81.371.7000109.3F519 N523 G524 K525 F527 H530F519-L521 HydrophobicContact CD1-CD1 4.16Å; F519-L521 HydrophobicContact CE1-CD1 3.64Å; F519-L521 HydrophobicContact CE1-CG 4.5Å; L521-N523 WeakPolarHBondContact CB-OD1 3.42Å; L521-N523 PolarHBondContact O-N 2.97Å; L521-N523 VanDerWaalsContact O-N 3.09Å; L521-G524 WeakPolarHBondContact O-CA 3.34Å; L521-G524 PolarHBondContact O-N 3.06Å; L521-K525 PolarHBondContact N-O 3.44Å; L521-F527 HydrophobicContact CD1-CB 3.72Å; L521-F527 HydrophobicContact CD1-CD2 4.13Å; L521-F527 HydrophobicContact CD1-CG 4.42Å; L521-F527 HydrophobicContact CD2-CD2 4.4Å; L521-H530 HydrophobicContact CD2-CB 4Å
522S64.7Low78.7Confident59 Ų5970.5 Ų70.541%0.41339%0.392SS..THydrogen-bonded Turntrans-68.9-13.1-173.2-55.10000115.2C408 V409 G524C408-S522 VanDerWaalsContact C-OG 3.27Å; C408-S522 WeakPolarHBondContact O-CB 3.37Å; C408-S522 PolarHBondContact O-OG 2.94Å; V409-S522 WeakPolarHBondContact CA-OG 3.49Å; V409-S522 PolarHBondContact N-OG 2.91Å; S522-G524 PolarHBondContact O-N 3.02Å
523N66.1Low78.6Confident86 Ų8670.7 Ų70.746%0.4640%0.395SS..THydrogen-bonded Turntrans-80.64.3168.259.96.1000112.9L521 K525L521-N523 WeakPolarHBondContact CB-OD1 3.42Å; L521-N523 PolarHBondContact O-N 2.97Å; L521-N523 VanDerWaalsContact O-N 3.09Å; N523-K525 PolarHBondContact O-N 3.48Å; N523-K525 WeakPolarHBondContact OD1-CB 3.2Å; N523-K525 PolarHBondContact OD1-N 2.82Å
524G70.1Confident78.5Confident55 Ų5566.1 Ų66.157%0.56737%0.369SS*.SBendtrans76.32.1-176.300000114.4L521 S522L521-G524 WeakPolarHBondContact O-CA 3.34Å; L521-G524 PolarHBondContact O-N 3.06Å; S522-G524 PolarHBondContact O-N 3.02Å
525K77.1Confident78.5Confident79 Ų7960.9 Ų60.934%0.34335%0.345SS..  trans-92.7154.2-179.1-62.2-176.9174.8-178.90111.1L521 N523 E529 D533L521-K525 PolarHBondContact N-O 3.44Å; N523-K525 PolarHBondContact O-N 3.48Å; N523-K525 WeakPolarHBondContact OD1-CB 3.2Å; N523-K525 PolarHBondContact OD1-N 2.82Å; K525-E529 WeakPolarHBondContact CA-OE2 3.46Å; K525-E529 HydrophobicContact CB-CB 4.17Å; K525-E529 WeakPolarHBondContact CB-OE2 3.4Å; K525-D533 IonicContact NZ-OD2 3.3Å; K525-D533 PolarHBondContact NZ-OD2 2.89Å
526T81.6Confident78.7Confident43 Ų4362.2 Ų62.226%0.26435%0.348SS..BIsolated β-bridgetrans-70.8156.6167.559.40000110.2L520 T528 E529 H530L520-T526 HydrophobicContact CD2-CG2 4.16Å; T526-T528 PolarHBondContact O-N 3.39Å; T526-T528 PolarHBondContact OG1-OG1 3.09Å; T526-E529 PolarHBondContact N-OE2 3.08Å; T526-E529 VanDerWaalsContact N-OE2 3.17Å; T526-E529 PolarHBondContact O-N 3.15Å; T526-E529 VanDerWaalsContact OG1-CD 3.29Å; T526-E529 VanDerWaalsContact OG1-CG 3.24Å; T526-E529 WeakPolarHBondContact OG1-CG 3.42Å; T526-E529 PolarHBondContact OG1-N 2.86Å; T526-E529 PolarHBondContact OG1-OE2 2.9Å; T526-H530 PolarHBondContact O-N 3.46Å; T526-H530 VanDerWaalsContact O-N 3.09Å
527F79.9Confident79Confident4 Ų461.6 Ų61.62%0.01834%0.336CS..Hα-helixtrans-59.3-36.3177.9-177.2-118000111.9I453 Y456 A504 I505 I508 L521 H530 I531I453-F527 HydrophobicContact CB-CE2 4.43Å; I453-F527 HydrophobicContact CD1-CD2 4.24Å; I453-F527 HydrophobicContact CD1-CE2 4.43Å; I453-F527 HydrophobicContact CG1-CD2 4.09Å; I453-F527 HydrophobicContact CG1-CE2 3.8Å; I453-F527 HydrophobicContact CG1-CZ 4.14Å; I453-F527 HydrophobicContact CG2-CE2 4.09Å; Y456-F527 AromaticContact CD1-CE2 3.97Å; Y456-F527 HydrophobicContact CD1-CE2 3.97Å; Y456-F527 AromaticContact CD1-CZ 3.79Å; Y456-F527 HydrophobicContact CD1-CZ 3.79Å; Y456-F527 HydrophobicContact CE1-CE2 4.29Å; Y456-F527 HydrophobicContact CE1-CZ 4.24Å; Y456-F527 HydrophobicContact CG-CZ 4.04Å; A504-F527 HydrophobicContact CB-CD1 4.28Å; A504-F527 HydrophobicContact CB-CE1 3.33Å; A504-F527 HydrophobicContact CB-CZ 3.61Å; I505-F527 HydrophobicContact CG1-CD1 4.03Å; I505-F527 HydrophobicContact CG1-CE1 4.16Å; I508-F527 HydrophobicContact CD1-CB 3.39Å; I508-F527 HydrophobicContact CD1-CD1 3.49Å; I508-F527 VanDerWaalsContact CD1-CD1 3.49Å; I508-F527 HydrophobicContact CD1-CE1 4.41Å; I508-F527 HydrophobicContact CD1-CG 3.59Å; L521-F527 HydrophobicContact CD1-CB 3.72Å; L521-F527 HydrophobicContact CD1-CD2 4.13Å; L521-F527 HydrophobicContact CD1-CG 4.42Å; L521-F527 HydrophobicContact CD2-CD2 4.4Å; F527-H530 PolarHBondContact O-N 3.2Å; F527-I531 HydrophobicContact CD1-CD1 3.42Å; F527-I531 VanDerWaalsContact CD1-CD1 3.42Å; F527-I531 HydrophobicContact CD1-CG1 4.41Å; F527-I531 HydrophobicContact CD2-CD1 4.23Å; F527-I531 HydrophobicContact CD2-CG1 4.42Å; F527-I531 HydrophobicContact CE1-CD1 3.09Å; F527-I531 HydrophobicContact CE1-CG1 4.11Å; F527-I531 HydrophobicContact CE2-CD1 3.96Å; F527-I531 HydrophobicContact CE2-CG1 4.1Å; F527-I531 HydrophobicContact CG-CD1 3.98Å; F527-I531 HydrophobicContact CZ-CD1 3.4Å; F527-I531 HydrophobicContact CZ-CG1 3.94Å; F527-I531 WeakPolarHBondContact O-CD1 3.46Å; F527-I531 VanDerWaalsContact O-CG1 3.26Å; F527-I531 WeakPolarHBondContact O-CG1 3.39Å; F527-I531 PolarHBondContact O-N 2.84Å
528T83.2Confident79Confident77 Ų7759.9 Ų59.947%0.47232%0.321SS..Hα-helixtrans-64.3-42.1177.653.10000112.4I505 T526 I531 N532I505-T528 HydrophobicContact CD1-CG2 4.37Å; I505-T528 HydrophobicContact CG1-CG2 4.33Å; T526-T528 PolarHBondContact O-N 3.39Å; T526-T528 PolarHBondContact OG1-OG1 3.09Å; T528-I531 PolarHBondContact O-N 3.32Å; T528-N532 WeakPolarHBondContact O-CB 3.4Å; T528-N532 PolarHBondContact O-N 3.42Å
529E83.9Confident79Confident98 Ų9859.4 Ų59.446%0.45832%0.317SS..Hα-helixtrans-62.8-44.8173.6-75.3167.8178.700111.8K525 T526 I531 N532 D533K525-E529 WeakPolarHBondContact CA-OE2 3.46Å; K525-E529 HydrophobicContact CB-CB 4.17Å; K525-E529 WeakPolarHBondContact CB-OE2 3.4Å; T526-E529 PolarHBondContact N-OE2 3.08Å; T526-E529 VanDerWaalsContact N-OE2 3.17Å; T526-E529 PolarHBondContact O-N 3.15Å; T526-E529 VanDerWaalsContact OG1-CD 3.29Å; T526-E529 VanDerWaalsContact OG1-CG 3.24Å; T526-E529 WeakPolarHBondContact OG1-CG 3.42Å; T526-E529 PolarHBondContact OG1-N 2.86Å; T526-E529 PolarHBondContact OG1-OE2 2.9Å; E529-I531 VanDerWaalsContact C-N 3.35Å; E529-I531 PolarHBondContact O-N 3.44Å; E529-N532 PolarHBondContact O-N 2.93Å; E529-D533 PolarHBondContact O-N 3.39Å
530H81.6Confident78.6Confident39 Ų3963 Ų6318%0.18134%0.339CS..Hα-helixtrans-61.3-41.5179178.1-112.8000112.5E457 L521 T526 F527 K534E457-H530 IonicContact OE1-CE1 2.89Å; E457-H530 PolarHBondContact OE1-CE1 2.82Å; L521-H530 HydrophobicContact CD2-CB 4Å; T526-H530 PolarHBondContact O-N 3.46Å; T526-H530 VanDerWaalsContact O-N 3.09Å; F527-H530 PolarHBondContact O-N 3.2Å; H530-K534 WeakPolarHBondContact CE1-CE 3.34Å; H530-K534 PolarHBondContact O-N 3.49Å; H530-K534 VanDerWaalsContact O-N 3.16Å
531I83.3Confident77.8Confident3 Ų361.1 Ų61.12%0.01533%0.334CS..Hα-helixtrans-66.4-44.2175.7-67.8161.9000111.5Y456 E501 I505 F527 T528 E529 D533 K534 W535Y456-I531 HydrophobicContact CE1-CG1 3.96Å; Y456-I531 HydrophobicContact CE2-CG1 4.39Å; E501-I531 HydrophobicContact CG-CD1 3.77Å; E501-I531 HydrophobicContact CG-CG2 4.16Å; I505-I531 HydrophobicContact CD1-CD1 4.48Å; F527-I531 HydrophobicContact CD1-CD1 3.42Å; F527-I531 VanDerWaalsContact CD1-CD1 3.42Å; F527-I531 HydrophobicContact CD1-CG1 4.41Å; F527-I531 HydrophobicContact CD2-CD1 4.23Å; F527-I531 HydrophobicContact CD2-CG1 4.42Å; F527-I531 HydrophobicContact CE1-CD1 3.09Å; F527-I531 HydrophobicContact CE1-CG1 4.11Å; F527-I531 HydrophobicContact CE2-CD1 3.96Å; F527-I531 HydrophobicContact CE2-CG1 4.1Å; F527-I531 HydrophobicContact CG-CD1 3.98Å; F527-I531 HydrophobicContact CZ-CD1 3.4Å; F527-I531 HydrophobicContact CZ-CG1 3.94Å; F527-I531 WeakPolarHBondContact O-CD1 3.46Å; F527-I531 VanDerWaalsContact O-CG1 3.26Å; F527-I531 WeakPolarHBondContact O-CG1 3.39Å; F527-I531 PolarHBondContact O-N 2.84Å; T528-I531 PolarHBondContact O-N 3.32Å; E529-I531 VanDerWaalsContact C-N 3.35Å; E529-I531 PolarHBondContact O-N 3.44Å; I531-D533 VanDerWaalsContact C-N 3.32Å; I531-D533 PolarHBondContact O-N 2.86Å; I531-K534 WeakPolarHBondContact O-CB 3.28Å; I531-K534 PolarHBondContact O-N 2.97Å; I531-K534 VanDerWaalsContact O-N 3.14Å; I531-W535 VanDerWaalsContact CG2-CD1 3.44Å; I531-W535 PolarHBondContact O-N 3.4Å
532N84.6Confident77.2Confident92 Ų9264.7 Ų64.749%0.49235%0.349SS..Hα-helixtrans-61.2-42.6179.9-168.416.8000111.2T528 E529 K534 W535 N536T528-N532 WeakPolarHBondContact O-CB 3.4Å; T528-N532 PolarHBondContact O-N 3.42Å; E529-N532 PolarHBondContact O-N 2.93Å; N532-K534 VanDerWaalsContact C-N 3.34Å; N532-K534 PolarHBondContact O-N 2.94Å; N532-W535 PolarHBondContact O-N 3.01Å; N532-N536 WeakPolarHBondContact O-CB 3.38Å; N532-N536 PolarHBondContact O-N 3.29Å; N532-N536 PolarHBondContact O-ND2 2.71Å; N532-N536 PolarHBondContact OD1-ND2 2.94Å
533D84Confident76.6Confident61 Ų6165.7 Ų65.733%0.32635%0.35SS..Hα-helixtrans-59.6-43.3173.9-75.8-14.3000111.9K525 E529 I531 N536 N537K525-D533 IonicContact NZ-OD2 3.3Å; K525-D533 PolarHBondContact NZ-OD2 2.89Å; E529-D533 PolarHBondContact O-N 3.39Å; I531-D533 VanDerWaalsContact C-N 3.32Å; I531-D533 PolarHBondContact O-N 2.86Å; D533-N536 PolarHBondContact O-N 2.81Å; D533-N537 WeakPolarHBondContact O-CB 3.42Å; D533-N537 VanDerWaalsContact O-CG 3.3Å; D533-N537 PolarHBondContact O-N 3.27Å; D533-N537 PolarHBondContact O-ND2 2.88Å
534K83.6Confident75.9Confident36 Ų3665.5 Ų65.516%0.15735%0.352CS..Hα-helixtrans-61.5-45.7175.8-83.8-176.3169.4-171.10112.4Y456 E457 W460 H530 I531 N532 N537 Y538Y456-K534 HydrophobicContact CE1-CD 4.5Å; E457-K534 IonicContact OE1-NZ 2.67Å; E457-K534 PolarHBondContact OE1-NZ 3.15Å; E457-K534 IonicContact OE2-NZ 2.63Å; E457-K534 PolarHBondContact OE2-NZ 3.41Å; W460-K534 HydrophobicContact CD2-CD 4.3Å; W460-K534 HydrophobicContact CH2-CB 3.93Å; W460-K534 HydrophobicContact CZ2-CB 3.64Å; W460-K534 HydrophobicContact CZ2-CD 4.49Å; W460-K534 HydrophobicContact CZ2-CG 4.38Å; H530-K534 WeakPolarHBondContact CE1-CE 3.34Å; H530-K534 PolarHBondContact O-N 3.49Å; H530-K534 VanDerWaalsContact O-N 3.16Å; I531-K534 WeakPolarHBondContact O-CB 3.28Å; I531-K534 PolarHBondContact O-N 2.97Å; I531-K534 VanDerWaalsContact O-N 3.14Å; N532-K534 VanDerWaalsContact C-N 3.34Å; N532-K534 PolarHBondContact O-N 2.94Å; K534-N537 PolarHBondContact O-N 2.97Å; K534-Y538 WeakPolarHBondContact O-CB 3.45Å; K534-Y538 PolarHBondContact O-N 3.19Å
535W84.6Confident75Confident58 Ų5865.4 Ų65.422%0.2234%0.343CS..Hα-helixtrans-65.8-38176.3-83.3111.1000113W460 L494 V497 E498 E501 I531 N532 Y538 K539W460-W535 AromaticContact CH2-CD2 3.97Å; W460-W535 HydrophobicContact CH2-CD2 3.97Å; W460-W535 HydrophobicContact CH2-CE3 4.35Å; W460-W535 HydrophobicContact CH2-CG 4.12Å; W460-W535 HydrophobicContact CZ3-CD2 4.01Å; W460-W535 AromaticContact CZ3-CE2 3.75Å; W460-W535 HydrophobicContact CZ3-CG 4.3Å; W460-W535 HydrophobicContact CZ3-CZ2 4.14Å; W460-W535 AromaticContact CZ3-NE1 3.88Å; L494-W535 HydrophobicContact CD2-CH2 3.94Å; L494-W535 HydrophobicContact CD2-CZ3 4.23Å; V497-W535 HydrophobicContact CG1-CZ2 3.94Å; E498-W535 HydrophobicContact CG-CH2 4.48Å; E498-W535 HydrophobicContact CG-CZ2 4.1Å; E501-W535 PolarHBondContact OE2-NE1 3.38Å; I531-W535 VanDerWaalsContact CG2-CD1 3.44Å; I531-W535 PolarHBondContact O-N 3.4Å; N532-W535 PolarHBondContact O-N 3.01Å; W535-Y538 AromaticContact CE3-CD1 3.99Å; W535-Y538 HydrophobicContact CE3-CD1 3.99Å; W535-Y538 HydrophobicContact CZ3-CD1 4.02Å; W535-Y538 HydrophobicContact CZ3-CE1 4.26Å; W535-Y538 WeakPolarHBondContact O-CB 3.3Å; W535-Y538 PolarHBondContact O-N 3.36Å; W535-K539 WeakPolarHBondContact O-CB 3.45Å; W535-K539 PolarHBondContact O-N 3.31Å
536N84.2Confident73.6Confident77 Ų7767.7 Ų67.741%0.41235%0.352SS..Hα-helixtrans-63.9-46.2175.7-73.1-33.5000111.1N532 D533 Y538 K539 T540N532-N536 WeakPolarHBondContact O-CB 3.38Å; N532-N536 PolarHBondContact O-N 3.29Å; N532-N536 PolarHBondContact O-ND2 2.71Å; N532-N536 PolarHBondContact OD1-ND2 2.94Å; D533-N536 PolarHBondContact O-N 2.81Å; N536-Y538 VanDerWaalsContact C-N 3.31Å; N536-Y538 PolarHBondContact O-N 3.03Å; N536-K539 PolarHBondContact O-N 2.9Å; N536-T540 WeakPolarHBondContact O-CG2 3.41Å; N536-T540 PolarHBondContact O-N 2.97Å; N536-T540 PolarHBondContact O-OG1 3.09Å
537N80.5Confident71.6Confident105 Ų10568.8 Ų68.856%0.56136%0.362SS*.Hα-helixtrans-64.5-35.1175.1-72.3-29.6000112.8D533 K534 T540 C541D533-N537 WeakPolarHBondContact O-CB 3.42Å; D533-N537 VanDerWaalsContact O-CG 3.3Å; D533-N537 PolarHBondContact O-N 3.27Å; D533-N537 PolarHBondContact O-ND2 2.88Å; K534-N537 PolarHBondContact O-N 2.97Å; N537-T540 PolarHBondContact O-OG1 3.07Å; N537-C541 PolarHBondContact O-N 2.99Å; N537-C541 PolarHBondContact O-SG 3.45Å
538Y78.6Confident69.7Low20 Ų2078.7 Ų78.78%0.07840%0.399CS..Hα-helixtrans-63-42.3173.5-179.1-103.8000111.9I464 E467 K490 K534 W535 N536 K542I464-Y538 HydrophobicContact CD1-CD2 4.13Å; I464-Y538 HydrophobicContact CD1-CE2 4.48Å; E467-Y538 WeakPolarHBondContact OE2-CE2 3.06Å; E467-Y538 VanDerWaalsContact OE2-CZ 3.26Å; E467-Y538 PolarHBondContact OE2-OH 2.83Å; K490-Y538 VanDerWaalsContact CE-OH 3.25Å; K490-Y538 WeakPolarHBondContact CE-OH 3.49Å; K490-Y538 PolarHBondContact NZ-OH 3.48Å; K534-Y538 WeakPolarHBondContact O-CB 3.45Å; K534-Y538 PolarHBondContact O-N 3.19Å; W535-Y538 AromaticContact CE3-CD1 3.99Å; W535-Y538 HydrophobicContact CE3-CD1 3.99Å; W535-Y538 HydrophobicContact CZ3-CD1 4.02Å; W535-Y538 HydrophobicContact CZ3-CE1 4.26Å; W535-Y538 WeakPolarHBondContact O-CB 3.3Å; W535-Y538 PolarHBondContact O-N 3.36Å; N536-Y538 VanDerWaalsContact C-N 3.31Å; N536-Y538 PolarHBondContact O-N 3.03Å; Y538-K542 PolarHBondContact O-N 3.31Å
539K77.5Confident67.6Low133 Ų13384.6 Ų84.658%0.57841%0.413SS*.Hα-helixtrans-67.6-42.9179.3-166.3174.5179.7-178.80112.2W535 N536 C541 K542 D543W535-K539 WeakPolarHBondContact O-CB 3.45Å; W535-K539 PolarHBondContact O-N 3.31Å; N536-K539 PolarHBondContact O-N 2.9Å; K539-C541 PolarHBondContact O-N 3.11Å; K539-K542 WeakPolarHBondContact O-CB 3.37Å; K539-K542 PolarHBondContact O-N 2.98Å; K539-K542 VanDerWaalsContact O-N 3.17Å; K539-D543 PolarHBondContact O-N 2.83Å; K539-D543 VanDerWaalsContact O-N 3.13Å
540T70.9Confident65.4Low80 Ų8084.7 Ų84.749%0.49142%0.424SS..Hα-helixtrans-64.5-38.4178.657.30000112.6N536 N537 K542 D543 T544N536-T540 WeakPolarHBondContact O-CG2 3.41Å; N536-T540 PolarHBondContact O-N 2.97Å; N536-T540 PolarHBondContact O-OG1 3.09Å; N537-T540 PolarHBondContact O-OG1 3.07Å; T540-K542 VanDerWaalsContact C-N 3.3Å; T540-K542 PolarHBondContact O-N 3.27Å; T540-D543 PolarHBondContact O-N 3.43Å; T540-T544 WeakPolarHBondContact O-CG2 3.48Å; T540-T544 PolarHBondContact O-N 3.4Å; T540-T544 VanDerWaalsContact O-N 3.14Å; T540-T544 PolarHBondContact O-OG1 2.84Å; T540-T544 VanDerWaalsContact O-OG1 3.04Å
541C61.1Low63.4Low64 Ų6488.1 Ų88.143%0.43244%0.443SS..Hα-helixtrans-65.2-31.7174.2-73.80000113.3N537 K539 T544 S545N537-C541 PolarHBondContact O-N 2.99Å; N537-C541 PolarHBondContact O-SG 3.45Å; K539-C541 PolarHBondContact O-N 3.11Å; C541-T544 PolarHBondContact O-OG1 2.77Å; C541-T544 VanDerWaalsContact O-OG1 3.06Å; C541-S545 PolarHBondContact O-N 3.27Å; C541-S545 PolarHBondContact O-OG 2.85Å
542K59.4Low61.1Low89 Ų8993.2 Ų93.239%0.38747%0.474SS..Hα-helixtrans-71.7-41.3177.2-170.4-178.4-178.3-179.70111.9Y538 K539 T540 S545 K546Y538-K542 PolarHBondContact O-N 3.31Å; K539-K542 WeakPolarHBondContact O-CB 3.37Å; K539-K542 PolarHBondContact O-N 2.98Å; K539-K542 VanDerWaalsContact O-N 3.17Å; T540-K542 VanDerWaalsContact C-N 3.3Å; T540-K542 PolarHBondContact O-N 3.27Å; K542-S545 PolarHBondContact O-N 2.99Å; K542-K546 PolarHBondContact O-N 3.38Å; K542-K546 VanDerWaalsContact O-N 3.12Å
543D52.4Low58.9Low80 Ų8094 Ų9443%0.42848%0.484SS..Hα-helixtrans-75.8-37.4-176.3-69.3-24.2000112.4K539 T540 S545 K546 S547K539-D543 PolarHBondContact O-N 2.83Å; K539-D543 VanDerWaalsContact O-N 3.13Å; T540-D543 PolarHBondContact O-N 3.43Å; D543-S545 PolarHBondContact O-N 3.49Å; D543-K546 PolarHBondContact O-N 3.11Å; D543-S547 WeakPolarHBondContact O-CB 3.37Å; D543-S547 PolarHBondContact O-N 3.35Å
544T52.2Low56.6Low83 Ų8397 Ų9751%0.50951%0.505SS..Hα-helixtrans-60.3-34.7171.150.60000112.4T540 C541 R548T540-T544 WeakPolarHBondContact O-CG2 3.48Å; T540-T544 PolarHBondContact O-N 3.4Å; T540-T544 VanDerWaalsContact O-N 3.14Å; T540-T544 PolarHBondContact O-OG1 2.84Å; T540-T544 VanDerWaalsContact O-OG1 3.04Å; C541-T544 PolarHBondContact O-OG1 2.77Å; C541-T544 VanDerWaalsContact O-OG1 3.06Å; T544-R548 PolarHBondContact O-N 3Å
545S50.1Low54.1Low53 Ų5399.8 Ų99.837%0.37154%0.535SS..Hα-helixtrans-73-36.3176.3-60.70000113.1C541 K542 D543 R549C541-S545 PolarHBondContact O-N 3.27Å; C541-S545 PolarHBondContact O-OG 2.85Å; K542-S545 PolarHBondContact O-N 2.99Å; D543-S545 PolarHBondContact O-N 3.49Å; S545-R549 PolarHBondContact O-N 3.41Å
546K48.1Very low51.5Low126 Ų126102.2 Ų102.255%0.54856%0.56SS.*Hα-helixtrans-69.1-40.6172.7-76.2178.7179.5166.80111.8K542 D543 R548 R549 S550K542-K546 PolarHBondContact O-N 3.38Å; K542-K546 VanDerWaalsContact O-N 3.12Å; D543-K546 PolarHBondContact O-N 3.11Å; K546-R548 VanDerWaalsContact C-N 3.33Å; K546-R548 PolarHBondContact O-N 3.3Å; K546-R549 PolarHBondContact O-N 2.96Å; K546-R549 VanDerWaalsContact O-N 3.14Å; K546-S550 PolarHBondContact O-N 3.46Å
547S40.6Very low48.9Very low67 Ų67104.9 Ų104.947%0.46957%0.574SS.*Hα-helixtrans-60.3-42.4178.2-1710000111.3D543 R549 S550 I551D543-S547 WeakPolarHBondContact O-CB 3.37Å; D543-S547 PolarHBondContact O-N 3.35Å; S547-R549 VanDerWaalsContact C-N 3.34Å; S547-R549 PolarHBondContact O-N 2.98Å; S547-S550 PolarHBondContact O-N 2.93Å; S547-S550 VanDerWaalsContact O-N 3.09Å; S547-I551 WeakPolarHBondContact O-CD1 3.43Å; S547-I551 WeakPolarHBondContact O-CG1 3.46Å; S547-I551 PolarHBondContact O-N 2.86Å
548R38.9Very low46.4Very low211 Ų211106.6 Ų106.680%0.79658%0.583SS**Hα-helixtrans-65.3-29.2175.3-74-170.4-155.9-141.84114.6T544 K546 S550T544-R548 PolarHBondContact O-N 3Å; K546-R548 VanDerWaalsContact C-N 3.33Å; K546-R548 PolarHBondContact O-N 3.3Å; R548-S550 VanDerWaalsContact C-N 3.34Å
549R39.3Very low44.2Very low201 Ų201111.9 Ų111.976%0.75861%0.613SS**Hα-helixtrans-75.4-22.1173-83.1-174.5-162.1158.46.9113.5S545 K546 S547 I551S545-R549 PolarHBondContact O-N 3.41Å; K546-R549 PolarHBondContact O-N 2.96Å; K546-R549 VanDerWaalsContact O-N 3.14Å; S547-R549 VanDerWaalsContact C-N 3.34Å; S547-R549 PolarHBondContact O-N 2.98Å; R549-I551 VanDerWaalsContact C-N 3.31Å
550S37Very low41.8Very low100 Ų100111 Ų11170%0.69962%0.624SS**Hα-helixtrans-81.1-11.2175.7-174.60000113.3K546 S547 R548K546-S550 PolarHBondContact O-N 3.46Å; S547-S550 PolarHBondContact O-N 2.93Å; S547-S550 VanDerWaalsContact O-N 3.09Å; R548-S550 VanDerWaalsContact C-N 3.34Å
551I39.5Very low40.1Very low111 Ų111112.2 Ų112.257%0.56964%0.635SS**  trans-108.565.6-177.6-50.9156.9000108.2S547 R549S547-I551 WeakPolarHBondContact O-CD1 3.43Å; S547-I551 WeakPolarHBondContact O-CG1 3.46Å; S547-I551 PolarHBondContact O-N 2.86Å; R549-I551 VanDerWaalsContact C-N 3.31Å
552V36.5Very low38.5Very low111 Ų111115.8 Ų115.867%0.67366%0.655SS**  trans-94.8106.7142.3179.60000104.4T554V552-T554 VanDerWaalsContact C-N 3.26Å; V552-T554 PolarHBondContact O-N 2.71Å
553P38.4Very low37.3Very low108 Ų108118 Ų11870%0.70168%0.676SS**  trans-6795.8172.920.4-15.7000106.2A555P553-A555 VanDerWaalsContact C-N 3.32Å; P553-A555 PolarHBondContact O-N 3.35Å
554T34.8Very low36.2Very low125 Ų125120.9 Ų120.977%0.76769%0.692SS**  trans-66.1103.816337.80000105.1V552 S556V552-T554 VanDerWaalsContact C-N 3.26Å; V552-T554 PolarHBondContact O-N 2.71Å; T554-S556 PolarHBondContact O-N 2.84Å; T554-S556 VanDerWaalsContact O-N 3.11Å
555A31.8Very low35.2Very low94 Ų94123.9 Ų123.978%0.77771%0.705SS**  trans-48.4121.9174.200000108.3P553 N557P553-A555 VanDerWaalsContact C-N 3.32Å; P553-A555 PolarHBondContact O-N 3.35Å; A555-N557 PolarHBondContact O-N 3.03Å
556S30.2Very low34.2Very low108 Ų108127.7 Ų127.776%0.75572%0.721SS**  trans-42.7104.7178.6-51.80000111.3T554T554-S556 PolarHBondContact O-N 2.84Å; T554-S556 VanDerWaalsContact O-N 3.11Å
557N28.9Very low33.5Very low133 Ų133129 Ų12971%0.71173%0.734SS**  trans-108.583.5155.6-161.827.2000107.4A555 N559A555-N557 PolarHBondContact O-N 3.03Å; N557-N559 PolarHBondContact O-N 2.96Å
558N29Very low33Very low141 Ų141132.7 Ų132.775%0.75475%0.748SS**  trans-65.980.4170.1-79-15.8000108.7
559N32.4Very low32.8Very low131 Ų131130.3 Ų130.370%0.70175%0.751SS**  trans-92.397.6158.6-89.9-1.2000108.3N557 S561N557-N559 PolarHBondContact O-N 2.96Å; N559-S561 PolarHBondContact O-N 3.01Å
560S27.1Very low32.6Very low115 Ų115126 Ų12680%0.80475%0.752SS**  trans-54117.2162.7-50.40000110.1
561S33.9Very low32.5Very low105 Ų105124.4 Ų124.473%0.73475%0.752SS**  trans-155.696.5152.5530000109.3N559 V563N559-S561 PolarHBondContact O-N 3.01Å; S561-V563 PolarHBondContact O-N 3.25Å
562T27.8Very low32.2Very low139 Ų139126.9 Ų126.985%0.85377%0.766SS**  trans-58.5110.8167.2-41.70000109.3
563V34.4Very low32.4Very low135 Ų135128.2 Ų128.282%0.81877%0.774SS**  trans-130.996.6157.2-178.80000107.5S561S561-V563 PolarHBondContact O-N 3.25Å
564N28.6Very low32.2Very low142 Ų142129 Ų12976%0.75978%0.778SS**  trans-76.5116.6166.3-176.725.7000107.7
565N32.8Very low32.1Very low146 Ų146133.7 Ų133.778%0.78178%0.781SS**  trans-154.2123.7150.8-146.65.1000112.4
566N28.7Very low32.6Very low133 Ų133134.8 Ų134.871%0.71178%0.78SS**  trans-48.3145.2161.8-74.4-31.8000111.2
567N32.6Very low32.9Very low152 Ų152135.7 Ų135.781%0.81378%0.781SS**  -180144.395-141.30.3000111.7
568N31.4Very low33.3Very low145 Ų145134.7 Ų134.778%0.77579%0.785SS**  trans-57139.5169.4-67.4-44000111.7
569N34.4Very low33.8Very low162 Ų162132 Ų13287%0.86678%0.783SS**  trans-147.9110.4140.9-155.213.9000111.6G571N569-G571 PolarHBondContact O-N 2.9Å
570S34Very low34Very low109 Ų109133.3 Ų133.376%0.76279%0.789SS**  trans-70.3117.1169.6-570000109.4
571G35.7Very low34.6Very low68 Ų68136 Ų13670%0.70179%0.794SS**  trans-117.688169.200000110.2N569 T573N569-G571 PolarHBondContact O-N 2.9Å; G571-T573 PolarHBondContact O-N 3.22Å
572N33.4Very low35Very low162 Ų162136.4 Ų136.487%0.86680%0.797SS**  trans-55.7107.7169.5-85.3-14.8000109.7
573T39.5Very low35.5Very low139 Ų139133.4 Ų133.485%0.85379%0.793SS**  trans-90.1114.7163.8-64.80000108G571G571-T573 PolarHBondContact O-N 3.22Å
574T34.4Very low35.9Very low125 Ų125132.1 Ų132.177%0.76779%0.79SS**PPolyproline II helixtrans-65.2132.6-176.240.50000111.8
575R34.2Very low36.9Very low224 Ų224131.2 Ų131.285%0.84579%0.792SS**PPolyproline II helixtrans-72.2127.8170.6-179.1-179.1-178-1710.5109.4T577R575-T577 PolarHBondContact O-N 3.23Å
576P41.9Very low37.4Very low116 Ų116129.6 Ų129.675%0.75379%0.787SS**PPolyproline II helixtrans-79.6117.6163.86.210.4000108.5
577T35.4Very low38.3Very low127 Ų127128 Ų12878%0.77979%0.792SS**PPolyproline II helixtrans-76.4118.4163.2-56.70000107.1R575R575-T577 PolarHBondContact O-N 3.23Å
578S38.9Very low39Very low113 Ų113128.4 Ų128.479%0.7979%0.789SS**  trans-127.8107.8166.7-75.30000109.8
579A39.5Very low39.6Very low85 Ų85131.2 Ų131.270%0.70281%0.812SS**  trans10.1113.8154.300000119.2L581A579-L581 PolarHBondContact O-N 3.07Å
580N36.3Very low39.8Very low157 Ų157129.7 Ų129.784%0.8481%0.809SS**  2.2109.7125.4-122.11.8000115.8
581L40.1Very low40.1Very low171 Ų171130.8 Ų130.890%0.89581%0.812SS**  trans-116.395.5156.9-75.8172.1000107.7A579 G583A579-L581 PolarHBondContact O-N 3.07Å; L581-G583 PolarHBondContact O-N 3.44Å
582S41.4Very low40.4Very low115 Ų115134.3 Ų134.380%0.80482%0.818SS**  trans-71.798.3164.852.10000108.7
583G38Very low40.8Very low75 Ų75132.6 Ų132.677%0.77382%0.815SS**  trans-87115.1168.300000110.1L581L581-G583 PolarHBondContact O-N 3.44Å
584S43.4Very low40.9Very low108 Ų108132.3 Ų132.376%0.75581%0.813SS**  trans-65146.2-179.9-152.90000112.5
585P48.8Very low41.3Very low124 Ų124132.7 Ų132.781%0.80582%0.816SS**  trans-76.9126.6178.130.8-31.9000111.1
586V44.5Very low41.8Very low112 Ų112126.2 Ų126.268%0.67981%0.813SS**  trans-84.3114.1176.4177.20000108.8
587A47.1Very low41.8Very low98 Ų98127 Ų12781%0.8182%0.818SS**  trans-77.1113.716200000108.2
588H46.3Very low42.4Very low162 Ų162127 Ų12775%0.7582%0.821SS**  trans-92.4112164.8-86.5-72.6000108.3
589T44Very low42.7Very low204 Ų204128.3 Ų128.3100%1.25282%0.824SS**  trans19.8014553.40000119

Retrieved 589 of 589 residues in 337.7 ms (Link to these results)

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