A0A3Q0KF40_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KF40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 490 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
1M65.4Low79.6Confident213 Ų213118.5 Ų118.5100%1.04960%0.603SS**  0-47.20-154.5176.6-6700111.3S3 G4 M5M1-S3 PolarHBondContact O-N 2.87Å; M1-G4 PolarHBondContact O-N 3.41Å; M1-M5 PolarHBondContact O-N 3.47Å
2E72.9Confident80.6Confident161 Ų161115.3 Ų115.375%0.75259%0.594SS**Hα-helixtrans-60.6-40.1179-67.2-176.5150.800115.1G4 M5 F6E2-G4 VanDerWaalsContact C-N 3.35Å; E2-G4 PolarHBondContact O-N 3.44Å; E2-M5 PolarHBondContact O-N 3.39Å; E2-F6 PolarHBondContact O-N 3.26Å
3S75.7Confident81.3Confident101 Ų101113.3 Ų113.371%0.70658%0.584SS**Hα-helixtrans-62.6-39.1178.154.30000113.2M1 S7M1-S3 PolarHBondContact O-N 2.87Å; S3-S7 PolarHBondContact O-N 2.74Å; S3-S7 VanDerWaalsContact O-N 3.08Å
4G78.5Confident81.8Confident42 Ų42111 Ų11143%0.43357%0.573SS.*Hα-helixtrans-65.6-47.3175.300000111.8M1 E2 F6 S7 E8M1-G4 PolarHBondContact O-N 3.41Å; E2-G4 VanDerWaalsContact C-N 3.35Å; E2-G4 PolarHBondContact O-N 3.44Å; G4-F6 VanDerWaalsContact C-N 3.31Å; G4-F6 PolarHBondContact O-N 2.84Å; G4-S7 WeakPolarHBondContact O-CB 3.32Å; G4-S7 PolarHBondContact O-N 2.93Å; G4-E8 PolarHBondContact O-N 2.85Å
5M72.1Confident82.5Confident98 Ų98109.3 Ų109.348%0.48357%0.57SS.*Hα-helixtrans-61.8-37.7177.2-173.9-178.360.700112.1M1 E2 K9M1-M5 PolarHBondContact O-N 3.47Å; E2-M5 PolarHBondContact O-N 3.39Å; M5-K9 HydrophobicContact CG-CD 4.46Å; M5-K9 WeakPolarHBondContact O-CB 3.45Å; M5-K9 WeakPolarHBondContact O-CG 3.28Å; M5-K9 PolarHBondContact O-N 3.29Å
6F79Confident83.2Confident129 Ų129107.9 Ų107.957%0.56656%0.562SS**Hα-helixtrans-67.4-40.9176.3-161.5-78.2000112.1E2 G4 R10E2-F6 PolarHBondContact O-N 3.26Å; G4-F6 VanDerWaalsContact C-N 3.31Å; G4-F6 PolarHBondContact O-N 2.84Å; F6-R10 WeakPolarHBondContact O-CB 3.36Å; F6-R10 PolarHBondContact O-N 3.29Å
7S84.7Confident83.7Confident62 Ų62107.6 Ų107.643%0.43456%0.556SS.*Hα-helixtrans-62.6-45.6176.2-172.20000111.7S3 G4 R10 N11S3-S7 PolarHBondContact O-N 2.74Å; S3-S7 VanDerWaalsContact O-N 3.08Å; G4-S7 WeakPolarHBondContact O-CB 3.32Å; G4-S7 PolarHBondContact O-N 2.93Å; S7-R10 PolarHBondContact O-N 2.9Å; S7-N11 PolarHBondContact O-N 3.49Å; S7-N11 PolarHBondContact O-ND2 2.93Å
8E86.4Confident84.3Confident131 Ų131106.4 Ų106.461%0.61255%0.546SS*.Hα-helixtrans-62.6-48.6178.2-170.9178.8-178.300111.9G4 R10 N11 V12G4-E8 PolarHBondContact O-N 2.85Å; E8-R10 VanDerWaalsContact C-N 3.29Å; E8-R10 PolarHBondContact O-N 3.25Å; E8-N11 PolarHBondContact O-N 2.98Å; E8-N11 VanDerWaalsContact O-N 3.12Å; E8-V12 WeakPolarHBondContact O-CG2 3.47Å; E8-V12 PolarHBondContact O-N 2.92Å
9K86.4Confident84.8Confident134 Ų134103.5 Ų103.558%0.58354%0.535SS*.Hα-helixtrans-57.8-41.2175.5-75-178.7179.8-179.40112.2M5 L13M5-K9 HydrophobicContact CG-CD 4.46Å; M5-K9 WeakPolarHBondContact O-CB 3.45Å; M5-K9 WeakPolarHBondContact O-CG 3.28Å; M5-K9 PolarHBondContact O-N 3.29Å; K9-L13 WeakPolarHBondContact O-CB 3.35Å; K9-L13 PolarHBondContact O-N 2.9Å
10R86.6Confident85.4Confident144 Ų144102.9 Ų102.954%0.54353%0.532SS..Hα-helixtrans-64.1-41.8176.5-173.1-175.5-67.2-176.1-1.6111.5F6 S7 E8 L13 N14F6-R10 WeakPolarHBondContact O-CB 3.36Å; F6-R10 PolarHBondContact O-N 3.29Å; S7-R10 PolarHBondContact O-N 2.9Å; E8-R10 VanDerWaalsContact C-N 3.29Å; E8-R10 PolarHBondContact O-N 3.25Å; R10-L13 PolarHBondContact O-N 3.45Å; R10-N14 WeakPolarHBondContact O-CB 3.41Å; R10-N14 PolarHBondContact O-N 3.35Å; R10-N14 PolarHBondContact O-ND2 2.91Å
11N88Confident85.8Confident88 Ų8898.7 Ų98.747%0.47151%0.511SS..Hα-helixtrans-66-43.1178-69.3-18.8000112.1S7 E8 N14 T15S7-N11 PolarHBondContact O-N 3.49Å; S7-N11 PolarHBondContact O-ND2 2.93Å; E8-N11 PolarHBondContact O-N 2.98Å; E8-N11 VanDerWaalsContact O-N 3.12Å; N11-N14 PolarHBondContact O-N 3.48Å; N11-T15 WeakPolarHBondContact O-CB 3.31Å; N11-T15 PolarHBondContact O-N 3.43Å; N11-T15 PolarHBondContact O-OG1 3.41Å
12V91.1Very high87.3Confident81 Ų8191.8 Ų91.849%0.49148%0.477SS..Hα-helixtrans-60.8-46.6174.8173.40000110.4E8 N14 T15 I16E8-V12 WeakPolarHBondContact O-CG2 3.47Å; E8-V12 PolarHBondContact O-N 2.92Å; V12-N14 PolarHBondContact O-N 3.47Å; V12-T15 WeakPolarHBondContact O-CB 3.27Å; V12-T15 PolarHBondContact O-N 3.33Å; V12-I16 HydrophobicContact CG1-CD1 3.96Å; V12-I16 WeakPolarHBondContact O-CG1 3.5Å; V12-I16 PolarHBondContact O-N 3.31Å
13L90.2Very high88.4Confident89 Ų8988 Ų8847%0.46646%0.461SS..Hα-helixtrans-61.5-45.7178.6-175.963000112.2K9 R10 T15 I16 F17K9-L13 WeakPolarHBondContact O-CB 3.35Å; K9-L13 PolarHBondContact O-N 2.9Å; R10-L13 PolarHBondContact O-N 3.45Å; L13-T15 VanDerWaalsContact C-N 3.3Å; L13-T15 PolarHBondContact O-N 3.21Å; L13-I16 PolarHBondContact O-N 3.32Å; L13-F17 HydrophobicContact CD1-CD2 3.93Å; L13-F17 HydrophobicContact CD1-CE2 3.44Å; L13-F17 VanDerWaalsContact CD1-CE2 3.44Å; L13-F17 HydrophobicContact CD1-CZ 4.23Å; L13-F17 HydrophobicContact CD2-CE2 3.97Å; L13-F17 HydrophobicContact CG-CD2 3.75Å; L13-F17 HydrophobicContact CG-CE2 3.48Å; L13-F17 VanDerWaalsContact CG-CE2 3.48Å; L13-F17 WeakPolarHBondContact O-CD2 3.19Å; L13-F17 PolarHBondContact O-N 3.02Å
14N88.3Confident89.4Confident81 Ų8184.3 Ų84.343%0.43344%0.435SS..Hα-helixtrans-60.4-40.5175.6-73.1-11.6000111.7R10 N11 V12 F17 F18R10-N14 WeakPolarHBondContact O-CB 3.41Å; R10-N14 PolarHBondContact O-N 3.35Å; R10-N14 PolarHBondContact O-ND2 2.91Å; N11-N14 PolarHBondContact O-N 3.48Å; V12-N14 PolarHBondContact O-N 3.47Å; N14-F17 PolarHBondContact O-N 2.72Å; N14-F18 WeakPolarHBondContact O-CB 3.43Å; N14-F18 PolarHBondContact O-N 2.98Å
15T91.8Very high90.3Very high85 Ų8583 Ų8352%0.52142%0.421SS..Hα-helixtrans-63.6-41.7177-56.20000111.6N11 V12 L13 S19N11-T15 WeakPolarHBondContact O-CB 3.31Å; N11-T15 PolarHBondContact O-N 3.43Å; N11-T15 PolarHBondContact O-OG1 3.41Å; V12-T15 WeakPolarHBondContact O-CB 3.27Å; V12-T15 PolarHBondContact O-N 3.33Å; L13-T15 VanDerWaalsContact C-N 3.3Å; L13-T15 PolarHBondContact O-N 3.21Å; T15-S19 WeakPolarHBondContact O-CB 3.33Å; T15-S19 PolarHBondContact O-N 2.9Å; T15-S19 PolarHBondContact O-OG 3.08Å
16I93.7Very high91.5Very high87 Ų8783 Ų8345%0.44642%0.421SS..Hα-helixtrans-62.9-48.9174.7-67.5166000110.1V12 L13 F18 S19 L20V12-I16 HydrophobicContact CG1-CD1 3.96Å; V12-I16 WeakPolarHBondContact O-CG1 3.5Å; V12-I16 PolarHBondContact O-N 3.31Å; L13-I16 PolarHBondContact O-N 3.32Å; I16-F18 PolarHBondContact O-N 3.19Å; I16-S19 PolarHBondContact O-N 3.47Å; I16-L20 HydrophobicContact CG2-CD1 3.99Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 3.38Å
17F92Very high92.3Very high104 Ų10482 Ų8246%0.45642%0.417SS..Hα-helixtrans-59.3-46.2178.2-82.2-62.2000112.1L13 N14 S19 L20 Q21L13-F17 HydrophobicContact CD1-CD2 3.93Å; L13-F17 HydrophobicContact CD1-CE2 3.44Å; L13-F17 VanDerWaalsContact CD1-CE2 3.44Å; L13-F17 HydrophobicContact CD1-CZ 4.23Å; L13-F17 HydrophobicContact CD2-CE2 3.97Å; L13-F17 HydrophobicContact CG-CD2 3.75Å; L13-F17 HydrophobicContact CG-CE2 3.48Å; L13-F17 VanDerWaalsContact CG-CE2 3.48Å; L13-F17 WeakPolarHBondContact O-CD2 3.19Å; L13-F17 PolarHBondContact O-N 3.02Å; N14-F17 PolarHBondContact O-N 2.72Å; F17-S19 VanDerWaalsContact C-N 3.33Å; F17-S19 PolarHBondContact O-N 3.45Å; F17-L20 PolarHBondContact O-N 2.82Å; F17-Q21 VanDerWaalsContact O-CG 3.23Å; F17-Q21 WeakPolarHBondContact O-CG 3.5Å; F17-Q21 PolarHBondContact O-N 3.34Å
18F93.8Very high92.9Very high86 Ų8679.1 Ų79.138%0.37740%0.397SS..Hα-helixtrans-59.4-44.7177-179.9-132000111.9N14 I16 L20 Q21 I22 I72 N76N14-F18 WeakPolarHBondContact O-CB 3.43Å; N14-F18 PolarHBondContact O-N 2.98Å; I16-F18 PolarHBondContact O-N 3.19Å; F18-L20 PolarHBondContact O-N 2.97Å; F18-Q21 WeakPolarHBondContact O-CB 3.48Å; F18-Q21 PolarHBondContact O-N 2.86Å; F18-I22 HydrophobicContact CD1-CD1 4.12Å; F18-I22 HydrophobicContact CD2-CD1 4.09Å; F18-I22 HydrophobicContact CD2-CG1 4.36Å; F18-I22 HydrophobicContact CE1-CD1 3.76Å; F18-I22 HydrophobicContact CE2-CD1 3.76Å; F18-I22 HydrophobicContact CE2-CG1 4.16Å; F18-I22 HydrophobicContact CG-CD1 4.3Å; F18-I22 HydrophobicContact CZ-CD1 3.6Å; F18-I22 HydrophobicContact CZ-CG1 4.46Å; F18-I22 WeakPolarHBondContact O-CG1 3.2Å; F18-I22 PolarHBondContact O-N 3.4Å; F18-I72 HydrophobicContact CD2-CG2 3.76Å; F18-I72 HydrophobicContact CE2-CG2 3.47Å; F18-I72 VanDerWaalsContact CE2-CG2 3.47Å; F18-N76 WeakPolarHBondContact CD2-ND2 3.25Å
19S95.3Very high93.5Very high50 Ų5076.8 Ų76.835%0.3539%0.385SS..Hα-helixtrans-61-44.8176.7-58.50000111.7T15 I16 F17 Q21 I22 I23T15-S19 WeakPolarHBondContact O-CB 3.33Å; T15-S19 PolarHBondContact O-N 2.9Å; T15-S19 PolarHBondContact O-OG 3.08Å; I16-S19 PolarHBondContact O-N 3.47Å; F17-S19 VanDerWaalsContact C-N 3.33Å; F17-S19 PolarHBondContact O-N 3.45Å; S19-Q21 VanDerWaalsContact C-N 3.32Å; S19-Q21 PolarHBondContact O-N 3.45Å; S19-I22 PolarHBondContact O-N 3.49Å; S19-I23 WeakPolarHBondContact O-CB 3.27Å; S19-I23 WeakPolarHBondContact O-CD1 3.24Å; S19-I23 WeakPolarHBondContact O-CG1 3.3Å; S19-I23 PolarHBondContact O-N 3Å
20L95.2Very high94Very high91 Ų9173.5 Ų73.548%0.47638%0.378SS..Hα-helixtrans-62.8-37.6177-71.3173.5000112.5I16 F17 F18 S24I16-L20 HydrophobicContact CG2-CD1 3.99Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 3.38Å; F17-L20 PolarHBondContact O-N 2.82Å; F18-L20 PolarHBondContact O-N 2.97Å; L20-S24 VanDerWaalsContact O-CB 3.31Å; L20-S24 WeakPolarHBondContact O-CB 3.28Å; L20-S24 PolarHBondContact O-N 2.74Å; L20-S24 PolarHBondContact O-OG 3.06Å
21Q95.3Very high94.5Very high16 Ų1667.3 Ų67.38%0.07536%0.359CS..Hα-helixtrans-65.7-44.9176.7-70.1170.24.300111.8F17 F18 S19 S24 A25 I72 N76 W460F17-Q21 VanDerWaalsContact O-CG 3.23Å; F17-Q21 WeakPolarHBondContact O-CG 3.5Å; F17-Q21 PolarHBondContact O-N 3.34Å; F18-Q21 WeakPolarHBondContact O-CB 3.48Å; F18-Q21 PolarHBondContact O-N 2.86Å; S19-Q21 VanDerWaalsContact C-N 3.32Å; S19-Q21 PolarHBondContact O-N 3.45Å; Q21-S24 PolarHBondContact O-N 2.81Å; Q21-A25 PolarHBondContact O-N 3.35Å; Q21-I72 HydrophobicContact CB-CD1 4.17Å; Q21-I72 HydrophobicContact CB-CG1 4Å; Q21-N76 PolarHBondContact OE1-ND2 2.93Å; Q21-W460 HydrophobicContact CB-CH2 3.6Å; Q21-W460 HydrophobicContact CB-CZ2 3.74Å; Q21-W460 HydrophobicContact CB-CZ3 4.32Å; Q21-W460 VanDerWaalsContact CD-CZ2 3.42Å; Q21-W460 HydrophobicContact CG-CD2 4.33Å; Q21-W460 HydrophobicContact CG-CH2 3.64Å; Q21-W460 HydrophobicContact CG-CZ2 3.33Å; Q21-W460 HydrophobicContact CG-CZ3 4.25Å
22I96.3Very high94.9Very high67 Ų6763.1 Ų63.134%0.34434%0.336SS..Hα-helixtrans-61.6-48.7175.7-67.7169.1000110.3F18 S19 S24 A25 I26F18-I22 HydrophobicContact CD1-CD1 4.12Å; F18-I22 HydrophobicContact CD2-CD1 4.09Å; F18-I22 HydrophobicContact CD2-CG1 4.36Å; F18-I22 HydrophobicContact CE1-CD1 3.76Å; F18-I22 HydrophobicContact CE2-CD1 3.76Å; F18-I22 HydrophobicContact CE2-CG1 4.16Å; F18-I22 HydrophobicContact CG-CD1 4.3Å; F18-I22 HydrophobicContact CZ-CD1 3.6Å; F18-I22 HydrophobicContact CZ-CG1 4.46Å; F18-I22 WeakPolarHBondContact O-CG1 3.2Å; F18-I22 PolarHBondContact O-N 3.4Å; S19-I22 PolarHBondContact O-N 3.49Å; I22-S24 VanDerWaalsContact C-N 3.3Å; I22-S24 PolarHBondContact O-N 3.43Å; I22-A25 PolarHBondContact O-N 2.84Å; I22-I26 HydrophobicContact CG2-CD1 3.87Å; I22-I26 WeakPolarHBondContact O-CG1 3.3Å; I22-I26 PolarHBondContact O-N 3.12Å
23I96.5Very high95.2Very high82 Ų8262.2 Ų62.242%0.42133%0.329SS..Hα-helixtrans-57.9-45.7178.2-70.6166.2000110.2S19 A25 I26 F27S19-I23 WeakPolarHBondContact O-CB 3.27Å; S19-I23 WeakPolarHBondContact O-CD1 3.24Å; S19-I23 WeakPolarHBondContact O-CG1 3.3Å; S19-I23 PolarHBondContact O-N 3Å; I23-A25 PolarHBondContact O-N 3.49Å; I23-I26 PolarHBondContact O-N 2.81Å; I23-F27 HydrophobicContact CG2-CD2 3.58Å; I23-F27 HydrophobicContact CG2-CE2 3.51Å; I23-F27 VanDerWaalsContact O-CD2 3.25Å; I23-F27 WeakPolarHBondContact O-CD2 3.42Å; I23-F27 PolarHBondContact O-N 3.48Å
24S96.2Very high95.4Very high23 Ų2359.6 Ų59.616%0.16132%0.315CS..Hα-helixtrans-60.2-44.5177.5-59.50000111.7L20 Q21 I22 I26 F27 I28L20-S24 VanDerWaalsContact O-CB 3.31Å; L20-S24 WeakPolarHBondContact O-CB 3.28Å; L20-S24 PolarHBondContact O-N 2.74Å; L20-S24 PolarHBondContact O-OG 3.06Å; Q21-S24 PolarHBondContact O-N 2.81Å; I22-S24 VanDerWaalsContact C-N 3.3Å; I22-S24 PolarHBondContact O-N 3.43Å; S24-I26 VanDerWaalsContact C-N 3.34Å; S24-I26 PolarHBondContact O-N 2.79Å; S24-F27 PolarHBondContact O-N 2.94Å; S24-I28 WeakPolarHBondContact O-CG1 3.43Å; S24-I28 PolarHBondContact O-N 2.97Å
25A96.9Very high95.7Very high16 Ų1655.7 Ų55.713%0.13229%0.294CS..Hα-helixtrans-61.1-41.2177.100000112.3Q21 I22 I23 I28 F29 L68 I72Q21-A25 PolarHBondContact O-N 3.35Å; I22-A25 PolarHBondContact O-N 2.84Å; I23-A25 PolarHBondContact O-N 3.49Å; A25-I28 PolarHBondContact O-N 3.41Å; A25-F29 WeakPolarHBondContact O-CB 3.37Å; A25-F29 PolarHBondContact O-N 3.01Å; A25-L68 HydrophobicContact CB-CB 4.17Å; A25-L68 HydrophobicContact CB-CD1 3.68Å; A25-I72 HydrophobicContact CB-CD1 4.15Å
26I97.2Very high95.9Very high96 Ų9653.1 Ų53.149%0.49228%0.277SS..Hα-helixtrans-63.6-44.8175.1-65.7166.9000110.8I22 I23 S24 I28 F29 C30I22-I26 HydrophobicContact CG2-CD1 3.87Å; I22-I26 WeakPolarHBondContact O-CG1 3.3Å; I22-I26 PolarHBondContact O-N 3.12Å; I23-I26 PolarHBondContact O-N 2.81Å; S24-I26 VanDerWaalsContact C-N 3.34Å; S24-I26 PolarHBondContact O-N 2.79Å; I26-I28 VanDerWaalsContact C-N 3.35Å; I26-I28 PolarHBondContact O-N 3.21Å; I26-F29 PolarHBondContact O-N 3.34Å; I26-C30 WeakPolarHBondContact O-CB 3.21Å; I26-C30 PolarHBondContact O-N 2.84Å; I26-C30 PolarHBondContact O-SG 2.82Å
27F96.6Very high95.9Very high110 Ų11052.5 Ų52.548%0.48227%0.274SS..Hα-helixtrans-62.1-41.1176.7-88.3-72.2000112.4I23 S24 G31 M467 F471I23-F27 HydrophobicContact CG2-CD2 3.58Å; I23-F27 HydrophobicContact CG2-CE2 3.51Å; I23-F27 VanDerWaalsContact O-CD2 3.25Å; I23-F27 WeakPolarHBondContact O-CD2 3.42Å; I23-F27 PolarHBondContact O-N 3.48Å; S24-F27 PolarHBondContact O-N 2.94Å; F27-G31 WeakPolarHBondContact O-CA 3.29Å; F27-G31 PolarHBondContact O-N 2.9Å; F27-M467 HydrophobicContact CB-CG 4.25Å; F27-M467 HydrophobicContact CB-SD 4.26Å; F27-F471 HydrophobicContact CD1-CZ 4.34Å
28I97.7Very high95.9Very high1 Ų147.5 Ų47.51%0.00525%0.252CS..Hα-helixtrans-62.7-47.9176.3-64.5163.6000109.9S24 A25 I26 N32 A64 L68 M467S24-I28 WeakPolarHBondContact O-CG1 3.43Å; S24-I28 PolarHBondContact O-N 2.97Å; A25-I28 PolarHBondContact O-N 3.41Å; I26-I28 VanDerWaalsContact C-N 3.35Å; I26-I28 PolarHBondContact O-N 3.21Å; I28-N32 WeakPolarHBondContact O-CB 3.36Å; I28-N32 PolarHBondContact O-N 3.39Å; I28-N32 VanDerWaalsContact O-N 3.12Å; I28-N32 PolarHBondContact O-ND2 3.5Å; I28-A64 HydrophobicContact CB-CB 4.14Å; I28-A64 HydrophobicContact CG2-CB 3.79Å; I28-L68 HydrophobicContact CB-CD1 4.49Å; I28-L68 HydrophobicContact CD1-CD1 3.55Å; I28-M467 HydrophobicContact CD1-CB 4.18Å; I28-M467 HydrophobicContact CG1-CB 3.53Å; I28-M467 HydrophobicContact CG1-CG 4.05Å
29F98.2Very high95.7Very high82 Ų8243.9 Ų43.936%0.3624%0.237SC..Hα-helixtrans-60.7-58.4178.4178.8-93.4000111.8A25 I26 G31 N32 L33 L61 A64 V65A25-F29 WeakPolarHBondContact O-CB 3.37Å; A25-F29 PolarHBondContact O-N 3.01Å; I26-F29 PolarHBondContact O-N 3.34Å; F29-G31 PolarHBondContact O-N 3.45Å; F29-N32 PolarHBondContact O-N 3.2Å; F29-L33 HydrophobicContact CE1-CD2 3.97Å; F29-L33 HydrophobicContact CZ-CD2 4.28Å; F29-L33 WeakPolarHBondContact O-CB 3.37Å; F29-L33 PolarHBondContact O-N 3.3Å; F29-L61 HydrophobicContact CD2-CG 4.3Å; F29-L61 HydrophobicContact CE2-CG 4.46Å; F29-A64 HydrophobicContact CB-CB 4.01Å; F29-V65 HydrophobicContact CD2-CG2 3.82Å; F29-V65 HydrophobicContact CE2-CG2 3.83Å
30C97.1Very high95.4Very high64 Ų6445.1 Ų45.143%0.43224%0.242SC..Hα-helixtrans-63.5-41.8-176.3-70.40000112I26 L34I26-C30 WeakPolarHBondContact O-CB 3.21Å; I26-C30 PolarHBondContact O-N 2.84Å; I26-C30 PolarHBondContact O-SG 2.82Å; C30-L34 VanDerWaalsContact O-CB 3.28Å; C30-L34 WeakPolarHBondContact O-CB 3.33Å; C30-L34 PolarHBondContact O-N 3.44Å
31G96.6Very high95Very high14 Ų1444.7 Ų44.714%0.14424%0.244CC..Hα-helixtrans-65.1-46.5-179.100000112.4F27 F29 L34 V35 P470F27-G31 WeakPolarHBondContact O-CA 3.29Å; F27-G31 PolarHBondContact O-N 2.9Å; F29-G31 PolarHBondContact O-N 3.45Å; G31-L34 WeakPolarHBondContact O-CB 3.31Å; G31-L34 PolarHBondContact O-N 3.25Å; G31-V35 WeakPolarHBondContact O-CG2 3.32Å; G31-V35 PolarHBondContact O-N 3.29Å; G31-P470 WeakPolarHBondContact O-CG 3.37Å
32N97.4Very high94.4Very high0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-73.1-33.7178.7-72.1-67.9000112.1I28 F29 L34 V35 I36 A57 D60 L61 S466I28-N32 WeakPolarHBondContact O-CB 3.36Å; I28-N32 PolarHBondContact O-N 3.39Å; I28-N32 VanDerWaalsContact O-N 3.12Å; I28-N32 PolarHBondContact O-ND2 3.5Å; F29-N32 PolarHBondContact O-N 3.2Å; N32-L34 VanDerWaalsContact C-N 3.33Å; N32-L34 PolarHBondContact O-N 2.76Å; N32-V35 WeakPolarHBondContact O-CB 3.4Å; N32-V35 PolarHBondContact O-N 3.32Å; N32-I36 WeakPolarHBondContact O-CG1 3.46Å; N32-I36 PolarHBondContact O-N 3.37Å; N32-A57 HydrophobicContact CB-CB 4.4Å; N32-D60 HydrophobicContact CB-CB 4.4Å; N32-L61 HydrophobicContact CB-CB 4.08Å; N32-S466 PolarHBondContact ND2-O 3.36Å
33L97Very high93.2Very high62 Ų6250 Ų5033%0.32527%0.266SS..Hα-helixtrans-60.2-44.4169.7-17860.5000111F29 V35 I36 L37 L61F29-L33 HydrophobicContact CE1-CD2 3.97Å; F29-L33 HydrophobicContact CZ-CD2 4.28Å; F29-L33 WeakPolarHBondContact O-CB 3.37Å; F29-L33 PolarHBondContact O-N 3.3Å; L33-V35 VanDerWaalsContact C-N 3.33Å; L33-V35 PolarHBondContact O-N 3Å; L33-I36 PolarHBondContact O-N 3.08Å; L33-L37 HydrophobicContact CD1-CD1 4.3Å; L33-L37 HydrophobicContact CD1-CG 4.22Å; L33-L37 HydrophobicContact CG-CD1 3.96Å; L33-L37 HydrophobicContact CG-CG 4.3Å; L33-L37 WeakPolarHBondContact O-CB 3.45Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.34Å; L33-L37 PolarHBondContact O-N 2.72Å; L33-L61 HydrophobicContact CB-CD1 3.86Å; L33-L61 HydrophobicContact CD1-CD1 4.2Å
34L95Very high91.7Very high34 Ų3450.6 Ų50.618%0.17827%0.268CS..Hα-helixtrans-61.2-39.3176.6-170.871.3000112C30 G31 N32 L37 A38 F484 M487 L488C30-L34 VanDerWaalsContact O-CB 3.28Å; C30-L34 WeakPolarHBondContact O-CB 3.33Å; C30-L34 PolarHBondContact O-N 3.44Å; G31-L34 WeakPolarHBondContact O-CB 3.31Å; G31-L34 PolarHBondContact O-N 3.25Å; N32-L34 VanDerWaalsContact C-N 3.33Å; N32-L34 PolarHBondContact O-N 2.76Å; L34-L37 PolarHBondContact O-N 3.5Å; L34-A38 VanDerWaalsContact O-CB 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 2.95Å; L34-F484 HydrophobicContact CD1-CD1 4.49Å; L34-F484 HydrophobicContact CD2-CB 4.09Å; L34-F484 HydrophobicContact CD2-CD1 3.65Å; L34-F484 HydrophobicContact CD2-CD2 4.07Å; L34-F484 HydrophobicContact CD2-CE1 4Å; L34-F484 HydrophobicContact CD2-CE2 4.39Å; L34-F484 HydrophobicContact CD2-CG 3.69Å; L34-F484 HydrophobicContact CD2-CZ 4.35Å; L34-F484 HydrophobicContact CG-CD1 3.67Å; L34-F484 HydrophobicContact CG-CE1 3.8Å; L34-F484 HydrophobicContact CG-CG 4.24Å; L34-F484 HydrophobicContact CG-CZ 4.47Å; L34-M487 HydrophobicContact CD1-CB 4.26Å; L34-M487 HydrophobicContact CD1-CE 3.42Å; L34-M487 VanDerWaalsContact CD1-CE 3.42Å; L34-M487 HydrophobicContact CD1-SD 4.3Å; L34-M487 HydrophobicContact CG-CE 3.85Å; L34-L488 HydrophobicContact CD1-CD2 4.41Å; L34-L488 HydrophobicContact CD2-CD1 4.22Å
35V94.7Very high90.1Very high0 Ų049.6 Ų49.60%026%0.261CS..Hα-helixtrans-60.2-47.6173.8173.10000110.8G31 N32 L33 A38 V39 I53 A57 P470 Y473 F484G31-V35 WeakPolarHBondContact O-CG2 3.32Å; G31-V35 PolarHBondContact O-N 3.29Å; N32-V35 WeakPolarHBondContact O-CB 3.4Å; N32-V35 PolarHBondContact O-N 3.32Å; L33-V35 VanDerWaalsContact C-N 3.33Å; L33-V35 PolarHBondContact O-N 3Å; V35-A38 PolarHBondContact O-N 3.39Å; V35-V39 WeakPolarHBondContact O-CG2 3.48Å; V35-V39 PolarHBondContact O-N 3.41Å; V35-I53 HydrophobicContact CG1-CG2 3.79Å; V35-A57 HydrophobicContact CB-CB 4.04Å; V35-A57 HydrophobicContact CG1-CB 3.74Å; V35-P470 HydrophobicContact CG2-CB 4.14Å; V35-P470 HydrophobicContact CG2-CG 4.08Å; V35-Y473 HydrophobicContact CG1-CD2 4.45Å; V35-Y473 HydrophobicContact CG1-CE2 4.48Å; V35-Y473 HydrophobicContact CG2-CD2 3.94Å; V35-Y473 HydrophobicContact CG2-CE2 4.47Å; V35-F484 HydrophobicContact CG2-CE1 4.49Å; V35-F484 HydrophobicContact CG2-CZ 3.81Å
36I95.2Very high88.7Confident30 Ų3056.3 Ų56.315%0.15428%0.283CS..Hα-helixtrans-61.7-50.6178.7-64.9166.2000110N32 L33 A38 V39 T40 V54 A57 L61N32-I36 WeakPolarHBondContact O-CG1 3.46Å; N32-I36 PolarHBondContact O-N 3.37Å; L33-I36 PolarHBondContact O-N 3.08Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.26Å; I36-V39 PolarHBondContact O-N 3.23Å; I36-T40 HydrophobicContact CG2-CG2 4.22Å; I36-T40 WeakPolarHBondContact O-CG2 3.47Å; I36-T40 PolarHBondContact O-N 3.26Å; I36-T40 PolarHBondContact O-OG1 2.96Å; I36-T40 VanDerWaalsContact O-OG1 3.12Å; I36-V54 HydrophobicContact CG1-CG1 4.45Å; I36-A57 HydrophobicContact CD1-CB 4.37Å; I36-A57 HydrophobicContact CG1-CB 3.88Å; I36-L61 HydrophobicContact CD1-CD1 4.06Å
37L93.5Very high87.9Confident74 Ų7456.2 Ų56.239%0.38728%0.276SS..Hα-helixtrans-60.5-40.5178.9-69.1176.8000112.2L33 L34 V39 T40 T41 M487L33-L37 HydrophobicContact CD1-CD1 4.3Å; L33-L37 HydrophobicContact CD1-CG 4.22Å; L33-L37 HydrophobicContact CG-CD1 3.96Å; L33-L37 HydrophobicContact CG-CG 4.3Å; L33-L37 WeakPolarHBondContact O-CB 3.45Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.34Å; L33-L37 PolarHBondContact O-N 2.72Å; L34-L37 PolarHBondContact O-N 3.5Å; L37-V39 VanDerWaalsContact C-N 3.27Å; L37-V39 PolarHBondContact O-N 3.01Å; L37-T40 WeakPolarHBondContact CA-OG1 3.32Å; L37-T40 PolarHBondContact O-N 2.99Å; L37-T40 PolarHBondContact O-OG1 3.49Å; L37-T41 VanDerWaalsContact O-CB 3.28Å; L37-T41 WeakPolarHBondContact O-CB 3.32Å; L37-T41 VanDerWaalsContact O-CG2 3.22Å; L37-T41 WeakPolarHBondContact O-CG2 3.48Å; L37-T41 PolarHBondContact O-N 3.33Å; L37-T41 PolarHBondContact O-OG1 3.35Å; L37-M487 HydrophobicContact CB-SD 4.21Å
38A91.6Very high87.5Confident0 Ų051.7 Ų51.70%026%0.257CS..Hα-helixtrans-57.3-43177.100000111.8L34 V35 I36 T42 A483 F484 M487L34-A38 VanDerWaalsContact O-CB 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 2.95Å; V35-A38 PolarHBondContact O-N 3.39Å; I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 3.26Å; A38-T42 VanDerWaalsContact O-CB 3.26Å; A38-T42 WeakPolarHBondContact O-CB 3.48Å; A38-T42 PolarHBondContact O-N 2.88Å; A38-A483 HydrophobicContact CB-CB 4.22Å; A38-F484 HydrophobicContact CB-CD1 4.07Å; A38-F484 HydrophobicContact CB-CE1 3.73Å; A38-M487 HydrophobicContact CB-CE 3.43Å; A38-M487 VanDerWaalsContact CB-CE 3.43Å; A38-M487 HydrophobicContact CB-SD 4.34Å
39V90.6Very high87Confident9 Ų953.4 Ų53.46%0.05527%0.267CS..Hα-helixtrans-77.6-39.1-177177.70000111.5V35 I36 L37 F45 D50 V54 Y480V35-V39 WeakPolarHBondContact O-CG2 3.48Å; V35-V39 PolarHBondContact O-N 3.41Å; I36-V39 PolarHBondContact O-N 3.23Å; L37-V39 VanDerWaalsContact C-N 3.27Å; L37-V39 PolarHBondContact O-N 3.01Å; V39-F45 HydrophobicContact CB-CB 4.34Å; V39-F45 HydrophobicContact CG1-CB 4.09Å; V39-F45 HydrophobicContact CG2-CB 4.32Å; V39-D50 HydrophobicContact CG1-CB 3.94Å; V39-D50 HydrophobicContact CG2-CB 4.47Å; V39-V54 HydrophobicContact CB-CG2 3.53Å; V39-V54 HydrophobicContact CG1-CG2 3.49Å; V39-V54 VanDerWaalsContact CG1-CG2 3.49Å; V39-V54 HydrophobicContact CG2-CG2 3.88Å; V39-Y480 HydrophobicContact CG2-CE1 3.81Å
40T88.4Confident86.6Confident76 Ų7649.7 Ų49.747%0.46625%0.251SS..Hα-helixtrans-74.8-39.1-177.257.90000112.8I36 L37I36-T40 HydrophobicContact CG2-CG2 4.22Å; I36-T40 WeakPolarHBondContact O-CG2 3.47Å; I36-T40 PolarHBondContact O-N 3.26Å; I36-T40 PolarHBondContact O-OG1 2.96Å; I36-T40 VanDerWaalsContact O-OG1 3.12Å; L37-T40 WeakPolarHBondContact CA-OG1 3.32Å; L37-T40 PolarHBondContact O-N 2.99Å; L37-T40 PolarHBondContact O-OG1 3.49Å
41T86.9Confident86.4Confident83 Ų8348.9 Ų48.951%0.50924%0.242SC..Hα-helixtrans-80.2-37-176.761.70000112.7L37 K43L37-T41 VanDerWaalsContact O-CB 3.28Å; L37-T41 WeakPolarHBondContact O-CB 3.32Å; L37-T41 VanDerWaalsContact O-CG2 3.22Å; L37-T41 WeakPolarHBondContact O-CG2 3.48Å; L37-T41 PolarHBondContact O-N 3.33Å; L37-T41 PolarHBondContact O-OG1 3.35Å; T41-K43 PolarHBondContact O-N 3.33Å
42T82.2Confident86.3Confident21 Ų2148.4 Ų48.413%0.12924%0.236CC..  trans-92.6111.1-173.3-67.80000110.8A38 M44 F45A38-T42 VanDerWaalsContact O-CB 3.26Å; A38-T42 WeakPolarHBondContact O-CB 3.48Å; A38-T42 PolarHBondContact O-N 2.88Å; T42-M44 HydrophobicContact CG2-CB 3.75Å; T42-M44 PolarHBondContact O-N 3.27Å; T42-F45 HydrophobicContact CG2-CD2 3.44Å; T42-F45 VanDerWaalsContact CG2-CD2 3.44Å; T42-F45 HydrophobicContact CG2-CE2 3.62Å; T42-F45 PolarHBondContact O-N 3.27Å
43K70.7Confident86.1Confident172 Ų17249.2 Ų49.275%0.74824%0.24SC*.G310 helixtrans-50.3-29.4177.4-67.4-175.7-179.5-179.90114T41 F45 R46T41-K43 PolarHBondContact O-N 3.33Å; K43-F45 PolarHBondContact O-N 3.45Å; K43-R46 PolarHBondContact O-N 3.12Å
44M66.5Low86.1Confident96 Ų9647.8 Ų47.847%0.47323%0.234SC..G310 helixtrans-64.1-22.1178.2-170.8-177.859.900114T42 K479T42-M44 HydrophobicContact CG2-CB 3.75Å; T42-M44 PolarHBondContact O-N 3.27Å; M44-K479 HydrophobicContact CE-CB 4.26Å; M44-K479 HydrophobicContact CE-CD 4.49Å
45F62.5Low86.2Confident1 Ų146.5 Ų46.50%0.00423%0.228CC..G310 helixtrans-100.717.6-179.1-63.1-77.6000114V39 T42 K43 R47 D50 K479 Y480 A483V39-F45 HydrophobicContact CB-CB 4.34Å; V39-F45 HydrophobicContact CG1-CB 4.09Å; V39-F45 HydrophobicContact CG2-CB 4.32Å; T42-F45 HydrophobicContact CG2-CD2 3.44Å; T42-F45 VanDerWaalsContact CG2-CD2 3.44Å; T42-F45 HydrophobicContact CG2-CE2 3.62Å; T42-F45 PolarHBondContact O-N 3.27Å; K43-F45 PolarHBondContact O-N 3.45Å; F45-R47 PolarHBondContact O-N 3.07Å; F45-D50 VanDerWaalsContact C-OD2 3.26Å; F45-D50 VanDerWaalsContact CA-OD2 3.24Å; F45-D50 WeakPolarHBondContact CA-OD2 3.46Å; F45-D50 HydrophobicContact CB-CB 4.37Å; F45-D50 WeakPolarHBondContact O-CB 3.35Å; F45-K479 HydrophobicContact CE1-CB 3.7Å; F45-K479 HydrophobicContact CZ-CB 3.74Å; F45-K479 WeakPolarHBondContact CZ-O 3.47Å; F45-Y480 HydrophobicContact CD1-CE1 4.44Å; F45-Y480 HydrophobicContact CD1-CE2 4.37Å; F45-Y480 HydrophobicContact CE1-CD1 4.45Å; F45-Y480 HydrophobicContact CE1-CD2 4.15Å; F45-Y480 HydrophobicContact CE1-CE1 4.36Å; F45-Y480 HydrophobicContact CE1-CE2 4.06Å; F45-Y480 HydrophobicContact CE1-CG 4.35Å; F45-A483 HydrophobicContact CE2-CB 3.66Å; F45-A483 HydrophobicContact CZ-CB 4.01Å
46R66.2Low86.3Confident158 Ų15846.5 Ų46.560%0.59623%0.228SC*.  trans-79.533.5173.7-63.8-176.4178-170.5-2.6112.3K43 H129K43-R46 PolarHBondContact O-N 3.12Å; R46-H129 PolarHBondContact O-CE1 3.01Å; R46-H129 PolarHBondContact O-NE2 2.93Å
47R82.2Confident86.4Confident93 Ų9345.1 Ų45.135%0.35122%0.221SC..SBendtrans-87.8151.3174.2-62.1169.2-67.7177.8-0.4109.1F45 N49 D50F45-R47 PolarHBondContact O-N 3.07Å; R47-N49 PolarHBondContact O-N 3.41Å; R47-D50 WeakPolarHBondContact CB-OD2 3.44Å; R47-D50 IonicContact CZ-OD2 3.03Å; R47-D50 PolarHBondContact N-OD2 2.91Å; R47-D50 IonicContact NE-OD2 3.6Å; R47-D50 PolarHBondContact NE-OD2 3.46Å; R47-D50 IonicContact NH2-OD1 3.15Å; R47-D50 PolarHBondContact NH2-OD1 3.39Å; R47-D50 IonicContact NH2-OD2 3.91Å; R47-D50 PolarHBondContact NH2-OD2 3.03Å; R47-D50 WeakPolarHBondContact O-CB 3.42Å; R47-D50 PolarHBondContact O-N 3.38Å
48V86.3Confident86.6Confident15 Ų1545 Ų459%0.09122%0.22CC..Hα-helixtrans-55.6-37.6-178.3-175.10000112.4D50 L51 H127 T128 A132V48-D50 VanDerWaalsContact C-N 3.26Å; V48-D50 PolarHBondContact O-N 3.34Å; V48-L51 WeakPolarHBondContact O-CB 3.32Å; V48-L51 PolarHBondContact O-N 3Å; V48-H127 WeakPolarHBondContact CB-CE1 3.26Å; V48-H127 WeakPolarHBondContact CG1-CE1 3.36Å; V48-H127 VanDerWaalsContact CG1-NE2 3.34Å; V48-H127 WeakPolarHBondContact CG1-NE2 3.41Å; V48-T128 WeakPolarHBondContact CG1-O 3.43Å; V48-A132 HydrophobicContact CG1-CB 3.36Å
49N87.5Confident86.9Confident37 Ų3745 Ų4520%0.19822%0.22CC..Hα-helixtrans-62.7-34.2178.1-50.1-10.5000112.9R47 L51 Y52 R113 Y123 H127R47-N49 PolarHBondContact O-N 3.41Å; N49-L51 PolarHBondContact O-N 3.5Å; N49-Y52 PolarHBondContact O-N 2.87Å; N49-R113 PolarHBondContact ND2-NH1 3.3Å; N49-R113 PolarHBondContact ND2-NH2 3.32Å; N49-R113 PolarHBondContact OD1-NH2 2.76Å; N49-Y123 PolarHBondContact OD1-OH 3.4Å; N49-H127 PolarHBondContact OD1-CE1 2.93Å
50D89.8Confident87.3Confident5 Ų544.6 Ų44.63%0.02722%0.217CC..Hα-helixtrans-71-20.7-175.1-55.8-36.2000109.6V39 F45 R47 V48 I53 V54 Y480V39-D50 HydrophobicContact CG1-CB 3.94Å; V39-D50 HydrophobicContact CG2-CB 4.47Å; F45-D50 VanDerWaalsContact C-OD2 3.26Å; F45-D50 VanDerWaalsContact CA-OD2 3.24Å; F45-D50 WeakPolarHBondContact CA-OD2 3.46Å; F45-D50 HydrophobicContact CB-CB 4.37Å; F45-D50 WeakPolarHBondContact O-CB 3.35Å; R47-D50 WeakPolarHBondContact CB-OD2 3.44Å; R47-D50 IonicContact CZ-OD2 3.03Å; R47-D50 PolarHBondContact N-OD2 2.91Å; R47-D50 IonicContact NE-OD2 3.6Å; R47-D50 PolarHBondContact NE-OD2 3.46Å; R47-D50 IonicContact NH2-OD1 3.15Å; R47-D50 PolarHBondContact NH2-OD1 3.39Å; R47-D50 IonicContact NH2-OD2 3.91Å; R47-D50 PolarHBondContact NH2-OD2 3.03Å; R47-D50 WeakPolarHBondContact O-CB 3.42Å; R47-D50 PolarHBondContact O-N 3.38Å; V48-D50 VanDerWaalsContact C-N 3.26Å; V48-D50 PolarHBondContact O-N 3.34Å; D50-I53 PolarHBondContact O-N 2.91Å; D50-V54 WeakPolarHBondContact O-CG2 3.32Å; D50-V54 PolarHBondContact O-N 3.46Å; D50-V54 VanDerWaalsContact O-N 3.11Å; D50-Y480 PolarHBondContact OD1-OH 3.49Å
51L93.2Very high87.8Confident47 Ų4742 Ų4225%0.24620%0.201CC..Hα-helixtrans-66-40.2172.7-65.2178.1000113.3V48 N49 I53 V54 S55 A132 L133 I136V48-L51 WeakPolarHBondContact O-CB 3.32Å; V48-L51 PolarHBondContact O-N 3Å; N49-L51 PolarHBondContact O-N 3.5Å; L51-I53 VanDerWaalsContact C-N 3.28Å; L51-I53 PolarHBondContact O-N 3.36Å; L51-V54 PolarHBondContact O-N 3.36Å; L51-S55 PolarHBondContact O-N 2.97Å; L51-A132 HydrophobicContact CD1-CB 4.2Å; L51-L133 HydrophobicContact CD1-CD2 4.43Å; L51-L133 HydrophobicContact CD1-CG 4.46Å; L51-I136 HydrophobicContact CB-CD1 3.96Å
52Y94.8Very high88.3Confident3 Ų340.2 Ų40.21%0.01219%0.188CC..Hα-helixtrans-66.6-35.4178-57.9-66.7000111.3N49 S55 L56 C108 I109 D112 H127 A132 L135 I136N49-Y52 PolarHBondContact O-N 2.87Å; Y52-S55 PolarHBondContact O-N 2.91Å; Y52-L56 PolarHBondContact O-N 3.03Å; Y52-C108 WeakPolarHBondContact CE1-SG 3.38Å; Y52-I109 HydrophobicContact CG-CG1 4.34Å; Y52-D112 HydrophobicContact CE2-CB 4.08Å; Y52-H127 AromaticContact CE2-NE2 3.8Å; Y52-A132 HydrophobicContact CE1-CB 3.98Å; Y52-A132 HydrophobicContact CE2-CB 4.21Å; Y52-A132 WeakPolarHBondContact OH-CA 3.35Å; Y52-A132 WeakPolarHBondContact OH-CB 3.43Å; Y52-L135 HydrophobicContact CE1-CB 4.25Å; Y52-L135 HydrophobicContact CE1-CD1 4.48Å; Y52-L135 WeakPolarHBondContact OH-CD1 3.41Å; Y52-I136 HydrophobicContact CD1-CD1 3.99Å; Y52-I136 HydrophobicContact CD1-CG1 3.76Å; Y52-I136 HydrophobicContact CE1-CD1 4.4Å; Y52-I136 HydrophobicContact CE1-CG1 4.08Å
53I94.3Very high89Confident18 Ų1839.5 Ų39.59%0.09218%0.183CC..Hα-helixtrans-65-41.5174.9-65.7172000110.5V35 D50 L51 L56 A57 Y473 Y480V35-I53 HydrophobicContact CG1-CG2 3.79Å; D50-I53 PolarHBondContact O-N 2.91Å; L51-I53 VanDerWaalsContact C-N 3.28Å; L51-I53 PolarHBondContact O-N 3.36Å; I53-L56 PolarHBondContact O-N 3.15Å; I53-A57 WeakPolarHBondContact O-CB 3.45Å; I53-A57 PolarHBondContact O-N 3.49Å; I53-Y473 HydrophobicContact CD1-CE1 4.27Å; I53-Y473 HydrophobicContact CG1-CE1 4.45Å; I53-Y473 HydrophobicContact CG2-CE1 4.23Å; I53-Y473 HydrophobicContact CG2-CE2 3.95Å; I53-Y480 HydrophobicContact CD1-CE2 4.32Å; I53-Y480 WeakPolarHBondContact CD1-OH 3.39Å
54V95.4Very high90.3Very high32 Ų3231.8 Ų31.819%0.19415%0.151CC..Hα-helixtrans-63.1-42.2174.5170.80000111.6I36 V39 D50 L51 L56 A57 L58I36-V54 HydrophobicContact CG1-CG1 4.45Å; V39-V54 HydrophobicContact CB-CG2 3.53Å; V39-V54 HydrophobicContact CG1-CG2 3.49Å; V39-V54 VanDerWaalsContact CG1-CG2 3.49Å; V39-V54 HydrophobicContact CG2-CG2 3.88Å; D50-V54 WeakPolarHBondContact O-CG2 3.32Å; D50-V54 PolarHBondContact O-N 3.46Å; D50-V54 VanDerWaalsContact O-N 3.11Å; L51-V54 PolarHBondContact O-N 3.36Å; V54-L56 PolarHBondContact O-N 2.96Å; V54-A57 PolarHBondContact O-N 3.49Å; V54-L58 WeakPolarHBondContact O-CB 3.45Å; V54-L58 PolarHBondContact O-N 3.38Å
55S97.4Very high91.8Very high7 Ų730.5 Ų30.55%0.04915%0.149CC..Hα-helixtrans-61.4-42.4176.9-178.20000112.1L51 Y52 L58 A59 N105 I136 W140L51-S55 PolarHBondContact O-N 2.97Å; Y52-S55 PolarHBondContact O-N 2.91Å; S55-L58 PolarHBondContact O-N 3.13Å; S55-A59 PolarHBondContact O-N 3.41Å; S55-N105 VanDerWaalsContact CB-OD1 3.24Å; S55-N105 WeakPolarHBondContact CB-OD1 3.17Å; S55-N105 PolarHBondContact OG-OD1 2.95Å; S55-I136 WeakPolarHBondContact OG-CG2 3.39Å; S55-W140 PolarHBondContact OG-NE1 3.34Å; S55-W140 VanDerWaalsContact OG-NE1 3.11Å
56L97.3Very high93.4Very high0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-64.4-47.5174.5-17860.6000111.8Y52 I53 V54 L58 A59 D60 N105 I106 I109 V425Y52-L56 PolarHBondContact O-N 3.03Å; I53-L56 PolarHBondContact O-N 3.15Å; V54-L56 PolarHBondContact O-N 2.96Å; L56-L58 PolarHBondContact O-N 3.4Å; L56-A59 WeakPolarHBondContact O-CB 3.3Å; L56-A59 PolarHBondContact O-N 3Å; L56-A59 VanDerWaalsContact O-N 3.07Å; L56-D60 PolarHBondContact O-N 3.29Å; L56-N105 HydrophobicContact CB-CB 4.19Å; L56-N105 HydrophobicContact CD1-CB 4Å; L56-I106 HydrophobicContact CD1-CG1 4.31Å; L56-I106 HydrophobicContact CD2-CG1 4.2Å; L56-I109 HydrophobicContact CD2-CD1 4.1Å; L56-V425 HydrophobicContact CD2-CG1 4.1Å
57A97.7Very high94.8Very high1 Ų124.9 Ų24.91%0.00813%0.131CC..Hα-helixtrans-61.6-32177.600000112.6N32 V35 I36 I53 V54 L61N32-A57 HydrophobicContact CB-CB 4.4Å; V35-A57 HydrophobicContact CB-CB 4.04Å; V35-A57 HydrophobicContact CG1-CB 3.74Å; I36-A57 HydrophobicContact CD1-CB 4.37Å; I36-A57 HydrophobicContact CG1-CB 3.88Å; I53-A57 WeakPolarHBondContact O-CB 3.45Å; I53-A57 PolarHBondContact O-N 3.49Å; V54-A57 PolarHBondContact O-N 3.49Å; A57-L61 VanDerWaalsContact O-CB 3.25Å; A57-L61 WeakPolarHBondContact O-CB 3.31Å; A57-L61 PolarHBondContact O-N 2.86Å
58L98.1Very high95.5Very high71 Ų7120.5 Ų20.537%0.37211%0.114SC..Hα-helixtrans-65.9-42.7173.2179.562.5000111.6V54 S55 L56 L61 L62 W140V54-L58 WeakPolarHBondContact O-CB 3.45Å; V54-L58 PolarHBondContact O-N 3.38Å; S55-L58 PolarHBondContact O-N 3.13Å; L56-L58 PolarHBondContact O-N 3.4Å; L58-L61 PolarHBondContact O-N 3.45Å; L58-L62 HydrophobicContact CD1-CG 4.42Å; L58-L62 HydrophobicContact CG-CD1 4.37Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.36Å; L58-L62 PolarHBondContact O-N 3.41Å; L58-W140 HydrophobicContact CB-CZ2 4.46Å; L58-W140 HydrophobicContact CD2-CZ2 4.14Å; L58-W140 HydrophobicContact CG-CH2 4.49Å; L58-W140 HydrophobicContact CG-CZ2 4.26Å
59A98.1Very high96Very high0 Ų022.6 Ų22.60%013%0.128CC..Hα-helixtrans-61.2-46.7175.100000111.4S55 L56 L61 L62 V63 A101 W140S55-A59 PolarHBondContact O-N 3.41Å; L56-A59 WeakPolarHBondContact O-CB 3.3Å; L56-A59 PolarHBondContact O-N 3Å; L56-A59 VanDerWaalsContact O-N 3.07Å; A59-L61 PolarHBondContact O-N 3.28Å; A59-L62 PolarHBondContact O-N 3.49Å; A59-V63 WeakPolarHBondContact O-CG2 3.33Å; A59-V63 PolarHBondContact O-N 3.44Å; A59-A101 HydrophobicContact CB-CB 4.35Å; A59-W140 HydrophobicContact CB-CH2 3.87Å; A59-W140 HydrophobicContact CB-CZ2 4.18Å
60D97.8Very high96.4Very high0 Ų021.9 Ų21.90%012%0.124CC..Hα-helixtrans-64.4-36.2177.5-70.7-41.5000113N32 L56 V63 A64 S466 N469N32-D60 HydrophobicContact CB-CB 4.4Å; L56-D60 PolarHBondContact O-N 3.29Å; D60-V63 WeakPolarHBondContact O-CB 3.11Å; D60-V63 PolarHBondContact O-N 2.9Å; D60-A64 PolarHBondContact O-N 3Å; D60-S466 WeakPolarHBondContact OD1-CA 3.14Å; D60-S466 VanDerWaalsContact OD1-CB 3.23Å; D60-S466 WeakPolarHBondContact OD1-CB 3.49Å; D60-S466 PolarHBondContact OD1-OG 3.3Å; D60-N469 PolarHBondContact OD2-ND2 3.12Å
61L98.1Very high96.6Very high22 Ų2222.1 Ų22.112%0.11513%0.125CC..Hα-helixtrans-66.8-41.3174.4-175.9147000111.3F29 N32 L33 I36 A57 L58 A59 V63 A64 V65F29-L61 HydrophobicContact CD2-CG 4.3Å; F29-L61 HydrophobicContact CE2-CG 4.46Å; N32-L61 HydrophobicContact CB-CB 4.08Å; L33-L61 HydrophobicContact CB-CD1 3.86Å; L33-L61 HydrophobicContact CD1-CD1 4.2Å; I36-L61 HydrophobicContact CD1-CD1 4.06Å; A57-L61 VanDerWaalsContact O-CB 3.25Å; A57-L61 WeakPolarHBondContact O-CB 3.31Å; A57-L61 PolarHBondContact O-N 2.86Å; L58-L61 PolarHBondContact O-N 3.45Å; A59-L61 PolarHBondContact O-N 3.28Å; L61-V63 VanDerWaalsContact C-N 3.27Å; L61-V63 PolarHBondContact O-N 3Å; L61-A64 WeakPolarHBondContact O-CB 3.38Å; L61-A64 PolarHBondContact O-N 2.82Å; L61-A64 VanDerWaalsContact O-N 3.13Å; L61-V65 HydrophobicContact CD2-CG2 4.12Å; L61-V65 WeakPolarHBondContact O-CG2 3.45Å; L61-V65 PolarHBondContact O-N 3.48Å; L61-V65 VanDerWaalsContact O-N 3.14Å
62L98Very high96.7Very high46 Ų4620.5 Ų20.524%0.24112%0.116CC..Hα-helixtrans-64.9-30.9176.1-71.2174.2000112.2L58 A59 A64 V65 L66 L98 W140L58-L62 HydrophobicContact CD1-CG 4.42Å; L58-L62 HydrophobicContact CG-CD1 4.37Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.36Å; L58-L62 PolarHBondContact O-N 3.41Å; A59-L62 PolarHBondContact O-N 3.49Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-V65 PolarHBondContact O-N 2.94Å; L62-L66 HydrophobicContact CB-CD1 4.42Å; L62-L66 HydrophobicContact CD2-CD1 4.16Å; L62-L66 VanDerWaalsContact O-CB 3.32Å; L62-L66 WeakPolarHBondContact O-CB 3.29Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 3.46Å; L62-L98 HydrophobicContact CB-CD1 3.86Å; L62-L98 HydrophobicContact CB-CD2 3.7Å; L62-L98 HydrophobicContact CB-CG 4.46Å; L62-L98 HydrophobicContact CD1-CD2 3.91Å; L62-L98 HydrophobicContact CG-CD2 4.48Å; L62-W140 HydrophobicContact CD1-CH2 4Å; L62-W140 HydrophobicContact CD1-CZ3 4.32Å
63V97.9Very high96.7Very high6 Ų623.6 Ų23.64%0.03613%0.132CC..Iπ-helixtrans-59-46.8170.5169.40000110.3A59 D60 L61 V65 L67 L68 L98 Y463A59-V63 WeakPolarHBondContact O-CG2 3.33Å; A59-V63 PolarHBondContact O-N 3.44Å; D60-V63 WeakPolarHBondContact O-CB 3.11Å; D60-V63 PolarHBondContact O-N 2.9Å; L61-V63 VanDerWaalsContact C-N 3.27Å; L61-V63 PolarHBondContact O-N 3Å; V63-V65 VanDerWaalsContact C-N 3.32Å; V63-V65 PolarHBondContact O-N 3.21Å; V63-L67 HydrophobicContact CB-CD1 4.42Å; V63-L67 HydrophobicContact CG1-CB 4.42Å; V63-L67 HydrophobicContact CG1-CD1 4.26Å; V63-L67 HydrophobicContact CG2-CD1 4.09Å; V63-L67 WeakPolarHBondContact O-CB 3.46Å; V63-L67 PolarHBondContact O-N 2.97Å; V63-L68 HydrophobicContact CG1-CD2 4.35Å; V63-L68 HydrophobicContact CG1-CG 4.25Å; V63-L68 PolarHBondContact O-N 2.97Å; V63-L68 VanDerWaalsContact O-N 3.07Å; V63-L98 HydrophobicContact CG2-CB 3.96Å; V63-L98 HydrophobicContact CG2-CD1 4.16Å; V63-Y463 HydrophobicContact CG1-CD1 3.64Å; V63-Y463 HydrophobicContact CG1-CE1 4.03Å
64A97.7Very high96.6Very high9 Ų924 Ų247%0.07413%0.133CC..Iπ-helixtrans-64.5-34179.600000113.8I28 F29 D60 L61 L62 L68 P69I28-A64 HydrophobicContact CB-CB 4.14Å; I28-A64 HydrophobicContact CG2-CB 3.79Å; F29-A64 HydrophobicContact CB-CB 4.01Å; D60-A64 PolarHBondContact O-N 3Å; L61-A64 WeakPolarHBondContact O-CB 3.38Å; L61-A64 PolarHBondContact O-N 2.82Å; L61-A64 VanDerWaalsContact O-N 3.13Å; L62-A64 VanDerWaalsContact C-N 3.33Å; A64-L68 HydrophobicContact CB-CD1 4.13Å; A64-P69 WeakPolarHBondContact O-CD 3.39Å
65V97.5Very high96.4Very high70 Ų7025.4 Ų25.442%0.42414%0.137SC..Iπ-helixtrans-83.3-42.6-178.2178.80000112F29 L61 L62 V63F29-V65 HydrophobicContact CD2-CG2 3.82Å; F29-V65 HydrophobicContact CE2-CG2 3.83Å; L61-V65 HydrophobicContact CD2-CG2 4.12Å; L61-V65 WeakPolarHBondContact O-CG2 3.45Å; L61-V65 PolarHBondContact O-N 3.48Å; L61-V65 VanDerWaalsContact O-N 3.14Å; L62-V65 PolarHBondContact O-N 2.94Å; V63-V65 VanDerWaalsContact C-N 3.32Å; V63-V65 PolarHBondContact O-N 3.21Å
66L96.1Very high96.1Very high40 Ų4028.3 Ų28.321%0.20915%0.152CC..Iπ-helixtrans-101.6-29.9-167.5-57.4178.9000113.8L62 Y90 F94L62-L66 HydrophobicContact CB-CD1 4.42Å; L62-L66 HydrophobicContact CD2-CD1 4.16Å; L62-L66 VanDerWaalsContact O-CB 3.32Å; L62-L66 WeakPolarHBondContact O-CB 3.29Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 3.46Å; L66-Y90 WeakPolarHBondContact CD2-OH 3.33Å; L66-F94 HydrophobicContact CD1-CD1 3.52Å; L66-F94 HydrophobicContact CD1-CE1 3.6Å
67L96.5Very high95.8Very high1 Ų130.2 Ų30.21%0.00517%0.168CC..Iπ-helixtrans-105-46.9-172.8-56.5-177.1000112.8V63 L70 F71 W91 F94 N95 L98 Y463V63-L67 HydrophobicContact CB-CD1 4.42Å; V63-L67 HydrophobicContact CG1-CB 4.42Å; V63-L67 HydrophobicContact CG1-CD1 4.26Å; V63-L67 HydrophobicContact CG2-CD1 4.09Å; V63-L67 WeakPolarHBondContact O-CB 3.46Å; V63-L67 PolarHBondContact O-N 2.97Å; L67-L70 PolarHBondContact O-N 3.36Å; L67-F71 WeakPolarHBondContact O-CB 3.44Å; L67-F71 PolarHBondContact O-N 3.1Å; L67-W91 PolarHBondContact O-NE1 3.21Å; L67-F94 HydrophobicContact CD2-CB 3.87Å; L67-N95 HydrophobicContact CD1-CB 4.12Å; L67-N95 HydrophobicContact CD2-CB 4.12Å; L67-L98 HydrophobicContact CD1-CB 4.4Å; L67-L98 HydrophobicContact CD1-CD1 3.98Å; L67-L98 HydrophobicContact CG-CD1 4.07Å; L67-Y463 HydrophobicContact CB-CE1 4.4Å; L67-Y463 HydrophobicContact CD1-CE1 3.96Å
68L97Very high95.4Very high0 Ų032.5 Ų32.50%019%0.192CC..Hα-helixtrans-62.3-42.9-172.7-64.2-174.8000113.8A25 I28 V63 A64 L70 F71 I72 W460 Y463A25-L68 HydrophobicContact CB-CB 4.17Å; A25-L68 HydrophobicContact CB-CD1 3.68Å; I28-L68 HydrophobicContact CB-CD1 4.49Å; I28-L68 HydrophobicContact CD1-CD1 3.55Å; V63-L68 HydrophobicContact CG1-CD2 4.35Å; V63-L68 HydrophobicContact CG1-CG 4.25Å; V63-L68 PolarHBondContact O-N 2.97Å; V63-L68 VanDerWaalsContact O-N 3.07Å; A64-L68 HydrophobicContact CB-CD1 4.13Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.48Å; L68-F71 PolarHBondContact O-N 3.3Å; L68-I72 WeakPolarHBondContact O-CB 3.45Å; L68-I72 WeakPolarHBondContact O-CG1 3.21Å; L68-I72 PolarHBondContact O-N 3.07Å; L68-W460 HydrophobicContact CD2-CH2 4.44Å; L68-W460 HydrophobicContact CD2-CZ3 4.2Å; L68-Y463 HydrophobicContact CD2-CD1 4.22Å; L68-Y463 HydrophobicContact CD2-CD2 3.94Å; L68-Y463 HydrophobicContact CD2-CG 3.78Å
69P96.2Very high95Very high60 Ų6034.8 Ų34.839%0.3920%0.196SC..Hα-helixtrans-59.1-45.3-179.8-25.836.3000112.3A64 I73A64-P69 WeakPolarHBondContact O-CD 3.39Å; P69-I73 VanDerWaalsContact O-CG1 3.28Å; P69-I73 WeakPolarHBondContact O-CG1 3.49Å; P69-I73 PolarHBondContact O-N 3.27Å; P69-I73 VanDerWaalsContact O-N 3.09Å
70L94.9Very high94.7Very high22 Ų2234.8 Ų34.812%0.11520%0.196CC..Hα-helixtrans-70.1-36.2178.4-66.2175.5000112.1L67 L68 I73 R74 W80 Y82 L87 W91L67-L70 PolarHBondContact O-N 3.36Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.48Å; L70-I73 PolarHBondContact O-N 3.41Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 2.7Å; L70-W80 HydrophobicContact CB-CH2 4.5Å; L70-W80 HydrophobicContact CB-CZ3 4.43Å; L70-W80 HydrophobicContact CD1-CH2 4.4Å; L70-W80 HydrophobicContact CD2-CH2 4.49Å; L70-Y82 HydrophobicContact CD2-CD2 4.5Å; L70-Y82 HydrophobicContact CD2-CE2 3.72Å; L70-L87 HydrophobicContact CD1-CD1 4.09Å; L70-L87 HydrophobicContact CD1-CG 4.44Å; L70-L87 HydrophobicContact CD2-CD2 4.26Å; L70-W91 HydrophobicContact CB-CG 4.17Å; L70-W91 HydrophobicContact CD1-CB 3.9Å; L70-W91 HydrophobicContact CD1-CG 3.92Å
71F94.9Very high94.5Very high9 Ų936.8 Ų36.84%0.03921%0.209CC..Hα-helixtrans-66.9-42176.6-170.1-123.3000112.2L67 L68 R74 Q75 W91 M456 W460 Y463L67-F71 WeakPolarHBondContact O-CB 3.44Å; L67-F71 PolarHBondContact O-N 3.1Å; L68-F71 PolarHBondContact O-N 3.3Å; F71-R74 PolarHBondContact O-N 2.73Å; F71-Q75 WeakPolarHBondContact O-CB 3.31Å; F71-Q75 PolarHBondContact O-N 3.35Å; F71-W91 HydrophobicContact CB-CZ2 4.09Å; F71-W91 HydrophobicContact CD2-CH2 4.12Å; F71-W91 AromaticContact CD2-CZ2 3.67Å; F71-W91 HydrophobicContact CD2-CZ2 3.67Å; F71-W91 HydrophobicContact CG-CZ2 4.33Å; F71-M456 HydrophobicContact CD2-SD 4.25Å; F71-M456 HydrophobicContact CE2-SD 3.4Å; F71-M456 WeakPolarHBondContact CE2-SD 3.47Å; F71-M456 HydrophobicContact CZ-SD 3.89Å; F71-W460 HydrophobicContact CD1-CD2 4.07Å; F71-W460 AromaticContact CD1-CE2 3.55Å; F71-W460 HydrophobicContact CD1-CH2 4.15Å; F71-W460 AromaticContact CD1-CZ2 3.58Å; F71-W460 HydrophobicContact CD1-CZ2 3.58Å; F71-W460 AromaticContact CD1-NE1 3.81Å; F71-W460 AromaticContact CE1-CD1 3.48Å; F71-W460 VanDerWaalsContact CE1-CD1 3.48Å; F71-W460 AromaticContact CE1-CD2 3.65Å; F71-W460 HydrophobicContact CE1-CD2 3.65Å; F71-W460 AromaticContact CE1-CE2 3.38Å; F71-W460 HydrophobicContact CE1-CE3 4.41Å; F71-W460 AromaticContact CE1-CG 3.7Å; F71-W460 HydrophobicContact CE1-CG 3.7Å; F71-W460 AromaticContact CE1-CZ2 3.95Å; F71-W460 HydrophobicContact CE1-CZ2 3.95Å; F71-W460 AromaticContact CE1-NE1 3.28Å; F71-W460 VanDerWaalsContact CE1-NE1 3.28Å; F71-W460 HydrophobicContact CZ-CG 4.5Å; F71-Y463 HydrophobicContact CB-CE2 4.41Å; F71-Y463 AromaticContact CD1-CD2 3.65Å; F71-Y463 HydrophobicContact CD1-CD2 3.65Å; F71-Y463 AromaticContact CD1-CE2 3.46Å; F71-Y463 HydrophobicContact CD1-CE2 3.46Å; F71-Y463 VanDerWaalsContact CD1-CE2 3.46Å; F71-Y463 HydrophobicContact CD2-CE2 4.13Å; F71-Y463 AromaticContact CE1-CD2 3.6Å; F71-Y463 HydrophobicContact CE1-CD2 3.6Å; F71-Y463 AromaticContact CE1-CE2 3.55Å; F71-Y463 HydrophobicContact CE1-CE2 3.55Å; F71-Y463 HydrophobicContact CE2-CE2 4.2Å; F71-Y463 HydrophobicContact CG-CD2 4.39Å; F71-Y463 AromaticContact CG-CE2 3.76Å; F71-Y463 HydrophobicContact CG-CE2 3.76Å; F71-Y463 HydrophobicContact CZ-CD2 4.31Å; F71-Y463 AromaticContact CZ-CE2 3.93Å; F71-Y463 HydrophobicContact CZ-CE2 3.93Å
72I95.8Very high94.2Very high13 Ų1339.3 Ų39.37%0.06722%0.218CC..Hα-helixtrans-60-49.2174.6-69.8171.2000110.1F18 Q21 A25 L68 R74 Q75 N76 W460F18-I72 HydrophobicContact CD2-CG2 3.76Å; F18-I72 HydrophobicContact CE2-CG2 3.47Å; F18-I72 VanDerWaalsContact CE2-CG2 3.47Å; Q21-I72 HydrophobicContact CB-CD1 4.17Å; Q21-I72 HydrophobicContact CB-CG1 4Å; A25-I72 HydrophobicContact CB-CD1 4.15Å; L68-I72 WeakPolarHBondContact O-CB 3.45Å; L68-I72 WeakPolarHBondContact O-CG1 3.21Å; L68-I72 PolarHBondContact O-N 3.07Å; I72-R74 PolarHBondContact O-N 3.12Å; I72-Q75 PolarHBondContact O-N 2.94Å; I72-N76 PolarHBondContact O-N 3.04Å; I72-N76 PolarHBondContact O-ND2 2.86Å; I72-W460 HydrophobicContact CD1-CH2 4.05Å; I72-W460 HydrophobicContact CG1-CH2 3.47Å; I72-W460 VanDerWaalsContact CG1-CH2 3.47Å; I72-W460 HydrophobicContact CG1-CZ2 3.64Å
73I94.3Very high93.8Very high68 Ų6844.7 Ų44.735%0.34924%0.242SC..Hα-helixtrans-60.8-48.2-179.9-70.6169.2000110.7P69 L70 Q75 N76 A77 P81 Y82P69-I73 VanDerWaalsContact O-CG1 3.28Å; P69-I73 WeakPolarHBondContact O-CG1 3.49Å; P69-I73 PolarHBondContact O-N 3.27Å; P69-I73 VanDerWaalsContact O-N 3.09Å; L70-I73 PolarHBondContact O-N 3.41Å; I73-Q75 VanDerWaalsContact C-N 3.35Å; I73-Q75 PolarHBondContact O-N 2.85Å; I73-N76 PolarHBondContact O-N 3.46Å; I73-A77 VanDerWaalsContact O-CB 3.28Å; I73-A77 WeakPolarHBondContact O-CB 3.46Å; I73-A77 PolarHBondContact O-N 3.37Å; I73-P81 HydrophobicContact CG2-CG 3.66Å; I73-Y82 VanDerWaalsContact CD1-OH 3.22Å; I73-Y82 WeakPolarHBondContact CD1-OH 3.41Å; I73-Y82 HydrophobicContact CG2-CE2 4.15Å
74R92.1Very high93.4Very high28 Ų2847 Ų4711%0.10626%0.258CS..Hα-helixtrans-58.2-46.1177.6-175.8-165.8169.5127.1-2.3112L70 F71 I72 G78 Y79 W80 C163 E452 M456L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 PolarHBondContact O-N 2.7Å; F71-R74 PolarHBondContact O-N 2.73Å; I72-R74 PolarHBondContact O-N 3.12Å; R74-G78 PolarHBondContact O-N 3.46Å; R74-Y79 PolarHBondContact O-N 3.47Å; R74-W80 HydrophobicContact CB-CE3 4.33Å; R74-W80 HydrophobicContact CG-CE3 4.32Å; R74-C163 PolarHBondContact NH1-O 3.43Å; R74-E452 IonicContact CZ-OE1 3.49Å; R74-E452 IonicContact NE-OE1 3.41Å; R74-E452 PolarHBondContact NE-OE1 3.22Å; R74-E452 IonicContact NH2-OE1 2.74Å; R74-E452 PolarHBondContact NH2-OE1 3.2Å; R74-M456 HydrophobicContact CG-CE 3.89Å
75Q91.3Very high92.9Very high61 Ų6150.7 Ų50.729%0.28527%0.274SS..Hα-helixtrans-64-42.4-177.8179.560.713.900112.2F71 I72 I73 G78 M456F71-Q75 WeakPolarHBondContact O-CB 3.31Å; F71-Q75 PolarHBondContact O-N 3.35Å; I72-Q75 PolarHBondContact O-N 2.94Å; I73-Q75 VanDerWaalsContact C-N 3.35Å; I73-Q75 PolarHBondContact O-N 2.85Å; Q75-G78 PolarHBondContact O-N 3.33Å; Q75-M456 PolarHBondContact OE1-SD 3.41Å
76N91.4Very high92.4Very high67 Ų6756.2 Ų56.236%0.35829%0.288SS..Hα-helixtrans-78.7-30.4-177.8-68-67.7000112.7F18 Q21 I72 I73 G78F18-N76 WeakPolarHBondContact CD2-ND2 3.25Å; Q21-N76 PolarHBondContact OE1-ND2 2.93Å; I72-N76 PolarHBondContact O-N 3.04Å; I72-N76 PolarHBondContact O-ND2 2.86Å; I73-N76 PolarHBondContact O-N 3.46Å; N76-G78 VanDerWaalsContact C-N 3.28Å
77A90.8Very high92.2Very high41 Ų4156.8 Ų56.834%0.33929%0.291SS..Hα-helixtrans-69.6-28.9169.500000111.9I73 Y79I73-A77 VanDerWaalsContact O-CB 3.28Å; I73-A77 WeakPolarHBondContact O-CB 3.46Å; I73-A77 PolarHBondContact O-N 3.37Å; A77-Y79 HydrophobicContact CB-CD1 4.19Å; A77-Y79 HydrophobicContact CB-CE1 4.12Å; A77-Y79 WeakPolarHBondContact O-CD1 3.32Å; A77-Y79 WeakPolarHBondContact O-CE1 3.24Å; A77-Y79 PolarHBondContact O-N 3.49Å
78G88.8Confident91.9Very high49 Ų4956.8 Ų56.851%0.50529%0.291SS..THydrogen-bonded Turntrans77.31.2-172.800000113.6R74 Q75 N76R74-G78 PolarHBondContact O-N 3.46Å; Q75-G78 PolarHBondContact O-N 3.33Å; N76-G78 VanDerWaalsContact C-N 3.28Å
79Y90.2Very high91.5Very high118 Ų11857.5 Ų57.546%0.46330%0.295SS..SBendtrans-153.5169.6178.567.6-87.9000109R74 A77 P81 V160R74-Y79 PolarHBondContact O-N 3.47Å; A77-Y79 HydrophobicContact CB-CD1 4.19Å; A77-Y79 HydrophobicContact CB-CE1 4.12Å; A77-Y79 WeakPolarHBondContact O-CD1 3.32Å; A77-Y79 WeakPolarHBondContact O-CE1 3.24Å; A77-Y79 PolarHBondContact O-N 3.49Å; Y79-P81 HydrophobicContact CE2-CB 4Å; Y79-P81 VanDerWaalsContact O-CD 3.29Å; Y79-P81 WeakPolarHBondContact O-CD 3.44Å; Y79-V160 HydrophobicContact CD2-CG1 4.06Å; Y79-V160 HydrophobicContact CE2-CG1 3.87Å
80W91.9Very high91.1Very high1 Ų158.3 Ų58.30%0.00429%0.291CS..  trans-80.7112.6172.8-178.8-99.9000110.5L70 R74 Y82 L87 C88 W91 V160 G161 C163L70-W80 HydrophobicContact CB-CH2 4.5Å; L70-W80 HydrophobicContact CB-CZ3 4.43Å; L70-W80 HydrophobicContact CD1-CH2 4.4Å; L70-W80 HydrophobicContact CD2-CH2 4.49Å; R74-W80 HydrophobicContact CB-CE3 4.33Å; R74-W80 HydrophobicContact CG-CE3 4.32Å; W80-Y82 VanDerWaalsContact C-N 3.34Å; W80-Y82 HydrophobicContact CD2-CD2 4.3Å; W80-Y82 AromaticContact CE2-CD2 3.84Å; W80-Y82 HydrophobicContact CH2-CD2 4.14Å; W80-Y82 AromaticContact CZ2-CD2 3.76Å; W80-Y82 HydrophobicContact CZ2-CD2 3.76Å; W80-Y82 HydrophobicContact CZ2-CG 4.43Å; W80-Y82 PolarHBondContact NE1-O 3.39Å; W80-Y82 PolarHBondContact O-N 2.89Å; W80-L87 HydrophobicContact CH2-CG 4.31Å; W80-L87 HydrophobicContact CZ2-CB 4.3Å; W80-L87 HydrophobicContact CZ2-CD2 4.09Å; W80-L87 HydrophobicContact CZ2-CG 3.94Å; W80-C88 HydrophobicContact CZ2-CB 3.94Å; W80-W91 HydrophobicContact CE3-CE3 4.42Å; W80-W91 HydrophobicContact CH2-CB 4.09Å; W80-W91 HydrophobicContact CH2-CD2 4.25Å; W80-W91 HydrophobicContact CH2-CE3 4.21Å; W80-W91 HydrophobicContact CH2-CG 4.2Å; W80-W91 AromaticContact CZ3-CD2 3.92Å; W80-W91 HydrophobicContact CZ3-CD2 3.92Å; W80-W91 AromaticContact CZ3-CE3 3.73Å; W80-W91 HydrophobicContact CZ3-CE3 3.73Å; W80-W91 HydrophobicContact CZ3-CG 4.32Å; W80-W91 HydrophobicContact CZ3-CZ3 4.26Å; W80-V160 WeakPolarHBondContact O-CA 3.14Å; W80-G161 PolarHBondContact O-N 3.27Å; W80-C163 HydrophobicContact CB-CB 3.6Å; W80-C163 HydrophobicContact CD2-CB 3.44Å; W80-C163 VanDerWaalsContact CD2-CB 3.44Å; W80-C163 HydrophobicContact CE3-CB 3.93Å; W80-C163 HydrophobicContact CG-CB 3.29Å
81P92.3Very high91Very high42 Ų4257.7 Ų57.727%0.27329%0.287SS..  trans-85.7-4.2-169.634.6-35.6000114.2I73 Y79I73-P81 HydrophobicContact CG2-CG 3.66Å; Y79-P81 HydrophobicContact CE2-CB 4Å; Y79-P81 VanDerWaalsContact O-CD 3.29Å; Y79-P81 WeakPolarHBondContact O-CD 3.44Å
82Y93.1Very high90.7Very high75 Ų7558 Ų5829%0.29429%0.29SS..  trans-100.4132.2-174.1-54.2-75.8000111.8L70 I73 W80 S84 L87L70-Y82 HydrophobicContact CD2-CD2 4.5Å; L70-Y82 HydrophobicContact CD2-CE2 3.72Å; I73-Y82 VanDerWaalsContact CD1-OH 3.22Å; I73-Y82 WeakPolarHBondContact CD1-OH 3.41Å; I73-Y82 HydrophobicContact CG2-CE2 4.15Å; W80-Y82 VanDerWaalsContact C-N 3.34Å; W80-Y82 HydrophobicContact CD2-CD2 4.3Å; W80-Y82 AromaticContact CE2-CD2 3.84Å; W80-Y82 HydrophobicContact CH2-CD2 4.14Å; W80-Y82 AromaticContact CZ2-CD2 3.76Å; W80-Y82 HydrophobicContact CZ2-CD2 3.76Å; W80-Y82 HydrophobicContact CZ2-CG 4.43Å; W80-Y82 PolarHBondContact NE1-O 3.39Å; W80-Y82 PolarHBondContact O-N 2.89Å; Y82-S84 VanDerWaalsContact C-N 3.3Å; Y82-L87 HydrophobicContact CD1-CD2 3.94Å; Y82-L87 HydrophobicContact CD2-CD2 3.64Å; Y82-L87 HydrophobicContact CE1-CD2 4.36Å; Y82-L87 HydrophobicContact CE2-CD2 4.09Å; Y82-L87 HydrophobicContact CG-CD2 3.54Å
83E89.3Confident90.4Very high159 Ų15957.5 Ų57.574%0.74329%0.287SS*.  trans-72.3-24.7173.2-74.4177-175.600113H85 V160E83-H85 PolarHBondContact O-N 3.35Å; E83-H85 VanDerWaalsContact O-N 3.09Å; E83-V160 HydrophobicContact CB-CG2 4.46Å; E83-V160 HydrophobicContact CG-CG2 3.36Å
84S90.3Very high90.3Very high54 Ų5456.5 Ų56.538%0.37828%0.28SS..  trans-62.2112.2-174.9178.60000112.4Y82 Y86 L87 C88Y82-S84 VanDerWaalsContact C-N 3.3Å; S84-Y86 VanDerWaalsContact C-N 3.32Å; S84-Y86 PolarHBondContact O-N 2.86Å; S84-L87 PolarHBondContact O-N 3.47Å; S84-L87 PolarHBondContact OG-N 3.16Å; S84-C88 PolarHBondContact O-N 3.44Å
85H86.4Confident90.4Very high86 Ų8656.6 Ų56.640%0.39828%0.282SS..Hα-helixtrans-52.5-51.6170175.184.3000110.7E83 L87 C88 V89 T158E83-H85 PolarHBondContact O-N 3.35Å; E83-H85 VanDerWaalsContact O-N 3.09Å; H85-L87 VanDerWaalsContact C-N 3.3Å; H85-L87 PolarHBondContact O-N 2.99Å; H85-C88 PolarHBondContact O-N 3.4Å; H85-C88 VanDerWaalsContact O-N 3.13Å; H85-V89 WeakPolarHBondContact NE2-CG2 3.33Å; H85-V89 WeakPolarHBondContact O-CG2 3.33Å; H85-V89 PolarHBondContact O-N 2.96Å; H85-T158 HydrophobicContact CB-CG2 4.44Å; H85-T158 WeakPolarHBondContact ND1-CB 3.22Å; H85-T158 WeakPolarHBondContact ND1-CG2 3.38Å; H85-T158 PolarHBondContact ND1-OG1 3.46Å
86Y88Confident90.4Very high187 Ų18754.4 Ų54.473%0.73327%0.274SS*.Hα-helixtrans-60.6-37-175.8-60.2-66.4000113S84 V89 Y90S84-Y86 VanDerWaalsContact C-N 3.32Å; S84-Y86 PolarHBondContact O-N 2.86Å; Y86-V89 PolarHBondContact O-N 3.28Å; Y86-Y90 WeakPolarHBondContact O-CB 3.46Å; Y86-Y90 PolarHBondContact O-N 3.45Å
87L91.4Very high90.5Very high52 Ų5252.6 Ų52.627%0.27226%0.263SS..Hα-helixtrans-66-40.9178.6-172.666000111.6L70 W80 Y82 S84 H85 W91L70-L87 HydrophobicContact CD1-CD1 4.09Å; L70-L87 HydrophobicContact CD1-CG 4.44Å; L70-L87 HydrophobicContact CD2-CD2 4.26Å; W80-L87 HydrophobicContact CH2-CG 4.31Å; W80-L87 HydrophobicContact CZ2-CB 4.3Å; W80-L87 HydrophobicContact CZ2-CD2 4.09Å; W80-L87 HydrophobicContact CZ2-CG 3.94Å; Y82-L87 HydrophobicContact CD1-CD2 3.94Å; Y82-L87 HydrophobicContact CD2-CD2 3.64Å; Y82-L87 HydrophobicContact CE1-CD2 4.36Å; Y82-L87 HydrophobicContact CE2-CD2 4.09Å; Y82-L87 HydrophobicContact CG-CD2 3.54Å; S84-L87 PolarHBondContact O-N 3.47Å; S84-L87 PolarHBondContact OG-N 3.16Å; H85-L87 VanDerWaalsContact C-N 3.3Å; H85-L87 PolarHBondContact O-N 2.99Å; L87-W91 VanDerWaalsContact O-CB 3.31Å; L87-W91 WeakPolarHBondContact O-CB 3.45Å; L87-W91 PolarHBondContact O-N 3.22Å
88C90.2Very high90.8Very high0 Ų050.7 Ų50.70%025%0.246CC..Hα-helixtrans-65.2-49.2176.1174.90000111.5W80 S84 H85 Y90 W91 L92 T158 C163W80-C88 HydrophobicContact CZ2-CB 3.94Å; S84-C88 PolarHBondContact O-N 3.44Å; H85-C88 PolarHBondContact O-N 3.4Å; H85-C88 VanDerWaalsContact O-N 3.13Å; C88-Y90 VanDerWaalsContact C-N 3.32Å; C88-Y90 PolarHBondContact O-N 3.36Å; C88-W91 PolarHBondContact O-N 3.43Å; C88-L92 WeakPolarHBondContact O-CB 3.43Å; C88-L92 WeakPolarHBondContact O-CG 3.43Å; C88-L92 PolarHBondContact O-N 3.06Å; C88-L92 VanDerWaalsContact SG-CD1 3.59Å; C88-T158 HydrophobicContact CB-CG2 3.99Å; C88-C163 VanDerWaalsContact CA-SG 3.53Å; C88-C163 HydrophobicContact CB-CB 3.95Å; C88-C163 WeakPolarHBondContact CB-SG 3.39Å; C88-C163 WeakPolarHBondContact SG-CA 3.42Å; C88-C163 WeakPolarHBondContact SG-CB 3.43Å; C88-C163 CovalentContact SG-SG 2.03Å; C88-C163 PolarHBondContact SG-SG 3.33Å
89V87.1Confident91.1Very high15 Ų1548.7 Ų48.79%0.09123%0.225CC..Hα-helixtrans-59.3-44.8178.1174.80000111.1H85 Y86 S93 H156 T158H85-V89 WeakPolarHBondContact NE2-CG2 3.33Å; H85-V89 WeakPolarHBondContact O-CG2 3.33Å; H85-V89 PolarHBondContact O-N 2.96Å; Y86-V89 PolarHBondContact O-N 3.28Å; V89-S93 WeakPolarHBondContact O-CB 3.36Å; V89-S93 PolarHBondContact O-N 3.24Å; V89-S93 PolarHBondContact O-OG 3.5Å; V89-H156 HydrophobicContact CG2-CB 4.1Å; V89-H156 VanDerWaalsContact CG2-CD2 3.44Å; V89-H156 WeakPolarHBondContact CG2-CD2 3.34Å; V89-T158 HydrophobicContact CG2-CG2 4.1Å
90Y89.3Confident91.3Very high77 Ų7743.2 Ų43.230%0.30220%0.204SC..Hα-helixtrans-57.7-52.1175.5174.5-91.1000111.3L66 Y86 C88 L92 S93 F94L66-Y90 WeakPolarHBondContact CD2-OH 3.33Å; Y86-Y90 WeakPolarHBondContact O-CB 3.46Å; Y86-Y90 PolarHBondContact O-N 3.45Å; C88-Y90 VanDerWaalsContact C-N 3.32Å; C88-Y90 PolarHBondContact O-N 3.36Å; Y90-L92 PolarHBondContact O-N 3.49Å; Y90-S93 PolarHBondContact O-N 3.44Å; Y90-F94 HydrophobicContact CD1-CD2 4.3Å; Y90-F94 AromaticContact CD2-CD2 3.57Å; Y90-F94 HydrophobicContact CD2-CD2 3.57Å; Y90-F94 AromaticContact CD2-CE2 3.49Å; Y90-F94 HydrophobicContact CD2-CE2 3.49Å; Y90-F94 VanDerWaalsContact CD2-CE2 3.49Å; Y90-F94 HydrophobicContact CD2-CZ 4.45Å; Y90-F94 HydrophobicContact CE1-CD2 4.07Å; Y90-F94 HydrophobicContact CE1-CE2 4.48Å; Y90-F94 HydrophobicContact CE1-CG 4.25Å; Y90-F94 AromaticContact CE2-CD2 3.32Å; Y90-F94 HydrophobicContact CE2-CD2 3.32Å; Y90-F94 HydrophobicContact CE2-CE1 4.33Å; Y90-F94 AromaticContact CE2-CE2 2.99Å; Y90-F94 HydrophobicContact CE2-CE2 2.99Å; Y90-F94 HydrophobicContact CE2-CG 4.14Å; Y90-F94 AromaticContact CE2-CZ 3.56Å; Y90-F94 HydrophobicContact CE2-CZ 3.56Å; Y90-F94 HydrophobicContact CG-CD2 4.06Å; Y90-F94 HydrophobicContact CG-CE2 4.41Å; Y90-F94 AromaticContact CZ-CD2 3.56Å; Y90-F94 AromaticContact CZ-CE2 3.56Å; Y90-F94 AromaticContact CZ-CG 3.91Å; Y90-F94 AromaticContact CZ-CZ 3.87Å; Y90-F94 WeakPolarHBondContact O-CB 3.43Å; Y90-F94 WeakPolarHBondContact O-CD2 3.41Å; Y90-F94 PolarHBondContact O-N 3.5Å
91W91.9Very high91.6Very high10 Ų1043.2 Ų43.24%0.03820%0.204CC..Hα-helixtrans-61.9-46.1-177.3177.667.1000112.3L67 L70 F71 W80 L87 C88 N95L67-W91 PolarHBondContact O-NE1 3.21Å; L70-W91 HydrophobicContact CB-CG 4.17Å; L70-W91 HydrophobicContact CD1-CB 3.9Å; L70-W91 HydrophobicContact CD1-CG 3.92Å; F71-W91 HydrophobicContact CB-CZ2 4.09Å; F71-W91 HydrophobicContact CD2-CH2 4.12Å; F71-W91 AromaticContact CD2-CZ2 3.67Å; F71-W91 HydrophobicContact CD2-CZ2 3.67Å; F71-W91 HydrophobicContact CG-CZ2 4.33Å; W80-W91 HydrophobicContact CE3-CE3 4.42Å; W80-W91 HydrophobicContact CH2-CB 4.09Å; W80-W91 HydrophobicContact CH2-CD2 4.25Å; W80-W91 HydrophobicContact CH2-CE3 4.21Å; W80-W91 HydrophobicContact CH2-CG 4.2Å; W80-W91 AromaticContact CZ3-CD2 3.92Å; W80-W91 HydrophobicContact CZ3-CD2 3.92Å; W80-W91 AromaticContact CZ3-CE3 3.73Å; W80-W91 HydrophobicContact CZ3-CE3 3.73Å; W80-W91 HydrophobicContact CZ3-CG 4.32Å; W80-W91 HydrophobicContact CZ3-CZ3 4.26Å; L87-W91 VanDerWaalsContact O-CB 3.31Å; L87-W91 WeakPolarHBondContact O-CB 3.45Å; L87-W91 PolarHBondContact O-N 3.22Å; C88-W91 PolarHBondContact O-N 3.43Å; W91-N95 WeakPolarHBondContact O-CB 3.48Å; W91-N95 PolarHBondContact O-N 2.89Å
92L89.4Confident91.8Very high16 Ų1641.3 Ų41.38%0.08419%0.192CC..Hα-helixtrans-63.4-44.1177-69.6171.6000111.8C88 Y90 N95 V96 I165C88-L92 WeakPolarHBondContact O-CB 3.43Å; C88-L92 WeakPolarHBondContact O-CG 3.43Å; C88-L92 PolarHBondContact O-N 3.06Å; C88-L92 VanDerWaalsContact SG-CD1 3.59Å; Y90-L92 PolarHBondContact O-N 3.49Å; L92-N95 WeakPolarHBondContact O-CB 3.18Å; L92-N95 PolarHBondContact O-N 3.31Å; L92-V96 PolarHBondContact O-N 3.43Å; L92-I165 HydrophobicContact CB-CD1 4.32Å; L92-I165 HydrophobicContact CB-CG1 4.2Å; L92-I165 HydrophobicContact CD1-CG1 3.8Å; L92-I165 HydrophobicContact CD2-CD1 4.44Å; L92-I165 HydrophobicContact CD2-CG1 4.09Å; L92-I165 HydrophobicContact CG-CG1 4.25Å
93S89.4Confident91.9Very high1 Ų137.9 Ų37.91%0.00718%0.178CC..Hα-helixtrans-66.2-46179.4-60.50000111.5V89 Y90 N95 V96 F97 T147 F151V89-S93 WeakPolarHBondContact O-CB 3.36Å; V89-S93 PolarHBondContact O-N 3.24Å; V89-S93 PolarHBondContact O-OG 3.5Å; Y90-S93 PolarHBondContact O-N 3.44Å; S93-N95 PolarHBondContact O-N 2.98Å; S93-V96 PolarHBondContact O-N 2.82Å; S93-F97 WeakPolarHBondContact O-CB 3.26Å; S93-F97 PolarHBondContact O-N 3.12Å; S93-T147 WeakPolarHBondContact O-CG2 3.42Å; S93-F151 VanDerWaalsContact CB-CE2 3.4Å
94F92.5Very high92.3Very high48 Ų4832.1 Ų32.121%0.21115%0.152CC..Hα-helixtrans-64.1-30.1177.5-92.5-101.2000112.6L66 L67 Y90 F97 L98L66-F94 HydrophobicContact CD1-CD1 3.52Å; L66-F94 HydrophobicContact CD1-CE1 3.6Å; L67-F94 HydrophobicContact CD2-CB 3.87Å; Y90-F94 HydrophobicContact CD1-CD2 4.3Å; Y90-F94 AromaticContact CD2-CD2 3.57Å; Y90-F94 HydrophobicContact CD2-CD2 3.57Å; Y90-F94 AromaticContact CD2-CE2 3.49Å; Y90-F94 HydrophobicContact CD2-CE2 3.49Å; Y90-F94 VanDerWaalsContact CD2-CE2 3.49Å; Y90-F94 HydrophobicContact CD2-CZ 4.45Å; Y90-F94 HydrophobicContact CE1-CD2 4.07Å; Y90-F94 HydrophobicContact CE1-CE2 4.48Å; Y90-F94 HydrophobicContact CE1-CG 4.25Å; Y90-F94 AromaticContact CE2-CD2 3.32Å; Y90-F94 HydrophobicContact CE2-CD2 3.32Å; Y90-F94 HydrophobicContact CE2-CE1 4.33Å; Y90-F94 AromaticContact CE2-CE2 2.99Å; Y90-F94 HydrophobicContact CE2-CE2 2.99Å; Y90-F94 HydrophobicContact CE2-CG 4.14Å; Y90-F94 AromaticContact CE2-CZ 3.56Å; Y90-F94 HydrophobicContact CE2-CZ 3.56Å; Y90-F94 HydrophobicContact CG-CD2 4.06Å; Y90-F94 HydrophobicContact CG-CE2 4.41Å; Y90-F94 AromaticContact CZ-CD2 3.56Å; Y90-F94 AromaticContact CZ-CE2 3.56Å; Y90-F94 AromaticContact CZ-CG 3.91Å; Y90-F94 AromaticContact CZ-CZ 3.87Å; Y90-F94 WeakPolarHBondContact O-CB 3.43Å; Y90-F94 WeakPolarHBondContact O-CD2 3.41Å; Y90-F94 PolarHBondContact O-N 3.5Å; F94-F97 HydrophobicContact CD1-CD1 4.2Å; F94-F97 HydrophobicContact CE1-CD1 4.32Å; F94-F97 PolarHBondContact O-N 3.16Å; F94-L98 HydrophobicContact CD1-CD1 4.4Å; F94-L98 VanDerWaalsContact O-CB 3.31Å; F94-L98 WeakPolarHBondContact O-CB 3.26Å; F94-L98 VanDerWaalsContact O-CG 3.28Å; F94-L98 WeakPolarHBondContact O-CG 3.48Å; F94-L98 PolarHBondContact O-N 2.96Å
95N92.5Very high92.6Very high29 Ų2929.6 Ų29.616%0.15513%0.134CC..Hα-helixtrans-61.8-52.9172.4-173.2-2000110.9L67 W91 L92 S93 F97 L98 C99 Y463L67-N95 HydrophobicContact CD1-CB 4.12Å; L67-N95 HydrophobicContact CD2-CB 4.12Å; W91-N95 WeakPolarHBondContact O-CB 3.48Å; W91-N95 PolarHBondContact O-N 2.89Å; L92-N95 WeakPolarHBondContact O-CB 3.18Å; L92-N95 PolarHBondContact O-N 3.31Å; S93-N95 PolarHBondContact O-N 2.98Å; N95-F97 VanDerWaalsContact C-N 3.31Å; N95-F97 PolarHBondContact O-N 2.98Å; N95-L98 PolarHBondContact O-N 2.88Å; N95-C99 WeakPolarHBondContact O-CB 3.4Å; N95-C99 PolarHBondContact O-N 3.48Å; N95-C99 PolarHBondContact O-SG 3.48Å; N95-Y463 PolarHBondContact ND2-OH 3.23Å; N95-Y463 VanDerWaalsContact ND2-OH 3.11Å
96V91.5Very high93.1Very high16 Ų1625.7 Ų25.710%0.09712%0.116CC..Hα-helixtrans-60.1-42176.7178.90000111.2L92 S93 C99 T100 T147 I175L92-V96 PolarHBondContact O-N 3.43Å; S93-V96 PolarHBondContact O-N 2.82Å; V96-C99 PolarHBondContact O-SG 3.42Å; V96-T100 WeakPolarHBondContact O-CB 3.46Å; V96-T100 PolarHBondContact O-N 3.06Å; V96-T100 PolarHBondContact O-OG1 2.94Å; V96-T147 HydrophobicContact CB-CG2 4.37Å; V96-I175 HydrophobicContact CG1-CG2 4.38Å
97F94.5Very high93.5Very high29 Ų2917.2 Ų17.213%0.1278%0.084CC..Hα-helixtrans-62.4-51.4179.3173.3-121.7000112.8S93 F94 N95 T100 A101 W140 L144 T147S93-F97 WeakPolarHBondContact O-CB 3.26Å; S93-F97 PolarHBondContact O-N 3.12Å; F94-F97 HydrophobicContact CD1-CD1 4.2Å; F94-F97 HydrophobicContact CE1-CD1 4.32Å; F94-F97 PolarHBondContact O-N 3.16Å; N95-F97 VanDerWaalsContact C-N 3.31Å; N95-F97 PolarHBondContact O-N 2.98Å; F97-T100 PolarHBondContact O-N 2.88Å; F97-A101 WeakPolarHBondContact O-CB 3.47Å; F97-A101 PolarHBondContact O-N 3.22Å; F97-W140 HydrophobicContact CE1-CE3 4.14Å; F97-W140 AromaticContact CE1-CZ3 3.89Å; F97-W140 HydrophobicContact CE1-CZ3 3.89Å; F97-W140 HydrophobicContact CE2-CE3 4.15Å; F97-W140 AromaticContact CZ-CE3 3.51Å; F97-W140 HydrophobicContact CZ-CE3 3.51Å; F97-W140 AromaticContact CZ-CZ3 3.77Å; F97-W140 HydrophobicContact CZ-CZ3 3.77Å; F97-L144 HydrophobicContact CD2-CB 4.28Å; F97-L144 HydrophobicContact CE2-CB 3.87Å; F97-L144 HydrophobicContact CE2-CD1 4.42Å; F97-T147 VanDerWaalsContact CA-OG1 3.23Å; F97-T147 WeakPolarHBondContact CA-OG1 3.42Å; F97-T147 HydrophobicContact CB-CG2 4.04Å; F97-T147 PolarHBondContact N-OG1 2.91Å
98L96.2Very high93.7Very high0 Ų015.5 Ų15.50%08%0.077CC..Hα-helixtrans-74.6-32.9-174.1-67.9174.4000112.4L62 V63 L67 F94 N95 A101 S102 W140L62-L98 HydrophobicContact CB-CD1 3.86Å; L62-L98 HydrophobicContact CB-CD2 3.7Å; L62-L98 HydrophobicContact CB-CG 4.46Å; L62-L98 HydrophobicContact CD1-CD2 3.91Å; L62-L98 HydrophobicContact CG-CD2 4.48Å; V63-L98 HydrophobicContact CG2-CB 3.96Å; V63-L98 HydrophobicContact CG2-CD1 4.16Å; L67-L98 HydrophobicContact CD1-CB 4.4Å; L67-L98 HydrophobicContact CD1-CD1 3.98Å; L67-L98 HydrophobicContact CG-CD1 4.07Å; F94-L98 HydrophobicContact CD1-CD1 4.4Å; F94-L98 VanDerWaalsContact O-CB 3.31Å; F94-L98 WeakPolarHBondContact O-CB 3.26Å; F94-L98 VanDerWaalsContact O-CG 3.28Å; F94-L98 WeakPolarHBondContact O-CG 3.48Å; F94-L98 PolarHBondContact O-N 2.96Å; N95-L98 PolarHBondContact O-N 2.88Å; L98-A101 PolarHBondContact O-N 3.43Å; L98-S102 WeakPolarHBondContact O-CB 3.2Å; L98-S102 PolarHBondContact O-N 3.38Å; L98-S102 PolarHBondContact O-OG 3.44Å; L98-W140 HydrophobicContact CD2-CH2 4.47Å; L98-W140 HydrophobicContact CD2-CZ3 4.2Å
99C95.1Very high94Very high8 Ų815.8 Ų15.85%0.0548%0.078CC..Hα-helixtrans-68.5-41.2172.675.90000111.1N95 V96 S102 I103 W433N95-C99 WeakPolarHBondContact O-CB 3.4Å; N95-C99 PolarHBondContact O-N 3.48Å; N95-C99 PolarHBondContact O-SG 3.48Å; V96-C99 PolarHBondContact O-SG 3.42Å; C99-S102 PolarHBondContact O-N 2.99Å; C99-I103 PolarHBondContact O-N 3.37Å; C99-W433 HydrophobicContact CB-CH2 3.35Å; C99-W433 HydrophobicContact CB-CZ2 3.7Å; C99-W433 HydrophobicContact CB-CZ3 3.98Å
100T95.3Very high94.3Very high3 Ų315.1 Ų15.12%0.0187%0.074CC..Hα-helixtrans-63.8-42.1174.2-54.60000111V96 F97 S102 I103 L104 V146 T179V96-T100 WeakPolarHBondContact O-CB 3.46Å; V96-T100 PolarHBondContact O-N 3.06Å; V96-T100 PolarHBondContact O-OG1 2.94Å; F97-T100 PolarHBondContact O-N 2.88Å; T100-S102 VanDerWaalsContact C-N 3.32Å; T100-S102 PolarHBondContact O-N 3.31Å; T100-I103 WeakPolarHBondContact O-CG2 3.33Å; T100-I103 PolarHBondContact O-N 2.91Å; T100-L104 HydrophobicContact CG2-CD1 3.8Å; T100-L104 HydrophobicContact CG2-CG 4.17Å; T100-L104 VanDerWaalsContact O-CB 3.29Å; T100-L104 WeakPolarHBondContact O-CB 3.5Å; T100-L104 VanDerWaalsContact O-CG 3.27Å; T100-L104 WeakPolarHBondContact O-CG 3.37Å; T100-L104 PolarHBondContact O-N 3.08Å; T100-V146 HydrophobicContact CG2-CB 4.28Å; T100-V146 HydrophobicContact CG2-CG1 4.36Å; T100-V146 HydrophobicContact CG2-CG2 4.42Å; T100-T179 VanDerWaalsContact OG1-CG2 3.23Å; T100-T179 WeakPolarHBondContact OG1-CG2 3.39Å; T100-T179 PolarHBondContact OG1-OG1 3.4Å
101A97.3Very high94.6Very high0 Ų014.4 Ų14.40%08%0.078CC..Hα-helixtrans-60.6-42.7174.700000111.5A59 F97 L98 N105 W140 S143A59-A101 HydrophobicContact CB-CB 4.35Å; F97-A101 WeakPolarHBondContact O-CB 3.47Å; F97-A101 PolarHBondContact O-N 3.22Å; L98-A101 PolarHBondContact O-N 3.43Å; A101-N105 WeakPolarHBondContact O-CB 3.01Å; A101-N105 PolarHBondContact O-N 3.11Å; A101-N105 PolarHBondContact O-ND2 3.31Å; A101-W140 HydrophobicContact CB-CE3 4.03Å; A101-W140 HydrophobicContact CB-CH2 4.28Å; A101-W140 HydrophobicContact CB-CZ3 3.89Å; A101-S143 WeakPolarHBondContact CA-OG 3.29Å; A101-S143 PolarHBondContact N-OG 2.87Å
102S96.9Very high94.6Very high3 Ų314.3 Ų14.32%0.0218%0.078CC..Hα-helixtrans-63.6-49.9179.8-60.40000111.9L98 C99 T100 L104 N105 I106L98-S102 WeakPolarHBondContact O-CB 3.2Å; L98-S102 PolarHBondContact O-N 3.38Å; L98-S102 PolarHBondContact O-OG 3.44Å; C99-S102 PolarHBondContact O-N 2.99Å; T100-S102 VanDerWaalsContact C-N 3.32Å; T100-S102 PolarHBondContact O-N 3.31Å; S102-L104 PolarHBondContact O-N 3.17Å; S102-N105 WeakPolarHBondContact O-CB 3.34Å; S102-N105 PolarHBondContact O-N 3.35Å; S102-I106 WeakPolarHBondContact O-CG1 3.26Å; S102-I106 PolarHBondContact O-N 3.09Å
103I96.1Very high94.8Very high2 Ų214.3 Ų14.31%0.018%0.077CC..Hα-helixtrans-69.1-35.9-178.3-158170.4000112.6C99 T100 I106 C107 T179 F180 P183 F184 F429C99-I103 PolarHBondContact O-N 3.37Å; T100-I103 WeakPolarHBondContact O-CG2 3.33Å; T100-I103 PolarHBondContact O-N 2.91Å; I103-I106 WeakPolarHBondContact O-CB 3.46Å; I103-I106 PolarHBondContact O-N 3.46Å; I103-C107 PolarHBondContact O-N 2.95Å; I103-C107 PolarHBondContact O-SG 2.99Å; I103-T179 WeakPolarHBondContact CD1-O 3.34Å; I103-T179 WeakPolarHBondContact CG2-O 3.43Å; I103-F180 HydrophobicContact CD1-CD1 4.43Å; I103-P183 HydrophobicContact CD1-CB 3.45Å; I103-P183 VanDerWaalsContact CD1-CB 3.45Å; I103-P183 HydrophobicContact CD1-CG 4.17Å; I103-P183 HydrophobicContact CG1-CB 3.63Å; I103-P183 HydrophobicContact CG1-CG 4.49Å; I103-P183 HydrophobicContact CG2-CB 4.27Å; I103-P183 HydrophobicContact CG2-CG 4.27Å; I103-F184 HydrophobicContact CD1-CD1 3.81Å; I103-F184 HydrophobicContact CD1-CE1 3.76Å; I103-F429 HydrophobicContact CB-CE1 3.85Å; I103-F429 HydrophobicContact CB-CE2 4.29Å; I103-F429 HydrophobicContact CB-CZ 3.55Å; I103-F429 HydrophobicContact CD1-CD1 4.32Å; I103-F429 HydrophobicContact CD1-CE1 3.42Å; I103-F429 VanDerWaalsContact CD1-CE1 3.42Å; I103-F429 HydrophobicContact CD1-CZ 3.95Å; I103-F429 HydrophobicContact CG1-CD1 4.21Å; I103-F429 HydrophobicContact CG1-CE1 3.5Å; I103-F429 VanDerWaalsContact CG1-CE1 3.5Å; I103-F429 HydrophobicContact CG1-CZ 3.79Å
104L96.6Very high94.9Very high39 Ų3917.6 Ų17.620%0.2049%0.09CC..Hα-helixtrans-71.9-33.1175.7-69.5-175.9000112.2T100 S102 I106 C107 C108 V139 S142T100-L104 HydrophobicContact CG2-CD1 3.8Å; T100-L104 HydrophobicContact CG2-CG 4.17Å; T100-L104 VanDerWaalsContact O-CB 3.29Å; T100-L104 WeakPolarHBondContact O-CB 3.5Å; T100-L104 VanDerWaalsContact O-CG 3.27Å; T100-L104 WeakPolarHBondContact O-CG 3.37Å; T100-L104 PolarHBondContact O-N 3.08Å; S102-L104 PolarHBondContact O-N 3.17Å; L104-I106 VanDerWaalsContact C-N 3.33Å; L104-C107 WeakPolarHBondContact O-CB 3.49Å; L104-C107 PolarHBondContact O-N 3.09Å; L104-C108 WeakPolarHBondContact O-CB 2.89Å; L104-C108 PolarHBondContact O-N 3.38Å; L104-V139 HydrophobicContact CB-CB 4.45Å; L104-V139 HydrophobicContact CB-CG1 3.72Å; L104-V139 HydrophobicContact CB-CG2 4.29Å; L104-S142 VanDerWaalsContact CD1-OG 3.32Å; L104-S142 WeakPolarHBondContact CD1-OG 3.41Å
105N97.7Very high94.9Very high0 Ų018.4 Ų18.40%010%0.096CC..Hα-helixtrans-61-43.7167.7-86.9-70.3000110.7S55 L56 A101 S102 C107 C108 I109 V139S55-N105 VanDerWaalsContact CB-OD1 3.24Å; S55-N105 WeakPolarHBondContact CB-OD1 3.17Å; S55-N105 PolarHBondContact OG-OD1 2.95Å; L56-N105 HydrophobicContact CB-CB 4.19Å; L56-N105 HydrophobicContact CD1-CB 4Å; A101-N105 WeakPolarHBondContact O-CB 3.01Å; A101-N105 PolarHBondContact O-N 3.11Å; A101-N105 PolarHBondContact O-ND2 3.31Å; S102-N105 WeakPolarHBondContact O-CB 3.34Å; S102-N105 PolarHBondContact O-N 3.35Å; N105-C107 PolarHBondContact O-N 3.23Å; N105-C108 WeakPolarHBondContact O-CB 3.28Å; N105-C108 PolarHBondContact O-N 2.91Å; N105-I109 VanDerWaalsContact O-CG1 3.26Å; N105-I109 WeakPolarHBondContact O-CG1 3.49Å; N105-I109 PolarHBondContact O-N 3.4Å; N105-V139 HydrophobicContact CB-CG1 4.49Å
106I96.3Very high94.7Very high4 Ų417.3 Ų17.32%0.0219%0.091CC..Hα-helixtrans-62-43.6175.3-69.8171000111.3L56 S102 I103 L104 C108 I109 S110 V187 V425 V426 F429L56-I106 HydrophobicContact CD1-CG1 4.31Å; L56-I106 HydrophobicContact CD2-CG1 4.2Å; S102-I106 WeakPolarHBondContact O-CG1 3.26Å; S102-I106 PolarHBondContact O-N 3.09Å; I103-I106 WeakPolarHBondContact O-CB 3.46Å; I103-I106 PolarHBondContact O-N 3.46Å; L104-I106 VanDerWaalsContact C-N 3.33Å; I106-C108 VanDerWaalsContact C-N 3.31Å; I106-C108 PolarHBondContact O-N 3.49Å; I106-I109 PolarHBondContact O-N 3.06Å; I106-S110 WeakPolarHBondContact O-CB 3.47Å; I106-S110 PolarHBondContact O-N 3.01Å; I106-S110 PolarHBondContact O-OG 3.28Å; I106-V187 HydrophobicContact CG2-CG1 4.15Å; I106-V187 HydrophobicContact CG2-CG2 4.19Å; I106-V425 HydrophobicContact CD1-CG1 4.41Å; I106-V425 HydrophobicContact CG1-CG1 4.47Å; I106-V426 HydrophobicContact CG2-CB 4.47Å; I106-V426 HydrophobicContact CG2-CG2 3.47Å; I106-V426 VanDerWaalsContact CG2-CG2 3.47Å; I106-F429 HydrophobicContact CD1-CB 3.57Å; I106-F429 HydrophobicContact CD1-CD1 4.21Å; I106-F429 HydrophobicContact CD1-CD2 3.26Å; I106-F429 HydrophobicContact CD1-CE2 4.04Å; I106-F429 HydrophobicContact CD1-CG 3.39Å
107C96.5Very high94.6Very high9 Ų917 Ų176%0.0619%0.088CC..Hα-helixtrans-56.6-46.7173.7-67.50000111.2I103 L104 N105 S110 V111 L186 V187I103-C107 PolarHBondContact O-N 2.95Å; I103-C107 PolarHBondContact O-SG 2.99Å; L104-C107 WeakPolarHBondContact O-CB 3.49Å; L104-C107 PolarHBondContact O-N 3.09Å; N105-C107 PolarHBondContact O-N 3.23Å; C107-S110 WeakPolarHBondContact O-CB 3.25Å; C107-S110 PolarHBondContact O-N 3.27Å; C107-V111 WeakPolarHBondContact O-CG2 3.31Å; C107-V111 PolarHBondContact O-N 2.95Å; C107-L186 HydrophobicContact CB-CD2 4.36Å; C107-V187 HydrophobicContact CB-CG2 4.28Å; C107-V187 WeakPolarHBondContact SG-CG2 3.46Å
108C95.8Very high94.3Very high16 Ų1617.3 Ų17.311%0.1089%0.091CC..Hα-helixtrans-60.5-49.3179.1-169.40000111.8Y52 L104 N105 I106 S110 V111 D112 V139Y52-C108 WeakPolarHBondContact CE1-SG 3.38Å; L104-C108 WeakPolarHBondContact O-CB 2.89Å; L104-C108 PolarHBondContact O-N 3.38Å; N105-C108 WeakPolarHBondContact O-CB 3.28Å; N105-C108 PolarHBondContact O-N 2.91Å; I106-C108 VanDerWaalsContact C-N 3.31Å; I106-C108 PolarHBondContact O-N 3.49Å; C108-S110 VanDerWaalsContact C-N 3.27Å; C108-S110 PolarHBondContact O-N 3.22Å; C108-V111 PolarHBondContact O-N 2.94Å; C108-D112 WeakPolarHBondContact O-CB 3.32Å; C108-D112 PolarHBondContact O-N 3.15Å; C108-V139 HydrophobicContact CB-CG2 4.06Å
109I95.2Very high93.7Very high7 Ų721.5 Ų21.54%0.03611%0.111CC..Hα-helixtrans-59.2-42176.2-59.8161.3000109.9Y52 L56 N105 I106 D112 R113 V422Y52-I109 HydrophobicContact CG-CG1 4.34Å; L56-I109 HydrophobicContact CD2-CD1 4.1Å; N105-I109 VanDerWaalsContact O-CG1 3.26Å; N105-I109 WeakPolarHBondContact O-CG1 3.49Å; N105-I109 PolarHBondContact O-N 3.4Å; I106-I109 PolarHBondContact O-N 3.06Å; I109-D112 WeakPolarHBondContact O-CB 3.31Å; I109-D112 PolarHBondContact O-N 2.92Å; I109-R113 HydrophobicContact CG2-CG 4.23Å; I109-R113 VanDerWaalsContact O-CG 3.28Å; I109-R113 WeakPolarHBondContact O-CG 3.03Å; I109-R113 PolarHBondContact O-N 2.94Å; I109-V422 HydrophobicContact CB-CG1 4.29Å; I109-V422 HydrophobicContact CG2-CB 4.36Å; I109-V422 HydrophobicContact CG2-CG1 3.41Å; I109-V422 VanDerWaalsContact CG2-CG1 3.41Å; I109-V422 HydrophobicContact CG2-CG2 3.95Å
110S95.2Very high93.2Very high0 Ų023.5 Ų23.50%012%0.123CC..Hα-helixtrans-62.8-46-179.2-54.80000112.3I106 C107 C108 R113 Y114 Y191I106-S110 WeakPolarHBondContact O-CB 3.47Å; I106-S110 PolarHBondContact O-N 3.01Å; I106-S110 PolarHBondContact O-OG 3.28Å; C107-S110 WeakPolarHBondContact O-CB 3.25Å; C107-S110 PolarHBondContact O-N 3.27Å; C108-S110 VanDerWaalsContact C-N 3.27Å; C108-S110 PolarHBondContact O-N 3.22Å; S110-R113 PolarHBondContact O-N 3.43Å; S110-Y114 WeakPolarHBondContact O-CB 3.39Å; S110-Y114 PolarHBondContact O-N 3.44Å; S110-Y191 WeakPolarHBondContact OG-CE2 3.33Å
111V93.9Very high92.5Very high63 Ų6328.4 Ų28.438%0.38215%0.148SC..Hα-helixtrans-63.7-41.9175.51710000111.2C107 C108 Y114 N115 I190C107-V111 WeakPolarHBondContact O-CG2 3.31Å; C107-V111 PolarHBondContact O-N 2.95Å; C108-V111 PolarHBondContact O-N 2.94Å; V111-Y114 WeakPolarHBondContact O-CB 3.38Å; V111-Y114 PolarHBondContact O-N 3.34Å; V111-N115 WeakPolarHBondContact O-CB 3.33Å; V111-N115 PolarHBondContact O-N 3.32Å; V111-N115 PolarHBondContact O-ND2 3.36Å; V111-N115 VanDerWaalsContact O-ND2 3.15Å; V111-I190 HydrophobicContact CG2-CD1 3.65Å
112D93Very high91.9Very high8 Ų835 Ų354%0.04318%0.177CC..Hα-helixtrans-59.9-48.3174.9161.468000111.5Y52 C108 I109 Y114 N115 A116 Y123 H127Y52-D112 HydrophobicContact CE2-CB 4.08Å; C108-D112 WeakPolarHBondContact O-CB 3.32Å; C108-D112 PolarHBondContact O-N 3.15Å; I109-D112 WeakPolarHBondContact O-CB 3.31Å; I109-D112 PolarHBondContact O-N 2.92Å; D112-Y114 VanDerWaalsContact C-N 3.34Å; D112-Y114 PolarHBondContact O-N 3.07Å; D112-N115 PolarHBondContact O-N 2.99Å; D112-A116 WeakPolarHBondContact O-CB 3.49Å; D112-A116 PolarHBondContact O-N 3.44Å; D112-Y123 WeakPolarHBondContact OD1-CE2 3.31Å; D112-Y123 PolarHBondContact OD1-OH 3.39Å; D112-H127 IonicContact OD1-CD2 2.84Å; D112-H127 IonicContact OD1-CE1 2.84Å; D112-H127 IonicContact OD1-NE2 3.98Å; D112-H127 PolarHBondContact OD1-NE2 3.32Å
113R92.8Very high91.4Very high15 Ų1536.4 Ų36.46%0.05718%0.182CC..Hα-helixtrans-60.5-42.7174.7-66.7-5482.5-161.8-4.5111.8N49 I109 S110 A116 I117 Y123 I194 V422N49-R113 PolarHBondContact ND2-NH1 3.3Å; N49-R113 PolarHBondContact ND2-NH2 3.32Å; N49-R113 PolarHBondContact OD1-NH2 2.76Å; I109-R113 HydrophobicContact CG2-CG 4.23Å; I109-R113 VanDerWaalsContact O-CG 3.28Å; I109-R113 WeakPolarHBondContact O-CG 3.03Å; I109-R113 PolarHBondContact O-N 2.94Å; S110-R113 PolarHBondContact O-N 3.43Å; R113-A116 PolarHBondContact O-N 2.84Å; R113-I117 WeakPolarHBondContact O-CD1 3.1Å; R113-I117 VanDerWaalsContact O-CG1 3.22Å; R113-I117 WeakPolarHBondContact O-CG1 3.46Å; R113-I117 PolarHBondContact O-N 2.9Å; R113-Y123 PolarHBondContact NH2-OH 3.48Å; R113-I194 HydrophobicContact CB-CD1 4.18Å; R113-V422 HydrophobicContact CG-CB 4.46Å; R113-V422 HydrophobicContact CG-CG2 4.14Å
114Y92.8Very high90.8Very high71 Ų7141.8 Ų41.828%0.27822%0.215SC..Hα-helixtrans-58.9-49.6176.6-178.8-101.6000111.6S110 V111 D112 A116 I117 I118 I190 R193 I194S110-Y114 WeakPolarHBondContact O-CB 3.39Å; S110-Y114 PolarHBondContact O-N 3.44Å; V111-Y114 WeakPolarHBondContact O-CB 3.38Å; V111-Y114 PolarHBondContact O-N 3.34Å; D112-Y114 VanDerWaalsContact C-N 3.34Å; D112-Y114 PolarHBondContact O-N 3.07Å; Y114-A116 VanDerWaalsContact C-N 3.35Å; Y114-A116 PolarHBondContact O-N 3.02Å; Y114-I117 PolarHBondContact O-N 3.11Å; Y114-I118 HydrophobicContact CD1-CG1 4.24Å; Y114-I118 HydrophobicContact CD2-CD1 4.48Å; Y114-I118 HydrophobicContact CD2-CG1 3.87Å; Y114-I118 HydrophobicContact CE1-CG1 3.98Å; Y114-I118 HydrophobicContact CE2-CD1 3.9Å; Y114-I118 HydrophobicContact CE2-CG1 3.57Å; Y114-I118 HydrophobicContact CG-CG1 4.2Å; Y114-I118 WeakPolarHBondContact O-CB 3.23Å; Y114-I118 VanDerWaalsContact O-CG1 3.25Å; Y114-I118 WeakPolarHBondContact O-CG1 3.27Å; Y114-I118 PolarHBondContact O-N 3.35Å; Y114-I190 HydrophobicContact CD2-CG2 4.37Å; Y114-I190 HydrophobicContact CG-CG2 4.4Å; Y114-R193 HydrophobicContact CD2-CB 4.45Å; Y114-R193 HydrophobicContact CE2-CB 3.86Å; Y114-I194 HydrophobicContact CD2-CG1 3.93Å
115N91.4Very high90.2Very high65 Ų6548 Ų4835%0.34824%0.24SC..Hα-helixtrans-63.1-39.8179.4-74.5-37.6000112.6V111 D112 I117 H119 Y123V111-N115 WeakPolarHBondContact O-CB 3.33Å; V111-N115 PolarHBondContact O-N 3.32Å; V111-N115 PolarHBondContact O-ND2 3.36Å; V111-N115 VanDerWaalsContact O-ND2 3.15Å; D112-N115 PolarHBondContact O-N 2.99Å; N115-I117 VanDerWaalsContact C-N 3.33Å; N115-I117 PolarHBondContact O-N 2.88Å; N115-H119 CarbonylContact O-C 3.38Å; N115-H119 PolarHBondContact O-N 2.96Å; N115-Y123 HydrophobicContact CB-CD2 4.08Å
116A89.3Confident89.5Confident6 Ų655.7 Ų55.75%0.0527%0.274CS..Hα-helixtrans-60.4-42.9175.800000111.9D112 R113 Y114 Y123D112-A116 WeakPolarHBondContact O-CB 3.49Å; D112-A116 PolarHBondContact O-N 3.44Å; R113-A116 PolarHBondContact O-N 2.84Å; Y114-A116 VanDerWaalsContact C-N 3.35Å; Y114-A116 PolarHBondContact O-N 3.02Å; A116-Y123 HydrophobicContact CB-CD1 3.87Å; A116-Y123 HydrophobicContact CB-CD2 4.06Å; A116-Y123 HydrophobicContact CB-CE1 3.69Å; A116-Y123 HydrophobicContact CB-CE2 3.89Å; A116-Y123 HydrophobicContact CB-CG 4.04Å
117I88.3Confident89Confident8 Ų857.2 Ų57.24%0.04128%0.281CS..Hα-helixtrans-74.1-51.1-178.7-63.6164.7000110.4R113 Y114 N115 I194 V197 I198 R201 V419R113-I117 WeakPolarHBondContact O-CD1 3.1Å; R113-I117 VanDerWaalsContact O-CG1 3.22Å; R113-I117 WeakPolarHBondContact O-CG1 3.46Å; R113-I117 PolarHBondContact O-N 2.9Å; Y114-I117 PolarHBondContact O-N 3.11Å; N115-I117 VanDerWaalsContact C-N 3.33Å; N115-I117 PolarHBondContact O-N 2.88Å; I117-I194 HydrophobicContact CD1-CB 4.29Å; I117-I194 HydrophobicContact CD1-CD1 4.23Å; I117-I194 HydrophobicContact CD1-CG1 4.03Å; I117-I194 HydrophobicContact CD1-CG2 3.45Å; I117-I194 VanDerWaalsContact CD1-CG2 3.45Å; I117-V197 HydrophobicContact CG2-CB 4.42Å; I117-V197 HydrophobicContact CG2-CG1 3.72Å; I117-I198 HydrophobicContact CD1-CD1 4.22Å; I117-R201 PolarHBondContact O-NH1 2.66Å; I117-R201 PolarHBondContact O-NH2 3.3Å; I117-V419 HydrophobicContact CD1-CG1 4.38Å; I117-V419 HydrophobicContact CD1-CG2 3.48Å; I117-V419 VanDerWaalsContact CD1-CG2 3.48Å; I117-V419 HydrophobicContact CG1-CG2 4.2Å
118I87.7Confident88.7Confident36 Ų3659.7 Ų59.719%0.18530%0.296CS..Hα-helixtrans-73.5-40.2-171-58.7-71.3000111.7Y114 P120 V197Y114-I118 HydrophobicContact CD1-CG1 4.24Å; Y114-I118 HydrophobicContact CD2-CD1 4.48Å; Y114-I118 HydrophobicContact CD2-CG1 3.87Å; Y114-I118 HydrophobicContact CE1-CG1 3.98Å; Y114-I118 HydrophobicContact CE2-CD1 3.9Å; Y114-I118 HydrophobicContact CE2-CG1 3.57Å; Y114-I118 HydrophobicContact CG-CG1 4.2Å; Y114-I118 WeakPolarHBondContact O-CB 3.23Å; Y114-I118 VanDerWaalsContact O-CG1 3.25Å; Y114-I118 WeakPolarHBondContact O-CG1 3.27Å; Y114-I118 PolarHBondContact O-N 3.35Å; I118-P120 WeakPolarHBondContact O-CD 3.36Å; I118-V197 HydrophobicContact CD1-CB 4.07Å; I118-V197 HydrophobicContact CD1-CG1 3.9Å; I118-V197 HydrophobicContact CD1-CG2 3.38Å
119H85.3Confident88.5Confident89 Ų8963.1 Ų63.141%0.41231%0.31SS..  trans-128.861.6-171.8-62.1-47.8000112.9N115 I121 K122 Y123N115-H119 CarbonylContact O-C 3.38Å; N115-H119 PolarHBondContact O-N 2.96Å; H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 2.95Å; H119-I121 VanDerWaalsContact O-N 3.16Å; H119-K122 HydrophobicContact CB-CB 4.2Å; H119-K122 PolarHBondContact O-N 3.16Å; H119-K122 VanDerWaalsContact O-N 3.12Å; H119-Y123 VanDerWaalsContact O-CB 3.24Å; H119-Y123 WeakPolarHBondContact O-CB 3.38Å; H119-Y123 PolarHBondContact O-N 2.98Å
120P83.4Confident88.3Confident49 Ų4972.6 Ų72.632%0.31835%0.345SS..Hα-helixtrans-57.3-40.9-169.521.9-34.1000113.5I118 Y123 V124I118-P120 WeakPolarHBondContact O-CD 3.36Å; P120-Y123 PolarHBondContact O-N 3.29Å; P120-V124 WeakPolarHBondContact O-CG2 3.46Å; P120-V124 PolarHBondContact O-N 3.35Å
121I81.8Confident88.2Confident106 Ų10675.2 Ų75.254%0.54436%0.361SS..Hα-helixtrans-70.3-41.3-178.5-58.6172.7000111.6H119 K125H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 2.95Å; H119-I121 VanDerWaalsContact O-N 3.16Å; I121-K125 WeakPolarHBondContact O-CG 3.48Å; I121-K125 PolarHBondContact O-N 3.04Å
122K84.6Confident88.1Confident138 Ų13872.2 Ų72.260%0.634%0.343SS*.Hα-helixtrans-70.5-38.9177.4-67.1-177.8179.1177.10110.4H119 K125 K126H119-K122 HydrophobicContact CB-CB 4.2Å; H119-K122 PolarHBondContact O-N 3.16Å; H119-K122 VanDerWaalsContact O-N 3.12Å; K122-K125 PolarHBondContact O-N 3.03Å; K122-K126 WeakPolarHBondContact O-CB 3.32Å; K122-K126 PolarHBondContact O-N 3.33Å
123Y86.2Confident88.2Confident33 Ų3375.9 Ų75.913%0.12936%0.362CS..Hα-helixtrans-57.6-56.2176.9177.8-101000110.8N49 D112 R113 N115 A116 H119 P120 K125 K126 H127N49-Y123 PolarHBondContact OD1-OH 3.4Å; D112-Y123 WeakPolarHBondContact OD1-CE2 3.31Å; D112-Y123 PolarHBondContact OD1-OH 3.39Å; R113-Y123 PolarHBondContact NH2-OH 3.48Å; N115-Y123 HydrophobicContact CB-CD2 4.08Å; A116-Y123 HydrophobicContact CB-CD1 3.87Å; A116-Y123 HydrophobicContact CB-CD2 4.06Å; A116-Y123 HydrophobicContact CB-CE1 3.69Å; A116-Y123 HydrophobicContact CB-CE2 3.89Å; A116-Y123 HydrophobicContact CB-CG 4.04Å; H119-Y123 VanDerWaalsContact O-CB 3.24Å; H119-Y123 WeakPolarHBondContact O-CB 3.38Å; H119-Y123 PolarHBondContact O-N 2.98Å; P120-Y123 PolarHBondContact O-N 3.29Å; Y123-K125 PolarHBondContact O-N 2.91Å; Y123-K125 VanDerWaalsContact O-N 3.11Å; Y123-K126 PolarHBondContact O-N 3.45Å; Y123-H127 HydrophobicContact CD1-CB 4.29Å; Y123-H127 HydrophobicContact CD2-CB 4Å; Y123-H127 HydrophobicContact CE1-CB 4.14Å; Y123-H127 AromaticContact CE1-CG 3.99Å; Y123-H127 AromaticContact CE1-ND1 3.89Å; Y123-H127 HydrophobicContact CE2-CB 3.84Å; Y123-H127 AromaticContact CE2-CD2 3.46Å; Y123-H127 VanDerWaalsContact CE2-CD2 3.46Å; Y123-H127 WeakPolarHBondContact CE2-CD2 3.24Å; Y123-H127 AromaticContact CE2-CG 3.49Å; Y123-H127 VanDerWaalsContact CE2-CG 3.49Å; Y123-H127 AromaticContact CE2-ND1 3.98Å; Y123-H127 AromaticContact CE2-NE2 3.97Å; Y123-H127 HydrophobicContact CG-CB 4.23Å; Y123-H127 AromaticContact CZ-CD2 3.69Å; Y123-H127 AromaticContact CZ-CE1 3.65Å; Y123-H127 AromaticContact CZ-CG 3.4Å; Y123-H127 AromaticContact CZ-ND1 3.4Å; Y123-H127 AromaticContact CZ-NE2 3.89Å; Y123-H127 WeakPolarHBondContact O-CA 3.04Å; Y123-H127 WeakPolarHBondContact O-CB 3.28Å; Y123-H127 PolarHBondContact O-N 3.18Å; Y123-H127 PolarHBondContact OH-CE1 2.94Å; Y123-H127 PolarHBondContact OH-ND1 3.37Å; Y123-H127 VanDerWaalsContact OH-ND1 3.16Å; Y123-H127 PolarHBondContact OH-NE2 3.17Å
124V83.9Confident88.4Confident115 Ų11580.7 Ų80.770%0.69739%0.388SS*.Hα-helixtrans-57.9-32.9-179.8173.60000112.7P120P120-V124 WeakPolarHBondContact O-CG2 3.46Å; P120-V124 PolarHBondContact O-N 3.35Å
125K83.3Confident88.5Confident169 Ų16981.5 Ų81.574%0.73540%0.397SS*.Hα-helixtrans-74.8-35.3177.5-72.1-175.1178.2-166.90114.1I121 K122 Y123I121-K125 WeakPolarHBondContact O-CG 3.48Å; I121-K125 PolarHBondContact O-N 3.04Å; K122-K125 PolarHBondContact O-N 3.03Å; Y123-K125 PolarHBondContact O-N 2.91Å; Y123-K125 VanDerWaalsContact O-N 3.11Å
126K82.3Confident88.8Confident162 Ų16279.4 Ų79.470%0.70439%0.385SS*.Hα-helixtrans-97.2-24.4-174.7-70.9-169.4172.9-166.20113.3K122 Y123 T128 T131K122-K126 WeakPolarHBondContact O-CB 3.32Å; K122-K126 PolarHBondContact O-N 3.33Å; Y123-K126 PolarHBondContact O-N 3.45Å; K126-T128 PolarHBondContact O-N 3.3Å; K126-T131 PolarHBondContact O-OG1 3.05Å
127H86Confident89.2Confident36 Ų3687.8 Ų87.817%0.16742%0.415CS..  trans-80.992.5-170.4-168.1-111.5000110.6V48 N49 Y52 D112 Y123V48-H127 WeakPolarHBondContact CB-CE1 3.26Å; V48-H127 WeakPolarHBondContact CG1-CE1 3.36Å; V48-H127 VanDerWaalsContact CG1-NE2 3.34Å; V48-H127 WeakPolarHBondContact CG1-NE2 3.41Å; N49-H127 PolarHBondContact OD1-CE1 2.93Å; Y52-H127 AromaticContact CE2-NE2 3.8Å; D112-H127 IonicContact OD1-CD2 2.84Å; D112-H127 IonicContact OD1-CE1 2.84Å; D112-H127 IonicContact OD1-NE2 3.98Å; D112-H127 PolarHBondContact OD1-NE2 3.32Å; Y123-H127 HydrophobicContact CD1-CB 4.29Å; Y123-H127 HydrophobicContact CD2-CB 4Å; Y123-H127 HydrophobicContact CE1-CB 4.14Å; Y123-H127 AromaticContact CE1-CG 3.99Å; Y123-H127 AromaticContact CE1-ND1 3.89Å; Y123-H127 HydrophobicContact CE2-CB 3.84Å; Y123-H127 AromaticContact CE2-CD2 3.46Å; Y123-H127 VanDerWaalsContact CE2-CD2 3.46Å; Y123-H127 WeakPolarHBondContact CE2-CD2 3.24Å; Y123-H127 AromaticContact CE2-CG 3.49Å; Y123-H127 VanDerWaalsContact CE2-CG 3.49Å; Y123-H127 AromaticContact CE2-ND1 3.98Å; Y123-H127 AromaticContact CE2-NE2 3.97Å; Y123-H127 HydrophobicContact CG-CB 4.23Å; Y123-H127 AromaticContact CZ-CD2 3.69Å; Y123-H127 AromaticContact CZ-CE1 3.65Å; Y123-H127 AromaticContact CZ-CG 3.4Å; Y123-H127 AromaticContact CZ-ND1 3.4Å; Y123-H127 AromaticContact CZ-NE2 3.89Å; Y123-H127 WeakPolarHBondContact O-CA 3.04Å; Y123-H127 WeakPolarHBondContact O-CB 3.28Å; Y123-H127 PolarHBondContact O-N 3.18Å; Y123-H127 PolarHBondContact OH-CE1 2.94Å; Y123-H127 PolarHBondContact OH-ND1 3.37Å; Y123-H127 VanDerWaalsContact OH-ND1 3.16Å; Y123-H127 PolarHBondContact OH-NE2 3.17Å
128T90.8Very high89.6Confident61 Ų6189 Ų8937%0.37443%0.431SS..  trans-116.5162.7-177.2680000111.1V48 K126 R130 T131 A132V48-T128 WeakPolarHBondContact CG1-O 3.43Å; K126-T128 PolarHBondContact O-N 3.3Å; T128-R130 VanDerWaalsContact C-N 3.27Å; T128-R130 PolarHBondContact O-N 3.22Å; T128-T131 PolarHBondContact N-OG1 3.11Å; T128-T131 PolarHBondContact O-N 3.03Å; T128-T131 PolarHBondContact O-OG1 3.18Å; T128-T131 WeakPolarHBondContact OG1-CG2 3.46Å; T128-T131 PolarHBondContact OG1-N 3.37Å; T128-T131 PolarHBondContact OG1-OG1 2.94Å; T128-A132 PolarHBondContact O-N 3.31Å; T128-A132 VanDerWaalsContact O-N 3.16Å
129H90.6Very high90.1Very high88 Ų8888 Ų8841%0.40743%0.426SS..Hα-helixtrans-57.6-40.5173.1-77.4-93000112.1R46 T131 A132 L133R46-H129 PolarHBondContact O-CE1 3.01Å; R46-H129 PolarHBondContact O-NE2 2.93Å; H129-T131 PolarHBondContact O-N 2.94Å; H129-A132 PolarHBondContact O-N 3.02Å; H129-L133 WeakPolarHBondContact O-CG 3.49Å; H129-L133 PolarHBondContact O-N 2.95Å
130R92Very high90.7Very high207 Ų20785.9 Ų85.978%0.78141%0.414SS*.Hα-helixtrans-61.2-46.9179.2-66.6-176.1-178.6177.8-0111.7T128 A132 L133 I134T128-R130 VanDerWaalsContact C-N 3.27Å; T128-R130 PolarHBondContact O-N 3.22Å; R130-A132 VanDerWaalsContact C-N 3.31Å; R130-A132 PolarHBondContact O-N 2.91Å; R130-L133 PolarHBondContact O-N 2.92Å; R130-I134 WeakPolarHBondContact O-CG1 3.45Å; R130-I134 PolarHBondContact O-N 3.18Å
131T92Very high91.3Very high54 Ų5488.5 Ų88.533%0.33142%0.424SS..Hα-helixtrans-62.7-38.4178.548.20000112.1K126 T128 H129 I134 L135K126-T131 PolarHBondContact O-OG1 3.05Å; T128-T131 PolarHBondContact N-OG1 3.11Å; T128-T131 PolarHBondContact O-N 3.03Å; T128-T131 PolarHBondContact O-OG1 3.18Å; T128-T131 WeakPolarHBondContact OG1-CG2 3.46Å; T128-T131 PolarHBondContact OG1-N 3.37Å; T128-T131 PolarHBondContact OG1-OG1 2.94Å; H129-T131 PolarHBondContact O-N 2.94Å; T131-I134 PolarHBondContact O-N 3Å; T131-L135 WeakPolarHBondContact O-CG 3.09Å; T131-L135 PolarHBondContact O-N 3.11Å; T131-L135 VanDerWaalsContact O-N 3.11Å
132A93.6Very high91.9Very high0 Ų085.5 Ų85.50%041%0.413CS..Hα-helixtrans-67.9-41.8176.700000112.8V48 L51 Y52 T128 H129 R130 I134 L135 I136V48-A132 HydrophobicContact CG1-CB 3.36Å; L51-A132 HydrophobicContact CD1-CB 4.2Å; Y52-A132 HydrophobicContact CE1-CB 3.98Å; Y52-A132 HydrophobicContact CE2-CB 4.21Å; Y52-A132 WeakPolarHBondContact OH-CA 3.35Å; Y52-A132 WeakPolarHBondContact OH-CB 3.43Å; T128-A132 PolarHBondContact O-N 3.31Å; T128-A132 VanDerWaalsContact O-N 3.16Å; H129-A132 PolarHBondContact O-N 3.02Å; R130-A132 VanDerWaalsContact C-N 3.31Å; R130-A132 PolarHBondContact O-N 2.91Å; A132-I134 VanDerWaalsContact C-N 3.32Å; A132-I134 PolarHBondContact O-N 3.42Å; A132-L135 PolarHBondContact O-N 3.3Å; A132-I136 WeakPolarHBondContact O-CB 3.36Å; A132-I136 VanDerWaalsContact O-CG1 3.32Å; A132-I136 WeakPolarHBondContact O-CG1 3.42Å; A132-I136 PolarHBondContact O-N 2.99Å
133L94.9Very high92.5Very high85 Ų8579 Ų7945%0.44538%0.384SS..Hα-helixtrans-63-37.9176.1-70.7172.4000112.3L51 H129 R130 R137L51-L133 HydrophobicContact CD1-CD2 4.43Å; L51-L133 HydrophobicContact CD1-CG 4.46Å; H129-L133 WeakPolarHBondContact O-CG 3.49Å; H129-L133 PolarHBondContact O-N 2.95Å; R130-L133 PolarHBondContact O-N 2.92Å; L133-R137 WeakPolarHBondContact O-CB 3.05Å; L133-R137 VanDerWaalsContact O-CG 3.29Å; L133-R137 WeakPolarHBondContact O-CG 3.34Å; L133-R137 PolarHBondContact O-N 3.26Å
134I95.8Very high92.8Very high116 Ų11681.4 Ų81.460%0.59540%0.399SS*.Hα-helixtrans-63-45.8174.3-68.2165.4000110.5R130 T131 A132 R137 G138R130-I134 WeakPolarHBondContact O-CG1 3.45Å; R130-I134 PolarHBondContact O-N 3.18Å; T131-I134 PolarHBondContact O-N 3Å; A132-I134 VanDerWaalsContact C-N 3.32Å; A132-I134 PolarHBondContact O-N 3.42Å; I134-R137 PolarHBondContact O-N 3.37Å; I134-G138 PolarHBondContact O-N 3.45Å
135L95.3Very high93.2Very high89 Ų8980.9 Ų80.947%0.46639%0.392SS..Hα-helixtrans-63-44.5177.7-72.4172.6000112.1Y52 T131 A132 G138 V139Y52-L135 HydrophobicContact CE1-CB 4.25Å; Y52-L135 HydrophobicContact CE1-CD1 4.48Å; Y52-L135 WeakPolarHBondContact OH-CD1 3.41Å; T131-L135 WeakPolarHBondContact O-CG 3.09Å; T131-L135 PolarHBondContact O-N 3.11Å; T131-L135 VanDerWaalsContact O-N 3.11Å; A132-L135 PolarHBondContact O-N 3.3Å; L135-G138 PolarHBondContact O-N 2.99Å; L135-V139 WeakPolarHBondContact O-CG2 3.24Å; L135-V139 PolarHBondContact O-N 3.34Å
136I97.3Very high93.4Very high21 Ų2174 Ų7411%0.10836%0.364CS..Hα-helixtrans-59.6-48.4176-71.5165.5000110.3L51 Y52 S55 A132 G138 V139 W140L51-I136 HydrophobicContact CB-CD1 3.96Å; Y52-I136 HydrophobicContact CD1-CD1 3.99Å; Y52-I136 HydrophobicContact CD1-CG1 3.76Å; Y52-I136 HydrophobicContact CE1-CD1 4.4Å; Y52-I136 HydrophobicContact CE1-CG1 4.08Å; S55-I136 WeakPolarHBondContact OG-CG2 3.39Å; A132-I136 WeakPolarHBondContact O-CB 3.36Å; A132-I136 VanDerWaalsContact O-CG1 3.32Å; A132-I136 WeakPolarHBondContact O-CG1 3.42Å; A132-I136 PolarHBondContact O-N 2.99Å; I136-G138 VanDerWaalsContact C-N 3.28Å; I136-G138 PolarHBondContact O-N 2.71Å; I136-V139 WeakPolarHBondContact O-CB 3.37Å; I136-V139 PolarHBondContact O-N 2.85Å; I136-V139 VanDerWaalsContact O-N 3.11Å; I136-W140 PolarHBondContact O-N 2.87Å; I136-W140 VanDerWaalsContact O-N 3.09Å
137R97.5Very high93.5Very high181 Ų18166.3 Ų66.368%0.68333%0.331SS*.Hα-helixtrans-57-43.1175.1-75.1176.1178.6-166.6-1.6111.8L133 I134 V139 W140 I141L133-R137 WeakPolarHBondContact O-CB 3.05Å; L133-R137 VanDerWaalsContact O-CG 3.29Å; L133-R137 WeakPolarHBondContact O-CG 3.34Å; L133-R137 PolarHBondContact O-N 3.26Å; I134-R137 PolarHBondContact O-N 3.37Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 2.96Å; R137-W140 PolarHBondContact O-N 3.16Å; R137-I141 WeakPolarHBondContact O-CB 3.43Å; R137-I141 VanDerWaalsContact O-CG1 3.28Å; R137-I141 WeakPolarHBondContact O-CG1 3.44Å; R137-I141 PolarHBondContact O-N 3.2Å
138G97.6Very high93.4Very high35 Ų3567.9 Ų67.936%0.36134%0.34SS..Hα-helixtrans-59.8-40.6175.300000113.2I134 L135 I136 S142I134-G138 PolarHBondContact O-N 3.45Å; L135-G138 PolarHBondContact O-N 2.99Å; I136-G138 VanDerWaalsContact C-N 3.28Å; I136-G138 PolarHBondContact O-N 2.71Å; G138-S142 WeakPolarHBondContact O-CB 3.36Å; G138-S142 PolarHBondContact O-N 3.5Å; G138-S142 PolarHBondContact O-OG 3.38Å
139V97.5Very high92.6Very high13 Ų1367.6 Ų67.68%0.07934%0.339CS..Hα-helixtrans-60.3-48.7174.8164.10000111.4L104 N105 C108 L135 I136 R137 S142 S143L104-V139 HydrophobicContact CB-CB 4.45Å; L104-V139 HydrophobicContact CB-CG1 3.72Å; L104-V139 HydrophobicContact CB-CG2 4.29Å; N105-V139 HydrophobicContact CB-CG1 4.49Å; C108-V139 HydrophobicContact CB-CG2 4.06Å; L135-V139 WeakPolarHBondContact O-CG2 3.24Å; L135-V139 PolarHBondContact O-N 3.34Å; I136-V139 WeakPolarHBondContact O-CB 3.37Å; I136-V139 PolarHBondContact O-N 2.85Å; I136-V139 VanDerWaalsContact O-N 3.11Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 2.96Å; V139-S142 WeakPolarHBondContact CA-OG 3.37Å; V139-S142 PolarHBondContact O-OG 2.76Å; V139-S143 WeakPolarHBondContact O-CB 3.16Å; V139-S143 PolarHBondContact O-N 2.99Å; V139-S143 PolarHBondContact O-OG 2.64Å
140W98.1Very high91.3Very high46 Ų4663.4 Ų63.417%0.17432%0.32CS..Hα-helixtrans-67.1-41.5-179.9-73.4100000112.5S55 L58 A59 L62 F97 L98 A101 I136 R137 S143 L144S55-W140 PolarHBondContact OG-NE1 3.34Å; S55-W140 VanDerWaalsContact OG-NE1 3.11Å; L58-W140 HydrophobicContact CB-CZ2 4.46Å; L58-W140 HydrophobicContact CD2-CZ2 4.14Å; L58-W140 HydrophobicContact CG-CH2 4.49Å; L58-W140 HydrophobicContact CG-CZ2 4.26Å; A59-W140 HydrophobicContact CB-CH2 3.87Å; A59-W140 HydrophobicContact CB-CZ2 4.18Å; L62-W140 HydrophobicContact CD1-CH2 4Å; L62-W140 HydrophobicContact CD1-CZ3 4.32Å; F97-W140 HydrophobicContact CE1-CE3 4.14Å; F97-W140 AromaticContact CE1-CZ3 3.89Å; F97-W140 HydrophobicContact CE1-CZ3 3.89Å; F97-W140 HydrophobicContact CE2-CE3 4.15Å; F97-W140 AromaticContact CZ-CE3 3.51Å; F97-W140 HydrophobicContact CZ-CE3 3.51Å; F97-W140 AromaticContact CZ-CZ3 3.77Å; F97-W140 HydrophobicContact CZ-CZ3 3.77Å; L98-W140 HydrophobicContact CD2-CH2 4.47Å; L98-W140 HydrophobicContact CD2-CZ3 4.2Å; A101-W140 HydrophobicContact CB-CE3 4.03Å; A101-W140 HydrophobicContact CB-CH2 4.28Å; A101-W140 HydrophobicContact CB-CZ3 3.89Å; I136-W140 PolarHBondContact O-N 2.87Å; I136-W140 VanDerWaalsContact O-N 3.09Å; R137-W140 PolarHBondContact O-N 3.16Å; W140-S143 PolarHBondContact O-N 3.03Å; W140-L144 PolarHBondContact O-N 2.89Å
141I97Very high90.2Very high103 Ų10358.5 Ų58.553%0.52830%0.304SS..Hα-helixtrans-63.6-48.1176.9-68.5166.8000110.8R137 S143 L144 L145R137-I141 WeakPolarHBondContact O-CB 3.43Å; R137-I141 VanDerWaalsContact O-CG1 3.28Å; R137-I141 WeakPolarHBondContact O-CG1 3.44Å; R137-I141 PolarHBondContact O-N 3.2Å; I141-S143 VanDerWaalsContact C-N 3.29Å; I141-S143 PolarHBondContact O-N 3.05Å; I141-L144 WeakPolarHBondContact O-CB 3.49Å; I141-L144 PolarHBondContact O-N 3.35Å; I141-L144 VanDerWaalsContact O-N 3.17Å; I141-L145 HydrophobicContact CG2-CD1 4.06Å; I141-L145 HydrophobicContact CG2-CG 4.32Å; I141-L145 WeakPolarHBondContact O-CG 3.24Å; I141-L145 PolarHBondContact O-N 3.42Å
142S94.6Very high89.2Confident44 Ų4463.3 Ų63.331%0.30833%0.327SS..Hα-helixtrans-62.2-37.2178.349.90000112.4L104 G138 V139 L145 V146L104-S142 VanDerWaalsContact CD1-OG 3.32Å; L104-S142 WeakPolarHBondContact CD1-OG 3.41Å; G138-S142 WeakPolarHBondContact O-CB 3.36Å; G138-S142 PolarHBondContact O-N 3.5Å; G138-S142 PolarHBondContact O-OG 3.38Å; V139-S142 WeakPolarHBondContact CA-OG 3.37Å; V139-S142 PolarHBondContact O-OG 2.76Å; S142-L145 PolarHBondContact O-N 3.22Å; S142-V146 WeakPolarHBondContact O-CG2 3.14Å; S142-V146 PolarHBondContact O-N 2.9Å
143S95.5Very high87.8Confident0 Ų064.7 Ų64.70%034%0.342CS..Hα-helixtrans-63.5-41.6174.3-53.10000112.2A101 V139 W140 I141 T147A101-S143 WeakPolarHBondContact CA-OG 3.29Å; A101-S143 PolarHBondContact N-OG 2.87Å; V139-S143 WeakPolarHBondContact O-CB 3.16Å; V139-S143 PolarHBondContact O-N 2.99Å; V139-S143 PolarHBondContact O-OG 2.64Å; W140-S143 PolarHBondContact O-N 3.03Å; I141-S143 VanDerWaalsContact C-N 3.29Å; I141-S143 PolarHBondContact O-N 3.05Å; S143-T147 PolarHBondContact O-N 3.35Å; S143-T147 PolarHBondContact O-OG1 3.25Å
144L93.3Very high86.4Confident85 Ų8567.3 Ų67.345%0.44536%0.361SS..Hα-helixtrans-63.8-45.3175.6-176.962.1000110.8F97 W140 I141 V146 T147 L148F97-L144 HydrophobicContact CD2-CB 4.28Å; F97-L144 HydrophobicContact CE2-CB 3.87Å; F97-L144 HydrophobicContact CE2-CD1 4.42Å; W140-L144 PolarHBondContact O-N 2.89Å; I141-L144 WeakPolarHBondContact O-CB 3.49Å; I141-L144 PolarHBondContact O-N 3.35Å; I141-L144 VanDerWaalsContact O-N 3.17Å; L144-V146 PolarHBondContact O-N 3.5Å; L144-T147 CarbonylContact O-C 3.38Å; L144-T147 WeakPolarHBondContact O-CA 3.02Å; L144-T147 WeakPolarHBondContact O-CB 3.33Å; L144-T147 PolarHBondContact O-N 2.87Å; L144-L148 WeakPolarHBondContact O-CG 3.37Å; L144-L148 PolarHBondContact O-N 3.12Å; L144-L148 VanDerWaalsContact O-N 3.07Å
145L91.5Very high85.1Confident104 Ų10464.2 Ų64.255%0.54534%0.344SS..Hα-helixtrans-58.7-43178.7-70.9174.6000112.6I141 S142 T147 L148 P149I141-L145 HydrophobicContact CG2-CD1 4.06Å; I141-L145 HydrophobicContact CG2-CG 4.32Å; I141-L145 WeakPolarHBondContact O-CG 3.24Å; I141-L145 PolarHBondContact O-N 3.42Å; S142-L145 PolarHBondContact O-N 3.22Å; L145-T147 PolarHBondContact O-N 3.36Å; L145-L148 HydrophobicContact CD2-CD1 3.76Å; L145-L148 PolarHBondContact O-N 3.16Å; L145-P149 WeakPolarHBondContact O-CD 3.44Å
146V88Confident83.9Confident24 Ų2460.9 Ų60.915%0.14533%0.327CS..Hα-helixtrans-62.5-26175171.70000111.9T100 S142 L144 P149 I175 T178T100-V146 HydrophobicContact CG2-CB 4.28Å; T100-V146 HydrophobicContact CG2-CG1 4.36Å; T100-V146 HydrophobicContact CG2-CG2 4.42Å; S142-V146 WeakPolarHBondContact O-CG2 3.14Å; S142-V146 PolarHBondContact O-N 2.9Å; L144-V146 PolarHBondContact O-N 3.5Å; V146-P149 WeakPolarHBondContact O-CD 3.36Å; V146-I175 HydrophobicContact CG1-CD1 4.3Å; V146-T178 HydrophobicContact CG2-CG2 4Å
147T85.2Confident82.7Confident1 Ų162.3 Ų62.31%0.00633%0.333CS..Hα-helixtrans-91.8-7.7-179.9-47.40000113.1S93 V96 F97 S143 L144 L145 P150S93-T147 WeakPolarHBondContact O-CG2 3.42Å; V96-T147 HydrophobicContact CB-CG2 4.37Å; F97-T147 VanDerWaalsContact CA-OG1 3.23Å; F97-T147 WeakPolarHBondContact CA-OG1 3.42Å; F97-T147 HydrophobicContact CB-CG2 4.04Å; F97-T147 PolarHBondContact N-OG1 2.91Å; S143-T147 PolarHBondContact O-N 3.35Å; S143-T147 PolarHBondContact O-OG1 3.25Å; L144-T147 CarbonylContact O-C 3.38Å; L144-T147 WeakPolarHBondContact O-CA 3.02Å; L144-T147 WeakPolarHBondContact O-CB 3.33Å; L144-T147 PolarHBondContact O-N 2.87Å; L145-T147 PolarHBondContact O-N 3.36Å; T147-P150 HydrophobicContact CG2-CG 4.37Å; T147-P150 WeakPolarHBondContact O-CD 3.17Å; T147-P150 WeakPolarHBondContact O-CG 3.39Å
148L83Confident81.9Confident69 Ų6955.5 Ų55.536%0.36131%0.311SS..Hα-helixtrans-67.3-39178.7-67.7-179.4000114.3L144 L145 F151 L152L144-L148 WeakPolarHBondContact O-CG 3.37Å; L144-L148 PolarHBondContact O-N 3.12Å; L144-L148 VanDerWaalsContact O-N 3.07Å; L145-L148 HydrophobicContact CD2-CD1 3.76Å; L145-L148 PolarHBondContact O-N 3.16Å; L148-F151 WeakPolarHBondContact O-CB 3.42Å; L148-F151 PolarHBondContact O-N 2.89Å; L148-L152 PolarHBondContact O-N 3.39Å
149P74.5Confident80.9Confident54 Ų5454.4 Ų54.435%0.35130%0.3SS..Hα-helixtrans-52.9-44.9177.8-28.737.3000114.8L145 V146 F151 L152 G153 Y171L145-P149 WeakPolarHBondContact O-CD 3.44Å; V146-P149 WeakPolarHBondContact O-CD 3.36Å; P149-F151 VanDerWaalsContact C-N 3.29Å; P149-F151 PolarHBondContact O-N 3.42Å; P149-L152 PolarHBondContact O-N 2.96Å; P149-G153 PolarHBondContact O-N 3.33Å; P149-G153 VanDerWaalsContact O-N 3.12Å; P149-Y171 HydrophobicContact CB-CE2 3.91Å
150P63.8Low80.2Confident1 Ų157.3 Ų57.31%0.00632%0.318CS..Hα-helixtrans-64.4-29.3174.313.4-20.7000114.1T147 H156 Y171T147-P150 HydrophobicContact CG2-CG 4.37Å; T147-P150 WeakPolarHBondContact O-CD 3.17Å; T147-P150 WeakPolarHBondContact O-CG 3.39Å; P150-H156 PolarHBondContact O-NE2 3.36Å; P150-Y171 VanDerWaalsContact CB-OH 3.23Å; P150-Y171 WeakPolarHBondContact CB-OH 3.41Å; P150-Y171 WeakPolarHBondContact CD-OH 3.43Å; P150-Y171 WeakPolarHBondContact CG-OH 3.38Å
151F68.1Low79.5Confident104 Ų10457.1 Ų57.146%0.45633%0.33SS..Hα-helixtrans-69.2-32.4176.6-102.3-79.3000113.7S93 L148 P149S93-F151 VanDerWaalsContact CB-CE2 3.4Å; L148-F151 WeakPolarHBondContact O-CB 3.42Å; L148-F151 PolarHBondContact O-N 2.89Å; P149-F151 VanDerWaalsContact C-N 3.29Å; P149-F151 PolarHBondContact O-N 3.42Å
152L71.1Confident78.6Confident154 Ų15459 Ų5981%0.80633%0.33SS*.Hα-helixtrans-95.9-17.5-174.4-62.6175.9000113.1L148 P149L148-L152 PolarHBondContact O-N 3.39Å; P149-L152 PolarHBondContact O-N 2.96Å
153G64.5Low78.3Confident30 Ų3057 Ų5731%0.30932%0.316SS..SBendtrans-94.9151.5-174.900000114.2P149 Q155P149-G153 PolarHBondContact O-N 3.33Å; P149-G153 VanDerWaalsContact O-N 3.12Å; G153-Q155 PolarHBondContact O-N 3.4Å
154T65.2Low77.7Confident140 Ų14061.9 Ų61.986%0.85934%0.335SS*.SBendtrans-75.938168.148.70000112.5H156T154-H156 VanDerWaalsContact C-N 3.35Å; T154-H156 PolarHBondContact O-N 3.44Å
155Q67.9Low76.8Confident50 Ų5059 Ų5923%0.23432%0.32CS..  trans-95.617-168.3-59.2-61.9-11.200112.4G153 I165 R166G153-Q155 PolarHBondContact O-N 3.4Å; Q155-I165 CarbonylContact O-C 3.6Å; Q155-I165 WeakPolarHBondContact O-CA 3.43Å; Q155-R166 CarbonylContact C-O 3.53Å; Q155-R166 WeakPolarHBondContact CA-O 3.34Å; Q155-R166 WeakPolarHBondContact CB-O 3.36Å; Q155-R166 CarbonylContact O-C 3.28Å; Q155-R166 WeakPolarHBondContact O-CA 3.23Å; Q155-R166 PolarHBondContact O-N 3.03Å; Q155-R166 PolarHBondContact OE1-O 3.22Å
156H70.6Confident75.7Confident20 Ų2061.1 Ų61.19%0.09332%0.321CS..EExtended strand (participates in β ladder)trans-124.4118.3-173.6-65.6-16.8000110V89 P150 T154 T158V89-H156 HydrophobicContact CG2-CB 4.1Å; V89-H156 VanDerWaalsContact CG2-CD2 3.44Å; V89-H156 WeakPolarHBondContact CG2-CD2 3.34Å; P150-H156 PolarHBondContact O-NE2 3.36Å; T154-H156 VanDerWaalsContact C-N 3.35Å; T154-H156 PolarHBondContact O-N 3.44Å; H156-T158 HydrophobicContact CB-CG2 3.98Å; H156-T158 PolarHBondContact O-N 3.01Å
157H71.7Confident74.7Confident51 Ų5160.7 Ų60.724%0.23632%0.319CS..EExtended strand (participates in β ladder)trans-84.4112.1165.6-80.2-56.1000107.4R162 C163 Y164 R166H157-R162 CarbonylContact C-O 3.09Å; H157-R162 CarbonylContact O-C 3.4Å; H157-R162 VanDerWaalsContact O-C 3.28Å; H157-C163 VanDerWaalsContact O-CA 3.31Å; H157-C163 WeakPolarHBondContact O-CA 3.48Å; H157-Y164 HydrophobicContact CB-CD1 4.3Å; H157-Y164 HydrophobicContact CB-CD2 4.26Å; H157-Y164 HydrophobicContact CB-CE1 3.85Å; H157-Y164 HydrophobicContact CB-CE2 3.85Å; H157-Y164 HydrophobicContact CB-CG 4.47Å; H157-Y164 AromaticContact CD2-CE2 3.34Å; H157-Y164 WeakPolarHBondContact CD2-CE2 3.32Å; H157-Y164 AromaticContact CD2-CZ 3.56Å; H157-Y164 PolarHBondContact CD2-OH 3.33Å; H157-Y164 AromaticContact CG-CE2 3.94Å; H157-Y164 AromaticContact CG-CZ 3.83Å; H157-Y164 PolarHBondContact N-O 3.31Å; H157-Y164 PolarHBondContact O-N 2.97Å; H157-R166 WeakPolarHBondContact CD2-CB 3.37Å; H157-R166 WeakPolarHBondContact NE2-CD 3.41Å; H157-R166 WeakPolarHBondContact NE2-CG 3.39Å; H157-R166 PolarHBondContact NE2-NH1 3.17Å
158T80.6Confident74.2Confident37 Ų3764.7 Ų64.723%0.22734%0.34CS..EExtended strand (participates in β ladder)trans-120.4147.5-175.862.80000111.4H85 C88 V89 H156 R162H85-T158 HydrophobicContact CB-CG2 4.44Å; H85-T158 WeakPolarHBondContact ND1-CB 3.22Å; H85-T158 WeakPolarHBondContact ND1-CG2 3.38Å; H85-T158 PolarHBondContact ND1-OG1 3.46Å; C88-T158 HydrophobicContact CB-CG2 3.99Å; V89-T158 HydrophobicContact CG2-CG2 4.1Å; H156-T158 HydrophobicContact CB-CG2 3.98Å; H156-T158 PolarHBondContact O-N 3.01Å; T158-R162 CarbonylContact C-O 3.47Å; T158-R162 WeakPolarHBondContact CA-O 3.42Å
159G77.5Confident74.2Confident13 Ų1364.3 Ų64.313%0.13434%0.341CS..EExtended strand (participates in β ladder)trans140.6178.1176.100000110.5G161 R162G159-G161 PolarHBondContact O-N 3.38Å; G159-R162 PolarHBondContact N-O 3.42Å; G159-R162 CarbonylContact O-C 3.48Å; G159-R162 PolarHBondContact O-N 2.96Å
160V82Confident74.6Confident74 Ų7463.9 Ų63.945%0.44835%0.347SS..THydrogen-bonded Turntrans-57.9127175.6-172.40000109.2Y79 W80 E83 R162Y79-V160 HydrophobicContact CD2-CG1 4.06Å; Y79-V160 HydrophobicContact CE2-CG1 3.87Å; W80-V160 WeakPolarHBondContact O-CA 3.14Å; E83-V160 HydrophobicContact CB-CG2 4.46Å; E83-V160 HydrophobicContact CG-CG2 3.36Å; V160-R162 PolarHBondContact O-N 3.44Å; V160-R162 VanDerWaalsContact O-N 3.17Å
161G83Confident75.4Confident42 Ų4264.9 Ų64.943%0.43335%0.351SS..THydrogen-bonded Turntrans71.3-1.6-176.400000116W80 G159W80-G161 PolarHBondContact O-N 3.27Å; G159-G161 PolarHBondContact O-N 3.38Å
162R79.2Confident76.1Confident142 Ų14261.8 Ų61.854%0.53634%0.336SS..EExtended strand (participates in β ladder)trans-129.593.6-179.3-66.4-174.6-76170.2-4109H157 T158 G159 V160 Y164H157-R162 CarbonylContact C-O 3.09Å; H157-R162 CarbonylContact O-C 3.4Å; H157-R162 VanDerWaalsContact O-C 3.28Å; T158-R162 CarbonylContact C-O 3.47Å; T158-R162 WeakPolarHBondContact CA-O 3.42Å; G159-R162 PolarHBondContact N-O 3.42Å; G159-R162 CarbonylContact O-C 3.48Å; G159-R162 PolarHBondContact O-N 2.96Å; V160-R162 PolarHBondContact O-N 3.44Å; V160-R162 VanDerWaalsContact O-N 3.17Å; R162-Y164 HydrophobicContact CB-CE1 4.07Å; R162-Y164 HydrophobicContact CG-CE1 4.2Å
163C87.1Confident76.9Confident1 Ų156.4 Ų56.41%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-134.686.8167.5179.80000109.7R74 W80 C88 H157R74-C163 PolarHBondContact NH1-O 3.43Å; W80-C163 HydrophobicContact CB-CB 3.6Å; W80-C163 HydrophobicContact CD2-CB 3.44Å; W80-C163 VanDerWaalsContact CD2-CB 3.44Å; W80-C163 HydrophobicContact CE3-CB 3.93Å; W80-C163 HydrophobicContact CG-CB 3.29Å; C88-C163 VanDerWaalsContact CA-SG 3.53Å; C88-C163 HydrophobicContact CB-CB 3.95Å; C88-C163 WeakPolarHBondContact CB-SG 3.39Å; C88-C163 WeakPolarHBondContact SG-CA 3.42Å; C88-C163 WeakPolarHBondContact SG-CB 3.43Å; C88-C163 CovalentContact SG-SG 2.03Å; C88-C163 PolarHBondContact SG-SG 3.33Å; H157-C163 VanDerWaalsContact O-CA 3.31Å; H157-C163 WeakPolarHBondContact O-CA 3.48Å
164Y83Confident77.9Confident104 Ų10460 Ų6041%0.40832%0.318SS..EExtended strand (participates in β ladder)trans-151.3154.9179.156.1-86.6000110.3H157 R162 R166H157-Y164 HydrophobicContact CB-CD1 4.3Å; H157-Y164 HydrophobicContact CB-CD2 4.26Å; H157-Y164 HydrophobicContact CB-CE1 3.85Å; H157-Y164 HydrophobicContact CB-CE2 3.85Å; H157-Y164 HydrophobicContact CB-CG 4.47Å; H157-Y164 AromaticContact CD2-CE2 3.34Å; H157-Y164 WeakPolarHBondContact CD2-CE2 3.32Å; H157-Y164 AromaticContact CD2-CZ 3.56Å; H157-Y164 PolarHBondContact CD2-OH 3.33Å; H157-Y164 AromaticContact CG-CE2 3.94Å; H157-Y164 AromaticContact CG-CZ 3.83Å; H157-Y164 PolarHBondContact N-O 3.31Å; H157-Y164 PolarHBondContact O-N 2.97Å; R162-Y164 HydrophobicContact CB-CE1 4.07Å; R162-Y164 HydrophobicContact CG-CE1 4.2Å; Y164-R166 PolarHBondContact O-N 3.17Å; Y164-R166 VanDerWaalsContact O-N 3.14Å
165I75.3Confident78.9Confident25 Ų2553.6 Ų53.613%0.12828%0.279CS..EExtended strand (participates in β ladder)trans-77.7101.9179.5-53.4175.7000107.5L92 Q155 S167 Y171L92-I165 HydrophobicContact CB-CD1 4.32Å; L92-I165 HydrophobicContact CB-CG1 4.2Å; L92-I165 HydrophobicContact CD1-CG1 3.8Å; L92-I165 HydrophobicContact CD2-CD1 4.44Å; L92-I165 HydrophobicContact CD2-CG1 4.09Å; L92-I165 HydrophobicContact CG-CG1 4.25Å; Q155-I165 CarbonylContact O-C 3.6Å; Q155-I165 WeakPolarHBondContact O-CA 3.43Å; I165-S167 WeakPolarHBondContact CG2-OG 3.48Å; I165-S167 PolarHBondContact O-N 3.25Å; I165-S167 PolarHBondContact O-OG 2.92Å; I165-Y171 HydrophobicContact CG2-CE1 3.91Å
166R67.8Low79.9Confident148 Ų14851.2 Ų51.256%0.55827%0.267SS*.  trans-68.6109.8162.6-167.1-164.4-179.963.6-9.8106.4Q155 H157 Y164Q155-R166 CarbonylContact C-O 3.53Å; Q155-R166 WeakPolarHBondContact CA-O 3.34Å; Q155-R166 WeakPolarHBondContact CB-O 3.36Å; Q155-R166 CarbonylContact O-C 3.28Å; Q155-R166 WeakPolarHBondContact O-CA 3.23Å; Q155-R166 PolarHBondContact O-N 3.03Å; Q155-R166 PolarHBondContact OE1-O 3.22Å; H157-R166 WeakPolarHBondContact CD2-CB 3.37Å; H157-R166 WeakPolarHBondContact NE2-CD 3.41Å; H157-R166 WeakPolarHBondContact NE2-CG 3.39Å; H157-R166 PolarHBondContact NE2-NH1 3.17Å; Y164-R166 PolarHBondContact O-N 3.17Å; Y164-R166 VanDerWaalsContact O-N 3.14Å
167S67Low80.9Confident15 Ų1553.9 Ų53.911%0.10528%0.282CS..  trans-138.1135.4177.929.10000108.8I165 R172I165-S167 WeakPolarHBondContact CG2-OG 3.48Å; I165-S167 PolarHBondContact O-N 3.25Å; I165-S167 PolarHBondContact O-OG 2.92Å; S167-R172 WeakPolarHBondContact OG-CG 3.32Å; S167-R172 PolarHBondContact OG-NE 2.9Å
168D76.4Confident81.7Confident85 Ų8553.6 Ų53.646%0.45528%0.283SS..  trans-51.4151.5165.559.9-76.4000109.9G170 Y171 R172D168-G170 PolarHBondContact O-N 3.47Å; D168-G170 VanDerWaalsContact O-N 3.09Å; D168-G170 VanDerWaalsContact OD2-CA 3.28Å; D168-G170 WeakPolarHBondContact OD2-CA 3.38Å; D168-G170 PolarHBondContact OD2-N 2.96Å; D168-Y171 PolarHBondContact O-N 3.39Å; D168-Y171 WeakPolarHBondContact OD1-CB 3.26Å; D168-Y171 PolarHBondContact OD2-N 3.37Å; D168-R172 PolarHBondContact O-N 3.38Å
169T81.8Confident82.1Confident60 Ų6051.9 Ų51.937%0.36827%0.273SS..Hα-helixtrans-52.4-33.3178.1-58.50000112S173 G444T169-S173 VanDerWaalsContact O-CB 3.25Å; T169-S173 WeakPolarHBondContact O-CB 3.5Å; T169-S173 PolarHBondContact O-N 3.39Å; T169-S173 PolarHBondContact O-OG 3.28Å; T169-G444 WeakPolarHBondContact CG2-O 3.23Å; T169-G444 PolarHBondContact OG1-O 3.03Å
170G82.3Confident82.8Confident46 Ų4651.7 Ų51.747%0.47427%0.269SS..Hα-helixtrans-61.6-51.217600000112.3D168 S173 F174D168-G170 PolarHBondContact O-N 3.47Å; D168-G170 VanDerWaalsContact O-N 3.09Å; D168-G170 VanDerWaalsContact OD2-CA 3.28Å; D168-G170 WeakPolarHBondContact OD2-CA 3.38Å; D168-G170 PolarHBondContact OD2-N 2.96Å; G170-S173 PolarHBondContact O-N 3.32Å; G170-F174 WeakPolarHBondContact O-CB 3.37Å; G170-F174 PolarHBondContact O-N 2.95Å
171Y80.5Confident83.3Confident22 Ų2251.4 Ų51.49%0.08626%0.264CS..Hα-helixtrans-62.8-46.4177.3175.9-81000112.4P149 P150 I165 D168 S173 F174 I175P149-Y171 HydrophobicContact CB-CE2 3.91Å; P150-Y171 VanDerWaalsContact CB-OH 3.23Å; P150-Y171 WeakPolarHBondContact CB-OH 3.41Å; P150-Y171 WeakPolarHBondContact CD-OH 3.43Å; P150-Y171 WeakPolarHBondContact CG-OH 3.38Å; I165-Y171 HydrophobicContact CG2-CE1 3.91Å; D168-Y171 PolarHBondContact O-N 3.39Å; D168-Y171 WeakPolarHBondContact OD1-CB 3.26Å; D168-Y171 PolarHBondContact OD2-N 3.37Å; Y171-S173 VanDerWaalsContact C-N 3.27Å; Y171-S173 PolarHBondContact O-N 3.03Å; Y171-F174 PolarHBondContact O-N 3.29Å; Y171-I175 HydrophobicContact CD1-CG1 4.06Å; Y171-I175 HydrophobicContact CD2-CG1 4.43Å; Y171-I175 HydrophobicContact CE1-CG1 3.58Å; Y171-I175 HydrophobicContact CE2-CD1 4.25Å; Y171-I175 HydrophobicContact CE2-CG1 3.97Å; Y171-I175 HydrophobicContact CG-CG1 4.48Å; Y171-I175 PolarHBondContact O-N 3.36Å
172R84.7Confident83.8Confident38 Ų3854.1 Ų54.114%0.14327%0.267CS..Hα-helixtrans-58-44.6177.5-72-175.5171.2-171.7-11.8110.8S167 D168 G176 Y440 E443S167-R172 WeakPolarHBondContact OG-CG 3.32Å; S167-R172 PolarHBondContact OG-NE 2.9Å; D168-R172 PolarHBondContact O-N 3.38Å; R172-G176 PolarHBondContact O-N 2.96Å; R172-Y440 HydrophobicContact CB-CE1 4.42Å; R172-Y440 WeakPolarHBondContact O-CE1 3.32Å; R172-E443 IonicContact CZ-OE1 3.37Å; R172-E443 VanDerWaalsContact CZ-OE1 3.27Å; R172-E443 PolarHBondContact NH1-O 3.38Å; R172-E443 IonicContact NH1-OE1 3.31Å; R172-E443 PolarHBondContact NH1-OE1 3.19Å; R172-E443 IonicContact NH1-OE2 3.58Å; R172-E443 IonicContact NH2-OE1 3.27Å; R172-E443 PolarHBondContact NH2-OE1 3.35Å
173S86Confident84.5Confident41 Ų4147.6 Ų47.629%0.28724%0.244SC..Hα-helixtrans-63.6-45.5176.3-59.40000111.3T169 G170 Y171 G176 I177T169-S173 VanDerWaalsContact O-CB 3.25Å; T169-S173 WeakPolarHBondContact O-CB 3.5Å; T169-S173 PolarHBondContact O-N 3.39Å; T169-S173 PolarHBondContact O-OG 3.28Å; G170-S173 PolarHBondContact O-N 3.32Å; Y171-S173 VanDerWaalsContact C-N 3.27Å; Y171-S173 PolarHBondContact O-N 3.03Å; S173-G176 PolarHBondContact O-N 3.33Å; S173-I177 VanDerWaalsContact O-CB 3.23Å; S173-I177 WeakPolarHBondContact O-CB 3.29Å; S173-I177 WeakPolarHBondContact O-CD1 3.5Å; S173-I177 WeakPolarHBondContact O-CG1 3.37Å; S173-I177 PolarHBondContact O-N 3.14Å
174F86.2Confident84.9Confident106 Ų10648.4 Ų48.447%0.46525%0.247SC..Hα-helixtrans-59.9-49.9179.9175-99.2000112.4G170 Y171 T178G170-F174 WeakPolarHBondContact O-CB 3.37Å; G170-F174 PolarHBondContact O-N 2.95Å; Y171-F174 PolarHBondContact O-N 3.29Å; F174-T178 WeakPolarHBondContact O-CB 3.24Å; F174-T178 PolarHBondContact O-N 2.85Å; F174-T178 PolarHBondContact O-OG1 2.87Å
175I86.6Confident85.5Confident5 Ų548 Ų483%0.02626%0.255CS..Hα-helixtrans-65.7-47.6177.8-64.8-61.9000110.3V96 V146 Y171 I177 T178 T179V96-I175 HydrophobicContact CG1-CG2 4.38Å; V146-I175 HydrophobicContact CG1-CD1 4.3Å; Y171-I175 HydrophobicContact CD1-CG1 4.06Å; Y171-I175 HydrophobicContact CD2-CG1 4.43Å; Y171-I175 HydrophobicContact CE1-CG1 3.58Å; Y171-I175 HydrophobicContact CE2-CD1 4.25Å; Y171-I175 HydrophobicContact CE2-CG1 3.97Å; Y171-I175 HydrophobicContact CG-CG1 4.48Å; Y171-I175 PolarHBondContact O-N 3.36Å; I175-I177 VanDerWaalsContact C-N 3.33Å; I175-I177 PolarHBondContact O-N 3.46Å; I175-T178 PolarHBondContact O-N 3.42Å; I175-T179 WeakPolarHBondContact O-CB 3.48Å; I175-T179 PolarHBondContact O-N 3.13Å; I175-T179 PolarHBondContact O-OG1 3.28Å
176G89.7Confident86.5Confident0 Ų050.5 Ų50.50%027%0.268CS..Hα-helixtrans-59.9-41.3179.900000113.1R172 S173 F180 I181R172-G176 PolarHBondContact O-N 2.96Å; S173-G176 PolarHBondContact O-N 3.33Å; G176-F180 WeakPolarHBondContact O-CB 3.45Å; G176-F180 PolarHBondContact O-N 3.06Å; G176-I181 PolarHBondContact O-N 3.36Å
177I90Very high87.8Confident77 Ų7743.6 Ų43.640%0.39524%0.243SC..Iπ-helixtrans-70.2-49178.5-68.7166.2000111.3S173 I175 I181 I182S173-I177 VanDerWaalsContact O-CB 3.23Å; S173-I177 WeakPolarHBondContact O-CB 3.29Å; S173-I177 WeakPolarHBondContact O-CD1 3.5Å; S173-I177 WeakPolarHBondContact O-CG1 3.37Å; S173-I177 PolarHBondContact O-N 3.14Å; I175-I177 VanDerWaalsContact C-N 3.33Å; I175-I177 PolarHBondContact O-N 3.46Å; I177-I181 PolarHBondContact O-N 3.27Å; I177-I182 HydrophobicContact CG2-CD1 3.87Å; I177-I182 HydrophobicContact CG2-CG1 3.97Å; I177-I182 PolarHBondContact O-N 3.06Å
178T88.2Confident89.1Confident44 Ų4445.1 Ų45.127%0.2725%0.253SS..Iπ-helixtrans-70.3-40.5-174.7-55.70000111.8V146 F174 I175 P183V146-T178 HydrophobicContact CG2-CG2 4Å; F174-T178 WeakPolarHBondContact O-CB 3.24Å; F174-T178 PolarHBondContact O-N 2.85Å; F174-T178 PolarHBondContact O-OG1 2.87Å; I175-T178 PolarHBondContact O-N 3.42Å; T178-P183 WeakPolarHBondContact O-CD 3.49Å
179T90.5Very high90Very high1 Ų146.4 Ų46.41%0.00626%0.255CS..Iπ-helixtrans-83.5-35-177.1-61.50000112.7T100 I103 I175 P183T100-T179 VanDerWaalsContact OG1-CG2 3.23Å; T100-T179 WeakPolarHBondContact OG1-CG2 3.39Å; T100-T179 PolarHBondContact OG1-OG1 3.4Å; I103-T179 WeakPolarHBondContact CD1-O 3.34Å; I103-T179 WeakPolarHBondContact CG2-O 3.43Å; I175-T179 WeakPolarHBondContact O-CB 3.48Å; I175-T179 PolarHBondContact O-N 3.13Å; I175-T179 PolarHBondContact O-OG1 3.28Å; T179-P183 WeakPolarHBondContact O-CG 3.25Å
180F91.3Very high90.7Very high10 Ų1044 Ų444%0.04424%0.24CC..Iπ-helixtrans-117.5-56.4-173.2-60-72.4000113.9I103 G176 P183 F184 W433 T437I103-F180 HydrophobicContact CD1-CD1 4.43Å; G176-F180 WeakPolarHBondContact O-CB 3.45Å; G176-F180 PolarHBondContact O-N 3.06Å; F180-P183 WeakPolarHBondContact O-CD 3.23Å; F180-F184 HydrophobicContact CB-CD2 4.27Å; F180-F184 HydrophobicContact CB-CE2 3.99Å; F180-F184 HydrophobicContact CB-CZ 4.47Å; F180-F184 HydrophobicContact CD1-CE2 4.44Å; F180-F184 HydrophobicContact CD1-CZ 4.16Å; F180-F184 VanDerWaalsContact O-CB 3.24Å; F180-F184 WeakPolarHBondContact O-CB 3.45Å; F180-F184 WeakPolarHBondContact O-CD2 3.44Å; F180-F184 WeakPolarHBondContact O-CG 3.13Å; F180-F184 PolarHBondContact O-N 3.36Å; F180-W433 HydrophobicContact CD1-CE3 4.49Å; F180-W433 AromaticContact CE1-CD2 4Å; F180-W433 HydrophobicContact CE1-CD2 4Å; F180-W433 AromaticContact CE1-CE3 3.41Å; F180-W433 HydrophobicContact CE1-CE3 3.41Å; F180-W433 VanDerWaalsContact CE1-CE3 3.41Å; F180-W433 AromaticContact CE1-CZ3 3.9Å; F180-W433 HydrophobicContact CE1-CZ3 3.9Å; F180-W433 AromaticContact CZ-CE3 3.71Å; F180-W433 HydrophobicContact CZ-CE3 3.71Å; F180-W433 AromaticContact CZ-CZ3 3.78Å; F180-W433 HydrophobicContact CZ-CZ3 3.78Å; F180-T437 HydrophobicContact CB-CG2 3.5Å; F180-T437 VanDerWaalsContact CB-CG2 3.5Å; F180-T437 WeakPolarHBondContact CD1-OG1 3.37Å; F180-T437 HydrophobicContact CD2-CG2 3.9Å; F180-T437 HydrophobicContact CG-CG2 3.72Å; F180-T437 WeakPolarHBondContact CG-OG1 3.37Å
181I92.6Very high91.2Very high68 Ų6843.2 Ų43.235%0.34922%0.223SC..Iπ-helixtrans-63.4-51.9-170.9-58.5-59.6000111.9G176 I177 F184 V185 L441G176-I181 PolarHBondContact O-N 3.36Å; I177-I181 PolarHBondContact O-N 3.27Å; I181-F184 PolarHBondContact O-N 2.93Å; I181-V185 HydrophobicContact CG2-CG2 4.41Å; I181-V185 VanDerWaalsContact O-CG2 3.31Å; I181-V185 WeakPolarHBondContact O-CG2 3.4Å; I181-V185 PolarHBondContact O-N 3.06Å; I181-L441 HydrophobicContact CD1-CD1 3.73Å; I181-L441 HydrophobicContact CG1-CD1 3.94Å
182I94Very high91.9Very high99 Ų9946.7 Ų46.751%0.50824%0.242SC..Hα-helixtrans-59.7-51-179.4-69.8171000110.7I177 F184 V185 L186I177-I182 HydrophobicContact CG2-CD1 3.87Å; I177-I182 HydrophobicContact CG2-CG1 3.97Å; I177-I182 PolarHBondContact O-N 3.06Å; I182-F184 PolarHBondContact O-N 3.27Å; I182-V185 PolarHBondContact O-N 3.2Å; I182-L186 WeakPolarHBondContact O-CB 3.41Å; I182-L186 PolarHBondContact O-N 3.04Å
183P94.5Very high92.4Very high5 Ų551.1 Ų51.13%0.03226%0.258CS..Hα-helixtrans-63.3-39.1176.7-28.538.9000114.6I103 T178 T179 F180 L186 V187I103-P183 HydrophobicContact CD1-CB 3.45Å; I103-P183 VanDerWaalsContact CD1-CB 3.45Å; I103-P183 HydrophobicContact CD1-CG 4.17Å; I103-P183 HydrophobicContact CG1-CB 3.63Å; I103-P183 HydrophobicContact CG1-CG 4.49Å; I103-P183 HydrophobicContact CG2-CB 4.27Å; I103-P183 HydrophobicContact CG2-CG 4.27Å; T178-P183 WeakPolarHBondContact O-CD 3.49Å; T179-P183 WeakPolarHBondContact O-CG 3.25Å; F180-P183 WeakPolarHBondContact O-CD 3.23Å; P183-L186 PolarHBondContact O-N 3.47Å; P183-V187 WeakPolarHBondContact O-CB 3.42Å; P183-V187 VanDerWaalsContact O-CG2 3.26Å; P183-V187 WeakPolarHBondContact O-CG2 3.29Å; P183-V187 PolarHBondContact O-N 3.5Å
184F94.8Very high92.8Very high18 Ų1849.3 Ų49.38%0.07925%0.245CC..Hα-helixtrans-61.2-45.9176.7-75.7-21.1000111.9I103 F180 I181 I182 S188 F429 I430 W433 L434 T437I103-F184 HydrophobicContact CD1-CD1 3.81Å; I103-F184 HydrophobicContact CD1-CE1 3.76Å; F180-F184 HydrophobicContact CB-CD2 4.27Å; F180-F184 HydrophobicContact CB-CE2 3.99Å; F180-F184 HydrophobicContact CB-CZ 4.47Å; F180-F184 HydrophobicContact CD1-CE2 4.44Å; F180-F184 HydrophobicContact CD1-CZ 4.16Å; F180-F184 VanDerWaalsContact O-CB 3.24Å; F180-F184 WeakPolarHBondContact O-CB 3.45Å; F180-F184 WeakPolarHBondContact O-CD2 3.44Å; F180-F184 WeakPolarHBondContact O-CG 3.13Å; F180-F184 PolarHBondContact O-N 3.36Å; I181-F184 PolarHBondContact O-N 2.93Å; I182-F184 PolarHBondContact O-N 3.27Å; F184-S188 WeakPolarHBondContact O-CB 3.49Å; F184-S188 PolarHBondContact O-N 3.33Å; F184-S188 PolarHBondContact O-OG 3.23Å; F184-F429 AromaticContact CE1-CD1 3.72Å; F184-F429 HydrophobicContact CE1-CD1 3.72Å; F184-F429 AromaticContact CE1-CE1 3.58Å; F184-F429 HydrophobicContact CE1-CE1 3.58Å; F184-F429 HydrophobicContact CZ-CE1 4.25Å; F184-I430 HydrophobicContact CD1-CG1 3.86Å; F184-I430 HydrophobicContact CE1-CG1 4Å; F184-W433 HydrophobicContact CZ-CB 3.87Å; F184-L434 HydrophobicContact CE2-CD1 4.5Å; F184-T437 HydrophobicContact CE2-CG2 4.43Å
185V95.3Very high93.1Very high95 Ų9550 Ų5058%0.57625%0.248SC*.Hα-helixtrans-63.1-46.3176.9172.60000110.3I181 I182 S188 F189I181-V185 HydrophobicContact CG2-CG2 4.41Å; I181-V185 VanDerWaalsContact O-CG2 3.31Å; I181-V185 WeakPolarHBondContact O-CG2 3.4Å; I181-V185 PolarHBondContact O-N 3.06Å; I182-V185 PolarHBondContact O-N 3.2Å; V185-S188 PolarHBondContact O-N 3.11Å; V185-F189 VanDerWaalsContact O-CB 3.26Å; V185-F189 WeakPolarHBondContact O-CB 3.44Å; V185-F189 PolarHBondContact O-N 3.24Å
186L95.6Very high93.4Very high77 Ų7756.8 Ų56.840%0.40328%0.275SS..Hα-helixtrans-58.9-51.8179.4177.163.8000111.9C107 I182 P183 F189 I190C107-L186 HydrophobicContact CB-CD2 4.36Å; I182-L186 WeakPolarHBondContact O-CB 3.41Å; I182-L186 PolarHBondContact O-N 3.04Å; P183-L186 PolarHBondContact O-N 3.47Å; L186-F189 PolarHBondContact O-N 3.42Å; L186-I190 HydrophobicContact CD1-CD1 3.94Å; L186-I190 HydrophobicContact CD1-CG1 4.46Å; L186-I190 HydrophobicContact CG-CD1 3.98Å; L186-I190 VanDerWaalsContact O-CG1 3.26Å; L186-I190 WeakPolarHBondContact O-CG1 3.49Å; L186-I190 PolarHBondContact O-N 3.37Å
187V95.3Very high93.5Very high4 Ų458.3 Ų58.32%0.02428%0.284CS..Hα-helixtrans-65.6-45.1-177.8173.30000110.6I106 C107 P183 F189 I190 Y191 V426I106-V187 HydrophobicContact CG2-CG1 4.15Å; I106-V187 HydrophobicContact CG2-CG2 4.19Å; C107-V187 HydrophobicContact CB-CG2 4.28Å; C107-V187 WeakPolarHBondContact SG-CG2 3.46Å; P183-V187 WeakPolarHBondContact O-CB 3.42Å; P183-V187 VanDerWaalsContact O-CG2 3.26Å; P183-V187 WeakPolarHBondContact O-CG2 3.29Å; P183-V187 PolarHBondContact O-N 3.5Å; V187-F189 PolarHBondContact O-N 3.04Å; V187-I190 PolarHBondContact O-N 3.48Å; V187-Y191 HydrophobicContact CG1-CD2 3.81Å; V187-Y191 HydrophobicContact CG1-CE2 3.9Å; V187-Y191 WeakPolarHBondContact O-CD2 3.26Å; V187-Y191 PolarHBondContact O-N 3.37Å; V187-V426 HydrophobicContact CG1-CB 4.2Å; V187-V426 HydrophobicContact CG1-CG1 3.25Å; V187-V426 HydrophobicContact CG1-CG2 3.93Å
188S94.3Very high93.5Very high46 Ų4655.7 Ų55.732%0.32227%0.271SS..Hα-helixtrans-58.3-47.8177.1-60.50000111.3F184 V185 I190 Y191 I192F184-S188 WeakPolarHBondContact O-CB 3.49Å; F184-S188 PolarHBondContact O-N 3.33Å; F184-S188 PolarHBondContact O-OG 3.23Å; V185-S188 PolarHBondContact O-N 3.11Å; S188-I190 VanDerWaalsContact C-N 3.35Å; S188-I190 PolarHBondContact O-N 3.36Å; S188-Y191 PolarHBondContact O-N 3.33Å; S188-I192 WeakPolarHBondContact O-CB 3.28Å; S188-I192 WeakPolarHBondContact O-CD1 3.28Å; S188-I192 WeakPolarHBondContact O-CG1 3.22Å; S188-I192 PolarHBondContact O-N 2.9Å
189F95.7Very high93.5Very high112 Ų11260.9 Ų60.949%0.49129%0.285SS..Hα-helixtrans-57.9-45.4176.5174.3-99.3000112.3V185 L186 V187 Y191 I192 R193V185-F189 VanDerWaalsContact O-CB 3.26Å; V185-F189 WeakPolarHBondContact O-CB 3.44Å; V185-F189 PolarHBondContact O-N 3.24Å; L186-F189 PolarHBondContact O-N 3.42Å; V187-F189 PolarHBondContact O-N 3.04Å; F189-Y191 PolarHBondContact O-N 2.69Å; F189-I192 PolarHBondContact O-N 3.09Å; F189-R193 HydrophobicContact CE1-CG 4.14Å; F189-R193 HydrophobicContact CE2-CG 4.29Å; F189-R193 HydrophobicContact CZ-CG 4.01Å; F189-R193 WeakPolarHBondContact O-CG 3.25Å; F189-R193 PolarHBondContact O-N 2.93Å
190I96Very high93.5Very high11 Ų1168.5 Ų68.56%0.05631%0.314CS..Hα-helixtrans-60.3-47.6178.3-71.1166.3000110.8V111 Y114 L186 V187 S188 I192 R193 I194V111-I190 HydrophobicContact CG2-CD1 3.65Å; Y114-I190 HydrophobicContact CD2-CG2 4.37Å; Y114-I190 HydrophobicContact CG-CG2 4.4Å; L186-I190 HydrophobicContact CD1-CD1 3.94Å; L186-I190 HydrophobicContact CD1-CG1 4.46Å; L186-I190 HydrophobicContact CG-CD1 3.98Å; L186-I190 VanDerWaalsContact O-CG1 3.26Å; L186-I190 WeakPolarHBondContact O-CG1 3.49Å; L186-I190 PolarHBondContact O-N 3.37Å; V187-I190 PolarHBondContact O-N 3.48Å; S188-I190 VanDerWaalsContact C-N 3.35Å; S188-I190 PolarHBondContact O-N 3.36Å; I190-I192 PolarHBondContact O-N 3.24Å; I190-R193 WeakPolarHBondContact O-CB 3.25Å; I190-R193 PolarHBondContact O-N 3.33Å; I190-I194 HydrophobicContact CG2-CD1 3.74Å; I190-I194 HydrophobicContact CG2-CG1 4.28Å; I190-I194 VanDerWaalsContact O-CG1 3.31Å; I190-I194 WeakPolarHBondContact O-CG1 3.26Å; I190-I194 PolarHBondContact O-N 2.98Å
191Y94.5Very high93.1Very high29 Ų2970.7 Ų70.711%0.11432%0.322CS..Hα-helixtrans-68.9-35.1-178.5-85.1-77.7000113.7S110 V187 S188 F189 R193 I194 F195 V422 A423 V426S110-Y191 WeakPolarHBondContact OG-CE2 3.33Å; V187-Y191 HydrophobicContact CG1-CD2 3.81Å; V187-Y191 HydrophobicContact CG1-CE2 3.9Å; V187-Y191 WeakPolarHBondContact O-CD2 3.26Å; V187-Y191 PolarHBondContact O-N 3.37Å; S188-Y191 PolarHBondContact O-N 3.33Å; F189-Y191 PolarHBondContact O-N 2.69Å; Y191-R193 VanDerWaalsContact C-N 3.33Å; Y191-R193 PolarHBondContact O-N 3.49Å; Y191-I194 HydrophobicContact CD1-CD1 4.35Å; Y191-I194 HydrophobicContact CE1-CD1 4.32Å; Y191-I194 PolarHBondContact O-N 3.29Å; Y191-F195 WeakPolarHBondContact O-CB 3.4Å; Y191-F195 PolarHBondContact O-N 3.21Å; Y191-V422 WeakPolarHBondContact OH-CB 3.45Å; Y191-V422 WeakPolarHBondContact OH-CG1 3.41Å; Y191-A423 HydrophobicContact CD1-CB 3.85Å; Y191-A423 HydrophobicContact CE1-CB 3.73Å; Y191-V426 HydrophobicContact CD2-CB 4.3Å; Y191-V426 HydrophobicContact CD2-CG1 3.83Å; Y191-V426 HydrophobicContact CD2-CG2 4.09Å; Y191-V426 HydrophobicContact CE2-CB 3.91Å; Y191-V426 HydrophobicContact CE2-CG1 3.89Å; Y191-V426 HydrophobicContact CE2-CG2 3.26Å
192I94.8Very high92.7Very high94 Ų9468.9 Ų68.948%0.48232%0.315SS..Hα-helixtrans-58.2-48.8171.5-69.9165.8000109.6S188 F189 I190 I194 F195 Y196S188-I192 WeakPolarHBondContact O-CB 3.28Å; S188-I192 WeakPolarHBondContact O-CD1 3.28Å; S188-I192 WeakPolarHBondContact O-CG1 3.22Å; S188-I192 PolarHBondContact O-N 2.9Å; F189-I192 PolarHBondContact O-N 3.09Å; I190-I192 PolarHBondContact O-N 3.24Å; I192-I194 PolarHBondContact O-N 3.47Å; I192-F195 PolarHBondContact O-N 3.01Å; I192-Y196 HydrophobicContact CG2-CD2 3.79Å; I192-Y196 HydrophobicContact CG2-CE2 3.45Å; I192-Y196 VanDerWaalsContact CG2-CE2 3.45Å; I192-Y196 WeakPolarHBondContact O-CD2 3.13Å; I192-Y196 PolarHBondContact O-N 3.02Å; I192-Y196 VanDerWaalsContact O-N 3.1Å
193R95.2Very high92.1Very high131 Ų13168 Ų6849%0.49431%0.312SS..Hα-helixtrans-61.4-44.2176.6-72.3-66.6-147.1176.45.2112.6Y114 F189 I190 Y191 F195 Y196 V197Y114-R193 HydrophobicContact CD2-CB 4.45Å; Y114-R193 HydrophobicContact CE2-CB 3.86Å; F189-R193 HydrophobicContact CE1-CG 4.14Å; F189-R193 HydrophobicContact CE2-CG 4.29Å; F189-R193 HydrophobicContact CZ-CG 4.01Å; F189-R193 WeakPolarHBondContact O-CG 3.25Å; F189-R193 PolarHBondContact O-N 2.93Å; I190-R193 WeakPolarHBondContact O-CB 3.25Å; I190-R193 PolarHBondContact O-N 3.33Å; Y191-R193 VanDerWaalsContact C-N 3.33Å; Y191-R193 PolarHBondContact O-N 3.49Å; R193-F195 VanDerWaalsContact C-N 3.33Å; R193-F195 PolarHBondContact O-N 2.98Å; R193-Y196 PolarHBondContact O-N 2.88Å; R193-V197 VanDerWaalsContact O-CG2 3.29Å; R193-V197 WeakPolarHBondContact O-CG2 3.22Å; R193-V197 PolarHBondContact O-N 3.34Å; R193-V197 VanDerWaalsContact O-N 3.07Å
194I93.4Very high91.4Very high3 Ų371.6 Ų71.62%0.01533%0.328CS..Hα-helixtrans-58.1-46.6176.5-73175.1000110.6R113 Y114 I117 I190 Y191 I192 Y196 V197 I198 V419R113-I194 HydrophobicContact CB-CD1 4.18Å; Y114-I194 HydrophobicContact CD2-CG1 3.93Å; I117-I194 HydrophobicContact CD1-CB 4.29Å; I117-I194 HydrophobicContact CD1-CD1 4.23Å; I117-I194 HydrophobicContact CD1-CG1 4.03Å; I117-I194 HydrophobicContact CD1-CG2 3.45Å; I117-I194 VanDerWaalsContact CD1-CG2 3.45Å; I190-I194 HydrophobicContact CG2-CD1 3.74Å; I190-I194 HydrophobicContact CG2-CG1 4.28Å; I190-I194 VanDerWaalsContact O-CG1 3.31Å; I190-I194 WeakPolarHBondContact O-CG1 3.26Å; I190-I194 PolarHBondContact O-N 2.98Å; Y191-I194 HydrophobicContact CD1-CD1 4.35Å; Y191-I194 HydrophobicContact CE1-CD1 4.32Å; Y191-I194 PolarHBondContact O-N 3.29Å; I192-I194 PolarHBondContact O-N 3.47Å; I194-Y196 PolarHBondContact O-N 3.01Å; I194-V197 PolarHBondContact O-N 2.97Å; I194-I198 HydrophobicContact CG2-CD1 3.7Å; I194-I198 HydrophobicContact CG2-CG1 4.35Å; I194-I198 WeakPolarHBondContact O-CG1 3.02Å; I194-I198 PolarHBondContact O-N 3.47Å; I194-V419 HydrophobicContact CG2-CG1 3.55Å
195F93.4Very high90.4Very high120 Ų12073.3 Ų73.353%0.52634%0.337SS..Hα-helixtrans-58.6-48.2179.3175.6-100.7000111.6Y191 I192 R193 V197 I198 R199Y191-F195 WeakPolarHBondContact O-CB 3.4Å; Y191-F195 PolarHBondContact O-N 3.21Å; I192-F195 PolarHBondContact O-N 3.01Å; R193-F195 VanDerWaalsContact C-N 3.33Å; R193-F195 PolarHBondContact O-N 2.98Å; F195-V197 VanDerWaalsContact C-N 3.35Å; F195-V197 PolarHBondContact O-N 3.43Å; F195-I198 PolarHBondContact O-N 2.68Å; F195-R199 WeakPolarHBondContact O-CB 3.4Å; F195-R199 PolarHBondContact O-N 3.24Å
196Y93.4Very high89.5Confident148 Ų14876.8 Ų76.858%0.5835%0.345SS*.Hα-helixtrans-60.3-42.3177.4-77.4-62.5000112.6I192 R193 I194 R199 R200I192-Y196 HydrophobicContact CG2-CD2 3.79Å; I192-Y196 HydrophobicContact CG2-CE2 3.45Å; I192-Y196 VanDerWaalsContact CG2-CE2 3.45Å; I192-Y196 WeakPolarHBondContact O-CD2 3.13Å; I192-Y196 PolarHBondContact O-N 3.02Å; I192-Y196 VanDerWaalsContact O-N 3.1Å; R193-Y196 PolarHBondContact O-N 2.88Å; I194-Y196 PolarHBondContact O-N 3.01Å; Y196-R199 PolarHBondContact O-N 3.49Å; Y196-R200 WeakPolarHBondContact O-CB 3.35Å; Y196-R200 PolarHBondContact O-N 3.39Å
197V90.7Very high88.5Confident33 Ų3377.5 Ų77.520%0.235%0.353CS..Hα-helixtrans-67.4-42179.3173.50000111.8I117 I118 R193 I194 F195 R200 R201I117-V197 HydrophobicContact CG2-CB 4.42Å; I117-V197 HydrophobicContact CG2-CG1 3.72Å; I118-V197 HydrophobicContact CD1-CB 4.07Å; I118-V197 HydrophobicContact CD1-CG1 3.9Å; I118-V197 HydrophobicContact CD1-CG2 3.38Å; R193-V197 VanDerWaalsContact O-CG2 3.29Å; R193-V197 WeakPolarHBondContact O-CG2 3.22Å; R193-V197 PolarHBondContact O-N 3.34Å; R193-V197 VanDerWaalsContact O-N 3.07Å; I194-V197 PolarHBondContact O-N 2.97Å; F195-V197 VanDerWaalsContact C-N 3.35Å; F195-V197 PolarHBondContact O-N 3.43Å; V197-R200 PolarHBondContact O-N 3.35Å; V197-R201 WeakPolarHBondContact O-CG 3.23Å; V197-R201 PolarHBondContact O-N 2.72Å
198I89.6Confident86.9Confident22 Ų2280.4 Ų80.411%0.11338%0.383CS..Hα-helixtrans-63.8-43.4175.7-71.1175.5000110.5I117 I194 F195 R200 R201 S202 Y412 K416 V419I117-I198 HydrophobicContact CD1-CD1 4.22Å; I194-I198 HydrophobicContact CG2-CD1 3.7Å; I194-I198 HydrophobicContact CG2-CG1 4.35Å; I194-I198 WeakPolarHBondContact O-CG1 3.02Å; I194-I198 PolarHBondContact O-N 3.47Å; F195-I198 PolarHBondContact O-N 2.68Å; I198-R200 PolarHBondContact O-N 3.4Å; I198-R201 PolarHBondContact O-N 3.06Å; I198-S202 VanDerWaalsContact O-CB 3.32Å; I198-S202 WeakPolarHBondContact O-CB 3.06Å; I198-S202 PolarHBondContact O-N 3.29Å; I198-Y412 PolarHBondContact O-OH 3.4Å; I198-K416 HydrophobicContact CG2-CD 4.27Å; I198-K416 HydrophobicContact CG2-CG 4.32Å; I198-V419 HydrophobicContact CD1-CB 4.24Å; I198-V419 HydrophobicContact CD1-CG1 3.78Å; I198-V419 HydrophobicContact CD1-CG2 4.43Å
199R89.7Confident84.8Confident152 Ų15286.1 Ų86.157%0.57440%0.402SS*.Hα-helixtrans-60.7-46.4177.8-174.7173178.5138.8-1.4111.1F195 Y196 S202 N203F195-R199 WeakPolarHBondContact O-CB 3.4Å; F195-R199 PolarHBondContact O-N 3.24Å; Y196-R199 PolarHBondContact O-N 3.49Å; R199-S202 PolarHBondContact O-N 2.95Å; R199-N203 PolarHBondContact O-N 3.16Å; R199-N203 VanDerWaalsContact O-N 3.07Å; R199-N203 PolarHBondContact O-OD1 3.17Å
200R88.8Confident82.5Confident162 Ų16285.2 Ų85.261%0.61141%0.407SS*.Hα-helixtrans-57.7-50.9175.7-178.9177.8173.8163.36.2112.1Y196 V197 I198 S202 N203 E204Y196-R200 WeakPolarHBondContact O-CB 3.35Å; Y196-R200 PolarHBondContact O-N 3.39Å; V197-R200 PolarHBondContact O-N 3.35Å; I198-R200 PolarHBondContact O-N 3.4Å; R200-S202 VanDerWaalsContact C-N 3.31Å; R200-S202 PolarHBondContact O-N 3.24Å; R200-N203 WeakPolarHBondContact O-CB 3.41Å; R200-N203 PolarHBondContact O-N 3.23Å; R200-N203 VanDerWaalsContact O-N 3.12Å; R200-E204 WeakPolarHBondContact CG-OE1 3.32Å; R200-E204 IonicContact NE-OE1 3.74Å; R200-E204 PolarHBondContact NE-OE1 3.46Å; R200-E204 VanDerWaalsContact NE-OE1 3.15Å; R200-E204 WeakPolarHBondContact O-CG 3.18Å; R200-E204 PolarHBondContact O-N 3.15Å
201R83.5Confident80.4Confident56 Ų5689.1 Ų89.121%0.21143%0.428CS..Hα-helixtrans-63.7-35.7178.5-74.3-177.3177.2173.45.9113I117 V197 I198 N203 E204 L205 Y412I117-R201 PolarHBondContact O-NH1 2.66Å; I117-R201 PolarHBondContact O-NH2 3.3Å; V197-R201 WeakPolarHBondContact O-CG 3.23Å; V197-R201 PolarHBondContact O-N 2.72Å; I198-R201 PolarHBondContact O-N 3.06Å; R201-N203 VanDerWaalsContact C-N 3.27Å; R201-N203 PolarHBondContact O-N 2.92Å; R201-E204 PolarHBondContact O-N 2.99Å; R201-L205 WeakPolarHBondContact O-CB 3.43Å; R201-L205 WeakPolarHBondContact O-CG 3.48Å; R201-L205 PolarHBondContact O-N 3.05Å; R201-Y412 HydrophobicContact CB-CE2 3.96Å
202S83.8Confident77.7Confident29 Ų2994.3 Ų94.320%0.20346%0.456CS..Hα-helixtrans-63.9-35.6175.2-168.50000111.7I198 R199 R200 K206 Y412I198-S202 VanDerWaalsContact O-CB 3.32Å; I198-S202 WeakPolarHBondContact O-CB 3.06Å; I198-S202 PolarHBondContact O-N 3.29Å; R199-S202 PolarHBondContact O-N 2.95Å; R200-S202 VanDerWaalsContact C-N 3.31Å; R200-S202 PolarHBondContact O-N 3.24Å; S202-K206 WeakPolarHBondContact O-CG 3.34Å; S202-K206 PolarHBondContact O-N 3.18Å; S202-Y412 PolarHBondContact N-OH 3.45Å
203N82.7Confident74.9Confident82 Ų8294.6 Ų94.644%0.43946%0.459SS..Hα-helixtrans-72.1-43.4176.7-67.5-7.6000110.9R199 R200 R201 L205 K206 T207R199-N203 PolarHBondContact O-N 3.16Å; R199-N203 VanDerWaalsContact O-N 3.07Å; R199-N203 PolarHBondContact O-OD1 3.17Å; R200-N203 WeakPolarHBondContact O-CB 3.41Å; R200-N203 PolarHBondContact O-N 3.23Å; R200-N203 VanDerWaalsContact O-N 3.12Å; R201-N203 VanDerWaalsContact C-N 3.27Å; R201-N203 PolarHBondContact O-N 2.92Å; N203-L205 VanDerWaalsContact C-N 3.32Å; N203-L205 PolarHBondContact O-N 3.35Å; N203-K206 PolarHBondContact O-N 3.11Å; N203-K206 VanDerWaalsContact O-N 3.08Å; N203-T207 WeakPolarHBondContact O-CG2 3.27Å; N203-T207 PolarHBondContact O-N 3.26Å; N203-T207 PolarHBondContact O-OG1 3.2Å
204E78.3Confident72.3Confident79 Ų7993.1 Ų93.137%0.36946%0.46SS..Hα-helixtrans-57.6-43.7175.6-69.7168.1-174.400111.6R200 R201 K206 T207 G208R200-E204 WeakPolarHBondContact CG-OE1 3.32Å; R200-E204 IonicContact NE-OE1 3.74Å; R200-E204 PolarHBondContact NE-OE1 3.46Å; R200-E204 VanDerWaalsContact NE-OE1 3.15Å; R200-E204 WeakPolarHBondContact O-CG 3.18Å; R200-E204 PolarHBondContact O-N 3.15Å; R201-E204 PolarHBondContact O-N 2.99Å; E204-K206 VanDerWaalsContact C-N 3.31Å; E204-K206 PolarHBondContact O-N 2.87Å; E204-T207 PolarHBondContact O-N 3.41Å; E204-T207 PolarHBondContact O-OG1 3.27Å; E204-G208 PolarHBondContact O-N 3.32Å
205L74.4Confident69.8Low54 Ų54101.3 Ų101.328%0.28350%0.496SS..Hα-helixtrans-66.3-27.4176.4-74169.1000114.2R201 N203 Y412R201-L205 WeakPolarHBondContact O-CB 3.43Å; R201-L205 WeakPolarHBondContact O-CG 3.48Å; R201-L205 PolarHBondContact O-N 3.05Å; N203-L205 VanDerWaalsContact C-N 3.32Å; N203-L205 PolarHBondContact O-N 3.35Å; L205-Y412 HydrophobicContact CD1-CD1 3.54Å; L205-Y412 HydrophobicContact CD1-CE1 3.55Å; L205-Y412 HydrophobicContact CD1-CG 4.09Å
206K76.5Confident67.2Low168 Ų168102.6 Ų102.673%0.7350%0.504SS*.Hα-helixtrans-77.7-37.7174.8-75.6177177.3-170.70111.7S202 N203 E204 G208S202-K206 WeakPolarHBondContact O-CG 3.34Å; S202-K206 PolarHBondContact O-N 3.18Å; N203-K206 PolarHBondContact O-N 3.11Å; N203-K206 VanDerWaalsContact O-N 3.08Å; E204-K206 VanDerWaalsContact C-N 3.31Å; E204-K206 PolarHBondContact O-N 2.87Å; K206-G208 PolarHBondContact O-N 3.37Å
207T74.7Confident64.6Low93 Ų93102.2 Ų102.257%0.57151%0.507SS*.THydrogen-bonded Turntrans-76.2-3.3-177.856.60000115N203 E204 K209N203-T207 WeakPolarHBondContact O-CG2 3.27Å; N203-T207 PolarHBondContact O-N 3.26Å; N203-T207 PolarHBondContact O-OG1 3.2Å; E204-T207 PolarHBondContact O-N 3.41Å; E204-T207 PolarHBondContact O-OG1 3.27Å; T207-K209 PolarHBondContact O-N 3.05Å
208G61.2Low62.1Low64 Ų64110.4 Ų110.466%0.6653%0.534SS*.THydrogen-bonded Turntrans65.47.9175.100000115.6E204 K206E204-G208 PolarHBondContact O-N 3.32Å; K206-G208 PolarHBondContact O-N 3.37Å
209K50.6Low59.5Low167 Ų167117 Ų11773%0.72656%0.564SS**  trans-59.5123.7178.2-78.5-175.5176.4-179.50109.6T207 I211T207-K209 PolarHBondContact O-N 3.05Å; K209-I211 PolarHBondContact O-N 3.12Å
210P47.3Very low56.8Low92 Ų92111.5 Ų111.560%0.59756%0.555SS**  trans-61.3125.417424.7-30.9000107.6L212P210-L212 HydrophobicContact CB-CD1 4.2Å; P210-L212 HydrophobicContact CG-CD1 4.19Å; P210-L212 PolarHBondContact O-N 3.4Å
211I52.2Low54.2Low94 Ų94109.2 Ų109.248%0.48256%0.564SS.*  trans-73.766.2172-56.7166.9000107.2K209 L214K209-I211 PolarHBondContact O-N 3.12Å; I211-L214 HydrophobicContact CG2-CD1 4.29Å; I211-L214 HydrophobicContact CG2-CG 4.42Å
212L37.3Very low51.8Low137 Ų137115.7 Ų115.772%0.71759%0.594SS**  trans-74.8133.3154.9-80.5149.8000105.3P210P210-L212 HydrophobicContact CB-CD1 4.2Å; P210-L212 HydrophobicContact CG-CD1 4.19Å; P210-L212 PolarHBondContact O-N 3.4Å
213D37.1Very low49.4Very low101 Ų101122.7 Ų122.754%0.5462%0.621SS.*  trans85.456.8178.9-55.6-38.9000119.8K215 E216D213-K215 PolarHBondContact O-N 2.98Å; D213-E216 HydrophobicContact CB-CB 4.2Å
214L40.9Very low47Very low99 Ų99126.1 Ų126.152%0.51864%0.639SS.*THydrogen-bonded Turntrans-71.62.9147.7-95.6155.2000113.4I211I211-L214 HydrophobicContact CG2-CD1 4.29Å; I211-L214 HydrophobicContact CG2-CG 4.42Å
215K39Very low44.7Very low175 Ų175129 Ų12976%0.76166%0.656SS**THydrogen-bonded Turntrans-89.3-19.9175.7-141179-178.6-172.60112.9D213D213-K215 PolarHBondContact O-N 2.98Å
216E40.5Very low42.6Very low148 Ų148135.3 Ų135.369%0.69268%0.681SS**THydrogen-bonded Turntrans-101.1-13.8-171.9-152160.1-15300114.7D213 R218D213-E216 HydrophobicContact CB-CB 4.2Å; E216-R218 PolarHBondContact O-N 3.41Å
217Q37.6Very low40.3Very low139 Ų139135 Ų13565%0.6569%0.687SS**THydrogen-bonded Turntrans-68.90.6168.4-89.2-169.1-20.500114.3H219Q217-H219 VanDerWaalsContact C-N 3.29Å; Q217-H219 PolarHBondContact O-N 2.94Å
218R37.5Very low38Very low206 Ų206133.8 Ų133.878%0.77769%0.687SS**THydrogen-bonded Turntrans-72.9-16.5-176.3-148.6172-172.8160.4-0.7113.8E216E216-R218 PolarHBondContact O-N 3.41Å
219H35.3Very low36.5Very low159 Ų159137.7 Ų137.774%0.73669%0.693SS**THydrogen-bonded Turntrans-137.8-4.8-179.6-65.693.5000114.8Q217 S221Q217-H219 VanDerWaalsContact C-N 3.29Å; Q217-H219 PolarHBondContact O-N 2.94Å; H219-S221 PolarHBondContact O-N 3.4Å
220G33.3Very low35.4Very low38 Ų38136.8 Ų136.839%0.39270%0.696SS.*THydrogen-bonded Turntrans-80.6-12.3-169.200000117.1
221S34.9Very low34.5Very low114 Ų114139 Ų13980%0.79770%0.701SS**THydrogen-bonded Turntrans-89.3-7.6-176.2-148.10000114.4H219H219-S221 PolarHBondContact O-N 3.4Å
222F32.7Very low33.3Very low192 Ų192144.9 Ų144.984%0.84272%0.719SS**SBendtrans-105-13.6177.4-142.1-95.9000112.9
223K33Very low32.9Very low175 Ų175144.1 Ų144.176%0.76172%0.716SS**SBendtrans-91.7-8.3179.8-117-178.8179.8-176.10114.7L225K223-L225 VanDerWaalsContact C-N 3.26Å; K223-L225 PolarHBondContact O-N 3.33Å
224L33.5Very low32.5Very low155 Ų155148.4 Ų148.481%0.81273%0.732SS**THydrogen-bonded Turntrans-86.38.1-178.2-107.2147.5000113.9
225L29.3Very low32.1Very low139 Ų139147.6 Ų147.673%0.72874%0.735SS**THydrogen-bonded Turntrans-103.3-7.4173.5-81.5160000113.3K223K223-L225 VanDerWaalsContact C-N 3.26Å; K223-L225 PolarHBondContact O-N 3.33Å
226F29.6Very low31.8Very low187 Ų187148.4 Ų148.482%0.8274%0.739SS**SBendtrans-152.786.7179.6-69.9-85.4000110.4
227N28Very low31.3Very low160 Ų160152.1 Ų152.186%0.85675%0.746SS**  trans-168114130.9-146.34.9000110.2
228A27.9Very low31.2Very low69 Ų69154.2 Ų154.257%0.5776%0.756SS**  trans-78.9160.7164.500000109.4
229N30.1Very low31Very low145 Ų145153.9 Ų153.978%0.77576%0.76SS**  trans81.9107.2165.9-49.5-23000114.5
230N25.9Very low30.9Very low149 Ų149154 Ų15480%0.79776%0.763SS**  62.8136.683.5-97-9.2000112.9
231I29Very low30.9Very low138 Ų138159.2 Ų159.271%0.70878%0.782SS**  trans95.2106.3155.8-63.4151.7000116.5
232Y27Very low30.7Very low217 Ų217165.1 Ų165.185%0.85179%0.787SS**  trans59.7153.7143.1-68.3-106.3000117.1
233D28.3Very low30.5Very low122 Ų122165.6 Ų165.665%0.65279%0.789SS**  cis-159.3152.320178.732.2000108.4S235D233-S235 PolarHBondContact O-N 2.64Å; D233-S235 WeakPolarHBondContact OD2-CB 3.46Å; D233-S235 PolarHBondContact OD2-OG 2.82Å
234H28.5Very low30.4Very low190 Ų190162.4 Ų162.488%0.8879%0.789SS**  trans-98.670.5-175.3-165.8-77.8000110.4
235S33Very low30.2Very low83 Ų83163.4 Ų163.458%0.5879%0.794SS**  trans-144.7-5.3-179.462.10000117.1D233D233-S235 PolarHBondContact O-N 2.64Å; D233-S235 WeakPolarHBondContact OD2-CB 3.46Å; D233-S235 PolarHBondContact OD2-OG 2.82Å
236F32.2Very low30.2Very low192 Ų192167.7 Ų167.784%0.84280%0.8SS**  trans-98.40.9-165.7-137.7-98.6000118.2
237R31.4Very low30.1Very low225 Ų225166.4 Ų166.485%0.84980%0.802SS**SBendtrans-93-8.6-170.7-161.5168.5-89.5-139-0.2115.7K239R237-K239 PolarHBondContact O-N 2.73Å
238H34.1Very low30.3Very low184 Ų184164.1 Ų164.185%0.85280%0.798SS**THydrogen-bonded Turntrans-81.3-5.2-176.1-116.8-78.3000115.9
239K34Very low30.7Very low199 Ų199166.5 Ų166.587%0.86581%0.811SS**THydrogen-bonded Turntrans-105.5-5.5-177.9-114.8173.5-179.1175.60115.7R237R237-K239 PolarHBondContact O-N 2.73Å
240M33.8Very low30.9Very low160 Ų160167.8 Ų167.879%0.78881%0.81SS**G310 helixtrans-87.3-9.3-178-107.9-174.5175.800115.1R242M240-R242 VanDerWaalsContact C-N 3.27Å; M240-R242 PolarHBondContact O-N 2.84Å
241N33.3Very low31.2Very low149 Ų149168.4 Ų168.480%0.79781%0.812SS**G310 helixtrans-79.68.3-175.9-82.1-10.6000115.6
242R29.2Very low31.1Very low237 Ų237170.4 Ų170.489%0.89481%0.81SS**G310 helixtrans-115.2-2.3177.9-81.3-170.6-157.7-1787.1116.4M240M240-R242 VanDerWaalsContact C-N 3.27Å; M240-R242 PolarHBondContact O-N 2.84Å
243F30.2Very low31.2Very low202 Ų202167.3 Ų167.389%0.88681%0.808SS**SBendtrans-122.38.2-170.7-104.7-86.4000117.1
244S30.9Very low31.1Very low109 Ų109169.8 Ų169.876%0.76281%0.813SS**  trans-112.251.9174.881.50000113.2
245L27.9Very low31.3Very low175 Ų175166 Ų16692%0.91680%0.803SS**  trans-114.864.1163.2-107.8115.9000109.2
246R29Very low31.1Very low230 Ų230167.6 Ų167.687%0.86881%0.809SS**SBendtrans-160.4120162.2-130.2170.6177.5-173-1.5110.2
247N28.5Very low30.9Very low159 Ų159165.9 Ų165.985%0.8581%0.809SS**  trans60.288.6165.1-66.4-12.6000118.5
248S32.7Very low30.9Very low112 Ų112159.4 Ų159.478%0.78380%0.798SS**  trans-151.5105.7140.2-168.30000109.7K250S248-K250 PolarHBondContact O-N 3.42Å
249S34.7Very low30.7Very low120 Ų120157.6 Ų157.684%0.83980%0.8SS**  trans-51.2121.9173.429.50000111
250K35.3Very low30.5Very low172 Ų172155.7 Ų155.775%0.74879%0.794SS**  trans-71.6120.6-178.7-74173.9174.6172.80110.3S248 R252S248-K250 PolarHBondContact O-N 3.42Å; K250-R252 HydrophobicContact CB-CG 4.41Å; K250-R252 PolarHBondContact O-N 2.8Å
251I31.2Very low30.1Very low162 Ų162153.1 Ų153.183%0.83179%0.792SS**  trans-71.1107.3155.7-64.5172000106.4
252R28.6Very low29.9Very low179 Ų179151.5 Ų151.568%0.67578%0.783SS**  trans-98.4116.5167.5-70.7-171.1-167.9-170.96108.3K250 F254K250-R252 HydrophobicContact CB-CG 4.41Å; K250-R252 PolarHBondContact O-N 2.8Å; R252-F254 HydrophobicContact CB-CD2 4.47Å; R252-F254 HydrophobicContact CB-CE2 4.08Å
253L27.8Very low29.8Very low153 Ų153147.2 Ų147.280%0.80178%0.777SS**  trans-84.6114.6168.7-100.9143.8000108.2
254F27.8Very low29.8Very low173 Ų173144.3 Ų144.376%0.75977%0.765SS**  trans-92.5123.9165.7-72.6-89.4000108.1R252R252-F254 HydrophobicContact CB-CD2 4.47Å; R252-F254 HydrophobicContact CB-CE2 4.08Å
255V30.7Very low29.8Very low111 Ų111145.1 Ų145.167%0.67377%0.765SS**  trans-116.1117.4168.6177.70000105.9
256T30.7Very low29.7Very low117 Ų117141.7 Ų141.772%0.71876%0.762SS**  trans-81.8138.4175.459.30000109.3S258T256-S258 PolarHBondContact O-N 2.95Å; T256-S258 VanDerWaalsContact O-N 3.13Å
257N27.2Very low29.7Very low155 Ų155139.9 Ų139.983%0.82976%0.756SS**  trans-74.994.6174-114-0.1000107.8
258S32Very low29.8Very low89 Ų89138.3 Ų138.362%0.62275%0.752SS**  trans-125.2126.4156.963.90000108.8T256 Q260T256-S258 PolarHBondContact O-N 2.95Å; T256-S258 VanDerWaalsContact O-N 3.13Å; S258-Q260 PolarHBondContact O-N 3.4Å
259T28.9Very low29.7Very low146 Ų146137.6 Ų137.690%0.89675%0.745SS**SBendtrans-6964.417742.40000109.8
260Q29.6Very low29.4Very low160 Ų160143.4 Ų143.475%0.74875%0.749SS**SBendtrans-165.4128.2162.7-108.3168.223.700109.3S258 N262S258-Q260 PolarHBondContact O-N 3.4Å; Q260-N262 PolarHBondContact O-N 2.04Å
261S26.6Very low29.3Very low106 Ų106140.9 Ų140.974%0.74175%0.748SS**  trans-60.692.3-171.831.50000114.1
262N28.5Very low29.2Very low114 Ų114142.8 Ų142.861%0.6175%0.751SS**  trans-141.4122.9162-73.9-42.8000110Q260 F264Q260-N262 PolarHBondContact O-N 2.04Å; N262-F264 HydrophobicContact CB-CD2 4.42Å; N262-F264 HydrophobicContact CB-CE2 3.72Å; N262-F264 HydrophobicContact CB-CZ 4.14Å
263L28.2Very low29.4Very low147 Ų147142.5 Ų142.577%0.7776%0.756SS**  trans-98.1111.6173.2-175.176.7000109V265L263-V265 HydrophobicContact CD2-CG2 4.42Å
264F29.9Very low29.6Very low142 Ų142144.1 Ų144.162%0.62376%0.757SS**  trans-92.2131.5169.8-60.7-88.3000109.5N262 M318N262-F264 HydrophobicContact CB-CD2 4.42Å; N262-F264 HydrophobicContact CB-CE2 3.72Å; N262-F264 HydrophobicContact CB-CZ 4.14Å; F264-M318 HydrophobicContact CD1-SD 3.98Å; F264-M318 HydrophobicContact CE1-SD 3.99Å
265V29.6Very low29.7Very low126 Ų126143.4 Ų143.476%0.76476%0.761SS**  trans-114.7103.2168.4179.30000107.1L263L263-V265 HydrophobicContact CD2-CG2 4.42Å
266A27Very low29.8Very low103 Ų103144.7 Ų144.785%0.85177%0.769SS**  trans-77.7129.7169.300000109.5
267Y28.6Very low29.8Very low191 Ų191147.6 Ų147.675%0.74977%0.774SS**  trans-110.8122.8169.9178.4-99.1000108.1P269Y267-P269 HydrophobicContact CE1-CB 4.37Å
268T29.8Very low29.9Very low126 Ų126149.5 Ų149.577%0.77378%0.775SS**  trans-88.1121.9166.943.60000109
269P30.5Very low29.9Very low98 Ų98153.3 Ų153.364%0.63679%0.789SS**  trans-65.8136.2172.3-9.223.9000109.3Y267 T271Y267-P269 HydrophobicContact CE1-CB 4.37Å; P269-T271 PolarHBondContact O-N 3.1Å
270R29.1Very low29.9Very low241 Ų241152.2 Ų152.291%0.90978%0.782SS**  trans-8195.1174.8-153-178.4-166.4-1702.3108.2K272R270-K272 PolarHBondContact O-N 2.94Å
271T33.2Very low30Very low120 Ų120150.4 Ų150.474%0.73678%0.781SS**  trans-72.3119.9166.742.30000108.7P269 H273P269-T271 PolarHBondContact O-N 3.1Å; T271-H273 PolarHBondContact O-N 3.07Å
272K29.8Very low30.1Very low202 Ų202151.7 Ų151.788%0.87878%0.78SS**  trans-73.5100.4167.9-80.3-178.5174.6-179.20107.3R270 K274R270-K272 PolarHBondContact O-N 2.94Å; K272-K274 PolarHBondContact O-N 3.26Å
273H32.2Very low30.3Very low173 Ų173155 Ų15580%0.80179%0.789SS**  trans-73.9114.6158.1-105.2-83.5000107.9T271 N275T271-H273 PolarHBondContact O-N 3.07Å; H273-N275 PolarHBondContact O-N 2.93Å
274K31.4Very low30.5Very low186 Ų186153 Ų15381%0.80979%0.787SS**  trans-63.6123.2162.9-79.2-179.8172.5-178.10107.1K272 V276K272-K274 PolarHBondContact O-N 3.26Å; K274-V276 PolarHBondContact O-N 3.29Å
275N30.7Very low30.4Very low158 Ų158153.6 Ų153.685%0.84580%0.796SS**  trans-67.6113.9162.1-72-20.7000106.7H273H273-N275 PolarHBondContact O-N 2.93Å
276V31.9Very low30.4Very low138 Ų138152.5 Ų152.584%0.83679%0.789SS**PPolyproline II helixtrans-86.4119162.1175.60000105.8K274K274-V276 PolarHBondContact O-N 3.29Å
277E32Very low30.6Very low179 Ų179155.3 Ų155.384%0.83679%0.785SS**PPolyproline II helixtrans-73.8151.1-176.6-160.7160-164.800110.3
278K28.1Very low30.5Very low194 Ų194150.7 Ų150.784%0.84378%0.781SS**PPolyproline II helixtrans-65.3126.7179.8-74.7172.3170.41790110.1
279D31.6Very low30.5Very low170 Ų170150.7 Ų150.791%0.90978%0.781SS**  trans-111.2122153.4-84.4-35.2000110.4
280T28.4Very low30.3Very low123 Ų123150.3 Ų150.376%0.75578%0.78SS**  trans-72.3149.3175.1-400000109
281V33Very low30.1Very low121 Ų121144.8 Ų144.873%0.73377%0.774SS**  trans164.7115135.3159.60000109.9
282N28.6Very low29.8Very low134 Ų134144.2 Ų144.272%0.71777%0.774SS**  trans38.6137.9139.9-61.1-22000119.6
283K33Very low29.6Very low183 Ų183139.8 Ų139.880%0.79677%0.769SS**  cis-179.8150.649.2-136.8161.8-172-176.50108.3
284S31.1Very low29.5Very low105 Ų105137.7 Ų137.773%0.73477%0.768SS**  trans66.9135142.368.30000118.1
285L28.1Very low29.4Very low154 Ų154135.5 Ų135.581%0.80677%0.765SS**  cis178.4160.78.7-164.873.6000107.3
286V30.8Very low29.3Very low103 Ų103136.9 Ų136.962%0.62476%0.764SS**  trans75.3133.3154.5-166.50000116.8
287Q31Very low29.1Very low163 Ų163140.3 Ų140.376%0.76276%0.761SS**  cis-162.8137.4-8.5-109.5162.3-33.300105.7
288S25.7Very low28.9Very low94 Ų94137.2 Ų137.266%0.65776%0.76SS**  5139.7128.438.50000117.1
289T29.4Very low29.1Very low126 Ų126135.7 Ų135.777%0.77376%0.756SS**  -173.9137.961.6-25.10000110.9
290S26.3Very low29.1Very low90 Ų90134.9 Ų134.963%0.62975%0.747SS**  trans37.3123.2139.563.80000123.8
291T25.7Very low29.3Very low125 Ų125134.9 Ų134.977%0.76774%0.741SS**  63.510812959.70000120.8
292S26.9Very low29.2Very low107 Ų107137.5 Ų137.575%0.74875%0.745SS**  144.5142.698.768.60000112.6
293S26.6Very low29.2Very low109 Ų109139.4 Ų139.476%0.76274%0.742SS**  trans78.9146.9160.880.70000118.5
294V30.1Very low29.1Very low130 Ų130135 Ų13579%0.78873%0.73SS**  trans93.379.1168.3-159.40000116.7
295N28.2Very low28.9Very low139 Ų139139.7 Ų139.774%0.74373%0.733SS**  44.7127.9112.8-113.1-15.5000118.9
296K29.7Very low29Very low188 Ų188136.3 Ų136.382%0.81772%0.723SS**  trans65.876.4154.5-62.6178.9174.9178.60116.9
297R27Very low29Very low209 Ų209138 Ų13879%0.78972%0.724SS**  trans-159.87151.8-131.5168.5177.2173.4-1.9119.6
298S28.4Very low28.9Very low115 Ų115135.7 Ų135.780%0.80472%0.717SS**SBendtrans-103.60.1-168.4-45.60000116.1
299E32.3Very low29.1Very low162 Ų162136.1 Ų136.176%0.75772%0.72SS**SBendtrans-102.85.5176.2-74.5-170.5158.700114.7
300Q31.6Very low29.1Very low153 Ų153140.6 Ų140.672%0.71572%0.723SS**SBendtrans-105.5-4.1178-94.9-179-25.900114.7V304Q300-V304 WeakPolarHBondContact O-CG2 3.44Å
301I31.9Very low29.2Very low123 Ų123143.7 Ų143.763%0.63173%0.727SS**SBendtrans-101.7-16.7-175.4-63.3176.5000112.6
302E30.7Very low29.2Very low175 Ų175145.9 Ų145.982%0.81873%0.728SS**THydrogen-bonded Turntrans-90.8-9.7171.5-108.1176.6168.700114.5
303R28.1Very low29.2Very low174 Ų174144.8 Ų144.866%0.65773%0.726SS**THydrogen-bonded Turntrans-88.8-22.3172-105.1-177.8-85.6177-5.7114.1
304V31.8Very low29.3Very low92 Ų92148.1 Ų148.156%0.55873%0.729SS**THydrogen-bonded Turntrans-82.9-20.6179.7178.90000112.8Q300Q300-V304 WeakPolarHBondContact O-CG2 3.44Å
305Y26.5Very low29Very low202 Ų202151.9 Ų151.979%0.79274%0.735SS**THydrogen-bonded Turntrans-85-12.9173.6-99.7-90000114.3
306S30.2Very low29Very low84 Ų84152 Ų15259%0.58774%0.735SS**THydrogen-bonded Turntrans-93.8-10.7176.6-177.30000114
307E30.7Very low28.7Very low137 Ų137151.4 Ų151.464%0.6474%0.735SS**THydrogen-bonded Turntrans-105.1-22-177.9-81176.2154.500114S309E307-S309 PolarHBondContact O-N 2.88Å
308N29.3Very low28.7Very low116 Ų116147.9 Ų147.962%0.6273%0.729SS**G310 helixtrans-82-8.6174.2-91.7-5.9000115.1R310N308-R310 VanDerWaalsContact C-N 3.28Å; N308-R310 PolarHBondContact O-N 3.28Å
309S30.4Very low28.5Very low103 Ų103148 Ų14872%0.7272%0.724SS**G310 helixtrans-82.3-4.3173.4-57.60000113.4E307E307-S309 PolarHBondContact O-N 2.88Å
310R28.3Very low28.4Very low220 Ų220145.2 Ų145.283%0.8372%0.72SS**G310 helixtrans-97.9-0.6177.9-79.1-176.5174.6174.2-0.2114.4N308N308-R310 VanDerWaalsContact C-N 3.28Å; N308-R310 PolarHBondContact O-N 3.28Å
311Q28.5Very low28.3Very low155 Ų155145.3 Ų145.372%0.72472%0.724SS**SBendtrans-120.715.3-179-74.9-174.4-12.100114.9
312H26.9Very low28.2Very low170 Ų170143.7 Ų143.779%0.78772%0.722SS**  trans-118.451.9167.9-84.131000111.2Q314H312-Q314 VanDerWaalsContact C-N 3.26Å; H312-Q314 PolarHBondContact O-N 3.36Å; H312-Q314 VanDerWaalsContact O-N 3.12Å
313A27Very low28.2Very low85 Ų85144 Ų14470%0.70273%0.726SS**  trans-75.987.615600000107.2F315A313-F315 PolarHBondContact O-N 2.91Å
314Q27.3Very low28.2Very low179 Ų179144.2 Ų144.284%0.83673%0.731SS**  trans-50.6117.9166.8-90.4178.2-14.800108.3H312 I316H312-Q314 VanDerWaalsContact C-N 3.26Å; H312-Q314 PolarHBondContact O-N 3.36Å; H312-Q314 VanDerWaalsContact O-N 3.12Å; Q314-I316 PolarHBondContact O-N 3.35Å
315F24.4Very low28.1Very low208 Ų208148.1 Ų148.191%0.91274%0.743SS**  trans-53.397.1174.3-82.7-99.6000109.6A313 Q317A313-F315 PolarHBondContact O-N 2.91Å; F315-Q317 PolarHBondContact O-N 3.27Å
316I27.2Very low28.1Very low142 Ų142148.7 Ų148.773%0.72874%0.744SS**  trans-82.8100.3162.3-61.9178000105.9Q314 M318Q314-I316 PolarHBondContact O-N 3.35Å; I316-M318 PolarHBondContact O-N 2.85Å
317Q24.1Very low28.1Very low176 Ų176150.6 Ų150.682%0.82275%0.752SS**  trans-63.498.9173.8-160.31731100108.8F315 V319F315-Q317 PolarHBondContact O-N 3.27Å; Q317-V319 PolarHBondContact O-N 2.97Å
318M26.3Very low28.2Very low135 Ų135149.9 Ų149.967%0.66576%0.757SS**  trans-79.1103.2174.5-73-171.7-97.900108.9F264 I316 P320F264-M318 HydrophobicContact CD1-SD 3.98Å; F264-M318 HydrophobicContact CE1-SD 3.99Å; I316-M318 PolarHBondContact O-N 2.85Å; M318-P320 WeakPolarHBondContact O-CD 3.37Å
319V25.6Very low28.2Very low116 Ų116154.2 Ų154.270%0.70377%0.771SS**  trans-77.8121.4173-1780000108.8Q317 I321Q317-V319 PolarHBondContact O-N 2.97Å; V319-I321 PolarHBondContact O-N 2.7Å
320P29.4Very low28.1Very low104 Ų104154.2 Ų154.268%0.67577%0.771SS**  trans-67.4130.3175.926-30.7000109.9M318 P322M318-P320 WeakPolarHBondContact O-CD 3.37Å; P320-P322 VanDerWaalsContact O-CD 3.31Å; P320-P322 WeakPolarHBondContact O-CD 3.43Å
321I29.1Very low28.2Very low155 Ų155150.7 Ų150.780%0.79577%0.768SS**  trans-91104.3162.3-58.8176.5000106.2V319 M323V319-I321 PolarHBondContact O-N 2.7Å; I321-M323 PolarHBondContact O-N 2.92Å
322P30Very low28.1Very low90 Ų90149.6 Ų149.658%0.58478%0.775SS**  trans-74.7117.1-176.9-623.2000109.5P320 F324P320-P322 VanDerWaalsContact O-CD 3.31Å; P320-P322 WeakPolarHBondContact O-CD 3.43Å; P322-F324 VanDerWaalsContact C-N 3.34Å; P322-F324 HydrophobicContact CB-CD2 4.08Å; P322-F324 HydrophobicContact CB-CE2 4.28Å; P322-F324 PolarHBondContact O-N 3.11Å
323M30.2Very low28.2Very low182 Ų182145.9 Ų145.990%0.89777%0.768SS**  trans-76.593.4154.5-95.5-162.3-69.400107.5I321 H325I321-M323 PolarHBondContact O-N 2.92Å; M323-H325 PolarHBondContact O-N 3.45Å
324F29.4Very low28.4Very low178 Ų178150 Ų15078%0.78178%0.778SS**  trans-59.6102.7171.5-99.8-88000110.4P322P322-F324 VanDerWaalsContact C-N 3.34Å; P322-F324 HydrophobicContact CB-CD2 4.08Å; P322-F324 HydrophobicContact CB-CE2 4.28Å; P322-F324 PolarHBondContact O-N 3.11Å
325H29.4Very low28.4Very low173 Ų173149 Ų14980%0.80178%0.777SS**  trans-87.898.1149.2-114-74.1000106.5M323 T327M323-H325 PolarHBondContact O-N 3.45Å; H325-T327 PolarHBondContact O-N 2.91Å
326R25.5Very low28.5Very low215 Ų215143.8 Ų143.881%0.81177%0.766SS**  trans-85.494.4167.7-163-179.1-149.11745.7106.8
327T30.9Very low28.7Very low124 Ų124141.9 Ų141.976%0.76177%0.765SS**  trans-86.2110.3158.638.20000106.9H325H325-T327 PolarHBondContact O-N 2.91Å
328T33.1Very low28.9Very low122 Ų122142.7 Ų142.775%0.74877%0.767SS**  trans-66.8138.7167.440.90000109.3
329K28.5Very low29.2Very low206 Ų206140.8 Ų140.890%0.89676%0.764SS**  trans-46.7128.1176-69.6172.3169.5-178.30112.8
330S29.9Very low29.4Very low104 Ų104142 Ų14273%0.72777%0.765SS**  167.6147.6124.354.70000109.9
331D28.5Very low29.4Very low145 Ų145144.3 Ų144.378%0.77577%0.767SS**  trans92.497.3170-53.9-24.6000118.7
332P27.7Very low29.3Very low133 Ų133142.6 Ų142.686%0.86477%0.769SS**  trans-98.292163.234.5-21.6000110.2
333S29.7Very low29.4Very low92 Ų92144.2 Ų144.264%0.64377%0.772SS**  trans-168.599.8161.154.30000109
334D30.7Very low29.3Very low170 Ų170141.6 Ų141.691%0.90976%0.76SS**  trans-167.992.2139.7-93-21.9000109.2
335I26.2Very low29.4Very low160 Ų160140.5 Ų140.582%0.82176%0.758SS**  trans-74.5134.9167.3-68.6163.1000107.6
336S26.8Very low29.2Very low97 Ų97139.1 Ų139.168%0.67876%0.756SS**  150.8149.7121.659.60000113.6
337S31.3Very low29.3Very low102 Ų102134 Ų13471%0.71375%0.749SS**  trans92.8118.9168.172.90000117.9
338F29.2Very low29Very low194 Ų194136.1 Ų136.185%0.85175%0.751SS**  cis-172.3169.4-6.8-110.4-73.5000105.2
339P32.7Very low28.7Very low94 Ų94136.7 Ų136.761%0.6175%0.747SS**  -135.2-159.1-11627.7-0.3000115.7
340I28.8Very low28.7Very low143 Ų143134.6 Ų134.673%0.73374%0.741SS**  trans96.9125.6153.5-52.9163.1000114.1
341H29.4Very low28.5Very low152 Ų152135.3 Ų135.370%0.70474%0.741SS**  cis-157.6135.424.9-134.9-67.3000109.4
342S27.8Very low28.5Very low119 Ų119132.6 Ų132.683%0.83273%0.733SS**  trans-159.8107.1148.761.70000110.5
343N30.9Very low28.6Very low123 Ų123134.4 Ų134.466%0.65873%0.73SS**  trans-71152.4160.3-770.1000108.2
344I29.6Very low28.6Very low127 Ų127136.8 Ų136.865%0.65174%0.741SS**  cis-168.9141.67-103.3162000106.1
345E30.3Very low28.7Very low155 Ų155133.8 Ų133.872%0.72474%0.74SS**  trans43.7122.3149.1-72.3172135.200122.2
346N26.1Very low28.9Very low145 Ų145133.1 Ų133.178%0.77574%0.738SS**  67.5138.975.4-68.5-6.6000112.1
347T27.3Very low29.2Very low108 Ų108133.8 Ų133.866%0.66374%0.738SS**  cis-168.4137.3-6.3-68.90000104.5
348E24.2Very low29.4Very low168 Ų168137.1 Ų137.179%0.78575%0.746SS**  trans7.5136138.6-119.8168.1-14200119.4
349I26.9Very low29.8Very low133 Ų133131.9 Ų131.968%0.68273%0.727SS**  149.3128122-83.2155.9000117.9
350H28.4Very low30Very low163 Ų163135.7 Ų135.776%0.75573%0.734SS**  trans71.2103.7145.7-75.7-51.8000125.1
351T25.8Very low30.7Very low118 Ų118134.8 Ų134.872%0.72474%0.735SS**  56.2137.1118.925.50000125.4
352S28.8Very low31.3Very low89 Ų89131.9 Ų131.962%0.62273%0.728SS**  trans77.7105.8144.7-90.40000118.7
353Q30.3Very low32Very low170 Ų170129.2 Ų129.279%0.79470%0.704SS**  91.4112.882.9-88.1-179-12.300110.9
354T29.5Very low32.6Very low143 Ų143126.3 Ų126.388%0.87770%0.697SS**  163.5113.2124.135.30000109.3
355A32.8Very low33.3Very low106 Ų106122.9 Ų122.988%0.87669%0.685SS**  trans172.678145.400000108.4
356D30.1Very low34.1Very low147 Ų147121 Ų12179%0.78668%0.677SS**  trans-72.4144168.7-98.1-43.8000110.3
357T32.7Very low35Very low111 Ų111118.4 Ų118.468%0.68166%0.663SS**SBendtrans101.142.3148.6-18.70000119.9
358I36.4Very low36.2Very low172 Ų172117.9 Ų117.988%0.88266%0.656SS**SBendtrans-134.2-11.7151.6-63.4-173.6000114.1K360I358-K360 PolarHBondContact O-N 3.18Å
359D37.1Very low37.7Very low83 Ų83118.1 Ų118.144%0.44465%0.65SS.*  trans-95.48.6-161.5-139.5-7.3000117.5T361 V362 D363D359-T361 VanDerWaalsContact C-N 3.26Å; D359-T361 PolarHBondContact O-N 3.34Å; D359-V362 PolarHBondContact O-N 2.92Å; D359-D363 WeakPolarHBondContact CB-OD2 3.21Å; D359-D363 WeakPolarHBondContact O-CB 3.23Å; D359-D363 PolarHBondContact O-N 3.38Å
360K37.8Very low38.8Very low175 Ų175116 Ų11676%0.76164%0.639SS**THydrogen-bonded Turntrans-74.22.2-167.7-71.7-177178.9171.10116.8I358I358-K360 PolarHBondContact O-N 3.18Å
361T41.6Very low40Very low123 Ų123113.1 Ų113.176%0.75563%0.625SS**THydrogen-bonded Turntrans-124.2-17.3174.745.60000114.4D359D359-T361 VanDerWaalsContact C-N 3.26Å; D359-T361 PolarHBondContact O-N 3.34Å
362V42.3Very low41.8Very low91 Ų91111.7 Ų111.755%0.55261%0.613SS**Hα-helixtrans-90.5-31.7173.7-178.90000110.8D359 A364 S365 M366D359-V362 PolarHBondContact O-N 2.92Å; V362-A364 VanDerWaalsContact C-N 3.32Å; V362-A364 PolarHBondContact O-N 3.44Å; V362-S365 PolarHBondContact O-N 2.89Å; V362-M366 PolarHBondContact O-N 3.44Å; V362-M366 VanDerWaalsContact O-N 3.08Å
363D42.5Very low43.3Very low63 Ų63113.2 Ų113.234%0.33761%0.61SS.*Hα-helixtrans-62.7-31176.2-83.1-30.1000114.4D359 N367D359-D363 WeakPolarHBondContact CB-OD2 3.21Å; D359-D363 WeakPolarHBondContact O-CB 3.23Å; D359-D363 PolarHBondContact O-N 3.38Å; D363-N367 VanDerWaalsContact O-CB 3.27Å; D363-N367 WeakPolarHBondContact O-CB 3.29Å; D363-N367 PolarHBondContact O-N 2.97Å
364A43.4Very low44.4Very low63 Ų63110.8 Ų110.852%0.52160%0.599SS.*Hα-helixtrans-70.3-39.2178.900000112.2V362 D368V362-A364 VanDerWaalsContact C-N 3.32Å; V362-A364 PolarHBondContact O-N 3.44Å; A364-D368 PolarHBondContact O-N 3.45Å
365S45.9Very low45.8Very low55 Ų55111 Ų11139%0.38558%0.583SS.*Hα-helixtrans-73.2-33.9176147.50000112V362 R369V362-S365 PolarHBondContact O-N 2.89Å; S365-R369 PolarHBondContact O-N 2.93Å; S365-R369 PolarHBondContact OG-NH2 3.16Å
366M45.7Very low47.4Very low115 Ų115112.8 Ų112.857%0.56757%0.574SS**Hα-helixtrans-75-38.1177.7-163.5166.67000111.8V362 R369 L370V362-M366 PolarHBondContact O-N 3.44Å; V362-M366 VanDerWaalsContact O-N 3.08Å; M366-R369 PolarHBondContact O-N 3.31Å; M366-L370 WeakPolarHBondContact O-CB 3.12Å; M366-L370 PolarHBondContact O-N 2.96Å
367N44.6Very low48.7Very low90 Ų90110 Ų11048%0.48156%0.559SS.*Hα-helixtrans-65.8-36.2174.2-109.7-26.7000113.1D363 L370 K371D363-N367 VanDerWaalsContact O-CB 3.27Å; D363-N367 WeakPolarHBondContact O-CB 3.29Å; D363-N367 PolarHBondContact O-N 2.97Å; N367-L370 PolarHBondContact O-N 3.47Å; N367-K371 VanDerWaalsContact O-CB 3.31Å; N367-K371 WeakPolarHBondContact O-CB 3.35Å; N367-K371 VanDerWaalsContact O-CG 3.29Å; N367-K371 WeakPolarHBondContact O-CG 3.39Å; N367-K371 PolarHBondContact O-N 3.17Å
368D53.1Low49.9Very low97 Ų97110.9 Ų110.952%0.51956%0.556SS.*Hα-helixtrans-67.8-41.3176.6-90.5-10.5000111.5A364 L370 K371 D372A364-D368 PolarHBondContact O-N 3.45Å; D368-L370 PolarHBondContact O-N 3.22Å; D368-K371 PolarHBondContact O-N 2.83Å; D368-D372 WeakPolarHBondContact O-CB 3.41Å; D368-D372 PolarHBondContact O-N 3.49Å
369R55.4Low51.4Low174 Ų174109.8 Ų109.866%0.65755%0.546SS*.Hα-helixtrans-65.4-37.7174-70-174.3-135.6-150.23.2112.9S365 M366 D372 Q373S365-R369 PolarHBondContact O-N 2.93Å; S365-R369 PolarHBondContact OG-NH2 3.16Å; M366-R369 PolarHBondContact O-N 3.31Å; R369-D372 PolarHBondContact O-N 3.17Å; R369-Q373 PolarHBondContact O-N 3.41Å
370L51.3Low52.9Low87 Ų87113.1 Ų113.146%0.45555%0.553SS.*Hα-helixtrans-69.4-37.7177-15184.9000111.5M366 N367 D368 D372 Q373 Q374M366-L370 WeakPolarHBondContact O-CB 3.12Å; M366-L370 PolarHBondContact O-N 2.96Å; N367-L370 PolarHBondContact O-N 3.47Å; D368-L370 PolarHBondContact O-N 3.22Å; L370-D372 VanDerWaalsContact C-N 3.35Å; L370-Q373 PolarHBondContact O-N 3.42Å; L370-Q374 WeakPolarHBondContact O-CB 3.43Å; L370-Q374 WeakPolarHBondContact O-CG 3.33Å; L370-Q374 PolarHBondContact O-N 3.24Å
371K52.8Low53.8Low103 Ų103109.3 Ų109.345%0.44854%0.539SS..Hα-helixtrans-68.1-32.8173.8-80.3177.6-179.9174.10112.7N367 D368 R375N367-K371 VanDerWaalsContact O-CB 3.31Å; N367-K371 WeakPolarHBondContact O-CB 3.35Å; N367-K371 VanDerWaalsContact O-CG 3.29Å; N367-K371 WeakPolarHBondContact O-CG 3.39Å; N367-K371 PolarHBondContact O-N 3.17Å; D368-K371 PolarHBondContact O-N 2.83Å; K371-R375 WeakPolarHBondContact O-CB 3.29Å; K371-R375 WeakPolarHBondContact O-CG 3.41Å; K371-R375 PolarHBondContact O-N 2.68Å
372D63.4Low54.8Low89 Ų89108.5 Ų108.548%0.47653%0.531SS..Hα-helixtrans-73.3-40.8175.3-75.4-12.5000111.3D368 R369 L370 R375 E376D368-D372 WeakPolarHBondContact O-CB 3.41Å; D368-D372 PolarHBondContact O-N 3.49Å; R369-D372 PolarHBondContact O-N 3.17Å; L370-D372 VanDerWaalsContact C-N 3.35Å; D372-R375 PolarHBondContact O-N 2.65Å; D372-R375 IonicContact OD1-NE 3.01Å; D372-R375 IonicContact OD1-NH2 3.58Å; D372-E376 PolarHBondContact O-N 2.76Å
373Q61.6Low55.9Low120 Ų120106.4 Ų106.456%0.56152%0.52SS*.Hα-helixtrans-62.3-42.4170.9-79.8-177.7-2700112.3R369 L370 R375 E376 D377R369-Q373 PolarHBondContact O-N 3.41Å; L370-Q373 PolarHBondContact O-N 3.42Å; Q373-R375 VanDerWaalsContact C-N 3.34Å; Q373-R375 PolarHBondContact O-N 3.04Å; Q373-E376 PolarHBondContact O-N 3.09Å; Q373-D377 PolarHBondContact O-N 2.77Å
374Q51.7Low56.9Low120 Ų120107.9 Ų107.956%0.56153%0.525SS*.Hα-helixtrans-63.7-37.2174.6-78.3-178.8-18.900112.5L370 E378L370-Q374 WeakPolarHBondContact O-CB 3.43Å; L370-Q374 WeakPolarHBondContact O-CG 3.33Å; L370-Q374 PolarHBondContact O-N 3.24Å; Q374-E378 WeakPolarHBondContact O-CB 3.44Å; Q374-E378 PolarHBondContact O-N 2.95Å
375R58.8Low57.1Low146 Ų146108.6 Ų108.655%0.55152%0.52SS*.Hα-helixtrans-69.4-36.3175.1-85.7-170-93.4-157-1.6112.6K371 D372 Q373 H379K371-R375 WeakPolarHBondContact O-CB 3.29Å; K371-R375 WeakPolarHBondContact O-CG 3.41Å; K371-R375 PolarHBondContact O-N 2.68Å; D372-R375 PolarHBondContact O-N 2.65Å; D372-R375 IonicContact OD1-NE 3.01Å; D372-R375 IonicContact OD1-NH2 3.58Å; Q373-R375 VanDerWaalsContact C-N 3.34Å; Q373-R375 PolarHBondContact O-N 3.04Å; R375-H379 WeakPolarHBondContact O-CB 3.43Å; R375-H379 PolarHBondContact O-N 3.11Å
376E68.2Low57.6Low144 Ų144113.1 Ų113.167%0.67353%0.533SS*.Hα-helixtrans-67.2-42.6173.7-77.1-170.5157.900111.8D372 Q373 H379 R380D372-E376 PolarHBondContact O-N 2.76Å; Q373-E376 PolarHBondContact O-N 3.09Å; E376-H379 PolarHBondContact O-N 2.93Å; E376-R380 VanDerWaalsContact O-CB 3.31Å; E376-R380 WeakPolarHBondContact O-CB 3.42Å; E376-R380 PolarHBondContact O-N 3.21Å
377D57.4Low58Low89 Ų89116.5 Ų116.548%0.47654%0.539SS..Hα-helixtrans-66.5-41.1175.8-79.6-26.4000111.9Q373 H379 R380 I381Q373-D377 PolarHBondContact O-N 2.77Å; D377-H379 PolarHBondContact O-N 3.03Å; D377-R380 PolarHBondContact O-N 3.2Å; D377-I381 WeakPolarHBondContact O-CB 3.13Å; D377-I381 WeakPolarHBondContact O-CG1 3.41Å; D377-I381 PolarHBondContact O-N 3.27Å
378E57.6Low58.5Low130 Ų130117.5 Ų117.561%0.60754%0.543SS*.Hα-helixtrans-62-41.3171.8-89.6-165.5142.500112Q374 R380 N382Q374-E378 WeakPolarHBondContact O-CB 3.44Å; Q374-E378 PolarHBondContact O-N 2.95Å; E378-R380 VanDerWaalsContact C-N 3.33Å; E378-N382 VanDerWaalsContact O-CB 3.24Å; E378-N382 WeakPolarHBondContact O-CB 3.23Å; E378-N382 PolarHBondContact O-N 2.92Å
379H67.7Low58.3Low148 Ų148120.7 Ų120.769%0.68556%0.557SS**Hα-helixtrans-65.2-38.6175.9-109-77.4000111.8R375 E376 D377 S383R375-H379 WeakPolarHBondContact O-CB 3.43Å; R375-H379 PolarHBondContact O-N 3.11Å; E376-H379 PolarHBondContact O-N 2.93Å; D377-H379 PolarHBondContact O-N 3.03Å; H379-S383 VanDerWaalsContact O-CB 3.28Å; H379-S383 WeakPolarHBondContact O-CB 3.46Å; H379-S383 PolarHBondContact O-N 3.41Å
380R68.6Low57.8Low154 Ų154118.5 Ų118.558%0.58156%0.558SS**Hα-helixtrans-69.5-47.1178.6-168.1175.6163.2-165.8-4.4111.1E376 D377 E378 N382 S383 E384E376-R380 VanDerWaalsContact O-CB 3.31Å; E376-R380 WeakPolarHBondContact O-CB 3.42Å; E376-R380 PolarHBondContact O-N 3.21Å; D377-R380 PolarHBondContact O-N 3.2Å; E378-R380 VanDerWaalsContact C-N 3.33Å; R380-N382 PolarHBondContact O-N 3.33Å; R380-S383 PolarHBondContact O-N 3.12Å; R380-S383 VanDerWaalsContact O-N 3.12Å; R380-S383 PolarHBondContact O-OG 3.32Å; R380-E384 PolarHBondContact O-N 3.5Å
381I57.2Low57.4Low94 Ų94117.8 Ų117.848%0.48256%0.56SS.*Hα-helixtrans-61.4-42.6174.4-67.7165.8000110.6D377 S383 E384 N385D377-I381 WeakPolarHBondContact O-CB 3.13Å; D377-I381 WeakPolarHBondContact O-CG1 3.41Å; D377-I381 PolarHBondContact O-N 3.27Å; I381-S383 VanDerWaalsContact C-N 3.34Å; I381-S383 PolarHBondContact O-N 2.87Å; I381-E384 PolarHBondContact O-N 3.38Å; I381-N385 VanDerWaalsContact O-CB 3.28Å; I381-N385 WeakPolarHBondContact O-CB 3.46Å; I381-N385 VanDerWaalsContact O-CG 3.31Å; I381-N385 PolarHBondContact O-N 3.28Å; I381-N385 PolarHBondContact O-ND2 2.92Å
382N60.8Low56.7Low107 Ų107121.7 Ų121.757%0.57258%0.577SS**Hα-helixtrans-65.8-37.1174.5-93.4-29000112.1E378 R380 K386E378-N382 VanDerWaalsContact O-CB 3.24Å; E378-N382 WeakPolarHBondContact O-CB 3.23Å; E378-N382 PolarHBondContact O-N 2.92Å; R380-N382 PolarHBondContact O-N 3.33Å; N382-K386 VanDerWaalsContact O-CB 3.3Å; N382-K386 WeakPolarHBondContact O-CB 3.22Å; N382-K386 PolarHBondContact O-N 2.83Å
383S66.1Low55.4Low47 Ų47121.4 Ų121.433%0.32958%0.581SS.*Hα-helixtrans-67.5-38.8176.582.90000112H379 R380 I381 K386 R387H379-S383 VanDerWaalsContact O-CB 3.28Å; H379-S383 WeakPolarHBondContact O-CB 3.46Å; H379-S383 PolarHBondContact O-N 3.41Å; R380-S383 PolarHBondContact O-N 3.12Å; R380-S383 VanDerWaalsContact O-N 3.12Å; R380-S383 PolarHBondContact O-OG 3.32Å; I381-S383 VanDerWaalsContact C-N 3.34Å; I381-S383 PolarHBondContact O-N 2.87Å; S383-K386 PolarHBondContact O-N 2.93Å; S383-R387 WeakPolarHBondContact O-CG 3.44Å; S383-R387 PolarHBondContact O-N 3.14Å
384E62.6Low54.3Low94 Ų94125.1 Ų125.144%0.43960%0.595SS.*Hα-helixtrans-68.1-44.9174.1-77-178.6176.900110.9R380 I381 K386 R387 I388R380-E384 PolarHBondContact O-N 3.5Å; I381-E384 PolarHBondContact O-N 3.38Å; E384-K386 VanDerWaalsContact C-N 3.29Å; E384-K386 PolarHBondContact O-N 2.91Å; E384-R387 CarbonylContact O-C 3.15Å; E384-R387 WeakPolarHBondContact O-CA 3.38Å; E384-R387 WeakPolarHBondContact O-CB 3.35Å; E384-R387 PolarHBondContact O-N 3.44Å; E384-I388 VanDerWaalsContact O-CG1 3.27Å; E384-I388 WeakPolarHBondContact O-CG1 3.42Å; E384-I388 PolarHBondContact O-N 3.3Å
385N49.1Very low53.9Low77 Ų77126.8 Ų126.841%0.41260%0.602SS.*Hα-helixtrans-61.6-36.2173.6-78.2-28.4000112.2I381 I388 M389I381-N385 VanDerWaalsContact O-CB 3.28Å; I381-N385 WeakPolarHBondContact O-CB 3.46Å; I381-N385 VanDerWaalsContact O-CG 3.31Å; I381-N385 PolarHBondContact O-N 3.28Å; I381-N385 PolarHBondContact O-ND2 2.92Å; N385-I388 PolarHBondContact O-N 2.94Å; N385-M389 VanDerWaalsContact O-CB 3.3Å; N385-M389 WeakPolarHBondContact O-CB 3.25Å; N385-M389 WeakPolarHBondContact O-CG 3.43Å; N385-M389 PolarHBondContact O-N 3.17Å
386K56.4Low53.2Low150 Ų150122.2 Ų122.265%0.65259%0.593SS**Hα-helixtrans-68.7-35.8173.4-135.4171.8-173.4176.10111.7N382 S383 E384 N390N382-K386 VanDerWaalsContact O-CB 3.3Å; N382-K386 WeakPolarHBondContact O-CB 3.22Å; N382-K386 PolarHBondContact O-N 2.83Å; S383-K386 PolarHBondContact O-N 2.93Å; E384-K386 VanDerWaalsContact C-N 3.29Å; E384-K386 PolarHBondContact O-N 2.91Å; K386-N390 WeakPolarHBondContact O-CB 3.19Å; K386-N390 VanDerWaalsContact O-CG 3.32Å; K386-N390 PolarHBondContact O-N 2.62Å; K386-N390 PolarHBondContact O-ND2 3.39Å
387R53.8Low52.4Low187 Ų187121.1 Ų121.171%0.70659%0.591SS**Hα-helixtrans-68.5-41172.8-73.2177.6-165.6-165.25.8111.5S383 E384 N390 S391S383-R387 WeakPolarHBondContact O-CG 3.44Å; S383-R387 PolarHBondContact O-N 3.14Å; E384-R387 CarbonylContact O-C 3.15Å; E384-R387 WeakPolarHBondContact O-CA 3.38Å; E384-R387 WeakPolarHBondContact O-CB 3.35Å; E384-R387 PolarHBondContact O-N 3.44Å; R387-N390 PolarHBondContact O-N 3.46Å; R387-S391 WeakPolarHBondContact O-CB 3.31Å; R387-S391 PolarHBondContact O-N 3.38Å
388I53.8Low52.5Low111 Ų111120 Ų12057%0.56959%0.588SS**Hα-helixtrans-67.3-43.7176.3-65.3164.8000110.5E384 N385 N390 S391E384-I388 VanDerWaalsContact O-CG1 3.27Å; E384-I388 WeakPolarHBondContact O-CG1 3.42Å; E384-I388 PolarHBondContact O-N 3.3Å; N385-I388 PolarHBondContact O-N 2.94Å; I388-N390 PolarHBondContact O-N 2.88Å; I388-S391 PolarHBondContact O-N 3.34Å; I388-S391 PolarHBondContact O-OG 3.04Å
389M49Very low52.5Low163 Ų163118.8 Ų118.880%0.80358%0.582SS**Hα-helixtrans-67.3-32174.6-83.6-175.173.100113.5N385N385-M389 VanDerWaalsContact O-CB 3.3Å; N385-M389 WeakPolarHBondContact O-CB 3.25Å; N385-M389 WeakPolarHBondContact O-CG 3.43Å; N385-M389 PolarHBondContact O-N 3.17Å
390N45.6Very low52.5Low129 Ų129115 Ų11569%0.6957%0.567SS**Hα-helixtrans-85-15.4176.2-77.7-19.9000113.5K386 R387 I388 K392K386-N390 WeakPolarHBondContact O-CB 3.19Å; K386-N390 VanDerWaalsContact O-CG 3.32Å; K386-N390 PolarHBondContact O-N 2.62Å; K386-N390 PolarHBondContact O-ND2 3.39Å; R387-N390 PolarHBondContact O-N 3.46Å; I388-N390 PolarHBondContact O-N 2.88Å; N390-K392 VanDerWaalsContact C-N 3.34Å; N390-K392 PolarHBondContact O-N 3.24Å
391S44Very low52.5Low71 Ų71110 Ų11050%0.49756%0.556SS.*SBendtrans-70.793.1164.878.40000108.1R387 I388 P393R387-S391 WeakPolarHBondContact O-CB 3.31Å; R387-S391 PolarHBondContact O-N 3.38Å; I388-S391 PolarHBondContact O-N 3.34Å; I388-S391 PolarHBondContact O-OG 3.04Å; S391-P393 WeakPolarHBondContact O-CD 3.32Å
392K37.2Very low53.3Low185 Ų185110.6 Ų110.680%0.80456%0.558SS**  trans-51.9117171.9-81.3177.8-179.7167.60107.7N390 K394N390-K392 VanDerWaalsContact C-N 3.34Å; N390-K392 PolarHBondContact O-N 3.24Å; K392-K394 VanDerWaalsContact C-N 3.35Å; K392-K394 PolarHBondContact O-N 3.07Å
393P36.4Very low54.1Low84 Ų84108.3 Ų108.355%0.54555%0.545SS..  trans-69.699.217726.1-29.5000107S391 H395 S396S391-P393 WeakPolarHBondContact O-CD 3.32Å; P393-H395 PolarHBondContact O-N 3.07Å; P393-S396 PolarHBondContact O-N 3.29Å; P393-S396 PolarHBondContact O-OG 2.88Å
394K37.4Very low54.4Low198 Ų198113.1 Ų113.186%0.86156%0.557SS**THydrogen-bonded Turntrans-59.1-13174.4-76.8-177.2177.8176.30111.9K392K392-K394 VanDerWaalsContact C-N 3.35Å; K392-K394 PolarHBondContact O-N 3.07Å
395H43.3Very low54.8Low154 Ų154114.1 Ų114.171%0.71356%0.562SS**THydrogen-bonded Turntrans-96.3-15.7-179.6-120.8-74.5000116.3P393 T398P393-H395 PolarHBondContact O-N 3.07Å; H395-T398 PolarHBondContact O-N 2.9Å
396S45Very low56.1Low50 Ų50119.5 Ų119.535%0.3558%0.576SS.*Hα-helixtrans-74.5-30.1-174.772.40000113.4P393 T398 N400P393-S396 PolarHBondContact O-N 3.29Å; P393-S396 PolarHBondContact O-OG 2.88Å; S396-T398 VanDerWaalsContact C-N 3.3Å; S396-T398 PolarHBondContact O-N 2.83Å; S396-N400 PolarHBondContact O-N 2.93Å
397N52.5Low56.9Low121 Ų121119.6 Ų119.665%0.64757%0.572SS**Hα-helixtrans-66.9-32.5176.7-74.4-23.7000112.1S401N397-S401 WeakPolarHBondContact O-CB 3.44Å; N397-S401 PolarHBondContact O-N 3.48Å; N397-S401 PolarHBondContact O-OG 2.96Å
398T58.9Low57.8Low65 Ų65114.1 Ų114.140%0.39955%0.554SS.*Hα-helixtrans-67.6-46.5179.7-44.10000110.9H395 S396 N400 S401 M402H395-T398 PolarHBondContact O-N 2.9Å; S396-T398 VanDerWaalsContact C-N 3.3Å; S396-T398 PolarHBondContact O-N 2.83Å; T398-N400 PolarHBondContact O-N 3.12Å; T398-S401 PolarHBondContact O-N 2.84Å; T398-S401 PolarHBondContact O-OG 3.43Å; T398-M402 HydrophobicContact CG2-CE 4.32Å; T398-M402 WeakPolarHBondContact O-CG 3.41Å; T398-M402 PolarHBondContact O-N 2.95Å
399H57.4Low58.9Low105 Ų105115.1 Ų115.149%0.48655%0.55SS.*Hα-helixtrans-62.5-45179-173.1-105.8000112.5S401 M402 I403H399-S401 VanDerWaalsContact C-N 3.32Å; H399-S401 PolarHBondContact O-N 3.49Å; H399-M402 PolarHBondContact O-N 3.18Å; H399-I403 WeakPolarHBondContact CE1-CD1 3.3Å; H399-I403 WeakPolarHBondContact O-CG1 3.22Å; H399-I403 PolarHBondContact O-N 3.49Å
400N67.2Low60.2Low69 Ų69111.4 Ų111.437%0.36953%0.533SS..Hα-helixtrans-63.7-37.2175.8-75.3-19.8000112.4S396 T398 Y404S396-N400 PolarHBondContact O-N 2.93Å; T398-N400 PolarHBondContact O-N 3.12Å; N400-Y404 WeakPolarHBondContact O-CB 3.28Å; N400-Y404 PolarHBondContact O-N 2.88Å
401S69.8Low61.6Low50 Ų50109.1 Ų109.135%0.3552%0.523SS..Hα-helixtrans-66.1-39.9175.480.30000112.4N397 T398 H399 Y404 Q405N397-S401 WeakPolarHBondContact O-CB 3.44Å; N397-S401 PolarHBondContact O-N 3.48Å; N397-S401 PolarHBondContact O-OG 2.96Å; T398-S401 PolarHBondContact O-N 2.84Å; T398-S401 PolarHBondContact O-OG 3.43Å; H399-S401 VanDerWaalsContact C-N 3.32Å; H399-S401 PolarHBondContact O-N 3.49Å; S401-Y404 PolarHBondContact O-N 3.28Å; S401-Q405 WeakPolarHBondContact O-CB 3.33Å; S401-Q405 WeakPolarHBondContact O-CG 3.45Å; S401-Q405 PolarHBondContact O-N 3.24Å
402M73.3Confident63.1Low105 Ų105106.9 Ų106.952%0.51750%0.504SS..Hα-helixtrans-66-44.5176.8-72.8-170.7-68.700111.5T398 H399 Y404 Q405 R406T398-M402 HydrophobicContact CG2-CE 4.32Å; T398-M402 WeakPolarHBondContact O-CG 3.41Å; T398-M402 PolarHBondContact O-N 2.95Å; H399-M402 PolarHBondContact O-N 3.18Å; M402-Y404 VanDerWaalsContact C-N 3.34Å; M402-Y404 PolarHBondContact O-N 3.45Å; M402-Q405 PolarHBondContact O-N 3.46Å; M402-R406 WeakPolarHBondContact O-CB 3.2Å; M402-R406 PolarHBondContact O-N 2.85Å
403I78.2Confident65.2Low60 Ų60101.6 Ų101.631%0.30849%0.485SS..Hα-helixtrans-60.3-44.8174.4-69.4175.2000110.6H399 R406 R407H399-I403 WeakPolarHBondContact CE1-CD1 3.3Å; H399-I403 WeakPolarHBondContact O-CG1 3.22Å; H399-I403 PolarHBondContact O-N 3.49Å; I403-R406 PolarHBondContact O-N 3.24Å; I403-R407 HydrophobicContact CG2-CG 4.44Å; I403-R407 WeakPolarHBondContact O-CB 3.35Å; I403-R407 WeakPolarHBondContact O-CG 3.14Å; I403-R407 PolarHBondContact O-N 2.72Å
404Y70.8Confident67.2Low147 Ų147101.5 Ų101.558%0.57648%0.479SS*.Hα-helixtrans-60.9-47.3177.4176.4-96.5000112.1N400 S401 M402 R406 R407 K408N400-Y404 WeakPolarHBondContact O-CB 3.28Å; N400-Y404 PolarHBondContact O-N 2.88Å; S401-Y404 PolarHBondContact O-N 3.28Å; M402-Y404 VanDerWaalsContact C-N 3.34Å; M402-Y404 PolarHBondContact O-N 3.45Å; Y404-R406 PolarHBondContact O-N 2.93Å; Y404-R407 PolarHBondContact O-N 3.35Å; Y404-K408 HydrophobicContact CE1-CD 4.37Å; Y404-K408 WeakPolarHBondContact O-CB 3.34Å; Y404-K408 PolarHBondContact O-N 3.38Å
405Q71.5Confident69.2Low116 Ų11695.1 Ų95.154%0.54245%0.453SS..Hα-helixtrans-62.5-42.4176.9-73.5-176.711.400112S401 M402 K408 R409S401-Q405 WeakPolarHBondContact O-CB 3.33Å; S401-Q405 WeakPolarHBondContact O-CG 3.45Å; S401-Q405 PolarHBondContact O-N 3.24Å; M402-Q405 PolarHBondContact O-N 3.46Å; Q405-K408 PolarHBondContact O-N 2.92Å; Q405-R409 WeakPolarHBondContact O-CB 3.39Å; Q405-R409 PolarHBondContact O-N 3.38Å
406R76.7Confident71.2Confident190 Ų19092.4 Ų92.472%0.71744%0.439SS*.Hα-helixtrans-61.1-46.7176.1-171.9174.5-179170.30.3111.1M402 I403 Y404 R409 I410M402-R406 WeakPolarHBondContact O-CB 3.2Å; M402-R406 PolarHBondContact O-N 2.85Å; I403-R406 PolarHBondContact O-N 3.24Å; Y404-R406 PolarHBondContact O-N 2.93Å; R406-R409 PolarHBondContact O-N 3.44Å; R406-I410 HydrophobicContact CG-CD1 4.25Å; R406-I410 WeakPolarHBondContact O-CG1 3.12Å; R406-I410 PolarHBondContact O-N 2.96Å
407R73.6Confident73.1Confident151 Ų15196.2 Ų96.257%0.5745%0.449SS*.Hα-helixtrans-61.1-45.1175.8-73.9179.1-179.2179.32.5111.8I403 Y404 R409 I410 V411I403-R407 HydrophobicContact CG2-CG 4.44Å; I403-R407 WeakPolarHBondContact O-CB 3.35Å; I403-R407 WeakPolarHBondContact O-CG 3.14Å; I403-R407 PolarHBondContact O-N 2.72Å; Y404-R407 PolarHBondContact O-N 3.35Å; R407-R409 VanDerWaalsContact C-N 3.32Å; R407-R409 PolarHBondContact O-N 2.87Å; R407-I410 PolarHBondContact O-N 3.43Å; R407-V411 WeakPolarHBondContact O-CG2 3.32Å; R407-V411 PolarHBondContact O-N 2.85Å
408K73Confident74.7Confident72 Ų7292.6 Ų92.631%0.31343%0.431SS..Hα-helixtrans-60-41.4176.3-172.1174.9-179.4174.80111.9Y404 Q405 V411 Y412Y404-K408 HydrophobicContact CE1-CD 4.37Å; Y404-K408 WeakPolarHBondContact O-CB 3.34Å; Y404-K408 PolarHBondContact O-N 3.38Å; Q405-K408 PolarHBondContact O-N 2.92Å; K408-V411 PolarHBondContact O-N 3.32Å; K408-Y412 VanDerWaalsContact O-CB 3.31Å; K408-Y412 WeakPolarHBondContact O-CB 3.38Å; K408-Y412 PolarHBondContact O-N 3.43Å
409R76.1Confident76.3Confident133 Ų13390 Ų9050%0.50242%0.415SS..Hα-helixtrans-64.9-40.6175.7-170-177.4-72.8-174.3-2.9111.9Q405 R406 R407 Y412 N413Q405-R409 WeakPolarHBondContact O-CB 3.39Å; Q405-R409 PolarHBondContact O-N 3.38Å; R406-R409 PolarHBondContact O-N 3.44Å; R407-R409 VanDerWaalsContact C-N 3.32Å; R407-R409 PolarHBondContact O-N 2.87Å; R409-Y412 PolarHBondContact O-N 3.47Å; R409-N413 VanDerWaalsContact O-CB 3.3Å; R409-N413 WeakPolarHBondContact O-CB 3.47Å; R409-N413 PolarHBondContact O-N 3.44Å
410I76.8Confident77.9Confident85 Ų8591.7 Ų91.744%0.43642%0.422SS..Hα-helixtrans-62.8-47.4176.1-68.4164.4000110.9R406 R407 N413 N414R406-I410 HydrophobicContact CG-CD1 4.25Å; R406-I410 WeakPolarHBondContact O-CG1 3.12Å; R406-I410 PolarHBondContact O-N 2.96Å; R407-I410 PolarHBondContact O-N 3.43Å; I410-N413 PolarHBondContact O-N 3.2Å; I410-N414 WeakPolarHBondContact O-CB 3.28Å; I410-N414 VanDerWaalsContact O-CG 3.27Å; I410-N414 PolarHBondContact O-N 2.97Å; I410-N414 PolarHBondContact O-ND2 3.17Å
411V73.6Confident79.1Confident81 Ų8188.7 Ų88.749%0.49141%0.405SS..Hα-helixtrans-60.5-48.9177174.80000110.6R407 K408 N413 N414 E415R407-V411 WeakPolarHBondContact O-CG2 3.32Å; R407-V411 PolarHBondContact O-N 2.85Å; K408-V411 PolarHBondContact O-N 3.32Å; V411-N413 PolarHBondContact O-N 3.09Å; V411-N414 PolarHBondContact O-N 2.92Å; V411-N414 VanDerWaalsContact O-N 3.16Å; V411-E415 HydrophobicContact CG1-CG 4.49Å; V411-E415 WeakPolarHBondContact O-CG 3.49Å; V411-E415 PolarHBondContact O-N 2.82Å
412Y77.1Confident80.2Confident24 Ų2486.9 Ų86.99%0.09439%0.392CS..Hα-helixtrans-57.6-44.8176.9174.6-103.9000112.8I198 R201 S202 L205 K408 R409 N414 E415 K416I198-Y412 PolarHBondContact O-OH 3.4Å; R201-Y412 HydrophobicContact CB-CE2 3.96Å; S202-Y412 PolarHBondContact N-OH 3.45Å; L205-Y412 HydrophobicContact CD1-CD1 3.54Å; L205-Y412 HydrophobicContact CD1-CE1 3.55Å; L205-Y412 HydrophobicContact CD1-CG 4.09Å; K408-Y412 VanDerWaalsContact O-CB 3.31Å; K408-Y412 WeakPolarHBondContact O-CB 3.38Å; K408-Y412 PolarHBondContact O-N 3.43Å; R409-Y412 PolarHBondContact O-N 3.47Å; Y412-N414 VanDerWaalsContact C-N 3.33Å; Y412-N414 PolarHBondContact O-N 3.26Å; Y412-E415 PolarHBondContact O-N 3.26Å; Y412-K416 WeakPolarHBondContact O-CB 3.48Å; Y412-K416 PolarHBondContact O-N 2.92Å
413N79.9Confident81.2Confident73 Ų7383.1 Ų83.139%0.3938%0.378SS..Hα-helixtrans-65-37.7178.1-75.7-9.9000111.8R409 I410 V411 K416 K417R409-N413 VanDerWaalsContact O-CB 3.3Å; R409-N413 WeakPolarHBondContact O-CB 3.47Å; R409-N413 PolarHBondContact O-N 3.44Å; I410-N413 PolarHBondContact O-N 3.2Å; V411-N413 PolarHBondContact O-N 3.09Å; N413-K416 PolarHBondContact O-N 2.79Å; N413-K417 WeakPolarHBondContact O-CG 3.06Å; N413-K417 PolarHBondContact O-N 3.02Å
414N79.1Confident82Confident82 Ų8283.6 Ų83.644%0.43938%0.381SS..Hα-helixtrans-67.7-40.1175.4-72.7-19.6000112.1I410 V411 Y412 K417 T418I410-N414 WeakPolarHBondContact O-CB 3.28Å; I410-N414 VanDerWaalsContact O-CG 3.27Å; I410-N414 PolarHBondContact O-N 2.97Å; I410-N414 PolarHBondContact O-ND2 3.17Å; V411-N414 PolarHBondContact O-N 2.92Å; V411-N414 VanDerWaalsContact O-N 3.16Å; Y412-N414 VanDerWaalsContact C-N 3.33Å; Y412-N414 PolarHBondContact O-N 3.26Å; N414-K417 PolarHBondContact O-N 3.41Å; N414-T418 PolarHBondContact O-N 3.49Å; N414-T418 VanDerWaalsContact O-N 3.09Å; N414-T418 PolarHBondContact O-OG1 3.32Å
415E80.1Confident83.1Confident64 Ų6476.7 Ų76.730%0.29935%0.354SS..Hα-helixtrans-63-47.3173.3-73178.7171.600111V411 Y412 K417 T418 V419V411-E415 HydrophobicContact CG1-CG 4.49Å; V411-E415 WeakPolarHBondContact O-CG 3.49Å; V411-E415 PolarHBondContact O-N 2.82Å; Y412-E415 PolarHBondContact O-N 3.26Å; E415-K417 VanDerWaalsContact C-N 3.31Å; E415-K417 PolarHBondContact O-N 3.37Å; E415-T418 WeakPolarHBondContact O-CB 3.26Å; E415-T418 PolarHBondContact O-N 3.37Å; E415-T418 VanDerWaalsContact O-N 3.11Å; E415-V419 WeakPolarHBondContact O-CG2 3.39Å; E415-V419 PolarHBondContact O-N 3.26Å
416K83.9Confident84.3Confident98 Ų9871.4 Ų71.443%0.42633%0.33SS..Hα-helixtrans-57-42.8176.1-176.5-178.4177.3-176.50112.2I198 Y412 N413 V419 K420I198-K416 HydrophobicContact CG2-CD 4.27Å; I198-K416 HydrophobicContact CG2-CG 4.32Å; Y412-K416 WeakPolarHBondContact O-CB 3.48Å; Y412-K416 PolarHBondContact O-N 2.92Å; N413-K416 PolarHBondContact O-N 2.79Å; K416-V419 PolarHBondContact O-N 3.05Å; K416-K420 PolarHBondContact O-N 3.33Å
417K86.5Confident85.2Confident129 Ų12965.6 Ų65.656%0.56132%0.317SS*.Hα-helixtrans-60.5-45.9175.4-76.5177.5-179.5-174.80111.6N413 N414 E415 V419 K420 T421N413-K417 WeakPolarHBondContact O-CG 3.06Å; N413-K417 PolarHBondContact O-N 3.02Å; N414-K417 PolarHBondContact O-N 3.41Å; E415-K417 VanDerWaalsContact C-N 3.31Å; E415-K417 PolarHBondContact O-N 3.37Å; K417-V419 VanDerWaalsContact C-N 3.34Å; K417-V419 PolarHBondContact O-N 2.95Å; K417-K420 WeakPolarHBondContact O-CB 3.44Å; K417-K420 PolarHBondContact O-N 2.9Å; K417-T421 PolarHBondContact O-N 3.38Å; K417-T421 VanDerWaalsContact O-N 3.09Å; K417-T421 PolarHBondContact O-OG1 3.39Å
418T86.3Confident86.3Confident45 Ų4559.4 Ų59.428%0.27630%0.297SS..Hα-helixtrans-60.6-45.2177.7-53.20000110.9N414 E415 K420 T421 V422N414-T418 PolarHBondContact O-N 3.49Å; N414-T418 VanDerWaalsContact O-N 3.09Å; N414-T418 PolarHBondContact O-OG1 3.32Å; E415-T418 WeakPolarHBondContact O-CB 3.26Å; E415-T418 PolarHBondContact O-N 3.37Å; E415-T418 VanDerWaalsContact O-N 3.11Å; T418-K420 VanDerWaalsContact C-N 3.32Å; T418-K420 PolarHBondContact O-N 3.17Å; T418-T421 WeakPolarHBondContact O-CB 3.01Å; T418-T421 PolarHBondContact O-N 2.84Å; T418-T421 VanDerWaalsContact O-N 3.17Å; T418-V422 WeakPolarHBondContact O-CG2 3.23Å; T418-V422 PolarHBondContact O-N 3.46Å; T418-V422 VanDerWaalsContact O-N 3.08Å
419V90.5Very high87.3Confident10 Ų1056.1 Ų56.16%0.06128%0.283CS..Hα-helixtrans-61.1-41.2176.9173.20000111.7I117 I194 I198 E415 K416 K417 T421 V422 A423I117-V419 HydrophobicContact CD1-CG1 4.38Å; I117-V419 HydrophobicContact CD1-CG2 3.48Å; I117-V419 VanDerWaalsContact CD1-CG2 3.48Å; I117-V419 HydrophobicContact CG1-CG2 4.2Å; I194-V419 HydrophobicContact CG2-CG1 3.55Å; I198-V419 HydrophobicContact CD1-CB 4.24Å; I198-V419 HydrophobicContact CD1-CG1 3.78Å; I198-V419 HydrophobicContact CD1-CG2 4.43Å; E415-V419 WeakPolarHBondContact O-CG2 3.39Å; E415-V419 PolarHBondContact O-N 3.26Å; K416-V419 PolarHBondContact O-N 3.05Å; K417-V419 VanDerWaalsContact C-N 3.34Å; K417-V419 PolarHBondContact O-N 2.95Å; V419-T421 VanDerWaalsContact C-N 3.31Å; V419-T421 PolarHBondContact O-N 3.41Å; V419-V422 PolarHBondContact O-N 3.04Å; V419-A423 WeakPolarHBondContact O-CB 3.11Å; V419-A423 PolarHBondContact O-N 2.84Å
420K91.6Very high88.3Confident142 Ų14251.5 Ų51.562%0.61727%0.268SS*.Hα-helixtrans-57.2-46.3174.6-176.3-172.8175.9-1740110.8K416 K417 T418 A423 L424K416-K420 PolarHBondContact O-N 3.33Å; K417-K420 WeakPolarHBondContact O-CB 3.44Å; K417-K420 PolarHBondContact O-N 2.9Å; T418-K420 VanDerWaalsContact C-N 3.32Å; T418-K420 PolarHBondContact O-N 3.17Å; K420-A423 PolarHBondContact O-N 3.32Å; K420-L424 WeakPolarHBondContact O-CG 3.45Å; K420-L424 PolarHBondContact O-N 3.01Å
421T92.4Very high89.2Confident5 Ų553.5 Ų53.53%0.03128%0.278CS..Hα-helixtrans-59.5-48.2177.9-53.80000111.7K417 T418 V419 A423 L424 V425 I472 Y473 S476K417-T421 PolarHBondContact O-N 3.38Å; K417-T421 VanDerWaalsContact O-N 3.09Å; K417-T421 PolarHBondContact O-OG1 3.39Å; T418-T421 WeakPolarHBondContact O-CB 3.01Å; T418-T421 PolarHBondContact O-N 2.84Å; T418-T421 VanDerWaalsContact O-N 3.17Å; V419-T421 VanDerWaalsContact C-N 3.31Å; V419-T421 PolarHBondContact O-N 3.41Å; T421-A423 VanDerWaalsContact C-N 3.35Å; T421-A423 PolarHBondContact O-N 2.84Å; T421-L424 WeakPolarHBondContact O-CB 3.45Å; T421-L424 PolarHBondContact O-N 3.2Å; T421-V425 PolarHBondContact O-N 2.85Å; T421-I472 HydrophobicContact CG2-CG2 4.08Å; T421-Y473 HydrophobicContact CG2-CD1 3.9Å; T421-Y473 HydrophobicContact CG2-CE1 4.26Å; T421-S476 WeakPolarHBondContact OG1-CB 3.28Å
422V92.3Very high90.3Very high12 Ų1250.4 Ų50.47%0.07326%0.261CS..Hα-helixtrans-68.2-36.3-179.6-166.90000111.7I109 R113 Y191 T418 V419 L424 V425 V426I109-V422 HydrophobicContact CB-CG1 4.29Å; I109-V422 HydrophobicContact CG2-CB 4.36Å; I109-V422 HydrophobicContact CG2-CG1 3.41Å; I109-V422 VanDerWaalsContact CG2-CG1 3.41Å; I109-V422 HydrophobicContact CG2-CG2 3.95Å; R113-V422 HydrophobicContact CG-CB 4.46Å; R113-V422 HydrophobicContact CG-CG2 4.14Å; Y191-V422 WeakPolarHBondContact OH-CB 3.45Å; Y191-V422 WeakPolarHBondContact OH-CG1 3.41Å; T418-V422 WeakPolarHBondContact O-CG2 3.23Å; T418-V422 PolarHBondContact O-N 3.46Å; T418-V422 VanDerWaalsContact O-N 3.08Å; V419-V422 PolarHBondContact O-N 3.04Å; V422-L424 VanDerWaalsContact C-N 3.26Å; V422-L424 PolarHBondContact O-N 3.39Å; V422-V425 WeakPolarHBondContact O-CB 3.31Å; V422-V425 PolarHBondContact O-N 3.01Å; V422-V426 HydrophobicContact CG1-CG2 4.41Å; V422-V426 VanDerWaalsContact O-CG2 3.25Å; V422-V426 WeakPolarHBondContact O-CG2 3.32Å; V422-V426 PolarHBondContact O-N 2.95Å
423A94.7Very high91.2Very high27 Ų2749.9 Ų49.922%0.22326%0.258CS..Hα-helixtrans-60.2-37.1174.100000112.1Y191 V419 K420 T421 V426 C427Y191-A423 HydrophobicContact CD1-CB 3.85Å; Y191-A423 HydrophobicContact CE1-CB 3.73Å; V419-A423 WeakPolarHBondContact O-CB 3.11Å; V419-A423 PolarHBondContact O-N 2.84Å; K420-A423 PolarHBondContact O-N 3.32Å; T421-A423 VanDerWaalsContact C-N 3.35Å; T421-A423 PolarHBondContact O-N 2.84Å; A423-V426 PolarHBondContact O-N 3.22Å; A423-C427 WeakPolarHBondContact O-CB 3.5Å; A423-C427 PolarHBondContact O-N 3.11Å; A423-C427 PolarHBondContact O-SG 2.9Å
424L95.5Very high91.9Very high70 Ų7050.2 Ų50.237%0.36626%0.26SS..Hα-helixtrans-65.3-43.4174.1-70.9171.3000112.1K420 T421 V422 V426 C427 C428 I472 S476K420-L424 WeakPolarHBondContact O-CG 3.45Å; K420-L424 PolarHBondContact O-N 3.01Å; T421-L424 WeakPolarHBondContact O-CB 3.45Å; T421-L424 PolarHBondContact O-N 3.2Å; V422-L424 VanDerWaalsContact C-N 3.26Å; V422-L424 PolarHBondContact O-N 3.39Å; L424-V426 VanDerWaalsContact C-N 3.28Å; L424-V426 PolarHBondContact O-N 3.39Å; L424-C427 PolarHBondContact O-N 3.44Å; L424-C428 VanDerWaalsContact O-CB 3.31Å; L424-C428 WeakPolarHBondContact O-CB 3.4Å; L424-C428 PolarHBondContact O-N 3.35Å; L424-I472 HydrophobicContact CB-CG2 3.87Å; L424-S476 WeakPolarHBondContact CD1-OG 3.4Å
425V95Very high92.7Very high2 Ų248.5 Ų48.51%0.01225%0.253CS..Hα-helixtrans-57.5-44.8174.3171.50000110.7L56 I106 T421 V422 C428 F429 I472 Y473L56-V425 HydrophobicContact CD2-CG1 4.1Å; I106-V425 HydrophobicContact CD1-CG1 4.41Å; I106-V425 HydrophobicContact CG1-CG1 4.47Å; T421-V425 PolarHBondContact O-N 2.85Å; V422-V425 WeakPolarHBondContact O-CB 3.31Å; V422-V425 PolarHBondContact O-N 3.01Å; V425-C428 PolarHBondContact O-N 3.48Å; V425-F429 WeakPolarHBondContact O-CB 3.23Å; V425-F429 PolarHBondContact O-N 3.46Å; V425-I472 HydrophobicContact CG2-CB 4.38Å; V425-I472 HydrophobicContact CG2-CD1 4.26Å; V425-I472 HydrophobicContact CG2-CG2 3.79Å; V425-Y473 HydrophobicContact CG2-CE1 4.11Å
426V95Very high93.3Very high4 Ų447.3 Ų47.32%0.02425%0.247CC..Hα-helixtrans-64.5-48.4179.1165.20000112.5I106 V187 Y191 V422 A423 L424 C428 F429 I430I106-V426 HydrophobicContact CG2-CB 4.47Å; I106-V426 HydrophobicContact CG2-CG2 3.47Å; I106-V426 VanDerWaalsContact CG2-CG2 3.47Å; V187-V426 HydrophobicContact CG1-CB 4.2Å; V187-V426 HydrophobicContact CG1-CG1 3.25Å; V187-V426 HydrophobicContact CG1-CG2 3.93Å; Y191-V426 HydrophobicContact CD2-CB 4.3Å; Y191-V426 HydrophobicContact CD2-CG1 3.83Å; Y191-V426 HydrophobicContact CD2-CG2 4.09Å; Y191-V426 HydrophobicContact CE2-CB 3.91Å; Y191-V426 HydrophobicContact CE2-CG1 3.89Å; Y191-V426 HydrophobicContact CE2-CG2 3.26Å; V422-V426 HydrophobicContact CG1-CG2 4.41Å; V422-V426 VanDerWaalsContact O-CG2 3.25Å; V422-V426 WeakPolarHBondContact O-CG2 3.32Å; V422-V426 PolarHBondContact O-N 2.95Å; A423-V426 PolarHBondContact O-N 3.22Å; L424-V426 VanDerWaalsContact C-N 3.28Å; L424-V426 PolarHBondContact O-N 3.39Å; V426-C428 VanDerWaalsContact C-N 3.3Å; V426-C428 PolarHBondContact O-N 3.41Å; V426-F429 PolarHBondContact O-N 3.15Å; V426-I430 HydrophobicContact CG1-CD1 4.07Å; V426-I430 WeakPolarHBondContact O-CG1 3.36Å; V426-I430 PolarHBondContact O-N 3.4Å
427C95.7Very high93.7Very high68 Ų6842.8 Ų42.846%0.45923%0.227SC..Hα-helixtrans-61.3-41.9177.7-70.70000111.1A423 L424 I430 L431A423-C427 WeakPolarHBondContact O-CB 3.5Å; A423-C427 PolarHBondContact O-N 3.11Å; A423-C427 PolarHBondContact O-SG 2.9Å; L424-C427 PolarHBondContact O-N 3.44Å; C427-I430 PolarHBondContact O-N 3.07Å; C427-L431 WeakPolarHBondContact O-CB 3.29Å; C427-L431 VanDerWaalsContact O-CG 3.26Å; C427-L431 WeakPolarHBondContact O-CG 3.4Å; C427-L431 PolarHBondContact O-N 3.14Å
428C96.6Very high94Very high21 Ų2139.5 Ų39.514%0.14222%0.218CC..Hα-helixtrans-58.9-47.9175.9-170.10000111.2L424 V425 V426 I430 L431 C432 C468 I472L424-C428 VanDerWaalsContact O-CB 3.31Å; L424-C428 WeakPolarHBondContact O-CB 3.4Å; L424-C428 PolarHBondContact O-N 3.35Å; V425-C428 PolarHBondContact O-N 3.48Å; V426-C428 VanDerWaalsContact C-N 3.3Å; V426-C428 PolarHBondContact O-N 3.41Å; C428-I430 PolarHBondContact O-N 3.41Å; C428-L431 PolarHBondContact O-N 3.13Å; C428-C432 VanDerWaalsContact O-CB 3.29Å; C428-C432 WeakPolarHBondContact O-CB 3.36Å; C428-C432 PolarHBondContact O-N 2.98Å; C428-C432 PolarHBondContact O-SG 3.34Å; C428-C432 VanDerWaalsContact O-SG 3.38Å; C428-C468 WeakPolarHBondContact SG-CB 3.49Å; C428-C468 VanDerWaalsContact SG-SG 3.67Å; C428-I472 HydrophobicContact CB-CD1 3.96Å
429F95.6Very high94.3Very high3 Ų338.5 Ų38.51%0.01321%0.211CC..Hα-helixtrans-57.7-49.4178.2-172.4-79.4000111.9I103 I106 F184 V425 V426 C432 W433 N465I103-F429 HydrophobicContact CB-CE1 3.85Å; I103-F429 HydrophobicContact CB-CE2 4.29Å; I103-F429 HydrophobicContact CB-CZ 3.55Å; I103-F429 HydrophobicContact CD1-CD1 4.32Å; I103-F429 HydrophobicContact CD1-CE1 3.42Å; I103-F429 VanDerWaalsContact CD1-CE1 3.42Å; I103-F429 HydrophobicContact CD1-CZ 3.95Å; I103-F429 HydrophobicContact CG1-CD1 4.21Å; I103-F429 HydrophobicContact CG1-CE1 3.5Å; I103-F429 VanDerWaalsContact CG1-CE1 3.5Å; I103-F429 HydrophobicContact CG1-CZ 3.79Å; I106-F429 HydrophobicContact CD1-CB 3.57Å; I106-F429 HydrophobicContact CD1-CD1 4.21Å; I106-F429 HydrophobicContact CD1-CD2 3.26Å; I106-F429 HydrophobicContact CD1-CE2 4.04Å; I106-F429 HydrophobicContact CD1-CG 3.39Å; F184-F429 AromaticContact CE1-CD1 3.72Å; F184-F429 HydrophobicContact CE1-CD1 3.72Å; F184-F429 AromaticContact CE1-CE1 3.58Å; F184-F429 HydrophobicContact CE1-CE1 3.58Å; F184-F429 HydrophobicContact CZ-CE1 4.25Å; V425-F429 WeakPolarHBondContact O-CB 3.23Å; V425-F429 PolarHBondContact O-N 3.46Å; V426-F429 PolarHBondContact O-N 3.15Å; F429-C432 PolarHBondContact O-N 3.25Å; F429-W433 AromaticContact CD1-CD1 3.91Å; F429-W433 HydrophobicContact CD1-CG 4.45Å; F429-W433 AromaticContact CD2-CD1 3.73Å; F429-W433 AromaticContact CD2-NE1 3.86Å; F429-W433 HydrophobicContact CE1-CB 4.22Å; F429-W433 AromaticContact CE1-CD1 3.62Å; F429-W433 AromaticContact CE1-CG 3.92Å; F429-W433 HydrophobicContact CE1-CG 3.92Å; F429-W433 AromaticContact CE2-CD1 3.5Å; F429-W433 VanDerWaalsContact CE2-CD1 3.5Å; F429-W433 HydrophobicContact CE2-CG 4.37Å; F429-W433 AromaticContact CE2-NE1 3.36Å; F429-W433 AromaticContact CG-CD1 3.92Å; F429-W433 AromaticContact CZ-CD1 3.42Å; F429-W433 VanDerWaalsContact CZ-CD1 3.42Å; F429-W433 HydrophobicContact CZ-CD2 4.29Å; F429-W433 AromaticContact CZ-CG 3.88Å; F429-W433 HydrophobicContact CZ-CG 3.88Å; F429-W433 AromaticContact CZ-NE1 3.56Å; F429-W433 WeakPolarHBondContact O-CB 3.48Å; F429-W433 VanDerWaalsContact O-CD1 3.3Å; F429-W433 PolarHBondContact O-N 2.99Å; F429-N465 WeakPolarHBondContact CA-OD1 3.48Å; F429-N465 WeakPolarHBondContact CD2-ND2 3.46Å; F429-N465 PolarHBondContact N-OD1 2.89Å
430I95.5Very high94.2Very high37 Ų3739.4 Ų39.419%0.1921%0.213CC..Hα-helixtrans-60.9-49.8179.2-65.8169.2000110.4F184 V426 C427 C428 C432 W433 L434F184-I430 HydrophobicContact CD1-CG1 3.86Å; F184-I430 HydrophobicContact CE1-CG1 4Å; V426-I430 HydrophobicContact CG1-CD1 4.07Å; V426-I430 WeakPolarHBondContact O-CG1 3.36Å; V426-I430 PolarHBondContact O-N 3.4Å; C427-I430 PolarHBondContact O-N 3.07Å; C428-I430 PolarHBondContact O-N 3.41Å; I430-C432 VanDerWaalsContact C-N 3.33Å; I430-C432 PolarHBondContact O-N 2.87Å; I430-W433 PolarHBondContact O-N 3.35Å; I430-L434 WeakPolarHBondContact O-CB 3.38Å; I430-L434 PolarHBondContact O-N 2.98Å
431L96Very high94.1Very high126 Ų12634.6 Ų34.666%0.6620%0.195SC*.Hα-helixtrans-64.3-36.8-176.9-69.3172.9000112.9C427 C428 P435C427-L431 WeakPolarHBondContact O-CB 3.29Å; C427-L431 VanDerWaalsContact O-CG 3.26Å; C427-L431 WeakPolarHBondContact O-CG 3.4Å; C427-L431 PolarHBondContact O-N 3.14Å; C428-L431 PolarHBondContact O-N 3.13Å; L431-P435 VanDerWaalsContact O-CD 3.29Å; L431-P435 WeakPolarHBondContact O-CD 3.43Å
432C96.9Very high93.9Very high17 Ų1738.5 Ų38.512%0.11521%0.213CC..Hα-helixtrans-74-39.5179.1-75.80000112.8C428 F429 I430 I461 A462 N465C428-C432 VanDerWaalsContact O-CB 3.29Å; C428-C432 WeakPolarHBondContact O-CB 3.36Å; C428-C432 PolarHBondContact O-N 2.98Å; C428-C432 PolarHBondContact O-SG 3.34Å; C428-C432 VanDerWaalsContact O-SG 3.38Å; F429-C432 PolarHBondContact O-N 3.25Å; I430-C432 VanDerWaalsContact C-N 3.33Å; I430-C432 PolarHBondContact O-N 2.87Å; C432-I461 HydrophobicContact CB-CG2 4.49Å; C432-I461 WeakPolarHBondContact CB-O 3.35Å; C432-A462 WeakPolarHBondContact O-CA 3.33Å; C432-A462 PolarHBondContact O-N 3.48Å; C432-N465 HydrophobicContact CB-CB 3.77Å
433W95.9Very high93.7Very high13 Ų1339.6 Ų39.65%0.04922%0.218CC..Hα-helixtrans-87.6-29.3-175.5-79.592.6000113.8C99 F180 F184 F429 I430 P435 F436 T437 A462C99-W433 HydrophobicContact CB-CH2 3.35Å; C99-W433 HydrophobicContact CB-CZ2 3.7Å; C99-W433 HydrophobicContact CB-CZ3 3.98Å; F180-W433 HydrophobicContact CD1-CE3 4.49Å; F180-W433 AromaticContact CE1-CD2 4Å; F180-W433 HydrophobicContact CE1-CD2 4Å; F180-W433 AromaticContact CE1-CE3 3.41Å; F180-W433 HydrophobicContact CE1-CE3 3.41Å; F180-W433 VanDerWaalsContact CE1-CE3 3.41Å; F180-W433 AromaticContact CE1-CZ3 3.9Å; F180-W433 HydrophobicContact CE1-CZ3 3.9Å; F180-W433 AromaticContact CZ-CE3 3.71Å; F180-W433 HydrophobicContact CZ-CE3 3.71Å; F180-W433 AromaticContact CZ-CZ3 3.78Å; F180-W433 HydrophobicContact CZ-CZ3 3.78Å; F184-W433 HydrophobicContact CZ-CB 3.87Å; F429-W433 AromaticContact CD1-CD1 3.91Å; F429-W433 HydrophobicContact CD1-CG 4.45Å; F429-W433 AromaticContact CD2-CD1 3.73Å; F429-W433 AromaticContact CD2-NE1 3.86Å; F429-W433 HydrophobicContact CE1-CB 4.22Å; F429-W433 AromaticContact CE1-CD1 3.62Å; F429-W433 AromaticContact CE1-CG 3.92Å; F429-W433 HydrophobicContact CE1-CG 3.92Å; F429-W433 AromaticContact CE2-CD1 3.5Å; F429-W433 VanDerWaalsContact CE2-CD1 3.5Å; F429-W433 HydrophobicContact CE2-CG 4.37Å; F429-W433 AromaticContact CE2-NE1 3.36Å; F429-W433 AromaticContact CG-CD1 3.92Å; F429-W433 AromaticContact CZ-CD1 3.42Å; F429-W433 VanDerWaalsContact CZ-CD1 3.42Å; F429-W433 HydrophobicContact CZ-CD2 4.29Å; F429-W433 AromaticContact CZ-CG 3.88Å; F429-W433 HydrophobicContact CZ-CG 3.88Å; F429-W433 AromaticContact CZ-NE1 3.56Å; F429-W433 WeakPolarHBondContact O-CB 3.48Å; F429-W433 VanDerWaalsContact O-CD1 3.3Å; F429-W433 PolarHBondContact O-N 2.99Å; I430-W433 PolarHBondContact O-N 3.35Å; W433-P435 VanDerWaalsContact C-CD 3.49Å; W433-F436 HydrophobicContact CZ3-CD1 4.4Å; W433-F436 PolarHBondContact O-N 3.03Å; W433-T437 PolarHBondContact O-N 3.25Å; W433-T437 PolarHBondContact O-OG1 2.9Å; W433-T437 VanDerWaalsContact O-OG1 3.09Å; W433-A462 HydrophobicContact CD2-CB 3.78Å; W433-A462 HydrophobicContact CE3-CB 3.75Å; W433-A462 HydrophobicContact CG-CB 4.35Å; W433-A462 HydrophobicContact CH2-CB 4.14Å; W433-A462 HydrophobicContact CZ2-CB 4.18Å; W433-A462 HydrophobicContact CZ3-CB 3.94Å
434L94.7Very high93.2Very high79 Ų7938.4 Ų38.441%0.41421%0.208SC..Hα-helixtrans-54.2-42.9-175-177.167.6000114F184 I430 T437 T438F184-L434 HydrophobicContact CE2-CD1 4.5Å; I430-L434 WeakPolarHBondContact O-CB 3.38Å; I430-L434 PolarHBondContact O-N 2.98Å; L434-T437 PolarHBondContact O-N 2.99Å; L434-T438 WeakPolarHBondContact O-CB 3.49Å; L434-T438 PolarHBondContact O-N 3.41Å; L434-T438 PolarHBondContact O-OG1 2.93Å
435P95.2Very high92.7Very high46 Ų4639.1 Ų39.130%0.29922%0.224SC..Hα-helixtrans-60.8-47.6178.5-24.235.1000112.9L431 W433 T438 L439 T458L431-P435 VanDerWaalsContact O-CD 3.29Å; L431-P435 WeakPolarHBondContact O-CD 3.43Å; W433-P435 VanDerWaalsContact C-CD 3.49Å; P435-T438 PolarHBondContact O-N 3.49Å; P435-L439 WeakPolarHBondContact O-CG 3.32Å; P435-L439 PolarHBondContact O-N 3.25Å; P435-L439 VanDerWaalsContact O-N 3.16Å; P435-T458 HydrophobicContact CB-CG2 3.78Å
436F93.5Very high92.3Very high40 Ų4042.1 Ų42.118%0.17524%0.244CC..Hα-helixtrans-65-46.3179.1-178.1-91.7000111.2W433 T438 L439 Y440 F455 A462W433-F436 HydrophobicContact CZ3-CD1 4.4Å; W433-F436 PolarHBondContact O-N 3.03Å; F436-T438 VanDerWaalsContact C-N 3.28Å; F436-T438 PolarHBondContact O-N 3.49Å; F436-L439 PolarHBondContact O-N 2.95Å; F436-Y440 WeakPolarHBondContact O-CB 3.46Å; F436-Y440 PolarHBondContact O-N 2.78Å; F436-F455 HydrophobicContact CD2-CD1 4.34Å; F436-F455 AromaticContact CE2-CD1 3.98Å; F436-F455 HydrophobicContact CE2-CD1 3.98Å; F436-A462 HydrophobicContact CB-CB 4.39Å
437T92.4Very high91.4Very high2 Ų249.6 Ų49.61%0.01228%0.279CS..Hα-helixtrans-59-40.6177.3-59.60000111.7F180 F184 W433 L434 Y440 L441F180-T437 HydrophobicContact CB-CG2 3.5Å; F180-T437 VanDerWaalsContact CB-CG2 3.5Å; F180-T437 WeakPolarHBondContact CD1-OG1 3.37Å; F180-T437 HydrophobicContact CD2-CG2 3.9Å; F180-T437 HydrophobicContact CG-CG2 3.72Å; F180-T437 WeakPolarHBondContact CG-OG1 3.37Å; F184-T437 HydrophobicContact CE2-CG2 4.43Å; W433-T437 PolarHBondContact O-N 3.25Å; W433-T437 PolarHBondContact O-OG1 2.9Å; W433-T437 VanDerWaalsContact O-OG1 3.09Å; L434-T437 PolarHBondContact O-N 2.99Å; T437-Y440 PolarHBondContact O-N 2.97Å; T437-L441 HydrophobicContact CG2-CD1 3.9Å; T437-L441 HydrophobicContact CG2-CG 4.4Å; T437-L441 WeakPolarHBondContact O-CB 3.42Å; T437-L441 WeakPolarHBondContact O-CG 3.46Å; T437-L441 PolarHBondContact O-N 3.42Å
438T92.5Very high90.9Very high61 Ų6148.8 Ų48.837%0.37427%0.274SS..Hα-helixtrans-63.2-48.9179.5-57.60000110.6L434 P435 F436 Y440 L441 M442L434-T438 WeakPolarHBondContact O-CB 3.49Å; L434-T438 PolarHBondContact O-N 3.41Å; L434-T438 PolarHBondContact O-OG1 2.93Å; P435-T438 PolarHBondContact O-N 3.49Å; F436-T438 VanDerWaalsContact C-N 3.28Å; F436-T438 PolarHBondContact O-N 3.49Å; T438-Y440 PolarHBondContact O-N 3.4Å; T438-L441 PolarHBondContact O-N 3.33Å; T438-M442 HydrophobicContact CG2-CG 4.34Å; T438-M442 HydrophobicContact CG2-SD 3.88Å; T438-M442 WeakPolarHBondContact O-CB 3.4Å; T438-M442 VanDerWaalsContact O-CG 3.23Å; T438-M442 WeakPolarHBondContact O-CG 3.49Å; T438-M442 PolarHBondContact O-N 2.85Å
439L91.9Very high90.2Very high23 Ų2355.5 Ų55.512%0.1231%0.307CS..Hα-helixtrans-62.4-43.7177.7-66.3174.6000112.1P435 F436 L441 M442 E443 F450 I454 F455 T458P435-L439 WeakPolarHBondContact O-CG 3.32Å; P435-L439 PolarHBondContact O-N 3.25Å; P435-L439 VanDerWaalsContact O-N 3.16Å; F436-L439 PolarHBondContact O-N 2.95Å; L439-L441 PolarHBondContact O-N 3.22Å; L439-M442 PolarHBondContact O-N 3.44Å; L439-E443 WeakPolarHBondContact O-CB 3.42Å; L439-E443 PolarHBondContact O-N 2.95Å; L439-F450 HydrophobicContact CD2-CD1 3.97Å; L439-F450 HydrophobicContact CD2-CD2 4.19Å; L439-F450 HydrophobicContact CD2-CE1 3.95Å; L439-F450 HydrophobicContact CD2-CE2 4.17Å; L439-F450 HydrophobicContact CD2-CG 4.09Å; L439-F450 HydrophobicContact CD2-CZ 4.05Å; L439-I454 HydrophobicContact CD1-CG2 3.51Å; L439-F455 HydrophobicContact CB-CD1 4.38Å; L439-F455 HydrophobicContact CB-CE1 3.73Å; L439-F455 HydrophobicContact CB-CZ 4.05Å; L439-T458 HydrophobicContact CD1-CG2 3.64Å
440Y89Confident89.8Confident29 Ų2957.7 Ų57.711%0.11432%0.317CS..Hα-helixtrans-59.9-43.7178.2-179.2-97.5000112.3R172 F436 T437 T438 G444R172-Y440 HydrophobicContact CB-CE1 4.42Å; R172-Y440 WeakPolarHBondContact O-CE1 3.32Å; F436-Y440 WeakPolarHBondContact O-CB 3.46Å; F436-Y440 PolarHBondContact O-N 2.78Å; T437-Y440 PolarHBondContact O-N 2.97Å; T438-Y440 PolarHBondContact O-N 3.4Å; Y440-G444 PolarHBondContact O-N 3.44Å
441L89.6Confident89.5Confident42 Ų4259.2 Ų59.222%0.2233%0.331CS..Hα-helixtrans-70.4-39.7176.6-73173.8000112.2I181 T437 T438 L439 G444 A445I181-L441 HydrophobicContact CD1-CD1 3.73Å; I181-L441 HydrophobicContact CG1-CD1 3.94Å; T437-L441 HydrophobicContact CG2-CD1 3.9Å; T437-L441 HydrophobicContact CG2-CG 4.4Å; T437-L441 WeakPolarHBondContact O-CB 3.42Å; T437-L441 WeakPolarHBondContact O-CG 3.46Å; T437-L441 PolarHBondContact O-N 3.42Å; T438-L441 PolarHBondContact O-N 3.33Å; L439-L441 PolarHBondContact O-N 3.22Å; L441-G444 PolarHBondContact O-N 2.93Å; L441-A445 WeakPolarHBondContact O-CB 3.13Å; L441-A445 PolarHBondContact O-N 3.28Å
442M89.4Confident88.9Confident86 Ų8657.3 Ų57.342%0.42432%0.319SS..Hα-helixtrans-63.8-43.9177.3-75.3-178.976.300111.9T438 L439 G444 A445 C446 F450T438-M442 HydrophobicContact CG2-CG 4.34Å; T438-M442 HydrophobicContact CG2-SD 3.88Å; T438-M442 WeakPolarHBondContact O-CB 3.4Å; T438-M442 VanDerWaalsContact O-CG 3.23Å; T438-M442 WeakPolarHBondContact O-CG 3.49Å; T438-M442 PolarHBondContact O-N 2.85Å; L439-M442 PolarHBondContact O-N 3.44Å; M442-G444 PolarHBondContact O-N 2.93Å; M442-A445 PolarHBondContact O-N 3.33Å; M442-C446 PolarHBondContact O-N 3.07Å; M442-C446 PolarHBondContact O-SG 2.98Å; M442-F450 HydrophobicContact CB-CE2 3.78Å; M442-F450 HydrophobicContact CB-CZ 3.94Å; M442-F450 HydrophobicContact CE-CZ 4.03Å; M442-F450 HydrophobicContact SD-CZ 4.29Å
443E86.6Confident88.5Confident36 Ų3659.7 Ų59.717%0.16834%0.339CS..Hα-helixtrans-59.3-33.7176.7-156.3-156.6136.600111.7R172 L439 E447 C448 F450 F455R172-E443 IonicContact CZ-OE1 3.37Å; R172-E443 VanDerWaalsContact CZ-OE1 3.27Å; R172-E443 PolarHBondContact NH1-O 3.38Å; R172-E443 IonicContact NH1-OE1 3.31Å; R172-E443 PolarHBondContact NH1-OE1 3.19Å; R172-E443 IonicContact NH1-OE2 3.58Å; R172-E443 IonicContact NH2-OE1 3.27Å; R172-E443 PolarHBondContact NH2-OE1 3.35Å; L439-E443 WeakPolarHBondContact O-CB 3.42Å; L439-E443 PolarHBondContact O-N 2.95Å; E443-E447 WeakPolarHBondContact O-CA 3.4Å; E443-E447 PolarHBondContact O-N 2.92Å; E443-C448 WeakPolarHBondContact CG-O 3.46Å; E443-F450 HydrophobicContact CB-CD2 4.29Å; E443-F450 HydrophobicContact CB-CE2 4.42Å; E443-F455 HydrophobicContact CB-CZ 4.22Å; E443-F455 HydrophobicContact CG-CZ 4.38Å; E443-F455 VanDerWaalsContact OE2-CE2 3.26Å; E443-F455 WeakPolarHBondContact OE2-CE2 3.11Å; E443-F455 WeakPolarHBondContact OE2-CZ 3.06Å
444G84Confident88.3Confident2 Ų263 Ų632%0.02136%0.357CS..Hα-helixtrans-73.2-41.2171.800000113.5T169 Y440 L441 M442T169-G444 WeakPolarHBondContact CG2-O 3.23Å; T169-G444 PolarHBondContact OG1-O 3.03Å; Y440-G444 PolarHBondContact O-N 3.44Å; L441-G444 PolarHBondContact O-N 2.93Å; M442-G444 PolarHBondContact O-N 2.93Å
445A86.3Confident88.1Confident85 Ų8560.9 Ų60.970%0.70235%0.345SS*.Hα-helixtrans-78.8-37-171.900000114.5L441 M442L441-A445 WeakPolarHBondContact O-CB 3.13Å; L441-A445 PolarHBondContact O-N 3.28Å; M442-A445 PolarHBondContact O-N 3.33Å
446C86.1Confident87.9Confident64 Ų6459.1 Ų59.143%0.43233%0.333SS..Hα-helixtrans-110.21.4-177.665.50000114M442 C448M442-C446 PolarHBondContact O-N 3.07Å; M442-C446 PolarHBondContact O-SG 2.98Å; C446-C448 HydrophobicContact CB-CB 4.4Å; C446-C448 WeakPolarHBondContact CB-SG 3.41Å; C446-C448 PolarHBondContact O-N 2.76Å; C446-C448 WeakPolarHBondContact SG-CB 3.18Å; C446-C448 CovalentContact SG-SG 2.04Å; C446-C448 PolarHBondContact SG-SG 3.12Å
447E76.2Confident87.9Confident161 Ų16158.9 Ų58.975%0.75234%0.341SS*.  trans52.823.1-171.5-58.7-176178.900113.1E443E443-E447 WeakPolarHBondContact O-CA 3.4Å; E443-E447 PolarHBondContact O-N 2.92Å
448C84.3Confident88Confident52 Ų5259.5 Ų59.535%0.35135%0.345SS..  trans-74.3137.2-179.6-53.30000110.5E443 C446 F450E443-C448 WeakPolarHBondContact CG-O 3.46Å; C446-C448 HydrophobicContact CB-CB 4.4Å; C446-C448 WeakPolarHBondContact CB-SG 3.41Å; C446-C448 PolarHBondContact O-N 2.76Å; C446-C448 WeakPolarHBondContact SG-CB 3.18Å; C446-C448 CovalentContact SG-SG 2.04Å; C446-C448 PolarHBondContact SG-SG 3.12Å; C448-F450 HydrophobicContact CB-CE2 4.34Å; C448-F450 HydrophobicContact CB-CZ 4.44Å
449L83.1Confident88.1Confident162 Ų16256.9 Ų56.985%0.84833%0.33SS*.  trans-92.4108.9172.8-165.774.1000110.2
450F85.9Confident88.2Confident49 Ų4957.2 Ų57.222%0.21533%0.329CS..  trans-82.7148.5169.3-62.3-77.4000110.7L439 M442 E443 C448 E452 F455L439-F450 HydrophobicContact CD2-CD1 3.97Å; L439-F450 HydrophobicContact CD2-CD2 4.19Å; L439-F450 HydrophobicContact CD2-CE1 3.95Å; L439-F450 HydrophobicContact CD2-CE2 4.17Å; L439-F450 HydrophobicContact CD2-CG 4.09Å; L439-F450 HydrophobicContact CD2-CZ 4.05Å; M442-F450 HydrophobicContact CB-CE2 3.78Å; M442-F450 HydrophobicContact CB-CZ 3.94Å; M442-F450 HydrophobicContact CE-CZ 4.03Å; M442-F450 HydrophobicContact SD-CZ 4.29Å; E443-F450 HydrophobicContact CB-CD2 4.29Å; E443-F450 HydrophobicContact CB-CE2 4.42Å; C448-F450 HydrophobicContact CB-CE2 4.34Å; C448-F450 HydrophobicContact CB-CZ 4.44Å; F450-E452 PolarHBondContact O-N 2.92Å; F450-F455 HydrophobicContact CB-CD2 4.1Å; F450-F455 HydrophobicContact CB-CE2 3.72Å; F450-F455 HydrophobicContact CB-CZ 4.49Å; F450-F455 HydrophobicContact CD2-CE2 4.21Å; F450-F455 HydrophobicContact CD2-CZ 4.26Å; F450-F455 HydrophobicContact CG-CE2 4.44Å
451S89.1Confident88.6Confident69 Ų6959.3 Ų59.348%0.48334%0.342SS..  trans-57.3134.9175.2177.10000110.7A453 I454 F455S451-A453 PolarHBondContact O-N 3.07Å; S451-A453 VanDerWaalsContact O-N 3.15Å; S451-A453 PolarHBondContact OG-N 3.07Å; S451-I454 WeakPolarHBondContact O-CB 3.36Å; S451-I454 PolarHBondContact O-N 3.33Å; S451-F455 PolarHBondContact O-N 3.03Å
452E85Confident88.9Confident86 Ų8657.4 Ų57.440%0.40233%0.332SS..Hα-helixtrans-54.9-34.7177.1-175.9166.5-165.500111.5R74 F450 I454 F455 M456R74-E452 IonicContact CZ-OE1 3.49Å; R74-E452 IonicContact NE-OE1 3.41Å; R74-E452 PolarHBondContact NE-OE1 3.22Å; R74-E452 IonicContact NH2-OE1 2.74Å; R74-E452 PolarHBondContact NH2-OE1 3.2Å; F450-E452 PolarHBondContact O-N 2.92Å; E452-I454 VanDerWaalsContact C-N 3.27Å; E452-I454 PolarHBondContact O-N 3.3Å; E452-F455 PolarHBondContact O-N 2.95Å; E452-M456 HydrophobicContact CG-CE 3.99Å; E452-M456 HydrophobicContact CG-CG 4.1Å; E452-M456 WeakPolarHBondContact O-CB 3.11Å; E452-M456 WeakPolarHBondContact O-CG 3.2Å; E452-M456 PolarHBondContact O-N 3.39Å; E452-M456 WeakPolarHBondContact OE1-CE 3.4Å
453A88.2Confident89.3Confident66 Ų6653.6 Ų53.655%0.54531%0.313SS..Hα-helixtrans-58.8-36.2175.800000113.1S451 G457S451-A453 PolarHBondContact O-N 3.07Å; S451-A453 VanDerWaalsContact O-N 3.15Å; S451-A453 PolarHBondContact OG-N 3.07Å; A453-G457 PolarHBondContact O-N 2.91Å
454I91.9Very high89.6Confident84 Ų8454.5 Ų54.543%0.43132%0.318SS..Hα-helixtrans-71.7-43178.5-58.8174000110L439 S451 E452 M456 G457 T458L439-I454 HydrophobicContact CD1-CG2 3.51Å; S451-I454 WeakPolarHBondContact O-CB 3.36Å; S451-I454 PolarHBondContact O-N 3.33Å; E452-I454 VanDerWaalsContact C-N 3.27Å; E452-I454 PolarHBondContact O-N 3.3Å; I454-M456 VanDerWaalsContact C-N 3.3Å; I454-M456 PolarHBondContact O-N 3.34Å; I454-G457 PolarHBondContact O-N 3.26Å; I454-T458 WeakPolarHBondContact O-CG2 3.38Å; I454-T458 PolarHBondContact O-N 2.96Å; I454-T458 PolarHBondContact O-OG1 3.42Å
455F90.2Very high90.2Very high34 Ų3454.4 Ų54.415%0.14932%0.318CS..Hα-helixtrans-61.2-40.8174.8-90.6-64.8000112.2F436 L439 E443 F450 S451 E452 T458 G459F436-F455 HydrophobicContact CD2-CD1 4.34Å; F436-F455 AromaticContact CE2-CD1 3.98Å; F436-F455 HydrophobicContact CE2-CD1 3.98Å; L439-F455 HydrophobicContact CB-CD1 4.38Å; L439-F455 HydrophobicContact CB-CE1 3.73Å; L439-F455 HydrophobicContact CB-CZ 4.05Å; E443-F455 HydrophobicContact CB-CZ 4.22Å; E443-F455 HydrophobicContact CG-CZ 4.38Å; E443-F455 VanDerWaalsContact OE2-CE2 3.26Å; E443-F455 WeakPolarHBondContact OE2-CE2 3.11Å; E443-F455 WeakPolarHBondContact OE2-CZ 3.06Å; F450-F455 HydrophobicContact CB-CD2 4.1Å; F450-F455 HydrophobicContact CB-CE2 3.72Å; F450-F455 HydrophobicContact CB-CZ 4.49Å; F450-F455 HydrophobicContact CD2-CE2 4.21Å; F450-F455 HydrophobicContact CD2-CZ 4.26Å; F450-F455 HydrophobicContact CG-CE2 4.44Å; S451-F455 PolarHBondContact O-N 3.03Å; E452-F455 PolarHBondContact O-N 2.95Å; F455-T458 PolarHBondContact O-OG1 3.33Å; F455-T458 VanDerWaalsContact O-OG1 3.12Å; F455-G459 PolarHBondContact O-N 3.48Å
456M90.6Very high90.7Very high9 Ų950.5 Ų50.54%0.04429%0.285CS..Hα-helixtrans-68.4-44178-66-71.7-156.100112F71 R74 Q75 E452 I454 G459 W460F71-M456 HydrophobicContact CD2-SD 4.25Å; F71-M456 HydrophobicContact CE2-SD 3.4Å; F71-M456 WeakPolarHBondContact CE2-SD 3.47Å; F71-M456 HydrophobicContact CZ-SD 3.89Å; R74-M456 HydrophobicContact CG-CE 3.89Å; Q75-M456 PolarHBondContact OE1-SD 3.41Å; E452-M456 HydrophobicContact CG-CE 3.99Å; E452-M456 HydrophobicContact CG-CG 4.1Å; E452-M456 WeakPolarHBondContact O-CB 3.11Å; E452-M456 WeakPolarHBondContact O-CG 3.2Å; E452-M456 PolarHBondContact O-N 3.39Å; E452-M456 WeakPolarHBondContact OE1-CE 3.4Å; I454-M456 VanDerWaalsContact C-N 3.3Å; I454-M456 PolarHBondContact O-N 3.34Å; M456-G459 PolarHBondContact O-N 2.83Å; M456-W460 VanDerWaalsContact O-CD1 3.28Å; M456-W460 PolarHBondContact O-N 2.74Å
457G92.8Very high91.2Very high34 Ų3449.5 Ų49.535%0.35128%0.275SS..Hα-helixtrans-60.5-47.8176.200000112.2A453 I454 G459 W460 I461A453-G457 PolarHBondContact O-N 2.91Å; I454-G457 PolarHBondContact O-N 3.26Å; G457-G459 VanDerWaalsContact C-N 3.34Å; G457-G459 PolarHBondContact O-N 2.95Å; G457-W460 PolarHBondContact O-N 3.42Å; G457-I461 WeakPolarHBondContact O-CG1 3.47Å; G457-I461 PolarHBondContact O-N 3.38Å; G457-I461 VanDerWaalsContact O-N 3.14Å
458T94.9Very high92.2Very high16 Ų1643.6 Ų43.610%0.09825%0.251CS..Hα-helixtrans-67.9-32.9175.853.80000112.7P435 L439 I454 F455 I461 A462P435-T458 HydrophobicContact CB-CG2 3.78Å; L439-T458 HydrophobicContact CD1-CG2 3.64Å; I454-T458 WeakPolarHBondContact O-CG2 3.38Å; I454-T458 PolarHBondContact O-N 2.96Å; I454-T458 PolarHBondContact O-OG1 3.42Å; F455-T458 PolarHBondContact O-OG1 3.33Å; F455-T458 VanDerWaalsContact O-OG1 3.12Å; T458-I461 PolarHBondContact O-N 3.46Å; T458-A462 PolarHBondContact O-N 3.48Å
459G94.9Very high92.7Very high5 Ų541.1 Ų41.15%0.05223%0.234CC..Hα-helixtrans-62.4-41.8171.900000112.7F455 M456 G457 A462 Y463F455-G459 PolarHBondContact O-N 3.48Å; M456-G459 PolarHBondContact O-N 2.83Å; G457-G459 VanDerWaalsContact C-N 3.34Å; G457-G459 PolarHBondContact O-N 2.95Å; G459-A462 WeakPolarHBondContact O-CB 3.34Å; G459-A462 PolarHBondContact O-N 3.09Å; G459-Y463 WeakPolarHBondContact O-CD2 3.35Å; G459-Y463 PolarHBondContact O-N 2.93Å
460W94.9Very high93.2Very high30 Ų3033.9 Ų33.911%0.11420%0.196CC..Hα-helixtrans-62-44.1172.2-85.6109.1000112.1Q21 L68 F71 I72 M456 G457 A462 Y463 L464Q21-W460 HydrophobicContact CB-CH2 3.6Å; Q21-W460 HydrophobicContact CB-CZ2 3.74Å; Q21-W460 HydrophobicContact CB-CZ3 4.32Å; Q21-W460 VanDerWaalsContact CD-CZ2 3.42Å; Q21-W460 HydrophobicContact CG-CD2 4.33Å; Q21-W460 HydrophobicContact CG-CH2 3.64Å; Q21-W460 HydrophobicContact CG-CZ2 3.33Å; Q21-W460 HydrophobicContact CG-CZ3 4.25Å; L68-W460 HydrophobicContact CD2-CH2 4.44Å; L68-W460 HydrophobicContact CD2-CZ3 4.2Å; F71-W460 HydrophobicContact CD1-CD2 4.07Å; F71-W460 AromaticContact CD1-CE2 3.55Å; F71-W460 HydrophobicContact CD1-CH2 4.15Å; F71-W460 AromaticContact CD1-CZ2 3.58Å; F71-W460 HydrophobicContact CD1-CZ2 3.58Å; F71-W460 AromaticContact CD1-NE1 3.81Å; F71-W460 AromaticContact CE1-CD1 3.48Å; F71-W460 VanDerWaalsContact CE1-CD1 3.48Å; F71-W460 AromaticContact CE1-CD2 3.65Å; F71-W460 HydrophobicContact CE1-CD2 3.65Å; F71-W460 AromaticContact CE1-CE2 3.38Å; F71-W460 HydrophobicContact CE1-CE3 4.41Å; F71-W460 AromaticContact CE1-CG 3.7Å; F71-W460 HydrophobicContact CE1-CG 3.7Å; F71-W460 AromaticContact CE1-CZ2 3.95Å; F71-W460 HydrophobicContact CE1-CZ2 3.95Å; F71-W460 AromaticContact CE1-NE1 3.28Å; F71-W460 VanDerWaalsContact CE1-NE1 3.28Å; F71-W460 HydrophobicContact CZ-CG 4.5Å; I72-W460 HydrophobicContact CD1-CH2 4.05Å; I72-W460 HydrophobicContact CG1-CH2 3.47Å; I72-W460 VanDerWaalsContact CG1-CH2 3.47Å; I72-W460 HydrophobicContact CG1-CZ2 3.64Å; M456-W460 VanDerWaalsContact O-CD1 3.28Å; M456-W460 PolarHBondContact O-N 2.74Å; G457-W460 PolarHBondContact O-N 3.42Å; W460-A462 VanDerWaalsContact C-N 3.26Å; W460-A462 PolarHBondContact O-N 2.85Å; W460-Y463 PolarHBondContact O-N 3.36Å; W460-Y463 VanDerWaalsContact O-N 3.17Å; W460-L464 VanDerWaalsContact O-CG 3.29Å; W460-L464 WeakPolarHBondContact O-CG 3.15Å; W460-L464 PolarHBondContact O-N 3.46Å
461I96.2Very high93.6Very high74 Ų7435.8 Ų35.838%0.37921%0.205SC..Hα-helixtrans-58.2-41.4175.1-64.3169.5000110.7C432 G457 T458 L464C432-I461 HydrophobicContact CB-CG2 4.49Å; C432-I461 WeakPolarHBondContact CB-O 3.35Å; G457-I461 WeakPolarHBondContact O-CG1 3.47Å; G457-I461 PolarHBondContact O-N 3.38Å; G457-I461 VanDerWaalsContact O-N 3.14Å; T458-I461 PolarHBondContact O-N 3.46Å; I461-L464 PolarHBondContact O-N 2.97Å
462A96.6Very high93.9Very high1 Ų133.7 Ų33.71%0.00819%0.188CC..Hα-helixtrans-62.7-45.1175.500000112.1C432 W433 F436 T458 G459 W460 L464 N465C432-A462 WeakPolarHBondContact O-CA 3.33Å; C432-A462 PolarHBondContact O-N 3.48Å; W433-A462 HydrophobicContact CD2-CB 3.78Å; W433-A462 HydrophobicContact CE3-CB 3.75Å; W433-A462 HydrophobicContact CG-CB 4.35Å; W433-A462 HydrophobicContact CH2-CB 4.14Å; W433-A462 HydrophobicContact CZ2-CB 4.18Å; W433-A462 HydrophobicContact CZ3-CB 3.94Å; F436-A462 HydrophobicContact CB-CB 4.39Å; T458-A462 PolarHBondContact O-N 3.48Å; G459-A462 WeakPolarHBondContact O-CB 3.34Å; G459-A462 PolarHBondContact O-N 3.09Å; W460-A462 VanDerWaalsContact C-N 3.26Å; W460-A462 PolarHBondContact O-N 2.85Å; A462-L464 VanDerWaalsContact C-N 3.35Å; A462-L464 PolarHBondContact O-N 3.21Å; A462-N465 WeakPolarHBondContact O-CB 3.38Å; A462-N465 PolarHBondContact O-N 3.44Å
463Y96.5Very high94.3Very high7 Ų730 Ų303%0.02717%0.17CC..Hα-helixtrans-68.8-29.2177.7-68.8-49.9000114V63 L67 L68 F71 N95 G459 W460 N465 S466V63-Y463 HydrophobicContact CG1-CD1 3.64Å; V63-Y463 HydrophobicContact CG1-CE1 4.03Å; L67-Y463 HydrophobicContact CB-CE1 4.4Å; L67-Y463 HydrophobicContact CD1-CE1 3.96Å; L68-Y463 HydrophobicContact CD2-CD1 4.22Å; L68-Y463 HydrophobicContact CD2-CD2 3.94Å; L68-Y463 HydrophobicContact CD2-CG 3.78Å; F71-Y463 HydrophobicContact CB-CE2 4.41Å; F71-Y463 AromaticContact CD1-CD2 3.65Å; F71-Y463 HydrophobicContact CD1-CD2 3.65Å; F71-Y463 AromaticContact CD1-CE2 3.46Å; F71-Y463 HydrophobicContact CD1-CE2 3.46Å; F71-Y463 VanDerWaalsContact CD1-CE2 3.46Å; F71-Y463 HydrophobicContact CD2-CE2 4.13Å; F71-Y463 AromaticContact CE1-CD2 3.6Å; F71-Y463 HydrophobicContact CE1-CD2 3.6Å; F71-Y463 AromaticContact CE1-CE2 3.55Å; F71-Y463 HydrophobicContact CE1-CE2 3.55Å; F71-Y463 HydrophobicContact CE2-CE2 4.2Å; F71-Y463 HydrophobicContact CG-CD2 4.39Å; F71-Y463 AromaticContact CG-CE2 3.76Å; F71-Y463 HydrophobicContact CG-CE2 3.76Å; F71-Y463 HydrophobicContact CZ-CD2 4.31Å; F71-Y463 AromaticContact CZ-CE2 3.93Å; F71-Y463 HydrophobicContact CZ-CE2 3.93Å; N95-Y463 PolarHBondContact ND2-OH 3.23Å; N95-Y463 VanDerWaalsContact ND2-OH 3.11Å; G459-Y463 WeakPolarHBondContact O-CD2 3.35Å; G459-Y463 PolarHBondContact O-N 2.93Å; W460-Y463 PolarHBondContact O-N 3.36Å; W460-Y463 VanDerWaalsContact O-N 3.17Å; Y463-N465 PolarHBondContact O-N 3.21Å; Y463-N465 VanDerWaalsContact O-N 3.15Å; Y463-S466 WeakPolarHBondContact O-CB 3.2Å; Y463-S466 PolarHBondContact O-N 3.35Å
464L94.9Very high94.4Very high54 Ų5428 Ų2828%0.28316%0.155SC..Hα-helixtrans-62.1-19.6174.5-71.8172.7000112.6W460 I461 A462 S466 M467 C468W460-L464 VanDerWaalsContact O-CG 3.29Å; W460-L464 WeakPolarHBondContact O-CG 3.15Å; W460-L464 PolarHBondContact O-N 3.46Å; I461-L464 PolarHBondContact O-N 2.97Å; A462-L464 VanDerWaalsContact C-N 3.35Å; A462-L464 PolarHBondContact O-N 3.21Å; L464-S466 PolarHBondContact O-N 3.08Å; L464-M467 HydrophobicContact CD2-CE 3.67Å; L464-M467 HydrophobicContact CD2-SD 4.08Å; L464-M467 WeakPolarHBondContact O-CA 3.36Å; L464-M467 VanDerWaalsContact O-CB 3.25Å; L464-M467 WeakPolarHBondContact O-CB 3.28Å; L464-M467 PolarHBondContact O-N 3.05Å; L464-C468 PolarHBondContact O-N 2.74Å; L464-C468 PolarHBondContact O-SG 2.77Å; L464-C468 VanDerWaalsContact O-SG 3.37Å
465N96.5Very high94.4Very high1 Ų132.3 Ų32.31%0.00517%0.17CC..Hα-helixtrans-51.3-45.1168.7171.470.1000112.2F429 C432 A462 Y463 M467 C468F429-N465 WeakPolarHBondContact CA-OD1 3.48Å; F429-N465 WeakPolarHBondContact CD2-ND2 3.46Å; F429-N465 PolarHBondContact N-OD1 2.89Å; C432-N465 HydrophobicContact CB-CB 3.77Å; A462-N465 WeakPolarHBondContact O-CB 3.38Å; A462-N465 PolarHBondContact O-N 3.44Å; Y463-N465 PolarHBondContact O-N 3.21Å; Y463-N465 VanDerWaalsContact O-N 3.15Å; N465-M467 PolarHBondContact O-N 2.96Å; N465-C468 PolarHBondContact O-N 3.21Å; N465-C468 VanDerWaalsContact O-N 3.16Å
466S96.9Very high94.3Very high3 Ų332.6 Ų32.62%0.02118%0.176CC..Hα-helixtrans-65.7-22.1-179.5-62.20000112.4N32 D60 Y463 L464N32-S466 PolarHBondContact ND2-O 3.36Å; D60-S466 WeakPolarHBondContact OD1-CA 3.14Å; D60-S466 VanDerWaalsContact OD1-CB 3.23Å; D60-S466 WeakPolarHBondContact OD1-CB 3.49Å; D60-S466 PolarHBondContact OD1-OG 3.3Å; Y463-S466 WeakPolarHBondContact O-CB 3.2Å; Y463-S466 PolarHBondContact O-N 3.35Å; L464-S466 PolarHBondContact O-N 3.08Å
467M96.2Very high94Very high43 Ų4333.4 Ų33.421%0.21218%0.181CC..Hα-helixtrans-78.6-38.9174.6-167.4178.76800111.7F27 I28 L464 N465 N469 P470 F471F27-M467 HydrophobicContact CB-CG 4.25Å; F27-M467 HydrophobicContact CB-SD 4.26Å; I28-M467 HydrophobicContact CD1-CB 4.18Å; I28-M467 HydrophobicContact CG1-CB 3.53Å; I28-M467 HydrophobicContact CG1-CG 4.05Å; L464-M467 HydrophobicContact CD2-CE 3.67Å; L464-M467 HydrophobicContact CD2-SD 4.08Å; L464-M467 WeakPolarHBondContact O-CA 3.36Å; L464-M467 VanDerWaalsContact O-CB 3.25Å; L464-M467 WeakPolarHBondContact O-CB 3.28Å; L464-M467 PolarHBondContact O-N 3.05Å; N465-M467 PolarHBondContact O-N 2.96Å; M467-N469 VanDerWaalsContact C-N 3.31Å; M467-N469 PolarHBondContact O-N 2.93Å; M467-P470 WeakPolarHBondContact O-CD 3.46Å; M467-F471 HydrophobicContact CG-CE2 4.03Å; M467-F471 VanDerWaalsContact O-CD2 3.23Å; M467-F471 WeakPolarHBondContact O-CD2 3.14Å
468C96.3Very high93.6Very high36 Ų3636.4 Ų36.424%0.24319%0.193CC..Hα-helixtrans-66.7-29.8-174.2-66.70000113.4C428 L464 N465 F471 I472C428-C468 WeakPolarHBondContact SG-CB 3.49Å; C428-C468 VanDerWaalsContact SG-SG 3.67Å; L464-C468 PolarHBondContact O-N 2.74Å; L464-C468 PolarHBondContact O-SG 2.77Å; L464-C468 VanDerWaalsContact O-SG 3.37Å; N465-C468 PolarHBondContact O-N 3.21Å; N465-C468 VanDerWaalsContact O-N 3.16Å; C468-F471 PolarHBondContact O-N 2.82Å; C468-I472 HydrophobicContact CB-CD1 4.22Å; C468-I472 VanDerWaalsContact O-CG1 3.32Å; C468-I472 WeakPolarHBondContact O-CG1 3.46Å; C468-I472 PolarHBondContact O-N 3.46Å
469N94.5Very high93.1Very high1 Ų139.4 Ų39.41%0.00520%0.204CC..Hα-helixtrans-56-56.7-174.1-75.7-18.1000113.7D60 M467 F471 I472 Y473D60-N469 PolarHBondContact OD2-ND2 3.12Å; M467-N469 VanDerWaalsContact C-N 3.31Å; M467-N469 PolarHBondContact O-N 2.93Å; N469-F471 VanDerWaalsContact C-N 3.29Å; N469-F471 PolarHBondContact O-N 3.32Å; N469-I472 PolarHBondContact O-N 3.21Å; N469-I472 VanDerWaalsContact O-N 3.14Å; N469-Y473 HydrophobicContact CB-CE2 4.1Å; N469-Y473 WeakPolarHBondContact O-CD2 3.37Å; N469-Y473 PolarHBondContact O-N 3.38Å
470P94.8Very high92.6Very high9 Ų939.2 Ų39.26%0.05820%0.202CC..Hα-helixtrans-51.1-43.7173.8-29.133.9000114.2G31 V35 M467 Y473 A474G31-P470 WeakPolarHBondContact O-CG 3.37Å; V35-P470 HydrophobicContact CG2-CB 4.14Å; V35-P470 HydrophobicContact CG2-CG 4.08Å; M467-P470 WeakPolarHBondContact O-CD 3.46Å; P470-Y473 PolarHBondContact O-N 2.99Å; P470-A474 WeakPolarHBondContact O-CB 3.09Å; P470-A474 PolarHBondContact O-N 3.41Å
471F94.6Very high92.3Very high90 Ų9039 Ų3940%0.39521%0.207SC..Hα-helixtrans-64.4-44.7177.9-68.4-71.7000111.7F27 M467 C468 N469 Y473 A474 F475F27-F471 HydrophobicContact CD1-CZ 4.34Å; M467-F471 HydrophobicContact CG-CE2 4.03Å; M467-F471 VanDerWaalsContact O-CD2 3.23Å; M467-F471 WeakPolarHBondContact O-CD2 3.14Å; C468-F471 PolarHBondContact O-N 2.82Å; N469-F471 VanDerWaalsContact C-N 3.29Å; N469-F471 PolarHBondContact O-N 3.32Å; F471-Y473 VanDerWaalsContact C-N 3.27Å; F471-Y473 PolarHBondContact O-N 3.26Å; F471-A474 PolarHBondContact O-N 3.14Å; F471-F475 HydrophobicContact CB-CD2 4.24Å; F471-F475 HydrophobicContact CB-CE2 4.19Å; F471-F475 AromaticContact CD1-CE2 3.91Å; F471-F475 HydrophobicContact CD1-CE2 3.91Å; F471-F475 WeakPolarHBondContact O-CD2 3.34Å; F471-F475 PolarHBondContact O-N 3.04Å
472I95.3Very high92Very high25 Ų2542.2 Ų42.213%0.12822%0.218CC..Hα-helixtrans-58-42.8176.8-68.2165.9000110.3T421 L424 V425 C428 C468 N469 S476T421-I472 HydrophobicContact CG2-CG2 4.08Å; L424-I472 HydrophobicContact CB-CG2 3.87Å; V425-I472 HydrophobicContact CG2-CB 4.38Å; V425-I472 HydrophobicContact CG2-CD1 4.26Å; V425-I472 HydrophobicContact CG2-CG2 3.79Å; C428-I472 HydrophobicContact CB-CD1 3.96Å; C468-I472 HydrophobicContact CB-CD1 4.22Å; C468-I472 VanDerWaalsContact O-CG1 3.32Å; C468-I472 WeakPolarHBondContact O-CG1 3.46Å; C468-I472 PolarHBondContact O-N 3.46Å; N469-I472 PolarHBondContact O-N 3.21Å; N469-I472 VanDerWaalsContact O-N 3.14Å; I472-S476 WeakPolarHBondContact O-CB 3.44Å; I472-S476 PolarHBondContact O-N 2.77Å; I472-S476 PolarHBondContact O-OG 3.17Å
473Y92.1Very high91.5Very high7 Ų742.2 Ų42.23%0.02722%0.218CC..Hα-helixtrans-66.2-43.7176.6-61.3-50.7000112.6V35 I53 T421 V425 N469 P470 F471 N477V35-Y473 HydrophobicContact CG1-CD2 4.45Å; V35-Y473 HydrophobicContact CG1-CE2 4.48Å; V35-Y473 HydrophobicContact CG2-CD2 3.94Å; V35-Y473 HydrophobicContact CG2-CE2 4.47Å; I53-Y473 HydrophobicContact CD1-CE1 4.27Å; I53-Y473 HydrophobicContact CG1-CE1 4.45Å; I53-Y473 HydrophobicContact CG2-CE1 4.23Å; I53-Y473 HydrophobicContact CG2-CE2 3.95Å; T421-Y473 HydrophobicContact CG2-CD1 3.9Å; T421-Y473 HydrophobicContact CG2-CE1 4.26Å; V425-Y473 HydrophobicContact CG2-CE1 4.11Å; N469-Y473 HydrophobicContact CB-CE2 4.1Å; N469-Y473 WeakPolarHBondContact O-CD2 3.37Å; N469-Y473 PolarHBondContact O-N 3.38Å; P470-Y473 PolarHBondContact O-N 2.99Å; F471-Y473 VanDerWaalsContact C-N 3.27Å; F471-Y473 PolarHBondContact O-N 3.26Å; Y473-N477 WeakPolarHBondContact O-CB 3.31Å; Y473-N477 PolarHBondContact O-N 2.67Å; Y473-N477 VanDerWaalsContact O-N 3.11Å
474A91.3Very high91.2Very high26 Ų2642.5 Ų42.522%0.21522%0.219CC..Hα-helixtrans-60.5-45.817900000112.2P470 F471 A481 F484P470-A474 WeakPolarHBondContact O-CB 3.09Å; P470-A474 PolarHBondContact O-N 3.41Å; F471-A474 PolarHBondContact O-N 3.14Å; A474-A481 VanDerWaalsContact O-CB 3.23Å; A474-A481 WeakPolarHBondContact O-CB 3.36Å; A474-F484 HydrophobicContact CB-CD2 3.8Å; A474-F484 HydrophobicContact CB-CE2 3.91Å
475F91.4Very high91Very high173 Ų17345.9 Ų45.976%0.75923%0.232SC*.Hα-helixtrans-86.5-31.6-175.6-65.6-64.4000113.7F471F471-F475 HydrophobicContact CB-CD2 4.24Å; F471-F475 HydrophobicContact CB-CE2 4.19Å; F471-F475 AromaticContact CD1-CE2 3.91Å; F471-F475 HydrophobicContact CD1-CE2 3.91Å; F471-F475 WeakPolarHBondContact O-CD2 3.34Å; F471-F475 PolarHBondContact O-N 3.04Å
476S87.7Confident90.6Very high40 Ų4052.7 Ų52.728%0.2826%0.257SS..Hα-helixtrans-91.6-22.4-174.1-53.80000113.7T421 L424 I472T421-S476 WeakPolarHBondContact OG1-CB 3.28Å; L424-S476 WeakPolarHBondContact CD1-OG 3.4Å; I472-S476 WeakPolarHBondContact O-CB 3.44Å; I472-S476 PolarHBondContact O-N 2.77Å; I472-S476 PolarHBondContact O-OG 3.17Å
477N84.5Confident90.1Very high26 Ų2655 Ų5514%0.13927%0.268CS..  trans-125.7105.4-175.1-168.6-29000111.9Y473 K479 Y480 A481Y473-N477 WeakPolarHBondContact O-CB 3.31Å; Y473-N477 PolarHBondContact O-N 2.67Å; Y473-N477 VanDerWaalsContact O-N 3.11Å; N477-K479 PolarHBondContact O-N 2.03Å; N477-K479 WeakPolarHBondContact OD1-CB 3.31Å; N477-K479 PolarHBondContact OD1-N 3.42Å; N477-Y480 HydrophobicContact CB-CD2 3.85Å; N477-Y480 WeakPolarHBondContact ND2-CD2 3.31Å; N477-Y480 PolarHBondContact O-N 3.25Å; N477-A481 PolarHBondContact O-N 2.96Å
478T84.9Confident89.7Confident98 Ų9857.6 Ų57.660%0.60128%0.283SS*.Hα-helixtrans-58.5-24.9-178.358.10000113.8K482T478-K482 WeakPolarHBondContact O-CB 3.09Å; T478-K482 VanDerWaalsContact O-CG 3.27Å; T478-K482 WeakPolarHBondContact O-CG 3.29Å; T478-K482 PolarHBondContact O-N 3.4Å; T478-K482 VanDerWaalsContact O-N 3.11Å
479K84.2Confident89.3Confident78 Ų7864.4 Ų64.434%0.33931%0.311SS..Hα-helixtrans-69.1-48.6174.6-60.9-170.6-180-167.40110.7M44 F45 N477 K482 A483M44-K479 HydrophobicContact CE-CB 4.26Å; M44-K479 HydrophobicContact CE-CD 4.49Å; F45-K479 HydrophobicContact CE1-CB 3.7Å; F45-K479 HydrophobicContact CZ-CB 3.74Å; F45-K479 WeakPolarHBondContact CZ-O 3.47Å; N477-K479 PolarHBondContact O-N 2.03Å; N477-K479 WeakPolarHBondContact OD1-CB 3.31Å; N477-K479 PolarHBondContact OD1-N 3.42Å; K479-K482 PolarHBondContact O-N 2.93Å; K479-A483 PolarHBondContact O-N 2.86Å
480Y84.6Confident88.5Confident1 Ų171.8 Ų71.80%0.00435%0.349CS..Hα-helixtrans-64.8-42.9177.3-78.1-84.9000110.9V39 F45 D50 I53 N477 K482 A483 F484V39-Y480 HydrophobicContact CG2-CE1 3.81Å; F45-Y480 HydrophobicContact CD1-CE1 4.44Å; F45-Y480 HydrophobicContact CD1-CE2 4.37Å; F45-Y480 HydrophobicContact CE1-CD1 4.45Å; F45-Y480 HydrophobicContact CE1-CD2 4.15Å; F45-Y480 HydrophobicContact CE1-CE1 4.36Å; F45-Y480 HydrophobicContact CE1-CE2 4.06Å; F45-Y480 HydrophobicContact CE1-CG 4.35Å; D50-Y480 PolarHBondContact OD1-OH 3.49Å; I53-Y480 HydrophobicContact CD1-CE2 4.32Å; I53-Y480 WeakPolarHBondContact CD1-OH 3.39Å; N477-Y480 HydrophobicContact CB-CD2 3.85Å; N477-Y480 WeakPolarHBondContact ND2-CD2 3.31Å; N477-Y480 PolarHBondContact O-N 3.25Å; Y480-K482 VanDerWaalsContact C-N 3.31Å; Y480-K482 PolarHBondContact O-N 3.39Å; Y480-A483 CarbonylContact O-C 3.55Å; Y480-A483 WeakPolarHBondContact O-CA 3.04Å; Y480-A483 WeakPolarHBondContact O-CB 2.99Å; Y480-A483 PolarHBondContact O-N 3.17Å; Y480-F484 HydrophobicContact CD1-CE1 4.47Å; Y480-F484 HydrophobicContact CD1-CZ 4.47Å; Y480-F484 WeakPolarHBondContact O-CG 3.37Å; Y480-F484 PolarHBondContact O-N 2.85Å
481A88.2Confident88.2Confident26 Ų2675 Ų7522%0.21536%0.363CS..Hα-helixtrans-51.7-49.3173.800000112.2A474 N477 A483 F484 K485A474-A481 VanDerWaalsContact O-CB 3.23Å; A474-A481 WeakPolarHBondContact O-CB 3.36Å; N477-A481 PolarHBondContact O-N 2.96Å; A481-A483 VanDerWaalsContact C-N 3.3Å; A481-A483 PolarHBondContact O-N 2.93Å; A481-F484 PolarHBondContact O-N 3.13Å; A481-K485 WeakPolarHBondContact O-CB 3.12Å; A481-K485 WeakPolarHBondContact O-CG 3Å; A481-K485 PolarHBondContact O-N 3.01Å
482K89Confident87.9Confident142 Ų14274.2 Ų74.262%0.61736%0.361SS*.Hα-helixtrans-66.4-29.5176.5-73.3-179.6-179.8-165.60113.2T478 K479 Y480 R486T478-K482 WeakPolarHBondContact O-CB 3.09Å; T478-K482 VanDerWaalsContact O-CG 3.27Å; T478-K482 WeakPolarHBondContact O-CG 3.29Å; T478-K482 PolarHBondContact O-N 3.4Å; T478-K482 VanDerWaalsContact O-N 3.11Å; K479-K482 PolarHBondContact O-N 2.93Å; Y480-K482 VanDerWaalsContact C-N 3.31Å; Y480-K482 PolarHBondContact O-N 3.39Å; K482-R486 VanDerWaalsContact O-CG 3.28Å; K482-R486 WeakPolarHBondContact O-CG 3.41Å; K482-R486 PolarHBondContact O-N 3.49Å; K482-R486 PolarHBondContact O-NE 2.74Å; K482-R486 VanDerWaalsContact O-NE 3.16Å
483A87.6Confident87.4Confident0 Ų076.9 Ų76.90%037%0.374CS..Hα-helixtrans-72.1-45.817600000111.1A38 F45 K479 Y480 A481 R486 M487A38-A483 HydrophobicContact CB-CB 4.22Å; F45-A483 HydrophobicContact CE2-CB 3.66Å; F45-A483 HydrophobicContact CZ-CB 4.01Å; K479-A483 PolarHBondContact O-N 2.86Å; Y480-A483 CarbonylContact O-C 3.55Å; Y480-A483 WeakPolarHBondContact O-CA 3.04Å; Y480-A483 WeakPolarHBondContact O-CB 2.99Å; Y480-A483 PolarHBondContact O-N 3.17Å; A481-A483 VanDerWaalsContact C-N 3.3Å; A481-A483 PolarHBondContact O-N 2.93Å; A483-R486 PolarHBondContact O-N 3.2Å; A483-M487 WeakPolarHBondContact O-CG 3.28Å; A483-M487 PolarHBondContact O-N 2.89Å
484F89.4Confident87.2Confident14 Ų1481 Ų816%0.06140%0.395CS..Hα-helixtrans-61.5-47.9176.9-66.4-10.4000111.5L34 V35 A38 A474 Y480 A481 R486 M487 L488L34-F484 HydrophobicContact CD1-CD1 4.49Å; L34-F484 HydrophobicContact CD2-CB 4.09Å; L34-F484 HydrophobicContact CD2-CD1 3.65Å; L34-F484 HydrophobicContact CD2-CD2 4.07Å; L34-F484 HydrophobicContact CD2-CE1 4Å; L34-F484 HydrophobicContact CD2-CE2 4.39Å; L34-F484 HydrophobicContact CD2-CG 3.69Å; L34-F484 HydrophobicContact CD2-CZ 4.35Å; L34-F484 HydrophobicContact CG-CD1 3.67Å; L34-F484 HydrophobicContact CG-CE1 3.8Å; L34-F484 HydrophobicContact CG-CG 4.24Å; L34-F484 HydrophobicContact CG-CZ 4.47Å; V35-F484 HydrophobicContact CG2-CE1 4.49Å; V35-F484 HydrophobicContact CG2-CZ 3.81Å; A38-F484 HydrophobicContact CB-CD1 4.07Å; A38-F484 HydrophobicContact CB-CE1 3.73Å; A474-F484 HydrophobicContact CB-CD2 3.8Å; A474-F484 HydrophobicContact CB-CE2 3.91Å; Y480-F484 HydrophobicContact CD1-CE1 4.47Å; Y480-F484 HydrophobicContact CD1-CZ 4.47Å; Y480-F484 WeakPolarHBondContact O-CG 3.37Å; Y480-F484 PolarHBondContact O-N 2.85Å; A481-F484 PolarHBondContact O-N 3.13Å; F484-R486 PolarHBondContact O-N 3.39Å; F484-M487 HydrophobicContact CD1-CE 3.71Å; F484-M487 HydrophobicContact CE1-CE 4.3Å; F484-M487 PolarHBondContact O-N 3.28Å; F484-M487 VanDerWaalsContact O-N 3.13Å; F484-L488 WeakPolarHBondContact O-CB 3.22Å; F484-L488 WeakPolarHBondContact O-CG 3.12Å; F484-L488 PolarHBondContact O-N 3.36Å
485K89.9Confident86.9Confident124 Ų12484.4 Ų84.454%0.53941%0.406SS..Hα-helixtrans-49.5-54.2172.7-82.9-168.7179.6-156.40112.9A481 M487 L488 H489 I490A481-K485 WeakPolarHBondContact O-CB 3.12Å; A481-K485 WeakPolarHBondContact O-CG 3Å; A481-K485 PolarHBondContact O-N 3.01Å; K485-M487 VanDerWaalsContact C-N 3.32Å; K485-M487 PolarHBondContact O-N 3.45Å; K485-L488 PolarHBondContact O-N 3.24Å; K485-H489 PolarHBondContact O-N 3.45Å; K485-I490 WeakPolarHBondContact CA-OXT 3.4Å; K485-I490 WeakPolarHBondContact CB-OXT 3.37Å; K485-I490 WeakPolarHBondContact CG-OXT 3.48Å; K485-I490 PolarHBondContact O-N 3.09Å
486R88.7Confident86.6Confident144 Ų14478.5 Ų78.554%0.54338%0.383SS..Hα-helixtrans-60.2-36.1178-73.7-177.5-60.8158.312.1114.3K482 A483 F484K482-R486 VanDerWaalsContact O-CG 3.28Å; K482-R486 WeakPolarHBondContact O-CG 3.41Å; K482-R486 PolarHBondContact O-N 3.49Å; K482-R486 PolarHBondContact O-NE 2.74Å; K482-R486 VanDerWaalsContact O-NE 3.16Å; A483-R486 PolarHBondContact O-N 3.2Å; F484-R486 PolarHBondContact O-N 3.39Å
487M87Confident86.5Confident51 Ų5181.3 Ų81.325%0.25139%0.39SS..Hα-helixtrans-79.6-32.8179.9-70-173-62.300112.9L34 L37 A38 A483 F484 K485L34-M487 HydrophobicContact CD1-CB 4.26Å; L34-M487 HydrophobicContact CD1-CE 3.42Å; L34-M487 VanDerWaalsContact CD1-CE 3.42Å; L34-M487 HydrophobicContact CD1-SD 4.3Å; L34-M487 HydrophobicContact CG-CE 3.85Å; L37-M487 HydrophobicContact CB-SD 4.21Å; A38-M487 HydrophobicContact CB-CE 3.43Å; A38-M487 VanDerWaalsContact CB-CE 3.43Å; A38-M487 HydrophobicContact CB-SD 4.34Å; A483-M487 WeakPolarHBondContact O-CG 3.28Å; A483-M487 PolarHBondContact O-N 2.89Å; F484-M487 HydrophobicContact CD1-CE 3.71Å; F484-M487 HydrophobicContact CE1-CE 4.3Å; F484-M487 PolarHBondContact O-N 3.28Å; F484-M487 VanDerWaalsContact O-N 3.13Å; K485-M487 VanDerWaalsContact C-N 3.32Å; K485-M487 PolarHBondContact O-N 3.45Å
488L88.7Confident86.7Confident99 Ų9985.5 Ų85.552%0.51841%0.409SS..Hα-helixtrans-83.6-1.1177.5-65.1173.6000112.5L34 F484 K485 I490L34-L488 HydrophobicContact CD1-CD2 4.41Å; L34-L488 HydrophobicContact CD2-CD1 4.22Å; F484-L488 WeakPolarHBondContact O-CB 3.22Å; F484-L488 WeakPolarHBondContact O-CG 3.12Å; F484-L488 PolarHBondContact O-N 3.36Å; K485-L488 PolarHBondContact O-N 3.24Å; L488-I490 HydrophobicContact CB-CD1 3.88Å; L488-I490 HydrophobicContact CB-CG1 4.06Å; L488-I490 HydrophobicContact CD1-CD1 4.37Å; L488-I490 PolarHBondContact O-N 2.97Å
489H86.6Confident86.8Confident179 Ų17984.5 Ų84.583%0.82939%0.393SS*.THydrogen-bonded Turntrans55.237.8-174.4-66.5-94.1000113.3K485K485-H489 PolarHBondContact O-N 3.45Å
490I78.1Confident87.1Confident156 Ų15685.1 Ų85.180%0.840%0.398SS*.  trans-116.20174.1-52.1167.6000108.6K485 L488K485-I490 WeakPolarHBondContact CA-OXT 3.4Å; K485-I490 WeakPolarHBondContact CB-OXT 3.37Å; K485-I490 WeakPolarHBondContact CG-OXT 3.48Å; K485-I490 PolarHBondContact O-N 3.09Å; L488-I490 HydrophobicContact CB-CD1 3.88Å; L488-I490 HydrophobicContact CB-CG1 4.06Å; L488-I490 HydrophobicContact CD1-CD1 4.37Å; L488-I490 PolarHBondContact O-N 2.97Å

Retrieved 490 of 490 residues in 210.8 ms (Link to these results)

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