A0A061HXZ1_CRIGR Loading...

Gamma-aminobutyric acid receptor subunit alpha-6 isoform 1

AlphaFold DB , UniProt , Accession A0A061HXZ1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gabra6, Length 453 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
1M58.3Low69.1Low194 Ų194110.5 Ų110.596%0.95659%0.586SS**  0-46.40-141.4168.681.200112.7V3 L4 L5M1-V3 PolarHBondContact O-N 2.82Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-L5 PolarHBondContact O-N 3.15Å
2V61.7Low69.8Low123 Ų123110.2 Ų110.275%0.74558%0.584SS**Hα-helixtrans-63.2-38.5-179.2-178.40000113.9L5 S6V2-L5 PolarHBondContact O-N 2.92Å; V2-S6 PolarHBondContact O-N 3.47Å; V2-S6 VanDerWaalsContact O-N 3.15Å
3V63.5Low70.4Confident102 Ų102116.8 Ų116.862%0.61860%0.596SS**Hα-helixtrans-65.3-43.1178.9-179.90000111.4M1 L5 S6 W7M1-V3 PolarHBondContact O-N 2.82Å; V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 2.99Å; V3-S6 WeakPolarHBondContact O-CB 3.31Å; V3-S6 PolarHBondContact O-N 3.38Å; V3-W7 VanDerWaalsContact O-CD1 3.22Å; V3-W7 PolarHBondContact O-N 3.49Å; V3-W7 VanDerWaalsContact O-N 3.09Å
4L65.4Low70.7Confident129 Ų129116.1 Ų116.168%0.67559%0.593SS**Hα-helixtrans-63.4-38.5179.9-118.6118.7000112.8M1 W7 L8M1-L4 PolarHBondContact O-N 3.19Å; L4-W7 PolarHBondContact O-N 3.36Å; L4-L8 PolarHBondContact O-N 2.93Å
5L68.3Low71.1Confident107 Ų107116.7 Ų116.756%0.5659%0.593SS**Hα-helixtrans-65.7-40.4175.2-81.9155.1000111.8M1 V2 V3 W7 L8 S9M1-L5 PolarHBondContact O-N 3.15Å; V2-L5 PolarHBondContact O-N 2.92Å; V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 2.99Å; L5-W7 PolarHBondContact O-N 3.37Å; L5-L8 PolarHBondContact O-N 3.49Å; L5-S9 PolarHBondContact O-N 3.45Å; L5-S9 PolarHBondContact O-OG 3.19Å
6S67.9Low71.4Confident59 Ų59115.4 Ų115.441%0.41359%0.588SS.*Hα-helixtrans-61.9-41.8175.8-176.90000112.4V2 V3 S9 I10V2-S6 PolarHBondContact O-N 3.47Å; V2-S6 VanDerWaalsContact O-N 3.15Å; V3-S6 WeakPolarHBondContact O-CB 3.31Å; V3-S6 PolarHBondContact O-N 3.38Å; S6-S9 VanDerWaalsContact CA-OG 3.31Å; S6-S9 WeakPolarHBondContact CA-OG 3.44Å; S6-S9 PolarHBondContact O-N 3.41Å; S6-S9 PolarHBondContact O-OG 2.89Å; S6-I10 WeakPolarHBondContact O-CD1 3.27Å; S6-I10 VanDerWaalsContact O-CG1 3.28Å; S6-I10 WeakPolarHBondContact O-CG1 3.37Å; S6-I10 PolarHBondContact O-N 3.03Å; S6-I10 VanDerWaalsContact O-N 3.11Å
7W72.5Confident71.4Confident170 Ų170110.5 Ų110.564%0.64457%0.569SS**Hα-helixtrans-68.5-39.8177.5-81.688.9000112V3 L4 L5 I10 I11V3-W7 VanDerWaalsContact O-CD1 3.22Å; V3-W7 PolarHBondContact O-N 3.49Å; V3-W7 VanDerWaalsContact O-N 3.09Å; L4-W7 PolarHBondContact O-N 3.36Å; L5-W7 PolarHBondContact O-N 3.37Å; W7-I10 PolarHBondContact O-N 3.48Å; W7-I11 VanDerWaalsContact O-CG1 3.28Å; W7-I11 WeakPolarHBondContact O-CG1 3.31Å; W7-I11 PolarHBondContact O-N 3.32Å
8L75.4Confident71.3Confident91 Ų91110.7 Ų110.748%0.47657%0.567SS.*Hα-helixtrans-61.3-42.4173.5-92.5152.2000112.4L4 L5 I10 I11 L12L4-L8 PolarHBondContact O-N 2.93Å; L5-L8 PolarHBondContact O-N 3.49Å; L8-I10 VanDerWaalsContact C-N 3.34Å; L8-I10 PolarHBondContact O-N 3.35Å; L8-I11 PolarHBondContact O-N 3.03Å; L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 2.96Å
9S72.6Confident71Confident69 Ų69107.5 Ų107.548%0.48356%0.559SS.*Hα-helixtrans-66.1-34.3175.839.60000113L5 S6 W13L5-S9 PolarHBondContact O-N 3.45Å; L5-S9 PolarHBondContact O-OG 3.19Å; S6-S9 VanDerWaalsContact CA-OG 3.31Å; S6-S9 WeakPolarHBondContact CA-OG 3.44Å; S6-S9 PolarHBondContact O-N 3.41Å; S6-S9 PolarHBondContact O-OG 2.89Å; S9-W13 VanDerWaalsContact O-CB 3.31Å; S9-W13 WeakPolarHBondContact O-CB 3.28Å; S9-W13 PolarHBondContact O-N 3.37Å
10I76.8Confident70.7Confident85 Ų85108.3 Ų108.344%0.43656%0.56SS.*Hα-helixtrans-70.4-39.9175.8-67.9163.5000110.8S6 W7 L8 W13 L14S6-I10 WeakPolarHBondContact O-CD1 3.27Å; S6-I10 VanDerWaalsContact O-CG1 3.28Å; S6-I10 WeakPolarHBondContact O-CG1 3.37Å; S6-I10 PolarHBondContact O-N 3.03Å; S6-I10 VanDerWaalsContact O-N 3.11Å; W7-I10 PolarHBondContact O-N 3.48Å; L8-I10 VanDerWaalsContact C-N 3.34Å; L8-I10 PolarHBondContact O-N 3.35Å; I10-W13 PolarHBondContact O-N 3.26Å; I10-L14 HydrophobicContact CG2-CD1 3.99Å; I10-L14 PolarHBondContact O-N 3.48Å
11I78.1Confident70.4Confident86 Ų86108.8 Ų108.844%0.44156%0.563SS.*Hα-helixtrans-64.6-47.3177-69.2166.2000110.8W7 L8 W13 L14 E15W7-I11 VanDerWaalsContact O-CG1 3.28Å; W7-I11 WeakPolarHBondContact O-CG1 3.31Å; W7-I11 PolarHBondContact O-N 3.32Å; L8-I11 PolarHBondContact O-N 3.03Å; I11-W13 VanDerWaalsContact C-N 3.26Å; I11-W13 PolarHBondContact O-N 3.11Å; I11-L14 PolarHBondContact O-N 2.96Å; I11-E15 PolarHBondContact O-N 3.09Å
12L76.9Confident70.8Confident107 Ų107105.4 Ų105.456%0.5654%0.544SS*.Hα-helixtrans-60.6-36.3175.1-88.6152.9000112.4L8 N16L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 2.96Å; L12-N16 VanDerWaalsContact O-CB 3.3Å; L12-N16 WeakPolarHBondContact O-CB 3.45Å; L12-N16 PolarHBondContact O-N 3.45Å
13W78.4Confident71Confident197 Ų197105.1 Ų105.175%0.74654%0.539SS*.Hα-helixtrans-71-38.5176.8-147.883.9000111.9S9 I10 I11 A17S9-W13 VanDerWaalsContact O-CB 3.31Å; S9-W13 WeakPolarHBondContact O-CB 3.28Å; S9-W13 PolarHBondContact O-N 3.37Å; I10-W13 PolarHBondContact O-N 3.26Å; I11-W13 VanDerWaalsContact C-N 3.26Å; I11-W13 PolarHBondContact O-N 3.11Å; W13-A17 VanDerWaalsContact O-CB 3.27Å; W13-A17 WeakPolarHBondContact O-CB 3.45Å; W13-A17 PolarHBondContact O-N 3.06Å
14L74.3Confident71Confident106 Ų106105.9 Ų105.956%0.55554%0.536SS*.Hα-helixtrans-65.4-44.8173.5-11199.8000112.1I10 I11 N16 A17 Q18I10-L14 HydrophobicContact CG2-CD1 3.99Å; I10-L14 PolarHBondContact O-N 3.48Å; I11-L14 PolarHBondContact O-N 2.96Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.47Å; L14-A17 PolarHBondContact O-N 3.39Å; L14-Q18 VanDerWaalsContact O-CB 3.32Å; L14-Q18 WeakPolarHBondContact O-CB 3.32Å; L14-Q18 PolarHBondContact O-N 2.77Å
15E77.1Confident71Confident125 Ų125101.6 Ų101.658%0.58452%0.522SS*.Hα-helixtrans-62.1-41.9177.3-77.5179.4163.300111.3I11 Q18 A19I11-E15 PolarHBondContact O-N 3.09Å; E15-Q18 PolarHBondContact O-N 3.35Å; E15-A19 WeakPolarHBondContact O-CB 3.38Å; E15-A19 PolarHBondContact O-N 3.31Å
16N75.3Confident70.7Confident96 Ų96101.5 Ų101.551%0.51352%0.522SS..Hα-helixtrans-70.5-37.1178.1-161.959.9000112.5L12 L14 Q18 Q20L12-N16 VanDerWaalsContact O-CB 3.3Å; L12-N16 WeakPolarHBondContact O-CB 3.45Å; L12-N16 PolarHBondContact O-N 3.45Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.47Å; N16-Q18 VanDerWaalsContact C-N 3.34Å; N16-Q20 WeakPolarHBondContact O-CG 3.4Å; N16-Q20 PolarHBondContact O-N 2.82Å
17A70.6Confident70.4Confident32 Ų32105.3 Ų105.326%0.26453%0.532SS..Hα-helixtrans-66.1-3817400000111.8W13 L14 Q20 L21W13-A17 VanDerWaalsContact O-CB 3.27Å; W13-A17 WeakPolarHBondContact O-CB 3.45Å; W13-A17 PolarHBondContact O-N 3.06Å; L14-A17 PolarHBondContact O-N 3.39Å; A17-Q20 PolarHBondContact O-N 3.31Å; A17-L21 PolarHBondContact O-N 2.92Å; A17-L21 VanDerWaalsContact O-N 3.07Å
18Q69.6Low70.3Confident115 Ų115103 Ų10354%0.53752%0.524SS..Hα-helixtrans-70.9-39.3177.2-168.1154.3-2400111.9L14 E15 N16 Q20 L21 E22L14-Q18 VanDerWaalsContact O-CB 3.32Å; L14-Q18 WeakPolarHBondContact O-CB 3.32Å; L14-Q18 PolarHBondContact O-N 2.77Å; E15-Q18 PolarHBondContact O-N 3.35Å; N16-Q18 VanDerWaalsContact C-N 3.34Å; Q18-Q20 VanDerWaalsContact C-N 3.35Å; Q18-Q20 PolarHBondContact O-N 2.9Å; Q18-L21 PolarHBondContact O-N 3.09Å; Q18-E22 WeakPolarHBondContact O-CG 3.12Å; Q18-E22 PolarHBondContact O-N 3.45Å
19A65.7Low69.8Low50 Ų50102 Ų10241%0.41352%0.524SS..Hα-helixtrans-62.9-38.6173.100000112.6E15 E22 D23E15-A19 WeakPolarHBondContact O-CB 3.38Å; E15-A19 PolarHBondContact O-N 3.31Å; A19-E22 PolarHBondContact O-N 3.35Å; A19-D23 WeakPolarHBondContact O-CB 3.36Å; A19-D23 PolarHBondContact O-N 3.47Å
20Q65.1Low69.6Low122 Ų122105.6 Ų105.657%0.5753%0.534SS*.Hα-helixtrans-67.7-38.9175.3-76.5-177.9-29.400112.7N16 A17 Q18 D23 E24N16-Q20 WeakPolarHBondContact O-CG 3.4Å; N16-Q20 PolarHBondContact O-N 2.82Å; A17-Q20 PolarHBondContact O-N 3.31Å; Q18-Q20 VanDerWaalsContact C-N 3.35Å; Q18-Q20 PolarHBondContact O-N 2.9Å; Q20-D23 PolarHBondContact O-N 3.32Å; Q20-E24 PolarHBondContact O-N 3.15Å
21L65.9Low69.8Low119 Ų119103.4 Ų103.462%0.62352%0.523SS*.Hα-helixtrans-65.1-37.9174.3-85.5157.5000112.2A17 Q18 G25A17-L21 PolarHBondContact O-N 2.92Å; A17-L21 VanDerWaalsContact O-N 3.07Å; Q18-L21 PolarHBondContact O-N 3.09Å; L21-G25 PolarHBondContact O-N 3.5Å
22E65.9Low70.1Confident123 Ų123101.2 Ų101.258%0.57551%0.513SS*.Hα-helixtrans-69.1-39.5175.1-76.3-179.4178.100112.3Q18 A19 G25 N26Q18-E22 WeakPolarHBondContact O-CG 3.12Å; Q18-E22 PolarHBondContact O-N 3.45Å; A19-E22 PolarHBondContact O-N 3.35Å; E22-G25 PolarHBondContact O-N 2.93Å; E22-N26 WeakPolarHBondContact O-CB 3.49Å; E22-N26 PolarHBondContact O-N 2.93Å; E22-N26 PolarHBondContact O-ND2 3.04Å
23D65.3Low70.6Confident118 Ų11898.9 Ų98.963%0.63151%0.506SS*.Hα-helixtrans-69.8-42.5178.4-161.734.9000112.1A19 Q20 N26 F27A19-D23 WeakPolarHBondContact O-CB 3.36Å; A19-D23 PolarHBondContact O-N 3.47Å; Q20-D23 PolarHBondContact O-N 3.32Å; D23-N26 PolarHBondContact O-N 3.48Å; D23-F27 WeakPolarHBondContact O-CB 3.03Å; D23-F27 PolarHBondContact O-N 3.22Å
24E63.9Low71.1Confident118 Ų11896.8 Ų96.855%0.55150%0.498SS*.Hα-helixtrans-59.9-47.4170.5-81.9-167.9152.400110.9Q20 N26 F27 Y28Q20-E24 PolarHBondContact O-N 3.15Å; E24-N26 VanDerWaalsContact C-N 3.34Å; E24-N26 PolarHBondContact O-N 3.45Å; E24-F27 PolarHBondContact O-N 2.97Å; E24-Y28 HydrophobicContact CB-CD2 4.42Å; E24-Y28 HydrophobicContact CB-CE2 4.31Å; E24-Y28 WeakPolarHBondContact O-CD2 3.48Å; E24-Y28 PolarHBondContact O-N 3.41Å
25G64.8Low71.8Confident38 Ų3892.7 Ų92.739%0.39248%0.476SS..Hα-helixtrans-58.1-42.3178.700000113.4L21 E22 Y28 S29L21-G25 PolarHBondContact O-N 3.5Å; E22-G25 PolarHBondContact O-N 2.93Å; G25-Y28 PolarHBondContact O-N 3.02Å; G25-S29 WeakPolarHBondContact O-CB 3.38Å; G25-S29 PolarHBondContact O-N 2.96Å
26N63.1Low72.3Confident105 Ų10588.3 Ų88.356%0.56146%0.457SS*.Hα-helixtrans-67-42.6176.1-78.2-23000112E22 D23 E24 Y28 S29 E30E22-N26 WeakPolarHBondContact O-CB 3.49Å; E22-N26 PolarHBondContact O-N 2.93Å; E22-N26 PolarHBondContact O-ND2 3.04Å; D23-N26 PolarHBondContact O-N 3.48Å; E24-N26 VanDerWaalsContact C-N 3.34Å; E24-N26 PolarHBondContact O-N 3.45Å; N26-Y28 PolarHBondContact O-N 3.38Å; N26-S29 PolarHBondContact O-N 2.94Å; N26-E30 PolarHBondContact O-N 3.41Å
27F62.2Low73Confident140 Ų14088.9 Ų88.961%0.61446%0.46SS*.Hα-helixtrans-62-41.4176.3-174.1-98.7000112.3D23 E24 N31D23-F27 WeakPolarHBondContact O-CB 3.03Å; D23-F27 PolarHBondContact O-N 3.22Å; E24-F27 PolarHBondContact O-N 2.97Å; F27-N31 WeakPolarHBondContact O-CB 3.39Å; F27-N31 PolarHBondContact O-N 2.98Å; F27-N31 VanDerWaalsContact O-N 3.15Å
28Y68.9Low74Confident122 Ų12292 Ų9248%0.47847%0.472SS..Hα-helixtrans-63.1-43.2173.9-79.6-70.6000111.8E24 G25 N26 N31 V32 P97E24-Y28 HydrophobicContact CB-CD2 4.42Å; E24-Y28 HydrophobicContact CB-CE2 4.31Å; E24-Y28 WeakPolarHBondContact O-CD2 3.48Å; E24-Y28 PolarHBondContact O-N 3.41Å; G25-Y28 PolarHBondContact O-N 3.02Å; N26-Y28 PolarHBondContact O-N 3.38Å; Y28-N31 PolarHBondContact O-N 3.43Å; Y28-V32 VanDerWaalsContact O-CG2 3.3Å; Y28-V32 WeakPolarHBondContact O-CG2 3.19Å; Y28-V32 PolarHBondContact O-N 3.07Å; Y28-V32 VanDerWaalsContact O-N 3.08Å; Y28-P97 HydrophobicContact CD1-CG 4.07Å; Y28-P97 HydrophobicContact CE1-CB 4.1Å; Y28-P97 HydrophobicContact CE1-CG 4.13Å
29S65.7Low75.1Confident69 Ų6987.3 Ų87.348%0.48345%0.451SS..Hα-helixtrans-65.5-45.6-179.7-174.60000113.2G25 N26 N31 V32 S33G25-S29 WeakPolarHBondContact O-CB 3.38Å; G25-S29 PolarHBondContact O-N 2.96Å; N26-S29 PolarHBondContact O-N 2.94Å; S29-N31 VanDerWaalsContact C-N 3.33Å; S29-N31 PolarHBondContact O-N 3.32Å; S29-V32 PolarHBondContact O-N 3.43Å; S29-S33 PolarHBondContact O-N 3.04Å; S29-S33 PolarHBondContact O-OG 3.45Å
30E67.1Low76.4Confident145 Ų14586.7 Ų86.768%0.67844%0.44SS*.Hα-helixtrans-63.8-40177.2-75.6-16816300111.6N26 V32 S33 R34N26-E30 PolarHBondContact O-N 3.41Å; E30-V32 PolarHBondContact O-N 2.98Å; E30-S33 PolarHBondContact O-N 3.48Å; E30-R34 PolarHBondContact O-N 2.91Å
31N81.3Confident77.7Confident39 Ų3988.2 Ų88.221%0.20945%0.447CS..Hα-helixtrans-66.7-38.4178.8-160.320.1000111.8F27 Y28 S29 R34 I35F27-N31 WeakPolarHBondContact O-CB 3.39Å; F27-N31 PolarHBondContact O-N 2.98Å; F27-N31 VanDerWaalsContact O-N 3.15Å; Y28-N31 PolarHBondContact O-N 3.43Å; S29-N31 VanDerWaalsContact C-N 3.33Å; S29-N31 PolarHBondContact O-N 3.32Å; N31-R34 PolarHBondContact OD1-NH2 3.41Å; N31-I35 WeakPolarHBondContact O-CD1 3.44Å; N31-I35 WeakPolarHBondContact O-CG1 3.02Å; N31-I35 PolarHBondContact O-N 2.86Å
32V84.1Confident79Confident39 Ų3986.6 Ų86.624%0.23646%0.459CS..Hα-helixtrans-67.6-41.7175.5172.50000111.6Y28 S29 E30 R34 I35 L36 L101Y28-V32 VanDerWaalsContact O-CG2 3.3Å; Y28-V32 WeakPolarHBondContact O-CG2 3.19Å; Y28-V32 PolarHBondContact O-N 3.07Å; Y28-V32 VanDerWaalsContact O-N 3.08Å; S29-V32 PolarHBondContact O-N 3.43Å; E30-V32 PolarHBondContact O-N 2.98Å; V32-R34 PolarHBondContact O-N 2.9Å; V32-I35 WeakPolarHBondContact O-CB 3.32Å; V32-I35 PolarHBondContact O-N 3.33Å; V32-L36 HydrophobicContact CG1-CD1 4.04Å; V32-L36 HydrophobicContact CG1-CG 4.38Å; V32-L36 WeakPolarHBondContact O-CG 3.45Å; V32-L36 PolarHBondContact O-N 3.45Å; V32-L101 HydrophobicContact CG1-CD2 4.33Å
33S87.6Confident80.4Confident58 Ų5882.1 Ų82.141%0.40644%0.437SS..Hα-helixtrans-60.8-46178.4-58.20000111.2S29 E30 I35 L36 D37S29-S33 PolarHBondContact O-N 3.04Å; S29-S33 PolarHBondContact O-OG 3.45Å; E30-S33 PolarHBondContact O-N 3.48Å; S33-I35 VanDerWaalsContact C-N 3.33Å; S33-I35 PolarHBondContact O-N 2.92Å; S33-L36 PolarHBondContact O-N 2.85Å; S33-L36 VanDerWaalsContact O-N 3.14Å; S33-D37 PolarHBondContact O-N 3.48Å
34R88.8Confident81.8Confident153 Ų15378.6 Ų78.658%0.57742%0.418SS*.Hα-helixtrans-61.9-38.5174.7-171.7179.864.2173.3-3.6112.8E30 N31 V32 L36 N38E30-R34 PolarHBondContact O-N 2.91Å; N31-R34 PolarHBondContact OD1-NH2 3.41Å; V32-R34 PolarHBondContact O-N 2.9Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-N38 WeakPolarHBondContact O-CB 3.44Å; R34-N38 PolarHBondContact O-N 2.69Å; R34-N38 PolarHBondContact O-ND2 3.18Å; R34-N38 PolarHBondContact O-OD1 3.28Å
35I89.1Confident83.3Confident20 Ų2076.2 Ų76.210%0.10341%0.409CS..Hα-helixtrans-61.7-43.6174.7-71.9163.6000110.5N31 V32 S33 L39 F94N31-I35 WeakPolarHBondContact O-CD1 3.44Å; N31-I35 WeakPolarHBondContact O-CG1 3.02Å; N31-I35 PolarHBondContact O-N 2.86Å; V32-I35 WeakPolarHBondContact O-CB 3.32Å; V32-I35 PolarHBondContact O-N 3.33Å; S33-I35 VanDerWaalsContact C-N 3.33Å; S33-I35 PolarHBondContact O-N 2.92Å; I35-L39 HydrophobicContact CG2-CD1 3.85Å; I35-L39 HydrophobicContact CG2-CG 4.43Å; I35-L39 WeakPolarHBondContact O-CB 3.32Å; I35-L39 WeakPolarHBondContact O-CD1 3.28Å; I35-L39 VanDerWaalsContact O-CG 3.23Å; I35-L39 WeakPolarHBondContact O-CG 3.38Å; I35-L39 PolarHBondContact O-N 2.88Å; I35-F94 HydrophobicContact CG2-CB 3.84Å; I35-F94 HydrophobicContact CG2-CD2 4.01Å; I35-F94 HydrophobicContact CG2-CG 4.12Å
36L88.9Confident84.7Confident33 Ų3383.5 Ų83.517%0.17343%0.425CS..Hα-helixtrans-67.6-40.8-179.6-69.5171.6000112.8V32 S33 R34 L39 L40 L101 L103 M107V32-L36 HydrophobicContact CG1-CD1 4.04Å; V32-L36 HydrophobicContact CG1-CG 4.38Å; V32-L36 WeakPolarHBondContact O-CG 3.45Å; V32-L36 PolarHBondContact O-N 3.45Å; S33-L36 PolarHBondContact O-N 2.85Å; S33-L36 VanDerWaalsContact O-N 3.14Å; R34-L36 VanDerWaalsContact C-N 3.33Å; L36-L39 HydrophobicContact CD2-CD1 4.38Å; L36-L39 PolarHBondContact O-N 3.33Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.12Å; L36-L101 HydrophobicContact CD2-CD1 4.36Å; L36-L103 HydrophobicContact CD1-CD2 3.91Å; L36-L103 HydrophobicContact CD2-CD1 3.64Å; L36-L103 HydrophobicContact CD2-CD2 3.91Å; L36-L103 HydrophobicContact CD2-CG 4.46Å; L36-M107 HydrophobicContact CD2-CE 4.48Å
37D90.4Very high86.2Confident108 Ų10881.4 Ų81.458%0.57841%0.413SS*.Hα-helixtrans-64.9-44.5176.8-69.9-26.3000111.1S33 L39 L40 E41S33-D37 PolarHBondContact O-N 3.48Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 2.8Å; D37-L40 PolarHBondContact O-N 3.26Å; D37-L40 VanDerWaalsContact O-N 3.16Å; D37-E41 PolarHBondContact O-N 3.15Å
38N90.9Very high87.8Confident99 Ų9975.1 Ų75.153%0.52939%0.386SS..Hα-helixtrans-62.7-34.8175.5-69.3-9.7000112.6R34 L40R34-N38 WeakPolarHBondContact O-CB 3.44Å; R34-N38 PolarHBondContact O-N 2.69Å; R34-N38 PolarHBondContact O-ND2 3.18Å; R34-N38 PolarHBondContact O-OD1 3.28Å; N38-L40 VanDerWaalsContact C-N 3.29Å; N38-L40 PolarHBondContact O-N 3.37Å
39L91.6Very high89.1Confident16 Ų1669.7 Ų69.78%0.08437%0.365CS..Hα-helixtrans-67.4-30.5177-82.6166.7000112.8I35 L36 D37 L92 F94 L138I35-L39 HydrophobicContact CG2-CD1 3.85Å; I35-L39 HydrophobicContact CG2-CG 4.43Å; I35-L39 WeakPolarHBondContact O-CB 3.32Å; I35-L39 WeakPolarHBondContact O-CD1 3.28Å; I35-L39 VanDerWaalsContact O-CG 3.23Å; I35-L39 WeakPolarHBondContact O-CG 3.38Å; I35-L39 PolarHBondContact O-N 2.88Å; L36-L39 HydrophobicContact CD2-CD1 4.38Å; L36-L39 PolarHBondContact O-N 3.33Å; D37-L39 VanDerWaalsContact C-N 3.3Å; D37-L39 PolarHBondContact O-N 2.8Å; L39-L92 HydrophobicContact CB-CD2 4.41Å; L39-L92 HydrophobicContact CD2-CB 4.49Å; L39-L92 HydrophobicContact CD2-CD2 4.35Å; L39-F94 HydrophobicContact CD1-CB 3.99Å; L39-F94 HydrophobicContact CD1-CD1 4.35Å; L39-F94 HydrophobicContact CD1-CG 4.34Å; L39-F94 HydrophobicContact CD2-CB 4.05Å; L39-F94 HydrophobicContact CG-CB 4.26Å; L39-L138 HydrophobicContact CD1-CD2 4.04Å
40L93.1Very high90.4Very high36 Ų3668.5 Ų68.519%0.18836%0.363CS..Hα-helixtrans-92.8-14.5-178-69.2175.6000112.9L36 D37 N38 G42 Y43 M107 K110 I111L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.12Å; D37-L40 PolarHBondContact O-N 3.26Å; D37-L40 VanDerWaalsContact O-N 3.16Å; N38-L40 VanDerWaalsContact C-N 3.29Å; N38-L40 PolarHBondContact O-N 3.37Å; L40-G42 PolarHBondContact O-N 2.98Å; L40-Y43 PolarHBondContact O-N 2.83Å; L40-Y43 VanDerWaalsContact O-N 3.14Å; L40-M107 HydrophobicContact CD1-CE 3.97Å; L40-M107 HydrophobicContact CD1-SD 3.95Å; L40-M107 HydrophobicContact CD2-CE 3.57Å; L40-M107 HydrophobicContact CD2-SD 4.29Å; L40-M107 HydrophobicContact CG-CE 3.85Å; L40-M107 HydrophobicContact CG-SD 4.47Å; L40-K110 HydrophobicContact CD1-CD 3.69Å; L40-K110 HydrophobicContact CD2-CB 4.11Å; L40-I111 HydrophobicContact CD2-CG2 4.3Å
41E93.7Very high91.7Very high155 Ų15567.8 Ų67.872%0.72436%0.358SS*.THydrogen-bonded Turntrans-62.2116.7176.7-167.6176.7-171.500110.6D37 Y43D37-E41 PolarHBondContact O-N 3.15Å; E41-Y43 PolarHBondContact O-N 3.37Å
42G91.9Very high92.1Very high84 Ų8469.7 Ų69.787%0.86639%0.388SS*.THydrogen-bonded Turntrans73.67-178.400000115.3L40 D44L40-G42 PolarHBondContact O-N 2.98Å; G42-D44 PolarHBondContact O-N 2.98Å
43Y95.8Very high92.5Very high30 Ų3070.3 Ų70.312%0.11840%0.401CS..  trans-75.6118.7176.4-171.1-83.4000111.4L40 E41 N45 D89 R91 L92 I111 W112L40-Y43 PolarHBondContact O-N 2.83Å; L40-Y43 VanDerWaalsContact O-N 3.14Å; E41-Y43 PolarHBondContact O-N 3.37Å; Y43-N45 HydrophobicContact CD1-CB 4.36Å; Y43-N45 HydrophobicContact CE1-CB 4.03Å; Y43-D89 WeakPolarHBondContact CE2-OD2 3.2Å; Y43-D89 PolarHBondContact OH-OD2 3.45Å; Y43-R91 HydrophobicContact CD2-CB 4.02Å; Y43-R91 HydrophobicContact CE2-CB 3.97Å; Y43-R91 PolarHBondContact OH-NH2 2.85Å; Y43-R91 VanDerWaalsContact OH-NH2 3.14Å; Y43-L92 HydrophobicContact CD2-CD2 3.96Å; Y43-L92 HydrophobicContact CD2-CG 4.26Å; Y43-L92 HydrophobicContact CE2-CD1 3.93Å; Y43-L92 HydrophobicContact CE2-CD2 3.91Å; Y43-L92 HydrophobicContact CE2-CG 3.75Å; Y43-I111 HydrophobicContact CE1-CB 4.1Å; Y43-I111 HydrophobicContact CE1-CG2 4.32Å; Y43-W112 PolarHBondContact OH-N 3.33Å; Y43-W112 VanDerWaalsContact OH-N 3.16Å
44D95.1Very high92.9Very high44 Ų4471.2 Ų71.224%0.23541%0.413CS..  trans-97.5110.8172.1-166.6-18.1000110.9G42 R46 L47 R91G42-D44 PolarHBondContact O-N 2.98Å; D44-R46 VanDerWaalsContact C-N 3.27Å; D44-R46 PolarHBondContact O-N 2.93Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.15Å; D44-R46 WeakPolarHBondContact OD1-CG 3.39Å; D44-R46 IonicContact OD1-CZ 3.58Å; D44-R46 PolarHBondContact OD1-N 2.85Å; D44-R46 IonicContact OD1-NE 2.89Å; D44-R46 PolarHBondContact OD1-NE 3.48Å; D44-R46 IonicContact OD1-NH2 2.69Å; D44-R46 IonicContact OD2-CZ 3.38Å; D44-R46 IonicContact OD2-NE 2.76Å; D44-R46 PolarHBondContact OD2-NE 3.07Å; D44-R46 IonicContact OD2-NH2 3.83Å; D44-R46 PolarHBondContact OD2-NH2 3.47Å; D44-L47 HydrophobicContact CB-CD1 4.24Å; D44-L47 HydrophobicContact CB-CG 4.38Å; D44-L47 PolarHBondContact O-N 3.14Å; D44-R91 PolarHBondContact O-NH1 2.88Å
45N94.8Very high93.2Very high68 Ų6867 Ų6736%0.36440%0.404SS..THydrogen-bonded Turntrans-75.8-9.8-179.367.6-4.1000114.4Y43 L47 S109 K110Y43-N45 HydrophobicContact CD1-CB 4.36Å; Y43-N45 HydrophobicContact CE1-CB 4.03Å; N45-L47 VanDerWaalsContact C-N 3.28Å; N45-S109 PolarHBondContact ND2-O 2.61Å; N45-K110 WeakPolarHBondContact CB-O 3.36Å
46R94.3Very high93.6Very high190 Ų19066.5 Ų66.572%0.71740%0.402SS*.THydrogen-bonded Turntrans-77.9-19.2175.5-56.8172.1-64.9174.93.4111.8D44D44-R46 VanDerWaalsContact C-N 3.27Å; D44-R46 PolarHBondContact O-N 2.93Å; D44-R46 VanDerWaalsContact OD1-CB 3.28Å; D44-R46 WeakPolarHBondContact OD1-CB 3.15Å; D44-R46 WeakPolarHBondContact OD1-CG 3.39Å; D44-R46 IonicContact OD1-CZ 3.58Å; D44-R46 PolarHBondContact OD1-N 2.85Å; D44-R46 IonicContact OD1-NE 2.89Å; D44-R46 PolarHBondContact OD1-NE 3.48Å; D44-R46 IonicContact OD1-NH2 2.69Å; D44-R46 IonicContact OD2-CZ 3.38Å; D44-R46 IonicContact OD2-NE 2.76Å; D44-R46 PolarHBondContact OD2-NE 3.07Å; D44-R46 IonicContact OD2-NH2 3.83Å; D44-R46 PolarHBondContact OD2-NH2 3.47Å
47L95.5Very high94.1Very high61 Ų6168.8 Ų68.832%0.31941%0.411SS..SBendtrans-103.1126.5-176.2-58179.3000110.8D44 N45 F51 R91D44-L47 HydrophobicContact CB-CD1 4.24Å; D44-L47 HydrophobicContact CB-CG 4.38Å; D44-L47 PolarHBondContact O-N 3.14Å; N45-L47 VanDerWaalsContact C-N 3.28Å; L47-F51 HydrophobicContact CB-CB 4.37Å; L47-F51 HydrophobicContact CB-CG 4.49Å; L47-F51 HydrophobicContact CD2-CD1 4.21Å; L47-F51 HydrophobicContact CD2-CD2 4.04Å; L47-F51 HydrophobicContact CD2-CE1 4.25Å; L47-F51 HydrophobicContact CD2-CE2 4.08Å; L47-F51 HydrophobicContact CD2-CG 4.1Å; L47-F51 HydrophobicContact CD2-CZ 4.18Å; L47-R91 PolarHBondContact O-NH1 3.07Å; L47-R91 PolarHBondContact O-NH2 3.03Å
48R95.9Very high94.4Very high9 Ų963.6 Ų63.63%0.03438%0.384CS..PPolyproline II helixtrans-63.2154173.472171.6-177.879.70.7111.4G50 F51 A54 T56 W112 E183R48-G50 PolarHBondContact NH1-O 3.4Å; R48-G50 PolarHBondContact NH2-O 3.06Å; R48-G50 PolarHBondContact O-N 2.97Å; R48-F51 HydrophobicContact CG-CB 4.4Å; R48-F51 HydrophobicContact CG-CD2 4.42Å; R48-F51 WeakPolarHBondContact O-CB 3.32Å; R48-F51 PolarHBondContact O-N 3.47Å; R48-A54 PolarHBondContact NH1-O 3.34Å; R48-T56 PolarHBondContact NH1-OG1 3.19Å; R48-W112 HydrophobicContact CB-CD2 4.19Å; R48-W112 HydrophobicContact CB-CH2 4.33Å; R48-W112 HydrophobicContact CB-CZ2 3.67Å; R48-E183 IonicContact NE-OE2 3.72Å; R48-E183 PolarHBondContact NE-OE2 2.95Å; R48-E183 VanDerWaalsContact NE-OE2 3.17Å
49P96.3Very high94.8Very high8 Ų863 Ų635%0.05238%0.376CS..THydrogen-bonded Turntrans-59.3130.7171.3-18.528.9000110.8T56 D89 W112P49-T56 HydrophobicContact CB-CG2 4.43Å; P49-T56 HydrophobicContact CG-CG2 4.32Å; P49-T56 PolarHBondContact O-OG1 3.49Å; P49-D89 HydrophobicContact CB-CB 4.07Å; P49-D89 HydrophobicContact CG-CB 3.8Å; P49-W112 HydrophobicContact CG-CE3 3.88Å; P49-W112 HydrophobicContact CG-CZ3 4.1Å
50G92.8Very high95.1Very high43 Ų4362.2 Ų62.244%0.44337%0.372SS..THydrogen-bonded Turntrans75.124.3-176.900000114.3R48 G52 G53R48-G50 PolarHBondContact NH1-O 3.4Å; R48-G50 PolarHBondContact NH2-O 3.06Å; R48-G50 PolarHBondContact O-N 2.97Å; G50-G52 PolarHBondContact O-N 3.07Å; G50-G53 CarbonylContact O-C 3.17Å; G50-G53 WeakPolarHBondContact O-CA 3.41Å; G50-G53 PolarHBondContact O-N 3Å
51F93.4Very high95.3Very high130 Ų13060.8 Ų60.857%0.5737%0.365SS*.THydrogen-bonded Turntrans-51.8130.9174.1-174.8-95.7000111.8L47 R48 G53L47-F51 HydrophobicContact CB-CB 4.37Å; L47-F51 HydrophobicContact CB-CG 4.49Å; L47-F51 HydrophobicContact CD2-CD1 4.21Å; L47-F51 HydrophobicContact CD2-CD2 4.04Å; L47-F51 HydrophobicContact CD2-CE1 4.25Å; L47-F51 HydrophobicContact CD2-CE2 4.08Å; L47-F51 HydrophobicContact CD2-CG 4.1Å; L47-F51 HydrophobicContact CD2-CZ 4.18Å; R48-F51 HydrophobicContact CG-CB 4.4Å; R48-F51 HydrophobicContact CG-CD2 4.42Å; R48-F51 WeakPolarHBondContact O-CB 3.32Å; R48-F51 PolarHBondContact O-N 3.47Å; F51-G53 PolarHBondContact O-N 3.38Å
52G90.2Very high95.4Very high80 Ų8053.5 Ų53.583%0.82533%0.331SS*.THydrogen-bonded Turntrans74.51.2-17500000115.2G50G50-G52 PolarHBondContact O-N 3.07Å
53G93.1Very high95.7Very high51 Ų5152.8 Ų52.853%0.52630%0.303SS..SBendtrans-133.3-132-179.100000112.5G50 F51G50-G53 CarbonylContact O-C 3.17Å; G50-G53 WeakPolarHBondContact O-CA 3.41Å; G50-G53 PolarHBondContact O-N 3Å; F51-G53 PolarHBondContact O-N 3.38Å
54A94.9Very high95.7Very high78 Ų7851.4 Ų51.465%0.64530%0.297SS*.SBendtrans-59.5153-174.700000113.5R48R48-A54 PolarHBondContact NH1-O 3.34Å
55V96.5Very high95.7Very high64 Ų6450.8 Ų50.839%0.38830%0.295SS..  trans-66.3135.4174.6-173.90000109.6E57 E183 I185V55-E57 PolarHBondContact O-N 3.08Å; V55-E183 WeakPolarHBondContact CG1-O 3.27Å; V55-I185 HydrophobicContact CG1-CB 4.29Å; V55-I185 HydrophobicContact CG1-CD1 4.41Å; V55-I185 HydrophobicContact CG1-CG1 3.89Å; V55-I185 HydrophobicContact CG1-CG2 3.84Å
56T97.5Very high95.7Very high9 Ų949.4 Ų49.46%0.05529%0.291CS..EExtended strand (participates in β ladder)trans-80.5115.2173.3-44.60000109.3R48 P49 W112 E183 I184 I185R48-T56 PolarHBondContact NH1-OG1 3.19Å; P49-T56 HydrophobicContact CB-CG2 4.43Å; P49-T56 HydrophobicContact CG-CG2 4.32Å; P49-T56 PolarHBondContact O-OG1 3.49Å; T56-W112 HydrophobicContact CG2-CH2 4.33Å; T56-W112 HydrophobicContact CG2-CZ3 4.36Å; T56-E183 PolarHBondContact N-O 3Å; T56-I184 WeakPolarHBondContact O-CA 3.34Å; T56-I185 PolarHBondContact O-N 3.28Å; T56-I185 VanDerWaalsContact O-N 3.09Å
57E97.5Very high95.7Very high81 Ų8140.7 Ų40.738%0.37926%0.258SS..EExtended strand (participates in β ladder)trans-84.3124.4172.5-171.4-169.5-169.900110.5V55 K59 I185 T187V55-E57 PolarHBondContact O-N 3.08Å; E57-K59 VanDerWaalsContact CD-CE 3.4Å; E57-K59 HydrophobicContact CG-CG 4.43Å; E57-K59 VanDerWaalsContact OE1-CE 3.32Å; E57-K59 WeakPolarHBondContact OE1-CE 3.47Å; E57-K59 WeakPolarHBondContact OE2-CE 3.44Å; E57-K59 IonicContact OE2-NZ 2.86Å; E57-I185 HydrophobicContact CB-CD1 4.39Å; E57-I185 HydrophobicContact CB-CG1 4.13Å; E57-I185 HydrophobicContact CG-CD1 4.27Å; E57-I185 HydrophobicContact CG-CG1 4.13Å; E57-T187 HydrophobicContact CG-CG2 4.19Å; E57-T187 WeakPolarHBondContact OE1-CG2 3.35Å; E57-T187 PolarHBondContact OE1-OG1 2.96Å
58V98.2Very high95.4Very high0 Ų038.5 Ų38.50%025%0.25CS..EExtended strand (participates in β ladder)trans-111.8105.4175.1-176.70000109.1T60 Q85 W87 P114 I184 I185 Y186 T187V58-T60 HydrophobicContact CG1-CG2 4.24Å; V58-Q85 HydrophobicContact CG1-CB 4.14Å; V58-W87 HydrophobicContact CG2-CB 4.32Å; V58-P114 HydrophobicContact CG1-CG 4.22Å; V58-P114 HydrophobicContact CG2-CB 4.17Å; V58-P114 HydrophobicContact CG2-CG 4.44Å; V58-I184 HydrophobicContact CG2-CG2 3.91Å; V58-I185 PolarHBondContact N-O 3.28Å; V58-Y186 HydrophobicContact CB-CD1 4.1Å; V58-Y186 HydrophobicContact CB-CE1 4.11Å; V58-Y186 HydrophobicContact CG1-CD1 4.09Å; V58-Y186 HydrophobicContact CG1-CE1 3.89Å; V58-Y186 WeakPolarHBondContact O-CA 3.18Å; V58-T187 PolarHBondContact O-N 3.13Å; V58-T187 VanDerWaalsContact O-N 3.09Å
59K98.1Very high95.3Very high86 Ų8642.9 Ų42.937%0.37428%0.28SS..EExtended strand (participates in β ladder)trans-80.9128.1176.7-67.6176.3-176.2179.80110.1E57 Q85 T86 T187 K189E57-K59 VanDerWaalsContact CD-CE 3.4Å; E57-K59 HydrophobicContact CG-CG 4.43Å; E57-K59 VanDerWaalsContact OE1-CE 3.32Å; E57-K59 WeakPolarHBondContact OE1-CE 3.47Å; E57-K59 WeakPolarHBondContact OE2-CE 3.44Å; E57-K59 IonicContact OE2-NZ 2.86Å; K59-Q85 CarbonylContact O-C 3.56Å; K59-Q85 WeakPolarHBondContact O-CA 3.19Å; K59-T86 PolarHBondContact N-O 2.92Å; K59-T86 PolarHBondContact O-N 3.2Å; K59-T187 CarbonylContact C-O 3.41Å; K59-T187 VanDerWaalsContact CA-O 3.31Å; K59-T187 WeakPolarHBondContact CA-O 3.38Å; K59-T187 WeakPolarHBondContact CG-OG1 3.49Å; K59-K189 HydrophobicContact CB-CB 4.07Å; K59-K189 HydrophobicContact CB-CG 4.29Å
60T97.8Very high95.2Very high0 Ų043.3 Ų43.30%028%0.282CS..EExtended strand (participates in β ladder)trans-119.4145-176.7560000113V58 F83 R84 Q85 F174 Y186 T187 K189 S195V58-T60 HydrophobicContact CG1-CG2 4.24Å; T60-F83 HydrophobicContact CG2-CZ 4.32Å; T60-R84 WeakPolarHBondContact CA-O 3.44Å; T60-Q85 HydrophobicContact CG2-CG 4.28Å; T60-F174 HydrophobicContact CG2-CE2 4.11Å; T60-Y186 HydrophobicContact CG2-CD1 3.75Å; T60-Y186 HydrophobicContact CG2-CE1 4.29Å; T60-T187 PolarHBondContact N-O 3.34Å; T60-T187 PolarHBondContact OG1-O 3.14Å; T60-K189 WeakPolarHBondContact O-CB 3.33Å; T60-K189 PolarHBondContact O-N 2.76Å; T60-S195 PolarHBondContact O-OG 3.25Å
61D97.1Very high95.2Very high5 Ų542.9 Ų42.93%0.02727%0.273CS..EExtended strand (participates in β ladder)trans-142.2149.6167.467.7-92000110R84 K189 S195D61-R84 PolarHBondContact N-O 3.03Å; D61-R84 VanDerWaalsContact N-O 3.11Å; D61-R84 WeakPolarHBondContact O-CB 3.37Å; D61-R84 PolarHBondContact O-N 3.39Å; D61-R84 WeakPolarHBondContact OD1-CB 3.49Å; D61-R84 WeakPolarHBondContact OD2-CD 3.31Å; D61-R84 WeakPolarHBondContact OD2-CG 3.23Å; D61-R84 IonicContact OD2-CZ 3.35Å; D61-R84 IonicContact OD2-NE 3.79Å; D61-R84 IonicContact OD2-NH1 2.92Å; D61-R84 PolarHBondContact OD2-NH1 2.79Å; D61-K189 HydrophobicContact CB-CB 4.32Å; D61-K189 WeakPolarHBondContact OD1-CD 3.18Å; D61-K189 IonicContact OD1-NZ 3.38Å; D61-S195 CarbonylContact C-O 3.51Å; D61-S195 VanDerWaalsContact CA-O 3.32Å; D61-S195 WeakPolarHBondContact CA-O 3.24Å
62I97.6Very high95.1Very high2 Ų237.4 Ų37.41%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-126.1130.4-176.8-55.8-177.3000108V64 V81 F83 L172 F174 S195 V196 E197 V232I62-V64 HydrophobicContact CG2-CG2 4.32Å; I62-V81 HydrophobicContact CG2-CB 3.98Å; I62-V81 HydrophobicContact CG2-CG1 3.95Å; I62-F83 HydrophobicContact CD1-CD2 4.14Å; I62-F83 HydrophobicContact CD1-CE2 4.09Å; I62-F83 HydrophobicContact CG1-CD2 3.91Å; I62-F83 HydrophobicContact CG1-CE2 4.11Å; I62-L172 HydrophobicContact CD1-CD2 4.32Å; I62-F174 HydrophobicContact CD1-CE1 3.77Å; I62-F174 HydrophobicContact CD1-CZ 4.24Å; I62-S195 PolarHBondContact N-O 2.7Å; I62-V196 HydrophobicContact CB-CG2 4.35Å; I62-V196 WeakPolarHBondContact O-CA 3.32Å; I62-E197 PolarHBondContact O-N 2.83Å; I62-V232 HydrophobicContact CD1-CG2 4.21Å
63Y96.7Very high95.2Very high70 Ų7038.1 Ų38.128%0.27524%0.237SC..EExtended strand (participates in β ladder)trans-115.4114.8169-176.9-83.4000108.4T65 V81 F82 E197 P199Y63-T65 HydrophobicContact CD1-CG2 3.91Å; Y63-T65 HydrophobicContact CE1-CG2 4.08Å; Y63-T65 PolarHBondContact O-N 3.38Å; Y63-V81 CarbonylContact O-C 3.55Å; Y63-V81 VanDerWaalsContact O-CA 3.31Å; Y63-V81 WeakPolarHBondContact O-CA 3.38Å; Y63-F82 AromaticContact CD1-CD2 3.8Å; Y63-F82 HydrophobicContact CD1-CD2 3.8Å; Y63-F82 HydrophobicContact CD1-CE2 4.47Å; Y63-F82 HydrophobicContact CE1-CD2 4.49Å; Y63-F82 PolarHBondContact N-O 3.24Å; Y63-F82 PolarHBondContact O-N 3.09Å; Y63-E197 HydrophobicContact CD2-CB 3.89Å; Y63-E197 WeakPolarHBondContact CD2-OE2 3.08Å; Y63-E197 HydrophobicContact CE2-CB 4.43Å; Y63-P199 HydrophobicContact CE1-CG 4.07Å; Y63-P199 HydrophobicContact CE2-CG 3.94Å; Y63-P199 VanDerWaalsContact CZ-CG 3.45Å; Y63-P199 WeakPolarHBondContact OH-CG 3.39Å
64V96.8Very high95.2Very high0 Ų041.1 Ų41.10%024%0.238CC..EExtended strand (participates in β ladder)trans-81.4114.7179.1-178.60000108.2I62 V81 E197 V198 P199 S202 F234I62-V64 HydrophobicContact CG2-CG2 4.32Å; V64-V81 HydrophobicContact CG2-CG1 4.13Å; V64-E197 PolarHBondContact N-O 2.86Å; V64-V198 HydrophobicContact CB-CB 4.39Å; V64-V198 HydrophobicContact CB-CG1 4.14Å; V64-V198 HydrophobicContact CB-CG2 3.95Å; V64-V198 HydrophobicContact CG1-CG1 4.25Å; V64-V198 HydrophobicContact CG2-CG2 3.77Å; V64-P199 WeakPolarHBondContact O-CD 3.25Å; V64-S202 PolarHBondContact O-OG 2.86Å; V64-F234 HydrophobicContact CG2-CE1 4.15Å; V64-F234 HydrophobicContact CG2-CZ 4.19Å
65T94.8Very high95.1Very high32 Ų3240 Ų4020%0.19622%0.219CC..EExtended strand (participates in β ladder)trans-83.2-34.7179.353.40000111.9Y63 D80 F82 S202Y63-T65 HydrophobicContact CD1-CG2 3.91Å; Y63-T65 HydrophobicContact CE1-CG2 4.08Å; Y63-T65 PolarHBondContact O-N 3.38Å; T65-D80 PolarHBondContact N-O 3.25Å; T65-D80 VanDerWaalsContact OG1-C 3.28Å; T65-D80 WeakPolarHBondContact OG1-CB 3.41Å; T65-D80 PolarHBondContact OG1-O 3.24Å; T65-F82 HydrophobicContact CG2-CD2 3.39Å; T65-F82 HydrophobicContact CG2-CE2 3.25Å; T65-F82 HydrophobicContact CG2-CG 4.2Å; T65-F82 HydrophobicContact CG2-CZ 3.98Å; T65-S202 WeakPolarHBondContact O-CB 3.4Å; T65-S202 PolarHBondContact O-OG 3.36Å
66S94.3Very high95Very high39 Ų3938.1 Ų38.127%0.27321%0.207SC..EExtended strand (participates in β ladder)trans-155.9139.8173.359.70000109.7D80 S202S66-D80 PolarHBondContact N-O 3.35Å; S66-D80 PolarHBondContact O-N 3.14Å; S66-D80 WeakPolarHBondContact OG-CB 3.49Å; S66-D80 PolarHBondContact OG-OD2 3.42Å; S66-S202 WeakPolarHBondContact CA-O 3.5Å
67F94.1Very high94.9Very high7 Ų737.7 Ų37.73%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-92.7114.7167.3-151.1-75.5000108.1V70 Y77 S202 L205 L210 F234 L236F67-V70 HydrophobicContact CE1-CG2 4Å; F67-Y77 AromaticContact CE1-CD2 3.73Å; F67-Y77 HydrophobicContact CE1-CD2 3.73Å; F67-Y77 HydrophobicContact CE1-CG 4.44Å; F67-Y77 HydrophobicContact CE2-CD2 4.18Å; F67-Y77 HydrophobicContact CE2-CE2 4.18Å; F67-Y77 AromaticContact CZ-CD2 3.36Å; F67-Y77 HydrophobicContact CZ-CD2 3.36Å; F67-Y77 AromaticContact CZ-CE2 3.71Å; F67-Y77 HydrophobicContact CZ-CE2 3.71Å; F67-Y77 HydrophobicContact CZ-CG 4.31Å; F67-S202 PolarHBondContact N-O 2.89Å; F67-L205 HydrophobicContact CB-CD1 4.5Å; F67-L205 HydrophobicContact CD1-CD1 3.7Å; F67-L205 HydrophobicContact CD1-CD2 3.82Å; F67-L205 HydrophobicContact CD1-CG 4.19Å; F67-L205 HydrophobicContact CE1-CD1 4.18Å; F67-L205 HydrophobicContact CG-CD1 4.24Å; F67-L210 HydrophobicContact CD2-CD2 4.4Å; F67-F234 HydrophobicContact CD2-CD1 4.49Å; F67-F234 HydrophobicContact CE2-CB 3.92Å; F67-F234 AromaticContact CE2-CD1 3.84Å; F67-F234 HydrophobicContact CE2-CD1 3.84Å; F67-F234 HydrophobicContact CE2-CD2 4.09Å; F67-F234 HydrophobicContact CE2-CE1 4.36Å; F67-F234 AromaticContact CE2-CG 3.68Å; F67-F234 HydrophobicContact CE2-CG 3.68Å; F67-F234 HydrophobicContact CZ-CB 4.18Å; F67-F234 HydrophobicContact CZ-CG 4.33Å; F67-L236 HydrophobicContact CE1-CD1 4.23Å; F67-L236 HydrophobicContact CE1-CD2 4.14Å; F67-L236 HydrophobicContact CZ-CD1 4.19Å; F67-L236 HydrophobicContact CZ-CD2 4.06Å
68G90.9Very high94.8Very high15 Ų1535.7 Ų35.716%0.15520%0.197CC..EExtended strand (participates in β ladder)trans-79.5-176.5-177.200000112.9T78 L205G68-T78 CarbonylContact C-O 3.59Å; G68-T78 WeakPolarHBondContact CA-O 3.3Å; G68-T78 PolarHBondContact N-O 3.04Å; G68-L205 WeakPolarHBondContact O-CD2 3.34Å
69P92.1Very high94.7Very high101 Ų10135.7 Ų35.766%0.65620%0.197SC*.EExtended strand (participates in β ladder)trans-63149.3-178.727.6-34.8000112T78P69-T78 PolarHBondContact O-N 2.73Å
70V94.4Very high94.6Very high16 Ų1633 Ų3310%0.09719%0.187CC..EExtended strand (participates in β ladder)trans-104.7126.8173.4-179.40000107.5F67 M158 Y208 L236F67-V70 HydrophobicContact CE1-CG2 4Å; V70-M158 HydrophobicContact CG1-CE 3.37Å; V70-Y208 HydrophobicContact CB-CD2 3.92Å; V70-Y208 HydrophobicContact CB-CE2 3.83Å; V70-Y208 HydrophobicContact CG1-CD2 4.19Å; V70-Y208 HydrophobicContact CG1-CE2 3.69Å; V70-Y208 HydrophobicContact CG2-CD2 4.18Å; V70-L236 HydrophobicContact CG2-CD1 3.89Å
71S93.7Very high94.5Very high35 Ų3533 Ų3325%0.24519%0.187CC..EExtended strand (participates in β ladder)trans-104.8106.6179.2-177.80000109.6V73 E74 M75 E76S71-V73 VanDerWaalsContact C-N 3.26Å; S71-V73 PolarHBondContact O-N 2.85Å; S71-E74 PolarHBondContact OG-N 3.03Å; S71-M75 WeakPolarHBondContact O-CA 3.47Å; S71-M75 PolarHBondContact O-N 3.21Å; S71-E76 PolarHBondContact N-O 3.17Å; S71-E76 PolarHBondContact O-N 3.46Å; S71-E76 VanDerWaalsContact O-N 3.14Å
72D91.9Very high94.5Very high15 Ų1536.2 Ų36.28%0.0820%0.201CC..THydrogen-bonded Turntrans-67.7-30.3175.8-59.4-20.2000111.6Y208 R238 P295D72-Y208 PolarHBondContact OD1-OH 3.1Å; D72-R238 IonicContact OD1-NH1 3.74Å; D72-R238 IonicContact OD1-NH2 3.8Å; D72-R238 IonicContact OD2-CZ 2.95Å; D72-R238 IonicContact OD2-NH1 3.79Å; D72-R238 PolarHBondContact OD2-NH1 3.28Å; D72-R238 IonicContact OD2-NH2 2.85Å; D72-R238 PolarHBondContact OD2-NH2 3.4Å; D72-P295 VanDerWaalsContact O-CG 3.26Å; D72-P295 WeakPolarHBondContact O-CG 3.37Å
73V91.1Very high94.5Very high95 Ų9536.2 Ų36.258%0.57620%0.201SC*.THydrogen-bonded Turntrans-72.1-43.8-177.1179.80000111.4S71S71-V73 VanDerWaalsContact C-N 3.26Å; S71-V73 PolarHBondContact O-N 2.85Å
74E92.5Very high94.6Very high114 Ų11436 Ų3653%0.53320%0.2SC..THydrogen-bonded Turntrans-93.5-2.6-179.3-65.7177.4150.100112.8S71 E76 K122S71-E74 PolarHBondContact OG-N 3.03Å; E74-E76 VanDerWaalsContact C-N 3.32Å; E74-E76 HydrophobicContact CB-CG 3.76Å; E74-E76 PolarHBondContact O-N 3.17Å; E74-K122 PolarHBondContact O-NZ 2.98Å
75M93.2Very high94.7Very high53 Ų5336.1 Ų36.126%0.26120%0.2SC..THydrogen-bonded Turntrans51.949.3-177-65.8-174.8172.100112S71 C156 P295S71-M75 WeakPolarHBondContact O-CA 3.47Å; S71-M75 PolarHBondContact O-N 3.21Å; M75-C156 CarbonylContact C-O 3.53Å; M75-C156 CarbonylContact O-C 3.55Å; M75-C156 PolarHBondContact O-N 3.19Å; M75-P295 HydrophobicContact CE-CG 4.41Å
76E95.4Very high94.8Very high25 Ų2535.4 Ų35.412%0.11720%0.196CC..EExtended strand (participates in β ladder)trans-143.5162.3-176.566.6-174.8-136.700112.2S71 E74 K122 N153 A154S71-E76 PolarHBondContact N-O 3.17Å; S71-E76 PolarHBondContact O-N 3.46Å; S71-E76 VanDerWaalsContact O-N 3.14Å; E74-E76 VanDerWaalsContact C-N 3.32Å; E74-E76 HydrophobicContact CB-CG 3.76Å; E74-E76 PolarHBondContact O-N 3.17Å; E76-K122 WeakPolarHBondContact OE2-CD 3.32Å; E76-K122 IonicContact OE2-NZ 3.7Å; E76-K122 PolarHBondContact OE2-NZ 3.41Å; E76-N153 VanDerWaalsContact CD-ND2 3.33Å; E76-N153 PolarHBondContact OE1-ND2 2.99Å; E76-N153 PolarHBondContact OE1-OD1 2.75Å; E76-A154 VanDerWaalsContact CA-O 3.28Å; E76-A154 WeakPolarHBondContact CA-O 3.11Å; E76-A154 WeakPolarHBondContact CB-O 3.43Å
77Y95.6Very high95Very high1 Ų133.7 Ų33.70%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-141.5147.6176.870.1-72.6000110.2F67 M79 N153 A154 C156 C170 P171 F234F67-Y77 AromaticContact CE1-CD2 3.73Å; F67-Y77 HydrophobicContact CE1-CD2 3.73Å; F67-Y77 HydrophobicContact CE1-CG 4.44Å; F67-Y77 HydrophobicContact CE2-CD2 4.18Å; F67-Y77 HydrophobicContact CE2-CE2 4.18Å; F67-Y77 AromaticContact CZ-CD2 3.36Å; F67-Y77 HydrophobicContact CZ-CD2 3.36Å; F67-Y77 AromaticContact CZ-CE2 3.71Å; F67-Y77 HydrophobicContact CZ-CE2 3.71Å; F67-Y77 HydrophobicContact CZ-CG 4.31Å; Y77-M79 HydrophobicContact CD2-CE 4.17Å; Y77-M79 HydrophobicContact CE2-CE 3.23Å; Y77-M79 HydrophobicContact CE2-SD 4.2Å; Y77-M79 WeakPolarHBondContact OH-CE 3.34Å; Y77-N153 WeakPolarHBondContact O-CA 3.45Å; Y77-N153 PolarHBondContact O-OD1 3.09Å; Y77-A154 HydrophobicContact CD1-CB 4.33Å; Y77-A154 VanDerWaalsContact CD1-O 3.28Å; Y77-A154 WeakPolarHBondContact CD1-O 3.33Å; Y77-A154 HydrophobicContact CE1-CB 3.7Å; Y77-A154 PolarHBondContact N-O 2.66Å; Y77-A154 PolarHBondContact O-N 2.85Å; Y77-C156 HydrophobicContact CD1-CB 3.65Å; Y77-C156 HydrophobicContact CE1-CB 3.94Å; Y77-C170 HydrophobicContact CD1-CB 4.06Å; Y77-C170 HydrophobicContact CE1-CB 3.76Å; Y77-P171 VanDerWaalsContact OH-C 3.26Å; Y77-P171 PolarHBondContact OH-O 3.43Å; Y77-F234 HydrophobicContact CE2-CD2 4.09Å; Y77-F234 HydrophobicContact CE2-CE2 4.47Å
78T95.4Very high95.1Very high38 Ų3836.7 Ų36.723%0.23320%0.202CC..EExtended strand (participates in β ladder)trans-105.3145.2177.2-58.90000110.3G68 P69 T151 I152G68-T78 CarbonylContact C-O 3.59Å; G68-T78 WeakPolarHBondContact CA-O 3.3Å; G68-T78 PolarHBondContact N-O 3.04Å; P69-T78 PolarHBondContact O-N 2.73Å; T78-T151 HydrophobicContact CG2-CG2 3.6Å; T78-I152 CarbonylContact C-O 3.59Å; T78-I152 VanDerWaalsContact CA-O 3.32Å; T78-I152 WeakPolarHBondContact CA-O 3.48Å
79M95.1Very high95.4Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-146.3150.5170.366.8-175.4118.900111.1Y77 V81 T151 I152 A154 L172 F234Y77-M79 HydrophobicContact CD2-CE 4.17Å; Y77-M79 HydrophobicContact CE2-CE 3.23Å; Y77-M79 HydrophobicContact CE2-SD 4.2Å; Y77-M79 WeakPolarHBondContact OH-CE 3.34Å; M79-V81 HydrophobicContact CG-CG1 3.91Å; M79-V81 HydrophobicContact SD-CG1 3.87Å; M79-T151 CarbonylContact O-C 3.56Å; M79-T151 WeakPolarHBondContact O-CA 3.42Å; M79-I152 HydrophobicContact CE-CG2 4.45Å; M79-I152 HydrophobicContact CG-CB 4.22Å; M79-I152 PolarHBondContact N-O 2.82Å; M79-I152 PolarHBondContact O-N 3.07Å; M79-A154 HydrophobicContact CE-CB 4.48Å; M79-L172 HydrophobicContact CE-CB 4.15Å; M79-L172 HydrophobicContact CE-CD1 3.59Å; M79-L172 HydrophobicContact CE-CD2 3.65Å; M79-L172 HydrophobicContact CE-CG 3.98Å; M79-L172 HydrophobicContact SD-CD2 3.96Å; M79-F234 HydrophobicContact CE-CE2 4.14Å; M79-F234 HydrophobicContact SD-CE2 3.93Å; M79-F234 HydrophobicContact SD-CZ 4.15Å
80D95.7Very high95.5Very high30 Ų3037.7 Ų37.716%0.1619%0.194CC..EExtended strand (participates in β ladder)trans-104.2131.2167.6-65.7-21.2000109.6T65 S66 L150 T151T65-D80 PolarHBondContact N-O 3.25Å; T65-D80 VanDerWaalsContact OG1-C 3.28Å; T65-D80 WeakPolarHBondContact OG1-CB 3.41Å; T65-D80 PolarHBondContact OG1-O 3.24Å; S66-D80 PolarHBondContact N-O 3.35Å; S66-D80 PolarHBondContact O-N 3.14Å; S66-D80 WeakPolarHBondContact OG-CB 3.49Å; S66-D80 PolarHBondContact OG-OD2 3.42Å; D80-L150 CarbonylContact C-O 3.6Å; D80-L150 WeakPolarHBondContact CA-O 3.33Å; D80-T151 WeakPolarHBondContact OD1-CA 3.32Å; D80-T151 VanDerWaalsContact OD1-CB 3.24Å; D80-T151 WeakPolarHBondContact OD1-CB 3.46Å; D80-T151 VanDerWaalsContact OD1-CG2 3.31Å; D80-T151 WeakPolarHBondContact OD1-CG2 3.26Å; D80-T151 PolarHBondContact OD1-OG1 2.92Å
81V96.8Very high95.5Very high1 Ų141.2 Ų41.21%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-135.9148.9-177.3-56.90000111.7I62 Y63 V64 M79 F83 R149 L150 I152I62-V81 HydrophobicContact CG2-CB 3.98Å; I62-V81 HydrophobicContact CG2-CG1 3.95Å; Y63-V81 CarbonylContact O-C 3.55Å; Y63-V81 VanDerWaalsContact O-CA 3.31Å; Y63-V81 WeakPolarHBondContact O-CA 3.38Å; V64-V81 HydrophobicContact CG2-CG1 4.13Å; M79-V81 HydrophobicContact CG-CG1 3.91Å; M79-V81 HydrophobicContact SD-CG1 3.87Å; V81-F83 HydrophobicContact CG2-CB 4.4Å; V81-R149 WeakPolarHBondContact O-CA 3.45Å; V81-L150 HydrophobicContact CG2-CB 4.08Å; V81-L150 PolarHBondContact N-O 3.11Å; V81-L150 PolarHBondContact O-N 2.93Å; V81-I152 HydrophobicContact CG2-CD1 3.65Å; V81-I152 HydrophobicContact CG2-CG1 4.47Å
82F97.3Very high95.6Very high71 Ų7139.5 Ų39.531%0.31119%0.194SC..EExtended strand (participates in β ladder)trans-89.1110.5151.5-63.7-60.5000108.4Y63 T65 T147 M148 R149Y63-F82 AromaticContact CD1-CD2 3.8Å; Y63-F82 HydrophobicContact CD1-CD2 3.8Å; Y63-F82 HydrophobicContact CD1-CE2 4.47Å; Y63-F82 HydrophobicContact CE1-CD2 4.49Å; Y63-F82 PolarHBondContact N-O 3.24Å; Y63-F82 PolarHBondContact O-N 3.09Å; T65-F82 HydrophobicContact CG2-CD2 3.39Å; T65-F82 HydrophobicContact CG2-CE2 3.25Å; T65-F82 HydrophobicContact CG2-CG 4.2Å; T65-F82 HydrophobicContact CG2-CZ 3.98Å; F82-T147 HydrophobicContact CB-CG2 4.17Å; F82-T147 HydrophobicContact CD1-CG2 4.5Å; F82-M148 WeakPolarHBondContact CA-O 3.43Å; F82-R149 HydrophobicContact CD1-CB 3.87Å; F82-R149 HydrophobicContact CD1-CG 4.1Å; F82-R149 HydrophobicContact CE1-CB 3.78Å; F82-R149 HydrophobicContact CE1-CG 3.82Å
83F97.9Very high95.7Very high2 Ų243.6 Ų43.61%0.00921%0.211CC..EExtended strand (participates in β ladder)trans-92117.7175.5-170.6-106.7000108.9T60 I62 V81 Q85 T116 F118 T147 M148 L150 F174T60-F83 HydrophobicContact CG2-CZ 4.32Å; I62-F83 HydrophobicContact CD1-CD2 4.14Å; I62-F83 HydrophobicContact CD1-CE2 4.09Å; I62-F83 HydrophobicContact CG1-CD2 3.91Å; I62-F83 HydrophobicContact CG1-CE2 4.11Å; V81-F83 HydrophobicContact CG2-CB 4.4Å; F83-Q85 HydrophobicContact CD1-CG 3.93Å; F83-Q85 VanDerWaalsContact CE1-CD 3.47Å; F83-Q85 HydrophobicContact CE1-CG 3.54Å; F83-Q85 HydrophobicContact CZ-CG 4.35Å; F83-T116 HydrophobicContact CE1-CG2 3.87Å; F83-T116 HydrophobicContact CZ-CG2 3.78Å; F83-F118 HydrophobicContact CD2-CZ 4.07Å; F83-F118 HydrophobicContact CE2-CE1 4.43Å; F83-F118 HydrophobicContact CE2-CZ 4.22Å; F83-F118 HydrophobicContact CG-CZ 4.41Å; F83-T147 WeakPolarHBondContact O-CA 3.34Å; F83-M148 HydrophobicContact CB-CG 3.97Å; F83-M148 HydrophobicContact CD1-CG 4.42Å; F83-M148 HydrophobicContact CD1-SD 4.48Å; F83-M148 PolarHBondContact N-O 3.38Å; F83-M148 PolarHBondContact O-N 2.8Å; F83-L150 HydrophobicContact CB-CD1 4.06Å; F83-F174 HydrophobicContact CE2-CD1 4.45Å; F83-F174 HydrophobicContact CE2-CD2 4.07Å; F83-F174 HydrophobicContact CE2-CE1 4.32Å; F83-F174 AromaticContact CE2-CE2 3.93Å; F83-F174 HydrophobicContact CE2-CE2 3.93Å; F83-F174 HydrophobicContact CE2-CG 4.32Å; F83-F174 HydrophobicContact CE2-CZ 4.05Å; F83-F174 AromaticContact CZ-CD2 3.81Å; F83-F174 HydrophobicContact CZ-CD2 3.81Å; F83-F174 AromaticContact CZ-CE2 3.82Å; F83-F174 HydrophobicContact CZ-CE2 3.82Å; F83-F174 HydrophobicContact CZ-CG 4.38Å; F83-F174 HydrophobicContact CZ-CZ 4.41Å
84R97.9Very high95.8Very high66 Ų6639.8 Ų39.825%0.24919%0.187CC..EExtended strand (participates in β ladder)trans-114.3137.8-175.8-46.7-156.3-173.8115.5-5.8111.1T60 D61 L145 Y146 T147T60-R84 WeakPolarHBondContact CA-O 3.44Å; D61-R84 PolarHBondContact N-O 3.03Å; D61-R84 VanDerWaalsContact N-O 3.11Å; D61-R84 WeakPolarHBondContact O-CB 3.37Å; D61-R84 PolarHBondContact O-N 3.39Å; D61-R84 WeakPolarHBondContact OD1-CB 3.49Å; D61-R84 WeakPolarHBondContact OD2-CD 3.31Å; D61-R84 WeakPolarHBondContact OD2-CG 3.23Å; D61-R84 IonicContact OD2-CZ 3.35Å; D61-R84 IonicContact OD2-NE 3.79Å; D61-R84 IonicContact OD2-NH1 2.92Å; D61-R84 PolarHBondContact OD2-NH1 2.79Å; R84-L145 HydrophobicContact CB-CD1 4.45Å; R84-Y146 WeakPolarHBondContact CA-O 3.07Å; R84-T147 WeakPolarHBondContact CD-OG1 3.43Å; R84-T147 HydrophobicContact CG-CG2 3.89Å; R84-T147 WeakPolarHBondContact CG-OG1 3.5Å
85Q98.1Very high95.6Very high2 Ų245.2 Ų45.21%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-132.6139.3179.5-53.3-170.3-87.500109.4V58 K59 T60 F83 W87 T116 Y146V58-Q85 HydrophobicContact CG1-CB 4.14Å; K59-Q85 CarbonylContact O-C 3.56Å; K59-Q85 WeakPolarHBondContact O-CA 3.19Å; T60-Q85 HydrophobicContact CG2-CG 4.28Å; F83-Q85 HydrophobicContact CD1-CG 3.93Å; F83-Q85 VanDerWaalsContact CE1-CD 3.47Å; F83-Q85 HydrophobicContact CE1-CG 3.54Å; F83-Q85 HydrophobicContact CZ-CG 4.35Å; Q85-W87 HydrophobicContact CB-CE3 4.34Å; Q85-W87 HydrophobicContact CB-CZ3 4.16Å; Q85-T116 PolarHBondContact NE2-OG1 3.27Å; Q85-Y146 PolarHBondContact N-O 3.09Å; Q85-Y146 PolarHBondContact O-N 3.5Å
86T98.1Very high95.2Very high17 Ų1743.9 Ų43.910%0.10420%0.202CC..EExtended strand (participates in β ladder)trans-134.1122.2178.2-55.60000109.4K59 T143 I144 L145 K189K59-T86 PolarHBondContact N-O 2.92Å; K59-T86 PolarHBondContact O-N 3.2Å; T86-T143 HydrophobicContact CG2-CG2 3.52Å; T86-I144 WeakPolarHBondContact CA-O 3.32Å; T86-I144 WeakPolarHBondContact CG2-O 3.35Å; T86-L145 WeakPolarHBondContact OG1-CD1 3.24Å; T86-K189 PolarHBondContact OG1-NZ 2.71Å
87W97.8Very high94.6Very high3 Ų346.6 Ų46.61%0.01122%0.222CC..EExtended strand (participates in β ladder)trans-139.7167.4174.370.295.9000109.6V58 Q85 I111 W112 T113 P114 T143 I144 Y146V58-W87 HydrophobicContact CG2-CB 4.32Å; Q85-W87 HydrophobicContact CB-CE3 4.34Å; Q85-W87 HydrophobicContact CB-CZ3 4.16Å; W87-I111 HydrophobicContact CZ2-CD1 4.46Å; W87-W112 HydrophobicContact CD2-CZ3 4.49Å; W87-W112 HydrophobicContact CG-CZ3 4.41Å; W87-W112 WeakPolarHBondContact CZ2-O 3.46Å; W87-W112 AromaticContact NE1-CE3 3.88Å; W87-W112 AromaticContact NE1-CZ3 3.87Å; W87-T113 HydrophobicContact CH2-CG2 4.23Å; W87-T113 HydrophobicContact CZ2-CG2 4.47Å; W87-P114 HydrophobicContact CE3-CG 4.24Å; W87-P114 HydrophobicContact CZ3-CG 4.11Å; W87-T143 WeakPolarHBondContact O-CA 3.32Å; W87-I144 HydrophobicContact CD2-CB 4.24Å; W87-I144 HydrophobicContact CD2-CG2 4.32Å; W87-I144 HydrophobicContact CE3-CG2 4.31Å; W87-I144 HydrophobicContact CH2-CB 4.48Å; W87-I144 HydrophobicContact CH2-CG2 3.59Å; W87-I144 HydrophobicContact CZ2-CB 4.12Å; W87-I144 HydrophobicContact CZ2-CD1 3.91Å; W87-I144 HydrophobicContact CZ2-CG2 3.58Å; W87-I144 HydrophobicContact CZ3-CG2 3.98Å; W87-I144 PolarHBondContact N-O 3.16Å; W87-I144 PolarHBondContact O-N 3.31Å; W87-Y146 HydrophobicContact CH2-CD1 4.24Å; W87-Y146 HydrophobicContact CH2-CG 4.18Å; W87-Y146 VanDerWaalsContact CZ3-CB 3.48Å; W87-Y146 HydrophobicContact CZ3-CD1 4.23Å; W87-Y146 HydrophobicContact CZ3-CG 4.26Å
88T97.3Very high94.1Very high70 Ų7048.2 Ų48.243%0.42924%0.236SC..EExtended strand (participates in β ladder)trans-112.4127178.4-55.30000109.6T143T88-T143 PolarHBondContact OG1-OG1 3.14Å
89D96.7Very high93.7Very high2 Ų253.6 Ų53.61%0.01126%0.258CS..  trans-118.4111.7171.2-168.7-15.7000109.2Y43 P49 R91 L92 G142 I144Y43-D89 WeakPolarHBondContact CE2-OD2 3.2Å; Y43-D89 PolarHBondContact OH-OD2 3.45Å; P49-D89 HydrophobicContact CB-CB 4.07Å; P49-D89 HydrophobicContact CG-CB 3.8Å; D89-R91 PolarHBondContact O-N 3.3Å; D89-R91 WeakPolarHBondContact OD1-CB 3.39Å; D89-R91 IonicContact OD1-CZ 3.17Å; D89-R91 PolarHBondContact OD1-N 2.85Å; D89-R91 VanDerWaalsContact OD1-N 3.12Å; D89-R91 IonicContact OD1-NE 3.67Å; D89-R91 PolarHBondContact OD1-NE 3.11Å; D89-R91 IonicContact OD1-NH2 3.74Å; D89-R91 IonicContact OD2-CZ 2.61Å; D89-R91 IonicContact OD2-NE 2.82Å; D89-R91 PolarHBondContact OD2-NE 2.77Å; D89-R91 IonicContact OD2-NH2 3.47Å; D89-R91 PolarHBondContact OD2-NH2 3.16Å; D89-L92 HydrophobicContact CB-CD1 4.15Å; D89-L92 HydrophobicContact CB-CG 4.45Å; D89-L92 PolarHBondContact O-N 3.18Å; D89-L92 VanDerWaalsContact O-N 3.15Å; D89-G142 PolarHBondContact N-O 2.98Å; D89-G142 WeakPolarHBondContact O-CA 3.36Å; D89-I144 HydrophobicContact CB-CD1 4.03Å
90E94.3Very high93.6Very high135 Ų13557.2 Ų57.263%0.63128%0.277SS*.G310 helixtrans-66.1-25.1-176.5-55.1-155.6116.900113.3L92 K93E90-L92 PolarHBondContact O-N 3.27Å; E90-K93 HydrophobicContact CB-CD 4.41Å; E90-K93 WeakPolarHBondContact O-CB 3.5Å; E90-K93 WeakPolarHBondContact O-CG 3.46Å; E90-K93 PolarHBondContact O-N 3.38Å; E90-K93 IonicContact OE1-NZ 3.99Å; E90-K93 PolarHBondContact OE1-NZ 3.39Å
91R95.1Very high93.4Very high90 Ų9056.6 Ų56.634%0.3427%0.273SS..G310 helixtrans-67.4-21.6178.1-59.1172.1-68.8179.41.2112.1Y43 D44 L47 D89Y43-R91 HydrophobicContact CD2-CB 4.02Å; Y43-R91 HydrophobicContact CE2-CB 3.97Å; Y43-R91 PolarHBondContact OH-NH2 2.85Å; Y43-R91 VanDerWaalsContact OH-NH2 3.14Å; D44-R91 PolarHBondContact O-NH1 2.88Å; L47-R91 PolarHBondContact O-NH1 3.07Å; L47-R91 PolarHBondContact O-NH2 3.03Å; D89-R91 PolarHBondContact O-N 3.3Å; D89-R91 WeakPolarHBondContact OD1-CB 3.39Å; D89-R91 IonicContact OD1-CZ 3.17Å; D89-R91 PolarHBondContact OD1-N 2.85Å; D89-R91 VanDerWaalsContact OD1-N 3.12Å; D89-R91 IonicContact OD1-NE 3.67Å; D89-R91 PolarHBondContact OD1-NE 3.11Å; D89-R91 IonicContact OD1-NH2 3.74Å; D89-R91 IonicContact OD2-CZ 2.61Å; D89-R91 IonicContact OD2-NE 2.82Å; D89-R91 PolarHBondContact OD2-NE 2.77Å; D89-R91 IonicContact OD2-NH2 3.47Å; D89-R91 PolarHBondContact OD2-NH2 3.16Å
92L94.9Very high93.2Very high0 Ų060.6 Ų60.60%030%0.301CS..G310 helixtrans-101.215.7-177.6-64.2171000113L39 Y43 D89 E90 I111 L138 I144L39-L92 HydrophobicContact CB-CD2 4.41Å; L39-L92 HydrophobicContact CD2-CB 4.49Å; L39-L92 HydrophobicContact CD2-CD2 4.35Å; Y43-L92 HydrophobicContact CD2-CD2 3.96Å; Y43-L92 HydrophobicContact CD2-CG 4.26Å; Y43-L92 HydrophobicContact CE2-CD1 3.93Å; Y43-L92 HydrophobicContact CE2-CD2 3.91Å; Y43-L92 HydrophobicContact CE2-CG 3.75Å; D89-L92 HydrophobicContact CB-CD1 4.15Å; D89-L92 HydrophobicContact CB-CG 4.45Å; D89-L92 PolarHBondContact O-N 3.18Å; D89-L92 VanDerWaalsContact O-N 3.15Å; E90-L92 PolarHBondContact O-N 3.27Å; L92-I111 HydrophobicContact CD1-CB 4.44Å; L92-I111 HydrophobicContact CD1-CG2 4Å; L92-I111 HydrophobicContact CD2-CG2 4.44Å; L92-L138 HydrophobicContact CB-CD1 3.89Å; L92-L138 HydrophobicContact CB-CD2 4.36Å; L92-I144 HydrophobicContact CD1-CD1 3.69Å
93K94.4Very high92.8Very high100 Ų10058.8 Ų58.844%0.43530%0.295SS..  trans-68.1132.2170.3-73.9172.2-175.8168.70109.5E90 N141E90-K93 HydrophobicContact CB-CD 4.41Å; E90-K93 WeakPolarHBondContact O-CB 3.5Å; E90-K93 WeakPolarHBondContact O-CG 3.46Å; E90-K93 PolarHBondContact O-N 3.38Å; E90-K93 IonicContact OE1-NZ 3.99Å; E90-K93 PolarHBondContact OE1-NZ 3.39Å; K93-N141 WeakPolarHBondContact CE-O 3.41Å; K93-N141 WeakPolarHBondContact CG-O 3.41Å
94F92.4Very high92.4Very high16 Ų1663.7 Ų63.77%0.0732%0.321CS..  trans-132.1166.2177.767.8-83.3000111.4I35 L39 A98 L101 L138 Q140I35-F94 HydrophobicContact CG2-CB 3.84Å; I35-F94 HydrophobicContact CG2-CD2 4.01Å; I35-F94 HydrophobicContact CG2-CG 4.12Å; L39-F94 HydrophobicContact CD1-CB 3.99Å; L39-F94 HydrophobicContact CD1-CD1 4.35Å; L39-F94 HydrophobicContact CD1-CG 4.34Å; L39-F94 HydrophobicContact CD2-CB 4.05Å; L39-F94 HydrophobicContact CG-CB 4.26Å; F94-A98 WeakPolarHBondContact CE2-O 3.18Å; F94-L101 HydrophobicContact CD1-CD1 4.26Å; F94-L101 HydrophobicContact CD2-CD1 4.17Å; F94-L101 HydrophobicContact CE1-CD1 3.83Å; F94-L101 HydrophobicContact CE1-CG 4.14Å; F94-L101 HydrophobicContact CE2-CD1 3.74Å; F94-L101 HydrophobicContact CE2-CG 3.93Å; F94-L101 HydrophobicContact CG-CD1 4.44Å; F94-L101 HydrophobicContact CZ-CD1 3.58Å; F94-L101 HydrophobicContact CZ-CG 3.56Å; F94-L138 HydrophobicContact CD1-CD2 3.95Å; F94-L138 HydrophobicContact CD1-CG 4.23Å; F94-L138 HydrophobicContact CE1-CD2 4.01Å; F94-L138 HydrophobicContact CE1-CG 3.91Å; F94-Q140 HydrophobicContact CE1-CB 4.4Å; F94-Q140 HydrophobicContact CE2-CG 4.34Å; F94-Q140 HydrophobicContact CZ-CB 4.17Å; F94-Q140 HydrophobicContact CZ-CG 4.42Å; F94-Q140 PolarHBondContact N-O 3.45Å; F94-Q140 WeakPolarHBondContact O-CG 3.43Å
95R88.8Confident91.8Very high228 Ų22861.6 Ų61.686%0.8632%0.315SS*.  trans-122123.5167.3-68.5-176-178.6169.21108.1
96G84.6Confident91.3Very high25 Ų2567.1 Ų67.126%0.25834%0.344SS..SBendtrans-160.5174.8-177.800000111.2A98G96-A98 VanDerWaalsContact C-N 3.29Å; G96-A98 PolarHBondContact O-N 3.21Å
97P82.4Confident90.9Very high81 Ų8167.1 Ų67.153%0.52634%0.343SS..SBendtrans-71.5-23.6-179.928.4-34.1000112.9Y28Y28-P97 HydrophobicContact CD1-CG 4.07Å; Y28-P97 HydrophobicContact CE1-CB 4.1Å; Y28-P97 HydrophobicContact CE1-CG 4.13Å
98A85.1Confident90.4Very high36 Ų3667.4 Ų67.430%0.29835%0.345SS..  trans-99.8132178.300000111.4F94 G96 I100 L101F94-A98 WeakPolarHBondContact CE2-O 3.18Å; G96-A98 VanDerWaalsContact C-N 3.29Å; G96-A98 PolarHBondContact O-N 3.21Å; A98-I100 VanDerWaalsContact C-N 3.34Å; A98-L101 HydrophobicContact CB-CD2 4.16Å
99E88Confident90.1Very high150 Ų15068.3 Ų68.370%0.70135%0.354SS*.SBendtrans-71.5-30.3175.2-64.2-175.2168.600112.7M139 Q140E99-M139 WeakPolarHBondContact O-CA 3.45Å; E99-Q140 PolarHBondContact O-N 2.85Å
100I92.4Very high89.9Confident77 Ų7773.9 Ų73.940%0.39538%0.378SS..EExtended strand (participates in β ladder)trans-132.2121.4-177.1-53.4178.7000109.7A98 R137 L138 M139A98-I100 VanDerWaalsContact C-N 3.34Å; I100-R137 HydrophobicContact CG2-CB 4Å; I100-R137 HydrophobicContact CG2-CG 4.36Å; I100-L138 WeakPolarHBondContact CA-O 3.36Å; I100-M139 HydrophobicContact CD1-CE 4.17Å; I100-M139 HydrophobicContact CG1-CG 4.35Å
101L91.6Very high89.9Confident16 Ų1667.7 Ų67.78%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-94.7114171.4-62.1175.9000109.4V32 L36 F94 A98 L103 R137 L138V32-L101 HydrophobicContact CG1-CD2 4.33Å; L36-L101 HydrophobicContact CD2-CD1 4.36Å; F94-L101 HydrophobicContact CD1-CD1 4.26Å; F94-L101 HydrophobicContact CD2-CD1 4.17Å; F94-L101 HydrophobicContact CE1-CD1 3.83Å; F94-L101 HydrophobicContact CE1-CG 4.14Å; F94-L101 HydrophobicContact CE2-CD1 3.74Å; F94-L101 HydrophobicContact CE2-CG 3.93Å; F94-L101 HydrophobicContact CG-CD1 4.44Å; F94-L101 HydrophobicContact CZ-CD1 3.58Å; F94-L101 HydrophobicContact CZ-CG 3.56Å; A98-L101 HydrophobicContact CB-CD2 4.16Å; L101-L103 HydrophobicContact CB-CD2 4.09Å; L101-L103 HydrophobicContact CB-CG 4.15Å; L101-R137 WeakPolarHBondContact O-CA 3.48Å; L101-L138 HydrophobicContact CB-CB 4.49Å; L101-L138 PolarHBondContact N-O 2.81Å; L101-L138 PolarHBondContact O-N 2.92Å
102S91.9Very high90Very high85 Ų8563.8 Ų63.859%0.59434%0.335SS*.EExtended strand (participates in β ladder)trans-90.3103.3171.4-63.50000108.8
103L89.1Confident90Very high34 Ų3466.1 Ų66.118%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-104.9158.6-171.9-53.6173000111.5L36 L101 M107 F136L36-L103 HydrophobicContact CD1-CD2 3.91Å; L36-L103 HydrophobicContact CD2-CD1 3.64Å; L36-L103 HydrophobicContact CD2-CD2 3.91Å; L36-L103 HydrophobicContact CD2-CG 4.46Å; L101-L103 HydrophobicContact CB-CD2 4.09Å; L101-L103 HydrophobicContact CB-CG 4.15Å; L103-M107 HydrophobicContact CB-CB 4.15Å; L103-M107 HydrophobicContact CB-CG 4.46Å; L103-M107 HydrophobicContact CD1-CB 4.36Å; L103-M107 HydrophobicContact CD1-CE 4.41Å; L103-M107 HydrophobicContact CD1-CG 3.77Å; L103-M107 HydrophobicContact CD1-SD 4.46Å; L103-F136 HydrophobicContact CB-CD1 4.02Å; L103-F136 HydrophobicContact CD1-CD1 4.08Å; L103-F136 HydrophobicContact CD1-CE1 3.94Å; L103-F136 HydrophobicContact CG-CD1 4.38Å; L103-F136 PolarHBondContact N-O 2.92Å
104N89.2Confident90.2Very high104 Ų10461.8 Ų61.856%0.55633%0.331SS*.  trans-67.2156.7175.8-162.6-9.7000111.3L106 M107N104-L106 PolarHBondContact O-N 2.92Å; N104-L106 VanDerWaalsContact O-N 3.09Å; N104-M107 WeakPolarHBondContact O-CB 3.4Å; N104-M107 PolarHBondContact O-N 3.07Å
105N86Confident90.3Very high22 Ų2263.2 Ų63.212%0.11834%0.339CS..G310 helixtrans-57.4-23.3178.26413.6000113.9M107 V108 P132 K134N105-M107 PolarHBondContact O-N 2.76Å; N105-V108 VanDerWaalsContact O-CB 3.26Å; N105-V108 WeakPolarHBondContact O-CB 3.42Å; N105-V108 WeakPolarHBondContact O-CG2 3.46Å; N105-V108 PolarHBondContact O-N 2.88Å; N105-P132 VanDerWaalsContact ND2-CB 3.34Å; N105-P132 WeakPolarHBondContact ND2-CB 3.49Å; N105-P132 VanDerWaalsContact ND2-CD 3.27Å; N105-P132 WeakPolarHBondContact ND2-CD 3.5Å; N105-P132 WeakPolarHBondContact ND2-CG 3.36Å; N105-P132 PolarHBondContact ND2-O 3.33Å; N105-K134 HydrophobicContact CB-CB 4Å
106L87.3Confident90.8Very high118 Ų11853.9 Ų53.962%0.61831%0.308SS*.G310 helixtrans-62.7-25175.7-61.7179.3000112.7N104 V108 S109N104-L106 PolarHBondContact O-N 2.92Å; N104-L106 VanDerWaalsContact O-N 3.09Å; L106-V108 VanDerWaalsContact C-N 3.28Å; L106-V108 PolarHBondContact O-N 2.79Å; L106-S109 PolarHBondContact O-OG 3.3Å
107M88.9Confident91.3Very high18 Ų1855.7 Ų55.79%0.08931%0.309CS..G310 helixtrans-68-31.7174.4-173.863.8175.800111.7L36 L40 L103 N104 N105 S109 K110 I111 F136L36-M107 HydrophobicContact CD2-CE 4.48Å; L40-M107 HydrophobicContact CD1-CE 3.97Å; L40-M107 HydrophobicContact CD1-SD 3.95Å; L40-M107 HydrophobicContact CD2-CE 3.57Å; L40-M107 HydrophobicContact CD2-SD 4.29Å; L40-M107 HydrophobicContact CG-CE 3.85Å; L40-M107 HydrophobicContact CG-SD 4.47Å; L103-M107 HydrophobicContact CB-CB 4.15Å; L103-M107 HydrophobicContact CB-CG 4.46Å; L103-M107 HydrophobicContact CD1-CB 4.36Å; L103-M107 HydrophobicContact CD1-CE 4.41Å; L103-M107 HydrophobicContact CD1-CG 3.77Å; L103-M107 HydrophobicContact CD1-SD 4.46Å; N104-M107 WeakPolarHBondContact O-CB 3.4Å; N104-M107 PolarHBondContact O-N 3.07Å; N105-M107 PolarHBondContact O-N 2.76Å; M107-S109 PolarHBondContact O-N 3.1Å; M107-K110 PolarHBondContact O-N 3.03Å; M107-I111 HydrophobicContact CE-CG2 4.06Å; M107-F136 HydrophobicContact CG-CD1 4.41Å; M107-F136 HydrophobicContact CG-CE1 4.21Å
108V89Confident92Very high9 Ų953.1 Ų53.16%0.05529%0.289CS..G310 helixtrans-62.9-31.7-174.6-177.60000111.8N105 L106 K110 T113 F136 Y146N105-V108 VanDerWaalsContact O-CB 3.26Å; N105-V108 WeakPolarHBondContact O-CB 3.42Å; N105-V108 WeakPolarHBondContact O-CG2 3.46Å; N105-V108 PolarHBondContact O-N 2.88Å; L106-V108 VanDerWaalsContact C-N 3.28Å; L106-V108 PolarHBondContact O-N 2.79Å; V108-K110 VanDerWaalsContact C-N 3.28Å; V108-K110 PolarHBondContact O-N 3Å; V108-T113 HydrophobicContact CG1-CG2 3.78Å; V108-F136 HydrophobicContact CG2-CB 3.74Å; V108-F136 HydrophobicContact CG2-CD2 3.95Å; V108-F136 HydrophobicContact CG2-CG 4.03Å; V108-Y146 HydrophobicContact CG1-CD2 4.34Å; V108-Y146 HydrophobicContact CG1-CE2 3.7Å; V108-Y146 HydrophobicContact CG2-CD2 4.4Å; V108-Y146 HydrophobicContact CG2-CE2 4.12Å
109S89.3Confident92.5Very high89 Ų8955.8 Ų55.862%0.62229%0.292SS*.G310 helixtrans-75.1-16.5177.957.90000113.8N45 L106 M107N45-S109 PolarHBondContact ND2-O 2.61Å; L106-S109 PolarHBondContact O-OG 3.3Å; M107-S109 PolarHBondContact O-N 3.1Å
110K92.8Very high92.9Very high118 Ų11849.9 Ų49.951%0.51327%0.265SS..G310 helixtrans-90.8-13.4-179.4-62.3-170.4-179.9-177.20113.5L40 N45 M107 V108L40-K110 HydrophobicContact CD1-CD 3.69Å; L40-K110 HydrophobicContact CD2-CB 4.11Å; N45-K110 WeakPolarHBondContact CB-O 3.36Å; M107-K110 PolarHBondContact O-N 3.03Å; V108-K110 VanDerWaalsContact C-N 3.28Å; V108-K110 PolarHBondContact O-N 3Å
111I94.8Very high93Very high6 Ų647.5 Ų47.53%0.03126%0.259CS..SBendtrans-112.8165.6-17861.7157000111.3L40 Y43 W87 L92 M107 T113 F136 I144L40-I111 HydrophobicContact CD2-CG2 4.3Å; Y43-I111 HydrophobicContact CE1-CB 4.1Å; Y43-I111 HydrophobicContact CE1-CG2 4.32Å; W87-I111 HydrophobicContact CZ2-CD1 4.46Å; L92-I111 HydrophobicContact CD1-CB 4.44Å; L92-I111 HydrophobicContact CD1-CG2 4Å; L92-I111 HydrophobicContact CD2-CG2 4.44Å; M107-I111 HydrophobicContact CE-CG2 4.06Å; I111-T113 HydrophobicContact CG1-CG2 4.49Å; I111-F136 HydrophobicContact CD1-CD2 4.09Å; I111-F136 HydrophobicContact CD1-CE2 3.13Å; I111-F136 HydrophobicContact CD1-CZ 3.43Å; I111-F136 VanDerWaalsContact CD1-CZ 3.43Å; I111-F136 HydrophobicContact CG1-CE2 4.44Å; I111-I144 HydrophobicContact CD1-CD1 4.45Å
112W96.6Very high93Very high8 Ų851.9 Ų51.93%0.0328%0.278CS..  trans-72.5139170.5178.490.4000110.5Y43 R48 P49 T56 W87 P114 Y179 I184Y43-W112 PolarHBondContact OH-N 3.33Å; Y43-W112 VanDerWaalsContact OH-N 3.16Å; R48-W112 HydrophobicContact CB-CD2 4.19Å; R48-W112 HydrophobicContact CB-CH2 4.33Å; R48-W112 HydrophobicContact CB-CZ2 3.67Å; P49-W112 HydrophobicContact CG-CE3 3.88Å; P49-W112 HydrophobicContact CG-CZ3 4.1Å; T56-W112 HydrophobicContact CG2-CH2 4.33Å; T56-W112 HydrophobicContact CG2-CZ3 4.36Å; W87-W112 HydrophobicContact CD2-CZ3 4.49Å; W87-W112 HydrophobicContact CG-CZ3 4.41Å; W87-W112 WeakPolarHBondContact CZ2-O 3.46Å; W87-W112 AromaticContact NE1-CE3 3.88Å; W87-W112 AromaticContact NE1-CZ3 3.87Å; W112-P114 HydrophobicContact CH2-CB 3.89Å; W112-P114 HydrophobicContact CZ2-CB 4.45Å; W112-P114 HydrophobicContact CZ3-CB 4.39Å; W112-Y179 HydrophobicContact CZ2-CE2 4.13Å; W112-Y179 AromaticContact NE1-CZ 3.94Å; W112-Y179 PolarHBondContact NE1-OH 2.72Å; W112-I184 HydrophobicContact CH2-CD1 3.79Å; W112-I184 HydrophobicContact CZ2-CD1 3.62Å
113T96.2Very high93Very high49 Ų4954.7 Ų54.730%0.30128%0.279SS..  trans-132143173.256.20000110.1W87 V108 I111W87-T113 HydrophobicContact CH2-CG2 4.23Å; W87-T113 HydrophobicContact CZ2-CG2 4.47Å; V108-T113 HydrophobicContact CG1-CG2 3.78Å; I111-T113 HydrophobicContact CG1-CG2 4.49Å
114P97.2Very high93.3Very high9 Ų955.9 Ų55.96%0.05829%0.29CS..  trans-61.2143.7177.626.7-34.7000111.6V58 W87 W112 T116V58-P114 HydrophobicContact CG1-CG 4.22Å; V58-P114 HydrophobicContact CG2-CB 4.17Å; V58-P114 HydrophobicContact CG2-CG 4.44Å; W87-P114 HydrophobicContact CE3-CG 4.24Å; W87-P114 HydrophobicContact CZ3-CG 4.11Å; W112-P114 HydrophobicContact CH2-CB 3.89Å; W112-P114 HydrophobicContact CZ2-CB 4.45Å; W112-P114 HydrophobicContact CZ3-CB 4.39Å; P114-T116 PolarHBondContact O-N 2.85Å; P114-T116 VanDerWaalsContact O-N 3.09Å
115D96.3Very high93.5Very high45 Ų4555 Ų5524%0.24128%0.284CS..  trans-86.747.7-17766.8-20.7000112.3F117 S176 Y177 A178 Y179D115-F117 PolarHBondContact O-N 2.97Å; D115-S176 VanDerWaalsContact CG-OG 3.29Å; D115-S176 WeakPolarHBondContact OD1-CB 3.31Å; D115-S176 PolarHBondContact OD1-OG 3.3Å; D115-S176 PolarHBondContact OD2-OG 2.88Å; D115-Y177 PolarHBondContact O-N 2.96Å; D115-Y177 PolarHBondContact OD2-N 3.28Å; D115-A178 WeakPolarHBondContact OD2-CB 3.4Å; D115-A178 PolarHBondContact OD2-N 3.35Å; D115-Y179 WeakPolarHBondContact OD1-CD2 3.49Å
116T97.4Very high94Very high32 Ų3256.7 Ų56.720%0.19630%0.302CS..EExtended strand (participates in β ladder)trans-69129.2-175.5-480000111.5F83 Q85 P114 F174 G175 Y186F83-T116 HydrophobicContact CE1-CG2 3.87Å; F83-T116 HydrophobicContact CZ-CG2 3.78Å; Q85-T116 PolarHBondContact NE2-OG1 3.27Å; P114-T116 PolarHBondContact O-N 2.85Å; P114-T116 VanDerWaalsContact O-N 3.09Å; T116-F174 HydrophobicContact CG2-CB 4.29Å; T116-F174 HydrophobicContact CG2-CD2 3.9Å; T116-G175 WeakPolarHBondContact CA-O 3.37Å; T116-Y186 HydrophobicContact CG2-CE1 3.98Å; T116-Y186 WeakPolarHBondContact OG1-CE1 3.43Å; T116-Y186 PolarHBondContact OG1-OH 3.3Å
117F96.4Very high94.2Very high64 Ų6453.5 Ų53.528%0.28128%0.284SS..EExtended strand (participates in β ladder)trans-133154.4176.182.9-69.7000111.6D115 R119 F174 G175 S176 Y177D115-F117 PolarHBondContact O-N 2.97Å; F117-R119 HydrophobicContact CD2-CG 4.41Å; F117-R119 HydrophobicContact CE1-CG 4.12Å; F117-R119 HydrophobicContact CE2-CB 4.33Å; F117-R119 HydrophobicContact CE2-CG 3.58Å; F117-R119 HydrophobicContact CZ-CG 3.41Å; F117-R119 VanDerWaalsContact CZ-CG 3.41Å; F117-F174 VanDerWaalsContact O-CA 3.22Å; F117-F174 WeakPolarHBondContact O-CA 3.39Å; F117-F174 WeakPolarHBondContact O-CB 3.48Å; F117-G175 VanDerWaalsContact CD1-O 3.32Å; F117-G175 WeakPolarHBondContact CD1-O 3.38Å; F117-G175 PolarHBondContact N-O 2.95Å; F117-G175 PolarHBondContact O-N 3.17Å; F117-S176 WeakPolarHBondContact CE1-O 3.43Å; F117-Y177 AromaticContact CD1-CD2 3.95Å; F117-Y177 HydrophobicContact CD1-CD2 3.95Å; F117-Y177 HydrophobicContact CD1-CG 4.29Å; F117-Y177 HydrophobicContact CD2-CD2 4.24Å; F117-Y177 VanDerWaalsContact CE1-CA 3.47Å; F117-Y177 AromaticContact CE1-CD2 3.86Å; F117-Y177 HydrophobicContact CE1-CD2 3.86Å; F117-Y177 HydrophobicContact CE1-CG 4.37Å; F117-Y177 HydrophobicContact CE2-CD2 4.13Å; F117-Y177 HydrophobicContact CG-CD2 4.14Å; F117-Y177 AromaticContact CZ-CD2 3.92Å; F117-Y177 HydrophobicContact CZ-CD2 3.92Å
118F97.4Very high94.4Very high26 Ų2658.2 Ų58.211%0.11431%0.309CS..EExtended strand (participates in β ladder)trans-89.7116.5175.1-61.6-81.1000109.5F83 G121 L150 I152 L172 K173 F174F83-F118 HydrophobicContact CD2-CZ 4.07Å; F83-F118 HydrophobicContact CE2-CE1 4.43Å; F83-F118 HydrophobicContact CE2-CZ 4.22Å; F83-F118 HydrophobicContact CG-CZ 4.41Å; F118-G121 PolarHBondContact O-N 2.71Å; F118-L150 HydrophobicContact CE2-CD1 3.58Å; F118-L150 HydrophobicContact CZ-CD1 3.96Å; F118-I152 HydrophobicContact CD1-CD1 4.1Å; F118-I152 HydrophobicContact CD2-CD1 4.12Å; F118-I152 HydrophobicContact CD2-CG1 4.38Å; F118-I152 HydrophobicContact CE1-CD1 3.58Å; F118-I152 HydrophobicContact CE2-CD1 3.62Å; F118-I152 HydrophobicContact CE2-CG1 4.16Å; F118-I152 HydrophobicContact CG-CD1 4.36Å; F118-I152 HydrophobicContact CG-CG2 4.42Å; F118-I152 HydrophobicContact CZ-CD1 3.33Å; F118-I152 HydrophobicContact CZ-CG1 4.34Å; F118-L172 HydrophobicContact CD1-CD1 3.56Å; F118-L172 HydrophobicContact CD1-CD2 4.47Å; F118-L172 HydrophobicContact CD1-CG 4.07Å; F118-L172 HydrophobicContact CE1-CD1 4.07Å; F118-L172 HydrophobicContact CE1-CD2 4.16Å; F118-L172 HydrophobicContact CE1-CG 4.23Å; F118-L172 HydrophobicContact CG-CD1 4.42Å; F118-K173 CarbonylContact C-O 3.38Å; F118-K173 WeakPolarHBondContact CA-O 3.34Å; F118-F174 HydrophobicContact CD1-CB 3.75Å; F118-F174 HydrophobicContact CE1-CB 3.92Å; F118-F174 HydrophobicContact CE1-CD1 4.26Å; F118-F174 HydrophobicContact CE1-CG 4.29Å; F118-F174 HydrophobicContact CG-CB 4.49Å
119R95.1Very high94.3Very high93 Ų9364.7 Ų64.735%0.35134%0.341SS..THydrogen-bonded Turntrans-69.7-38.1-173.9-78.2179.3165.1-110.4-0.2113.3F117 K173 I229F117-R119 HydrophobicContact CD2-CG 4.41Å; F117-R119 HydrophobicContact CE1-CG 4.12Å; F117-R119 HydrophobicContact CE2-CB 4.33Å; F117-R119 HydrophobicContact CE2-CG 3.58Å; F117-R119 HydrophobicContact CZ-CG 3.41Å; F117-R119 VanDerWaalsContact CZ-CG 3.41Å; R119-K173 HydrophobicContact CB-CB 4.12Å; R119-K173 PolarHBondContact N-O 2.89Å; R119-I229 VanDerWaalsContact CZ-CD1 3.45Å
120N96Very high94.2Very high26 Ų2666.6 Ų66.614%0.13935%0.349CS..THydrogen-bonded Turntrans-99.915.3175.368.4-46.8000112.3A154 D155 P171 K173N120-A154 CarbonylContact O-C 3.46Å; N120-A154 WeakPolarHBondContact O-CA 3.45Å; N120-D155 HydrophobicContact CB-CB 4.38Å; N120-D155 PolarHBondContact ND2-O 3.24Å; N120-D155 PolarHBondContact O-N 3.19Å; N120-P171 PolarHBondContact ND2-O 2.8Å; N120-K173 PolarHBondContact OD1-N 2.88Å
121G94.4Very high93.9Very high27 Ų2764.8 Ų64.828%0.27835%0.348SS..EExtended strand (participates in β ladder)trans-76.6124173.100000110.6F118 N153F118-G121 PolarHBondContact O-N 2.71Å; G121-N153 WeakPolarHBondContact CA-O 3.38Å
122K92Very high93.6Very high108 Ų10867.4 Ų67.447%0.4737%0.365SS..EExtended strand (participates in β ladder)trans-84.1-47.5173.1-70.5178.7-176.3170.70111E74 E76 N153 D155E74-K122 PolarHBondContact O-NZ 2.98Å; E76-K122 WeakPolarHBondContact OE2-CD 3.32Å; E76-K122 IonicContact OE2-NZ 3.7Å; E76-K122 PolarHBondContact OE2-NZ 3.41Å; K122-N153 PolarHBondContact N-O 3.43Å; K122-D155 WeakPolarHBondContact CE-OD1 3.35Å; K122-D155 IonicContact NZ-OD1 3.09Å; K122-D155 PolarHBondContact NZ-OD1 3.02Å
123K92.4Very high93.3Very high144 Ų14469.4 Ų69.463%0.62638%0.376SS*.EExtended strand (participates in β ladder)trans-142.3136178.1-171.2175.6-179.5-179.70108.8N153K123-N153 HydrophobicContact CB-CB 4.48Å; K123-N153 WeakPolarHBondContact O-CA 3.39Å; K123-N153 VanDerWaalsContact O-CB 3.27Å; K123-N153 WeakPolarHBondContact O-CB 3.2Å; K123-N153 PolarHBondContact O-N 2.92Å
124S93.8Very high93.1Very high58 Ų5871.2 Ų71.241%0.40638%0.38SS..EExtended strand (participates in β ladder)trans-139.9142.7177.6-570000109.7T151S124-T151 CarbonylContact C-O 3.55Å; S124-T151 VanDerWaalsContact CA-O 3.31Å; S124-T151 WeakPolarHBondContact CA-O 3.45Å
125I95Very high92.7Very high85 Ų8574.1 Ų74.144%0.43640%0.395SS..EExtended strand (participates in β ladder)trans-123122-175.1-55.8173.6000107.6L150 T151I125-L150 WeakPolarHBondContact O-CA 3.35Å; I125-T151 PolarHBondContact N-O 3.24Å; I125-T151 PolarHBondContact O-N 2.95Å
126A95.1Very high92.6Very high59 Ų5972.1 Ų72.149%0.48838%0.384SS..EExtended strand (participates in β ladder)trans-87.8119.5165.900000108.8L150A126-L150 HydrophobicContact CB-CD2 3.79Å
127H93.1Very high92.5Very high51 Ų5175.7 Ų75.724%0.23639%0.394CS..  trans-69.5135.9-176.1-69.9-85.7000111.7N133 R149 T151H127-N133 HydrophobicContact CB-CB 4.29Å; H127-N133 VanDerWaalsContact CB-ND2 3.35Å; H127-N133 WeakPolarHBondContact CB-ND2 3.35Å; H127-N133 WeakPolarHBondContact O-CB 3.27Å; H127-N133 PolarHBondContact O-N 2.94Å; H127-R149 PolarHBondContact N-O 2.81Å; H127-T151 PolarHBondContact CE1-OG1 2.95Å; H127-T151 PolarHBondContact NE2-OG1 2.73Å
128N92Very high92.4Very high116 Ų11672.7 Ų72.762%0.6238%0.38SS*.  trans-12915.3-174.168.8-13.8000116T131N128-T131 CarbonylContact C-O 3.47Å; N128-T131 CarbonylContact O-C 3.52Å; N128-T131 VanDerWaalsContact O-C 3.25Å
129M87.8Confident92.3Very high146 Ų14675.2 Ų75.272%0.71939%0.394SS*.SBendtrans-109.5132.6-177.8-174.765.570.400111.4T131M129-T131 VanDerWaalsContact C-N 3.34Å
130T87.1Confident92.3Very high129 Ų12974.3 Ų74.379%0.79139%0.393SS*.SBendcis-77.9-14.2-9.750.80000113.5
131T86.3Confident92.2Very high80 Ų8077.3 Ų77.349%0.49141%0.409SS..SBendtrans-131.1163169.8560000108.8N128 M129 N133N128-T131 CarbonylContact C-O 3.47Å; N128-T131 CarbonylContact O-C 3.52Å; N128-T131 VanDerWaalsContact O-C 3.25Å; M129-T131 VanDerWaalsContact C-N 3.34Å; T131-N133 PolarHBondContact O-N 2.77Å; T131-N133 VanDerWaalsContact O-N 3.09Å; T131-N133 PolarHBondContact O-OD1 2.84Å; T131-N133 VanDerWaalsContact O-OD1 3.14Å
132P89.2Confident92.2Very high60 Ų6076 Ų7639%0.3940%0.396SS..  trans-50.4118.4172.4-25.930.6000112N105 K134N105-P132 VanDerWaalsContact ND2-CB 3.34Å; N105-P132 WeakPolarHBondContact ND2-CB 3.49Å; N105-P132 VanDerWaalsContact ND2-CD 3.27Å; N105-P132 WeakPolarHBondContact ND2-CD 3.5Å; N105-P132 WeakPolarHBondContact ND2-CG 3.36Å; N105-P132 PolarHBondContact ND2-O 3.33Å; P132-K134 PolarHBondContact O-N 2.73Å
133N88.9Confident92.4Very high51 Ų5171.8 Ų71.827%0.27338%0.38SS..  trans-7665.8-175.6-70.3-19.1000110.9H127 T131 M148 R149H127-N133 HydrophobicContact CB-CB 4.29Å; H127-N133 VanDerWaalsContact CB-ND2 3.35Å; H127-N133 WeakPolarHBondContact CB-ND2 3.35Å; H127-N133 WeakPolarHBondContact O-CB 3.27Å; H127-N133 PolarHBondContact O-N 2.94Å; T131-N133 PolarHBondContact O-N 2.77Å; T131-N133 VanDerWaalsContact O-N 3.09Å; T131-N133 PolarHBondContact O-OD1 2.84Å; T131-N133 VanDerWaalsContact O-OD1 3.14Å; N133-M148 WeakPolarHBondContact O-CA 3.44Å; N133-R149 HydrophobicContact CB-CB 3.96Å; N133-R149 PolarHBondContact O-N 2.92Å; N133-R149 VanDerWaalsContact O-N 3.17Å
134K91.6Very high92.6Very high87 Ų8765 Ų6538%0.37835%0.35SS..EExtended strand (participates in β ladder)trans-123.4116.9-179.9-70179.4178.1-170.90107.8N105 P132 Y146 T147N105-K134 HydrophobicContact CB-CB 4Å; P132-K134 PolarHBondContact O-N 2.73Å; K134-Y146 HydrophobicContact CB-CE2 4.13Å; K134-Y146 HydrophobicContact CD-CE2 4.32Å; K134-Y146 WeakPolarHBondContact CD-OH 3.49Å; K134-Y146 WeakPolarHBondContact CE-OH 3.21Å; K134-Y146 HydrophobicContact CG-CE2 4.22Å; K134-T147 CarbonylContact C-O 3.56Å; K134-T147 WeakPolarHBondContact CA-O 3.37Å
135L90Very high92.8Very high70 Ų7064 Ų6437%0.36634%0.34SS..EExtended strand (participates in β ladder)trans-98.8132.5173176.7155.3000108.6R137 L145 T147L135-R137 HydrophobicContact CD2-CG 3.86Å; L135-L145 HydrophobicContact CD2-CD2 4.4Å; L135-T147 PolarHBondContact N-O 3.28Å; L135-T147 PolarHBondContact O-N 3.03Å
136F93.1Very high92.8Very high2 Ų260.4 Ų60.41%0.00932%0.321CS..EExtended strand (participates in β ladder)trans-129.5123.7177.3-175.6-93.3000110.3L103 M107 V108 I111 L138 I144 L145L103-F136 HydrophobicContact CB-CD1 4.02Å; L103-F136 HydrophobicContact CD1-CD1 4.08Å; L103-F136 HydrophobicContact CD1-CE1 3.94Å; L103-F136 HydrophobicContact CG-CD1 4.38Å; L103-F136 PolarHBondContact N-O 2.92Å; M107-F136 HydrophobicContact CG-CD1 4.41Å; M107-F136 HydrophobicContact CG-CE1 4.21Å; V108-F136 HydrophobicContact CG2-CB 3.74Å; V108-F136 HydrophobicContact CG2-CD2 3.95Å; V108-F136 HydrophobicContact CG2-CG 4.03Å; I111-F136 HydrophobicContact CD1-CD2 4.09Å; I111-F136 HydrophobicContact CD1-CE2 3.13Å; I111-F136 HydrophobicContact CD1-CZ 3.43Å; I111-F136 VanDerWaalsContact CD1-CZ 3.43Å; I111-F136 HydrophobicContact CG1-CE2 4.44Å; F136-L138 HydrophobicContact CE1-CB 3.92Å; F136-L138 HydrophobicContact CZ-CB 4.41Å; F136-I144 HydrophobicContact CD2-CG2 3.99Å; F136-I144 HydrophobicContact CE2-CB 4.37Å; F136-I144 HydrophobicContact CE2-CG1 4.28Å; F136-I144 HydrophobicContact CE2-CG2 3.25Å; F136-I144 HydrophobicContact CZ-CD1 4.38Å; F136-I144 HydrophobicContact CZ-CG1 4.06Å; F136-I144 HydrophobicContact CZ-CG2 3.85Å; F136-L145 WeakPolarHBondContact CA-O 3.36Å
137R95.1Very high92.9Very high108 Ų10858.2 Ų58.241%0.40830%0.302SS..EExtended strand (participates in β ladder)trans-127.4128.3173.7-67.2-179.3-179174.41110I100 L101 L135 I144 L145I100-R137 HydrophobicContact CG2-CB 4Å; I100-R137 HydrophobicContact CG2-CG 4.36Å; L101-R137 WeakPolarHBondContact O-CA 3.48Å; L135-R137 HydrophobicContact CD2-CG 3.86Å; R137-I144 WeakPolarHBondContact O-CA 3.44Å; R137-L145 HydrophobicContact CB-CB 4.28Å; R137-L145 PolarHBondContact N-O 3.05Å; R137-L145 PolarHBondContact O-N 2.92Å
138L95.4Very high93Very high0 Ų057.4 Ų57.40%030%0.298CS..EExtended strand (participates in β ladder)trans-107.9121.6175.9-179.965.6000109.5L39 L92 F94 I100 L101 F136 I144L39-L138 HydrophobicContact CD1-CD2 4.04Å; L92-L138 HydrophobicContact CB-CD1 3.89Å; L92-L138 HydrophobicContact CB-CD2 4.36Å; F94-L138 HydrophobicContact CD1-CD2 3.95Å; F94-L138 HydrophobicContact CD1-CG 4.23Å; F94-L138 HydrophobicContact CE1-CD2 4.01Å; F94-L138 HydrophobicContact CE1-CG 3.91Å; I100-L138 WeakPolarHBondContact CA-O 3.36Å; L101-L138 HydrophobicContact CB-CB 4.49Å; L101-L138 PolarHBondContact N-O 2.81Å; L101-L138 PolarHBondContact O-N 2.92Å; F136-L138 HydrophobicContact CE1-CB 3.92Å; F136-L138 HydrophobicContact CZ-CB 4.41Å; L138-I144 HydrophobicContact CD1-CD1 4.43Å; L138-I144 HydrophobicContact CD1-CG1 3.66Å
139M95.9Very high93.2Very high80 Ų8056.1 Ų56.139%0.39429%0.285SS..EExtended strand (participates in β ladder)trans-86.5152.3173.3-63.8-179.7147.400110.6E99 I100 N141 G142 T143E99-M139 WeakPolarHBondContact O-CA 3.45Å; I100-M139 HydrophobicContact CD1-CE 4.17Å; I100-M139 HydrophobicContact CG1-CG 4.35Å; M139-N141 WeakPolarHBondContact CB-OD1 3.28Å; M139-N141 PolarHBondContact O-N 3.02Å; M139-N141 VanDerWaalsContact O-N 3.09Å; M139-G142 PolarHBondContact O-N 2.93Å; M139-T143 WeakPolarHBondContact CB-O 3.47Å; M139-T143 PolarHBondContact N-O 3.02Å; M139-T143 HydrophobicContact SD-CG2 4.09Å
140Q93.4Very high93.6Very high73 Ų7349.7 Ų49.734%0.34125%0.253SS..THydrogen-bonded Turntrans-55.7-30-179-161.9173.74.700114.1F94 E99 G142F94-Q140 HydrophobicContact CE1-CB 4.4Å; F94-Q140 HydrophobicContact CE2-CG 4.34Å; F94-Q140 HydrophobicContact CZ-CB 4.17Å; F94-Q140 HydrophobicContact CZ-CG 4.42Å; F94-Q140 PolarHBondContact N-O 3.45Å; F94-Q140 WeakPolarHBondContact O-CG 3.43Å; E99-Q140 PolarHBondContact O-N 2.85Å; Q140-G142 PolarHBondContact O-N 2.87Å
141N94.4Very high94.1Very high89 Ų8944.7 Ų44.748%0.47622%0.222SC..THydrogen-bonded Turntrans-78.83.6177.669.8-1.2000114.5K93 M139 T143K93-N141 WeakPolarHBondContact CE-O 3.41Å; K93-N141 WeakPolarHBondContact CG-O 3.41Å; M139-N141 WeakPolarHBondContact CB-OD1 3.28Å; M139-N141 PolarHBondContact O-N 3.02Å; M139-N141 VanDerWaalsContact O-N 3.09Å; N141-T143 PolarHBondContact ND2-OG1 2.98Å; N141-T143 WeakPolarHBondContact OD1-CB 3.33Å; N141-T143 PolarHBondContact OD1-N 3.24Å; N141-T143 PolarHBondContact OD1-OG1 2.84Å
142G94.6Very high94.6Very high0 Ų040.9 Ų40.90%020%0.199CC..SBendtrans84.75.6-176.800000114D89 M139 Q140D89-G142 PolarHBondContact N-O 2.98Å; D89-G142 WeakPolarHBondContact O-CA 3.36Å; M139-G142 PolarHBondContact O-N 2.93Å; Q140-G142 PolarHBondContact O-N 2.87Å
143T97Very high95Very high20 Ų2039.2 Ų39.212%0.12319%0.187CC..EExtended strand (participates in β ladder)trans-76.5132.3173.8-55.60000110.1T86 W87 T88 M139 N141T86-T143 HydrophobicContact CG2-CG2 3.52Å; W87-T143 WeakPolarHBondContact O-CA 3.32Å; T88-T143 PolarHBondContact OG1-OG1 3.14Å; M139-T143 WeakPolarHBondContact CB-O 3.47Å; M139-T143 PolarHBondContact N-O 3.02Å; M139-T143 HydrophobicContact SD-CG2 4.09Å; N141-T143 PolarHBondContact ND2-OG1 2.98Å; N141-T143 WeakPolarHBondContact OD1-CB 3.33Å; N141-T143 PolarHBondContact OD1-N 3.24Å; N141-T143 PolarHBondContact OD1-OG1 2.84Å
144I96.8Very high95.4Very high0 Ų036.8 Ų36.80%017%0.174CC..EExtended strand (participates in β ladder)trans-111.3132.2-177.5-69.5161.1000108.4T86 W87 D89 L92 I111 F136 R137 L138T86-I144 WeakPolarHBondContact CA-O 3.32Å; T86-I144 WeakPolarHBondContact CG2-O 3.35Å; W87-I144 HydrophobicContact CD2-CB 4.24Å; W87-I144 HydrophobicContact CD2-CG2 4.32Å; W87-I144 HydrophobicContact CE3-CG2 4.31Å; W87-I144 HydrophobicContact CH2-CB 4.48Å; W87-I144 HydrophobicContact CH2-CG2 3.59Å; W87-I144 HydrophobicContact CZ2-CB 4.12Å; W87-I144 HydrophobicContact CZ2-CD1 3.91Å; W87-I144 HydrophobicContact CZ2-CG2 3.58Å; W87-I144 HydrophobicContact CZ3-CG2 3.98Å; W87-I144 PolarHBondContact N-O 3.16Å; W87-I144 PolarHBondContact O-N 3.31Å; D89-I144 HydrophobicContact CB-CD1 4.03Å; L92-I144 HydrophobicContact CD1-CD1 3.69Å; I111-I144 HydrophobicContact CD1-CD1 4.45Å; F136-I144 HydrophobicContact CD2-CG2 3.99Å; F136-I144 HydrophobicContact CE2-CB 4.37Å; F136-I144 HydrophobicContact CE2-CG1 4.28Å; F136-I144 HydrophobicContact CE2-CG2 3.25Å; F136-I144 HydrophobicContact CZ-CD1 4.38Å; F136-I144 HydrophobicContact CZ-CG1 4.06Å; F136-I144 HydrophobicContact CZ-CG2 3.85Å; R137-I144 WeakPolarHBondContact O-CA 3.44Å; L138-I144 HydrophobicContact CD1-CD1 4.43Å; L138-I144 HydrophobicContact CD1-CG1 3.66Å
145L96.7Very high95.6Very high38 Ų3835.3 Ų35.320%0.19917%0.17CC..EExtended strand (participates in β ladder)trans-106.6115.8163.117365.7000108.5R84 T86 L135 F136 R137R84-L145 HydrophobicContact CB-CD1 4.45Å; T86-L145 WeakPolarHBondContact OG1-CD1 3.24Å; L135-L145 HydrophobicContact CD2-CD2 4.4Å; F136-L145 WeakPolarHBondContact CA-O 3.36Å; R137-L145 HydrophobicContact CB-CB 4.28Å; R137-L145 PolarHBondContact N-O 3.05Å; R137-L145 PolarHBondContact O-N 2.92Å
146Y96.4Very high95.9Very high9 Ų932 Ų324%0.03515%0.153CC..EExtended strand (participates in β ladder)trans-111.9130.9173.7-177.9-136.4000109.3R84 Q85 W87 V108 K134 M148R84-Y146 WeakPolarHBondContact CA-O 3.07Å; Q85-Y146 PolarHBondContact N-O 3.09Å; Q85-Y146 PolarHBondContact O-N 3.5Å; W87-Y146 HydrophobicContact CH2-CD1 4.24Å; W87-Y146 HydrophobicContact CH2-CG 4.18Å; W87-Y146 VanDerWaalsContact CZ3-CB 3.48Å; W87-Y146 HydrophobicContact CZ3-CD1 4.23Å; W87-Y146 HydrophobicContact CZ3-CG 4.26Å; V108-Y146 HydrophobicContact CG1-CD2 4.34Å; V108-Y146 HydrophobicContact CG1-CE2 3.7Å; V108-Y146 HydrophobicContact CG2-CD2 4.4Å; V108-Y146 HydrophobicContact CG2-CE2 4.12Å; K134-Y146 HydrophobicContact CB-CE2 4.13Å; K134-Y146 HydrophobicContact CD-CE2 4.32Å; K134-Y146 WeakPolarHBondContact CD-OH 3.49Å; K134-Y146 WeakPolarHBondContact CE-OH 3.21Å; K134-Y146 HydrophobicContact CG-CE2 4.22Å; Y146-M148 HydrophobicContact CD1-CE 3.99Å; Y146-M148 HydrophobicContact CE1-CE 3.13Å; Y146-M148 WeakPolarHBondContact OH-CE 3.48Å
147T96.3Very high95.9Very high14 Ų1436.1 Ų36.19%0.08618%0.18CC..EExtended strand (participates in β ladder)trans-136.2139.4177.8-65.70000109.8F82 F83 R84 K134 L135F82-T147 HydrophobicContact CB-CG2 4.17Å; F82-T147 HydrophobicContact CD1-CG2 4.5Å; F83-T147 WeakPolarHBondContact O-CA 3.34Å; R84-T147 WeakPolarHBondContact CD-OG1 3.43Å; R84-T147 HydrophobicContact CG-CG2 3.89Å; R84-T147 WeakPolarHBondContact CG-OG1 3.5Å; K134-T147 CarbonylContact C-O 3.56Å; K134-T147 WeakPolarHBondContact CA-O 3.37Å; L135-T147 PolarHBondContact N-O 3.28Å; L135-T147 PolarHBondContact O-N 3.03Å
148M95.2Very high95.7Very high34 Ų3431.3 Ų31.317%0.16716%0.162CC..EExtended strand (participates in β ladder)trans-132.3144.4175.958.5179.482.600110.7F82 F83 N133 Y146 L150F82-M148 WeakPolarHBondContact CA-O 3.43Å; F83-M148 HydrophobicContact CB-CG 3.97Å; F83-M148 HydrophobicContact CD1-CG 4.42Å; F83-M148 HydrophobicContact CD1-SD 4.48Å; F83-M148 PolarHBondContact N-O 3.38Å; F83-M148 PolarHBondContact O-N 2.8Å; N133-M148 WeakPolarHBondContact O-CA 3.44Å; Y146-M148 HydrophobicContact CD1-CE 3.99Å; Y146-M148 HydrophobicContact CE1-CE 3.13Å; Y146-M148 WeakPolarHBondContact OH-CE 3.48Å; M148-L150 HydrophobicContact CB-CD2 4.47Å; M148-L150 HydrophobicContact CG-CD1 4.05Å; M148-L150 HydrophobicContact CG-CD2 4.07Å; M148-L150 HydrophobicContact CG-CG 3.85Å; M148-L150 HydrophobicContact SD-CD1 3.71Å; M148-L150 HydrophobicContact SD-CD2 3.72Å; M148-L150 HydrophobicContact SD-CG 3.9Å
149R95.9Very high95.5Very high88 Ų8839 Ų3933%0.33219%0.191SC..EExtended strand (participates in β ladder)trans-90.3120.9169.3-171-176.7169.3-179.6-2.7109.7V81 F82 H127 N133V81-R149 WeakPolarHBondContact O-CA 3.45Å; F82-R149 HydrophobicContact CD1-CB 3.87Å; F82-R149 HydrophobicContact CD1-CG 4.1Å; F82-R149 HydrophobicContact CE1-CB 3.78Å; F82-R149 HydrophobicContact CE1-CG 3.82Å; H127-R149 PolarHBondContact N-O 2.81Å; N133-R149 HydrophobicContact CB-CB 3.96Å; N133-R149 PolarHBondContact O-N 2.92Å; N133-R149 VanDerWaalsContact O-N 3.17Å
150L96.8Very high95.4Very high12 Ų1235.2 Ų35.26%0.06317%0.173CC..EExtended strand (participates in β ladder)trans-123.7141.2-178.4-58.9179000110.8D80 V81 F83 F118 I125 A126 M148 I152D80-L150 CarbonylContact C-O 3.6Å; D80-L150 WeakPolarHBondContact CA-O 3.33Å; V81-L150 HydrophobicContact CG2-CB 4.08Å; V81-L150 PolarHBondContact N-O 3.11Å; V81-L150 PolarHBondContact O-N 2.93Å; F83-L150 HydrophobicContact CB-CD1 4.06Å; F118-L150 HydrophobicContact CE2-CD1 3.58Å; F118-L150 HydrophobicContact CZ-CD1 3.96Å; I125-L150 WeakPolarHBondContact O-CA 3.35Å; A126-L150 HydrophobicContact CB-CD2 3.79Å; M148-L150 HydrophobicContact CB-CD2 4.47Å; M148-L150 HydrophobicContact CG-CD1 4.05Å; M148-L150 HydrophobicContact CG-CD2 4.07Å; M148-L150 HydrophobicContact CG-CG 3.85Å; M148-L150 HydrophobicContact SD-CD1 3.71Å; M148-L150 HydrophobicContact SD-CD2 3.72Å; M148-L150 HydrophobicContact SD-CG 3.9Å; L150-I152 HydrophobicContact CB-CD1 4.32Å; L150-I152 HydrophobicContact CB-CG1 3.98Å; L150-I152 HydrophobicContact CD1-CD1 4.36Å
151T96.9Very high95.3Very high23 Ų2335 Ų3514%0.14118%0.176CC..EExtended strand (participates in β ladder)trans-99.1121.7155.8-61.40000107.6T78 M79 D80 S124 I125 H127T78-T151 HydrophobicContact CG2-CG2 3.6Å; M79-T151 CarbonylContact O-C 3.56Å; M79-T151 WeakPolarHBondContact O-CA 3.42Å; D80-T151 WeakPolarHBondContact OD1-CA 3.32Å; D80-T151 VanDerWaalsContact OD1-CB 3.24Å; D80-T151 WeakPolarHBondContact OD1-CB 3.46Å; D80-T151 VanDerWaalsContact OD1-CG2 3.31Å; D80-T151 WeakPolarHBondContact OD1-CG2 3.26Å; D80-T151 PolarHBondContact OD1-OG1 2.92Å; S124-T151 CarbonylContact C-O 3.55Å; S124-T151 VanDerWaalsContact CA-O 3.31Å; S124-T151 WeakPolarHBondContact CA-O 3.45Å; I125-T151 PolarHBondContact N-O 3.24Å; I125-T151 PolarHBondContact O-N 2.95Å; H127-T151 PolarHBondContact CE1-OG1 2.95Å; H127-T151 PolarHBondContact NE2-OG1 2.73Å
152I97Very high95.3Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-115.4125.5-177.1-57.2165.9000108T78 M79 V81 F118 L150 A154 L172T78-I152 CarbonylContact C-O 3.59Å; T78-I152 VanDerWaalsContact CA-O 3.32Å; T78-I152 WeakPolarHBondContact CA-O 3.48Å; M79-I152 HydrophobicContact CE-CG2 4.45Å; M79-I152 HydrophobicContact CG-CB 4.22Å; M79-I152 PolarHBondContact N-O 2.82Å; M79-I152 PolarHBondContact O-N 3.07Å; V81-I152 HydrophobicContact CG2-CD1 3.65Å; V81-I152 HydrophobicContact CG2-CG1 4.47Å; F118-I152 HydrophobicContact CD1-CD1 4.1Å; F118-I152 HydrophobicContact CD2-CD1 4.12Å; F118-I152 HydrophobicContact CD2-CG1 4.38Å; F118-I152 HydrophobicContact CE1-CD1 3.58Å; F118-I152 HydrophobicContact CE2-CD1 3.62Å; F118-I152 HydrophobicContact CE2-CG1 4.16Å; F118-I152 HydrophobicContact CG-CD1 4.36Å; F118-I152 HydrophobicContact CG-CG2 4.42Å; F118-I152 HydrophobicContact CZ-CD1 3.33Å; F118-I152 HydrophobicContact CZ-CG1 4.34Å; L150-I152 HydrophobicContact CB-CD1 4.32Å; L150-I152 HydrophobicContact CB-CG1 3.98Å; L150-I152 HydrophobicContact CD1-CD1 4.36Å; I152-A154 HydrophobicContact CG2-CB 4.24Å; I152-L172 HydrophobicContact CG2-CD1 4.08Å
153N97Very high95.2Very high26 Ų2631.5 Ų31.514%0.13916%0.157CC..EExtended strand (participates in β ladder)trans-102.7113.4165.3-174.710.5000108.6E76 Y77 G121 K122 K123E76-N153 VanDerWaalsContact CD-ND2 3.33Å; E76-N153 PolarHBondContact OE1-ND2 2.99Å; E76-N153 PolarHBondContact OE1-OD1 2.75Å; Y77-N153 WeakPolarHBondContact O-CA 3.45Å; Y77-N153 PolarHBondContact O-OD1 3.09Å; G121-N153 WeakPolarHBondContact CA-O 3.38Å; K122-N153 PolarHBondContact N-O 3.43Å; K123-N153 HydrophobicContact CB-CB 4.48Å; K123-N153 WeakPolarHBondContact O-CA 3.39Å; K123-N153 VanDerWaalsContact O-CB 3.27Å; K123-N153 WeakPolarHBondContact O-CB 3.2Å; K123-N153 PolarHBondContact O-N 2.92Å
154A97Very high95Very high0 Ų030.5 Ų30.50%015%0.151CC..EExtended strand (participates in β ladder)trans-119.9144.1-172.500000111.7E76 Y77 M79 N120 I152 L172E76-A154 VanDerWaalsContact CA-O 3.28Å; E76-A154 WeakPolarHBondContact CA-O 3.11Å; E76-A154 WeakPolarHBondContact CB-O 3.43Å; Y77-A154 HydrophobicContact CD1-CB 4.33Å; Y77-A154 VanDerWaalsContact CD1-O 3.28Å; Y77-A154 WeakPolarHBondContact CD1-O 3.33Å; Y77-A154 HydrophobicContact CE1-CB 3.7Å; Y77-A154 PolarHBondContact N-O 2.66Å; Y77-A154 PolarHBondContact O-N 2.85Å; M79-A154 HydrophobicContact CE-CB 4.48Å; N120-A154 CarbonylContact O-C 3.46Å; N120-A154 WeakPolarHBondContact O-CA 3.45Å; I152-A154 HydrophobicContact CG2-CB 4.24Å; A154-L172 HydrophobicContact CB-CD1 4.21Å
155D96.6Very high94.9Very high56 Ų5631 Ų3130%0.29915%0.153SC..EExtended strand (participates in β ladder)trans-70.8131.1175.7-165.159.1000110.5N120 K122N120-D155 HydrophobicContact CB-CB 4.38Å; N120-D155 PolarHBondContact ND2-O 3.24Å; N120-D155 PolarHBondContact O-N 3.19Å; K122-D155 WeakPolarHBondContact CE-OD1 3.35Å; K122-D155 IonicContact NZ-OD1 3.09Å; K122-D155 PolarHBondContact NZ-OD1 3.02Å
156C95.8Very high94.7Very high1 Ų129.2 Ų29.21%0.00714%0.144CC..  trans-129.595.3174.7178.70000109.2M75 Y77 M158 C170M75-C156 CarbonylContact C-O 3.53Å; M75-C156 CarbonylContact O-C 3.55Å; M75-C156 PolarHBondContact O-N 3.19Å; Y77-C156 HydrophobicContact CD1-CB 3.65Å; Y77-C156 HydrophobicContact CE1-CB 3.94Å; C156-M158 HydrophobicContact CB-CE 4.19Å; C156-M158 PolarHBondContact O-N 3.28Å; C156-C170 HydrophobicContact CB-CB 3.73Å; C156-C170 WeakPolarHBondContact CB-SG 3.22Å; C156-C170 WeakPolarHBondContact SG-CA 3.4Å; C156-C170 WeakPolarHBondContact SG-CB 3.49Å; C156-C170 CovalentContact SG-SG 2.04Å; C156-C170 PolarHBondContact SG-SG 3.33Å
157P92.8Very high94.6Very high87 Ų8728.9 Ų28.957%0.56514%0.143SC*.  trans-69.9105.4178.828-33.6000110
158M91.9Very high94.5Very high8 Ų828.4 Ų28.44%0.03914%0.14CC..  trans-93.6143.8-178.5-64.4169.5-162.500111.6V70 C156 L160 H168V70-M158 HydrophobicContact CG1-CE 3.37Å; C156-M158 HydrophobicContact CB-CE 4.19Å; C156-M158 PolarHBondContact O-N 3.28Å; M158-L160 HydrophobicContact CB-CD2 4.1Å; M158-H168 HydrophobicContact CG-CB 4.5Å
159R91.8Very high94.5Very high161 Ų16127.6 Ų27.661%0.60814%0.139SC*.  trans-107.6110.6168.7-66.5-179.9171.8-179.61.5110V161 H168 E447R159-V161 VanDerWaalsContact C-N 3.3Å; R159-V161 PolarHBondContact O-N 2.57Å; R159-H168 PolarHBondContact O-CE1 3.25Å; R159-E447 WeakPolarHBondContact CB-OE1 3.49Å; R159-E447 WeakPolarHBondContact CB-OE2 3.37Å; R159-E447 VanDerWaalsContact CD-OE1 3.25Å; R159-E447 WeakPolarHBondContact CD-OE1 3.42Å; R159-E447 WeakPolarHBondContact CD-OE2 3.48Å
160L92.8Very high94.5Very high1 Ų123.4 Ų23.41%0.00512%0.123CC..  trans-9220.2-170.7-58178000113.3M158 N162 F163 D166 L294 P295 V297 Y299 T301M158-L160 HydrophobicContact CB-CD2 4.1Å; L160-N162 VanDerWaalsContact C-N 3.27Å; L160-N162 PolarHBondContact O-N 2.72Å; L160-F163 HydrophobicContact CB-CB 4.13Å; L160-F163 HydrophobicContact CD2-CD2 4.44Å; L160-F163 WeakPolarHBondContact O-CB 3.37Å; L160-F163 PolarHBondContact O-N 2.91Å; L160-D166 WeakPolarHBondContact CD2-OD2 3.48Å; L160-L294 HydrophobicContact CD1-CD2 4.15Å; L160-P295 HydrophobicContact CD1-CG 3.37Å; L160-V297 HydrophobicContact CD1-CG1 4.33Å; L160-Y299 HydrophobicContact CB-CE2 4.35Å; L160-Y299 PolarHBondContact N-OH 3.4Å; L160-T301 HydrophobicContact CB-CG2 4.5Å; L160-T301 VanDerWaalsContact O-CG2 3.31Å; L160-T301 WeakPolarHBondContact O-CG2 3.49Å
161V92.4Very high94.5Very high68 Ų6823.5 Ų23.541%0.41212%0.124SC..THydrogen-bonded Turntrans-59-41.4-176.41790000111.1R159 F163 Y299 T301 A302R159-V161 VanDerWaalsContact C-N 3.3Å; R159-V161 PolarHBondContact O-N 2.57Å; V161-F163 VanDerWaalsContact C-N 3.34Å; V161-Y299 HydrophobicContact CB-CE2 4.42Å; V161-Y299 HydrophobicContact CG2-CD2 3.77Å; V161-Y299 HydrophobicContact CG2-CE2 3.63Å; V161-Y299 HydrophobicContact CG2-CG 4.41Å; V161-T301 CarbonylContact O-C 3.57Å; V161-A302 PolarHBondContact O-N 2.94Å
162N92.9Very high94.5Very high13 Ų1322.4 Ų22.47%0.0712%0.118CC..THydrogen-bonded Turntrans-91.210.1179.6-53-51.1000113.1L160 M165 K443 T445L160-N162 VanDerWaalsContact C-N 3.27Å; L160-N162 PolarHBondContact O-N 2.72Å; N162-M165 CarbonylContact O-C 3.48Å; N162-M165 WeakPolarHBondContact O-CA 3.32Å; N162-M165 PolarHBondContact O-N 2.92Å; N162-K443 PolarHBondContact OD1-NZ 3.48Å; N162-T445 HydrophobicContact CB-CG2 3.91Å
163F93.4Very high94.5Very high2 Ų225.4 Ų25.41%0.00913%0.131CC..THydrogen-bonded Turntrans-56134.1-177.3177.3-86.6000111.9L160 V161 R238 F243 L294 T301 A302 M303L160-F163 HydrophobicContact CB-CB 4.13Å; L160-F163 HydrophobicContact CD2-CD2 4.44Å; L160-F163 WeakPolarHBondContact O-CB 3.37Å; L160-F163 PolarHBondContact O-N 2.91Å; V161-F163 VanDerWaalsContact C-N 3.34Å; F163-R238 VanDerWaalsContact CE2-CZ 3.46Å; F163-F243 HydrophobicContact CE1-CD1 4.29Å; F163-F243 AromaticContact CE1-CE1 3.93Å; F163-F243 HydrophobicContact CE1-CE1 3.93Å; F163-F243 HydrophobicContact CE1-CZ 4.38Å; F163-F243 HydrophobicContact CE2-CE1 4.25Å; F163-F243 AromaticContact CE2-CZ 3.9Å; F163-F243 HydrophobicContact CE2-CZ 3.9Å; F163-F243 HydrophobicContact CZ-CD1 4.08Å; F163-F243 AromaticContact CZ-CE1 3.32Å; F163-F243 HydrophobicContact CZ-CE1 3.32Å; F163-F243 HydrophobicContact CZ-CE2 4.28Å; F163-F243 AromaticContact CZ-CZ 3.43Å; F163-F243 HydrophobicContact CZ-CZ 3.43Å; F163-F243 VanDerWaalsContact CZ-CZ 3.43Å; F163-L294 HydrophobicContact CD1-CD1 3.86Å; F163-L294 HydrophobicContact CD1-CD2 3.93Å; F163-L294 HydrophobicContact CD1-CG 4.4Å; F163-L294 HydrophobicContact CD2-CD2 3.7Å; F163-L294 HydrophobicContact CE1-CD1 3.65Å; F163-L294 HydrophobicContact CE1-CD2 3.72Å; F163-L294 HydrophobicContact CE1-CG 3.94Å; F163-L294 HydrophobicContact CE2-CD2 3.44Å; F163-L294 VanDerWaalsContact CE2-CD2 3.44Å; F163-L294 HydrophobicContact CE2-CG 4.41Å; F163-L294 HydrophobicContact CG-CD2 3.92Å; F163-L294 HydrophobicContact CZ-CD1 4.17Å; F163-L294 HydrophobicContact CZ-CD2 3.44Å; F163-L294 VanDerWaalsContact CZ-CD2 3.44Å; F163-L294 HydrophobicContact CZ-CG 3.92Å; F163-T301 HydrophobicContact CB-CG2 4.25Å; F163-A302 WeakPolarHBondContact O-CB 3.46Å; F163-M303 HydrophobicContact CD1-CB 4.15Å; F163-M303 HydrophobicContact CD1-CE 4.21Å; F163-M303 HydrophobicContact CD1-SD 4.24Å; F163-M303 HydrophobicContact CE1-CE 3.86Å; F163-M303 HydrophobicContact CE1-SD 3.74Å; F163-M303 PolarHBondContact O-N 2.93Å; F163-M303 VanDerWaalsContact O-N 3.12Å
164P93.6Very high94.6Very high0 Ų024.1 Ų24.10%012%0.124CC..THydrogen-bonded Turncis-94.312.84.834.3-31.6000115.2D166 R238 M240 F243 Y248P164-D166 WeakPolarHBondContact CA-OD1 3.33Å; P164-D166 PolarHBondContact O-N 3.09Å; P164-R238 WeakPolarHBondContact O-CD 3.44Å; P164-M240 HydrophobicContact CB-SD 3.91Å; P164-M240 HydrophobicContact CG-CE 3.98Å; P164-M240 HydrophobicContact CG-SD 3.7Å; P164-F243 HydrophobicContact CB-CB 4.24Å; P164-F243 HydrophobicContact CB-CD1 4.25Å; P164-F243 HydrophobicContact CB-CD2 3.48Å; P164-F243 VanDerWaalsContact CB-CD2 3.48Å; P164-F243 HydrophobicContact CB-CE2 3.87Å; P164-F243 HydrophobicContact CB-CG 3.7Å; P164-F243 HydrophobicContact CB-CZ 4.39Å; P164-F243 HydrophobicContact CG-CB 3.83Å; P164-F243 HydrophobicContact CG-CD1 4.45Å; P164-F243 HydrophobicContact CG-CD2 4.04Å; P164-F243 HydrophobicContact CG-CG 3.83Å; P164-Y248 WeakPolarHBondContact CD-OH 3.1Å; P164-Y248 HydrophobicContact CG-CE2 4Å
165M93.4Very high94.6Very high9 Ų924.2 Ų24.24%0.04412%0.124CC..SBendtrans-90.125.8-179.1-68.5158.9-91.600111.9N162 M240 Y248 Y436 W437 Y440 L441 T445N162-M165 CarbonylContact O-C 3.48Å; N162-M165 WeakPolarHBondContact O-CA 3.32Å; N162-M165 PolarHBondContact O-N 2.92Å; M165-M240 HydrophobicContact CB-SD 4.3Å; M165-M240 HydrophobicContact CE-CE 3.94Å; M165-M240 HydrophobicContact CG-CE 3.16Å; M165-M240 HydrophobicContact CG-CG 4.37Å; M165-M240 HydrophobicContact CG-SD 3.39Å; M165-M240 WeakPolarHBondContact CG-SD 3.28Å; M165-M240 HydrophobicContact SD-CE 3.68Å; M165-Y248 WeakPolarHBondContact CE-OH 3.4Å; M165-Y436 HydrophobicContact CE-CE1 4.06Å; M165-Y436 WeakPolarHBondContact CE-OH 3.35Å; M165-W437 HydrophobicContact CE-CZ3 4.11Å; M165-W437 HydrophobicContact SD-CE3 4.31Å; M165-W437 HydrophobicContact SD-CZ3 3.98Å; M165-Y440 HydrophobicContact CE-CG 4.35Å; M165-Y440 WeakPolarHBondContact SD-CB 3.48Å; M165-Y440 HydrophobicContact SD-CG 4.47Å; M165-L441 HydrophobicContact CG-CD2 4.29Å; M165-L441 HydrophobicContact SD-CD2 3.94Å; M165-L441 HydrophobicContact SD-CG 4.39Å; M165-T445 VanDerWaalsContact O-CB 3.24Å; M165-T445 WeakPolarHBondContact O-CB 3.39Å; M165-T445 WeakPolarHBondContact O-CG2 3.45Å; M165-T445 PolarHBondContact O-OG1 2.99Å
166D93.1Very high94.6Very high2 Ų221.7 Ų21.71%0.01111%0.111CC..  trans-88.1146.6-172.751.7-36.5000113.2L160 P164 H168 Q237 R238L160-D166 WeakPolarHBondContact CD2-OD2 3.48Å; P164-D166 WeakPolarHBondContact CA-OD1 3.33Å; P164-D166 PolarHBondContact O-N 3.09Å; D166-H168 IonicContact OD2-CD2 2.7Å; D166-H168 IonicContact OD2-CE1 3.44Å; D166-H168 PolarHBondContact OD2-CE1 3.01Å; D166-H168 IonicContact OD2-NE2 3.69Å; D166-H168 PolarHBondContact OD2-NE2 2.82Å; D166-Q237 PolarHBondContact O-NE2 3.4Å; D166-R238 PolarHBondContact O-N 2.85Å; D166-R238 WeakPolarHBondContact OD1-CD 3.39Å; D166-R238 IonicContact OD1-CZ 2.98Å; D166-R238 IonicContact OD1-NE 3.71Å; D166-R238 PolarHBondContact OD1-NE 2.88Å; D166-R238 IonicContact OD1-NH2 3.5Å; D166-R238 IonicContact OD2-CZ 3.34Å; D166-R238 IonicContact OD2-NE 3.3Å; D166-R238 PolarHBondContact OD2-NE 3.38Å; D166-R238 IonicContact OD2-NH2 2.81Å; D166-R238 PolarHBondContact OD2-NH2 2.87Å
167G93.5Very high94.6Very high1 Ų129.6 Ų29.61%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-127.7132.4172.400000109.7L236 T445 E447G167-L236 CarbonylContact C-O 3.52Å; G167-L236 WeakPolarHBondContact CA-O 3.3Å; G167-T445 PolarHBondContact N-OG1 3.31Å; G167-E447 PolarHBondContact O-N 3.05Å
168H94.3Very high94.7Very high4 Ų428.1 Ų28.12%0.01914%0.137CC..EExtended strand (participates in β ladder)trans-120.7144.8-172.7-57.7-66000111.2M158 R159 D166 Y208 L236M158-H168 HydrophobicContact CG-CB 4.5Å; R159-H168 PolarHBondContact O-CE1 3.25Å; D166-H168 IonicContact OD2-CD2 2.7Å; D166-H168 IonicContact OD2-CE1 3.44Å; D166-H168 PolarHBondContact OD2-CE1 3.01Å; D166-H168 IonicContact OD2-NE2 3.69Å; D166-H168 PolarHBondContact OD2-NE2 2.82Å; H168-Y208 AromaticContact CD2-CE1 4Å; H168-L236 PolarHBondContact N-O 3.35Å; H168-L236 PolarHBondContact O-N 3.38Å
169A95.4Very high94.9Very high17 Ų1730.1 Ų30.114%0.1415%0.145CC..EExtended strand (participates in β ladder)trans-105.992.2168.400000109.6P171 Y233 F234 E447A169-P171 WeakPolarHBondContact O-CD 3.41Å; A169-Y233 HydrophobicContact CB-CD1 4.09Å; A169-F234 CarbonylContact C-O 3.57Å; A169-F234 WeakPolarHBondContact CA-O 3.35Å; A169-E447 WeakPolarHBondContact CB-O 3.47Å
170C96.1Very high95.1Very high0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-78.2119.5-178-72.60000111.4Y77 C156 Y233 F234 L236Y77-C170 HydrophobicContact CD1-CB 4.06Å; Y77-C170 HydrophobicContact CE1-CB 3.76Å; C156-C170 HydrophobicContact CB-CB 3.73Å; C156-C170 WeakPolarHBondContact CB-SG 3.22Å; C156-C170 WeakPolarHBondContact SG-CA 3.4Å; C156-C170 WeakPolarHBondContact SG-CB 3.49Å; C156-C170 CovalentContact SG-SG 2.04Å; C156-C170 PolarHBondContact SG-SG 3.33Å; C170-Y233 WeakPolarHBondContact O-CA 3.35Å; C170-F234 PolarHBondContact N-O 3.38Å; C170-F234 PolarHBondContact O-N 2.69Å; C170-L236 HydrophobicContact CB-CD1 4.38Å
171P96.8Very high95.3Very high14 Ų1427.7 Ų27.79%0.09114%0.141CC..EExtended strand (participates in β ladder)trans-82.3150-177.332.9-34.3000111.9Y77 N120 A169 K173 T231 V232 Y233Y77-P171 VanDerWaalsContact OH-C 3.26Å; Y77-P171 PolarHBondContact OH-O 3.43Å; N120-P171 PolarHBondContact ND2-O 2.8Å; A169-P171 WeakPolarHBondContact O-CD 3.41Å; P171-K173 HydrophobicContact CB-CG 4.33Å; P171-T231 HydrophobicContact CB-CG2 4.17Å; P171-V232 CarbonylContact C-O 3.55Å; P171-V232 VanDerWaalsContact CA-O 3.3Å; P171-V232 WeakPolarHBondContact CA-O 3.38Å; P171-Y233 HydrophobicContact CB-CD1 4.13Å; P171-Y233 HydrophobicContact CB-CE1 3.97Å
172L97.3Very high95.4Very high1 Ų128.5 Ų28.51%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-125.7108.9162.3-179.864.1000107.5I62 M79 F118 I152 A154 T231 V232 F234I62-L172 HydrophobicContact CD1-CD2 4.32Å; M79-L172 HydrophobicContact CE-CB 4.15Å; M79-L172 HydrophobicContact CE-CD1 3.59Å; M79-L172 HydrophobicContact CE-CD2 3.65Å; M79-L172 HydrophobicContact CE-CG 3.98Å; M79-L172 HydrophobicContact SD-CD2 3.96Å; F118-L172 HydrophobicContact CD1-CD1 3.56Å; F118-L172 HydrophobicContact CD1-CD2 4.47Å; F118-L172 HydrophobicContact CD1-CG 4.07Å; F118-L172 HydrophobicContact CE1-CD1 4.07Å; F118-L172 HydrophobicContact CE1-CD2 4.16Å; F118-L172 HydrophobicContact CE1-CG 4.23Å; F118-L172 HydrophobicContact CG-CD1 4.42Å; I152-L172 HydrophobicContact CG2-CD1 4.08Å; A154-L172 HydrophobicContact CB-CD1 4.21Å; L172-T231 WeakPolarHBondContact O-CA 3.37Å; L172-V232 HydrophobicContact CB-CB 4.32Å; L172-V232 PolarHBondContact N-O 2.89Å; L172-V232 PolarHBondContact O-N 3.38Å; L172-F234 HydrophobicContact CB-CE2 4.1Å; L172-F234 HydrophobicContact CD2-CE2 4.38Å
173K97Very high95.6Very high62 Ų6230.5 Ų30.527%0.2716%0.158SC..EExtended strand (participates in β ladder)trans-108.3125.9-175-60.2-173.5-178.7-170.10109.9F118 R119 N120 P171 I229 M230 T231F118-K173 CarbonylContact C-O 3.38Å; F118-K173 WeakPolarHBondContact CA-O 3.34Å; R119-K173 HydrophobicContact CB-CB 4.12Å; R119-K173 PolarHBondContact N-O 2.89Å; N120-K173 PolarHBondContact OD1-N 2.88Å; P171-K173 HydrophobicContact CB-CG 4.33Å; K173-I229 HydrophobicContact CB-CG2 4.11Å; K173-M230 WeakPolarHBondContact CA-O 3.16Å; K173-T231 HydrophobicContact CG-CG2 3.86Å
174F97.6Very high95.7Very high0 Ų030.5 Ų30.50%016%0.158CC..EExtended strand (participates in β ladder)trans-138.2157.317564.5-87.3000112.2T60 I62 F83 T116 F117 F118 Y186 W188 I229 M230T60-F174 HydrophobicContact CG2-CE2 4.11Å; I62-F174 HydrophobicContact CD1-CE1 3.77Å; I62-F174 HydrophobicContact CD1-CZ 4.24Å; F83-F174 HydrophobicContact CE2-CD1 4.45Å; F83-F174 HydrophobicContact CE2-CD2 4.07Å; F83-F174 HydrophobicContact CE2-CE1 4.32Å; F83-F174 AromaticContact CE2-CE2 3.93Å; F83-F174 HydrophobicContact CE2-CE2 3.93Å; F83-F174 HydrophobicContact CE2-CG 4.32Å; F83-F174 HydrophobicContact CE2-CZ 4.05Å; F83-F174 AromaticContact CZ-CD2 3.81Å; F83-F174 HydrophobicContact CZ-CD2 3.81Å; F83-F174 AromaticContact CZ-CE2 3.82Å; F83-F174 HydrophobicContact CZ-CE2 3.82Å; F83-F174 HydrophobicContact CZ-CG 4.38Å; F83-F174 HydrophobicContact CZ-CZ 4.41Å; T116-F174 HydrophobicContact CG2-CB 4.29Å; T116-F174 HydrophobicContact CG2-CD2 3.9Å; F117-F174 VanDerWaalsContact O-CA 3.22Å; F117-F174 WeakPolarHBondContact O-CA 3.39Å; F117-F174 WeakPolarHBondContact O-CB 3.48Å; F118-F174 HydrophobicContact CD1-CB 3.75Å; F118-F174 HydrophobicContact CE1-CB 3.92Å; F118-F174 HydrophobicContact CE1-CD1 4.26Å; F118-F174 HydrophobicContact CE1-CG 4.29Å; F118-F174 HydrophobicContact CG-CB 4.49Å; F174-Y186 HydrophobicContact CE2-CD1 4.46Å; F174-W188 AromaticContact CE1-CH2 3.82Å; F174-W188 HydrophobicContact CE1-CH2 3.82Å; F174-W188 HydrophobicContact CE1-CZ3 4.4Å; F174-W188 AromaticContact CZ-CH2 3.7Å; F174-W188 HydrophobicContact CZ-CH2 3.7Å; F174-W188 AromaticContact CZ-CZ3 3.94Å; F174-W188 HydrophobicContact CZ-CZ3 3.94Å; F174-I229 WeakPolarHBondContact O-CA 3.25Å; F174-M230 HydrophobicContact CD1-CB 4.13Å; F174-M230 HydrophobicContact CD2-CB 3.96Å; F174-M230 HydrophobicContact CD2-CG 4.27Å; F174-M230 HydrophobicContact CE1-CB 3.65Å; F174-M230 HydrophobicContact CE2-CB 3.47Å; F174-M230 VanDerWaalsContact CE2-CB 3.47Å; F174-M230 HydrophobicContact CE2-CG 3.67Å; F174-M230 HydrophobicContact CG-CB 4.27Å; F174-M230 HydrophobicContact CZ-CB 3.31Å; F174-M230 HydrophobicContact CZ-CG 3.92Å; F174-M230 PolarHBondContact N-O 3.08Å; F174-M230 PolarHBondContact O-N 2.94Å
175G97Very high95.9Very high1 Ų133 Ų331%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-175.3-174.4177.900000111.4T116 F117T116-G175 WeakPolarHBondContact CA-O 3.37Å; F117-G175 VanDerWaalsContact CD1-O 3.32Å; F117-G175 WeakPolarHBondContact CD1-O 3.38Å; F117-G175 PolarHBondContact N-O 2.95Å; F117-G175 PolarHBondContact O-N 3.17Å
176S97.3Very high96.1Very high3 Ų332.8 Ų32.82%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-73142.8171.4175.60000110.4D115 F117 Y179D115-S176 VanDerWaalsContact CG-OG 3.29Å; D115-S176 WeakPolarHBondContact OD1-CB 3.31Å; D115-S176 PolarHBondContact OD1-OG 3.3Å; D115-S176 PolarHBondContact OD2-OG 2.88Å; F117-S176 WeakPolarHBondContact CE1-O 3.43Å; S176-Y179 WeakPolarHBondContact CB-O 3.41Å; S176-Y179 WeakPolarHBondContact OG-CB 3.42Å; S176-Y179 PolarHBondContact OG-N 3.02Å; S176-Y179 PolarHBondContact OG-O 2.85Å
177Y95.4Very high96.2Very high168 Ų16834.6 Ų34.666%0.65918%0.181SC*.SBendtrans-80.4-54.3176.6-175.7-99.1000112.1D115 F117D115-Y177 PolarHBondContact O-N 2.96Å; D115-Y177 PolarHBondContact OD2-N 3.28Å; F117-Y177 AromaticContact CD1-CD2 3.95Å; F117-Y177 HydrophobicContact CD1-CD2 3.95Å; F117-Y177 HydrophobicContact CD1-CG 4.29Å; F117-Y177 HydrophobicContact CD2-CD2 4.24Å; F117-Y177 VanDerWaalsContact CE1-CA 3.47Å; F117-Y177 AromaticContact CE1-CD2 3.86Å; F117-Y177 HydrophobicContact CE1-CD2 3.86Å; F117-Y177 HydrophobicContact CE1-CG 4.37Å; F117-Y177 HydrophobicContact CE2-CD2 4.13Å; F117-Y177 HydrophobicContact CG-CD2 4.14Å; F117-Y177 AromaticContact CZ-CD2 3.92Å; F117-Y177 HydrophobicContact CZ-CD2 3.92Å
178A95.4Very high96.4Very high56 Ų5636.1 Ų36.146%0.46319%0.187SC..SBendtrans-99.1-37.4-172.700000112.8D115 P180 Y227D115-A178 WeakPolarHBondContact OD2-CB 3.4Å; D115-A178 PolarHBondContact OD2-N 3.35Å; A178-P180 WeakPolarHBondContact O-CD 3.13Å; A178-Y227 PolarHBondContact O-OH 3.43Å
179Y96Very high96.5Very high50 Ų5040.1 Ų40.120%0.19620%0.204CC..  trans-84.5120.7-171.1-58-77.9000112.3W112 D115 S176 E183 I184 Y227W112-Y179 HydrophobicContact CZ2-CE2 4.13Å; W112-Y179 AromaticContact NE1-CZ 3.94Å; W112-Y179 PolarHBondContact NE1-OH 2.72Å; D115-Y179 WeakPolarHBondContact OD1-CD2 3.49Å; S176-Y179 WeakPolarHBondContact CB-O 3.41Å; S176-Y179 WeakPolarHBondContact OG-CB 3.42Å; S176-Y179 PolarHBondContact OG-N 3.02Å; S176-Y179 PolarHBondContact OG-O 2.85Å; Y179-E183 HydrophobicContact CD1-CB 4.3Å; Y179-E183 WeakPolarHBondContact CD1-OE2 3.5Å; Y179-I184 HydrophobicContact CD1-CD1 4.27Å; Y179-I184 HydrophobicContact CD2-CD1 3.28Å; Y179-I184 HydrophobicContact CD2-CG1 4.27Å; Y179-I184 HydrophobicContact CE2-CD1 3.96Å; Y179-I184 HydrophobicContact CG-CD1 3.45Å; Y179-I184 VanDerWaalsContact CG-CD1 3.45Å; Y179-I184 HydrophobicContact CG-CG1 3.94Å; Y179-Y227 VanDerWaalsContact O-CD1 3.27Å; Y179-Y227 WeakPolarHBondContact O-CD1 3.27Å; Y179-Y227 VanDerWaalsContact O-CE1 3.32Å; Y179-Y227 WeakPolarHBondContact O-CE1 3.17Å
180P96.4Very high96.4Very high22 Ų2244 Ų4414%0.14322%0.218CC..  trans-71.8171.9175.431.3-35.6000111.6A178 S182 E183 I184 E226A178-P180 WeakPolarHBondContact O-CD 3.13Å; P180-S182 WeakPolarHBondContact CG-OG 3.37Å; P180-S182 PolarHBondContact O-N 2.76Å; P180-S182 VanDerWaalsContact O-N 3.1Å; P180-E183 HydrophobicContact CG-CG 4.29Å; P180-E183 PolarHBondContact O-N 3.14Å; P180-I184 PolarHBondContact O-N 3.07Å; P180-E226 CarbonylContact C-O 3.5Å; P180-E226 WeakPolarHBondContact CA-O 3.04Å; P180-E226 WeakPolarHBondContact CB-O 3.46Å
181K96.3Very high96.2Very high88 Ų8845.2 Ų45.238%0.38323%0.23SC..THydrogen-bonded Turntrans-55.4-27.2178.1-179.2174.8-179176.80113.7E183 I185 T219 E226 V228K181-E183 PolarHBondContact O-N 3.09Å; K181-I185 HydrophobicContact CG-CG2 4.05Å; K181-T219 HydrophobicContact CD-CG2 3.91Å; K181-T219 PolarHBondContact NZ-OG1 3.44Å; K181-E226 WeakPolarHBondContact CB-O 3.36Å; K181-E226 PolarHBondContact N-O 3.42Å; K181-V228 HydrophobicContact CB-CG2 4.09Å; K181-V228 HydrophobicContact CD-CG2 3.94Å; K181-V228 HydrophobicContact CG-CG2 3.75Å
182S95.2Very high95.8Very high85 Ų8548.7 Ų48.759%0.59425%0.253SS*.THydrogen-bonded Turntrans-71.7-10.8174.655.40000113.7P180P180-S182 WeakPolarHBondContact CG-OG 3.37Å; P180-S182 PolarHBondContact O-N 2.76Å; P180-S182 VanDerWaalsContact O-N 3.1Å
183E96.1Very high95.2Very high55 Ų5555.1 Ų55.126%0.25729%0.287SS..THydrogen-bonded Turntrans-119-43.5-177.8-70.5-164.5-126.900112.8R48 V55 T56 Y179 P180 K181R48-E183 IonicContact NE-OE2 3.72Å; R48-E183 PolarHBondContact NE-OE2 2.95Å; R48-E183 VanDerWaalsContact NE-OE2 3.17Å; V55-E183 WeakPolarHBondContact CG1-O 3.27Å; T56-E183 PolarHBondContact N-O 3Å; Y179-E183 HydrophobicContact CD1-CB 4.3Å; Y179-E183 WeakPolarHBondContact CD1-OE2 3.5Å; P180-E183 HydrophobicContact CG-CG 4.29Å; P180-E183 PolarHBondContact O-N 3.14Å; K181-E183 PolarHBondContact O-N 3.09Å
184I96.4Very high95Very high2 Ų259.8 Ų59.81%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-133.7136.2178.9-60.8-174.7000110.5T56 V58 W112 Y179 P180 Y186T56-I184 WeakPolarHBondContact O-CA 3.34Å; V58-I184 HydrophobicContact CG2-CG2 3.91Å; W112-I184 HydrophobicContact CH2-CD1 3.79Å; W112-I184 HydrophobicContact CZ2-CD1 3.62Å; Y179-I184 HydrophobicContact CD1-CD1 4.27Å; Y179-I184 HydrophobicContact CD2-CD1 3.28Å; Y179-I184 HydrophobicContact CD2-CG1 4.27Å; Y179-I184 HydrophobicContact CE2-CD1 3.96Å; Y179-I184 HydrophobicContact CG-CD1 3.45Å; Y179-I184 VanDerWaalsContact CG-CD1 3.45Å; Y179-I184 HydrophobicContact CG-CG1 3.94Å; P180-I184 PolarHBondContact O-N 3.07Å; I184-Y186 HydrophobicContact CG2-CD2 4.23Å; I184-Y186 HydrophobicContact CG2-CE2 3.77Å
185I97Very high94.9Very high53 Ų5359.9 Ų59.927%0.27230%0.304SS..EExtended strand (participates in β ladder)trans-123.8140.517058.5173.7000110.3V55 T56 E57 V58 K181 V228V55-I185 HydrophobicContact CG1-CB 4.29Å; V55-I185 HydrophobicContact CG1-CD1 4.41Å; V55-I185 HydrophobicContact CG1-CG1 3.89Å; V55-I185 HydrophobicContact CG1-CG2 3.84Å; T56-I185 PolarHBondContact O-N 3.28Å; T56-I185 VanDerWaalsContact O-N 3.09Å; E57-I185 HydrophobicContact CB-CD1 4.39Å; E57-I185 HydrophobicContact CB-CG1 4.13Å; E57-I185 HydrophobicContact CG-CD1 4.27Å; E57-I185 HydrophobicContact CG-CG1 4.13Å; V58-I185 PolarHBondContact N-O 3.28Å; K181-I185 HydrophobicContact CG-CG2 4.05Å; I185-V228 HydrophobicContact CG2-CG2 4.16Å
186Y97.6Very high94.9Very high5 Ų560 Ų602%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-101.4138.3173.7-70.9-98.5000110V58 T60 T116 F174 I184 M230V58-Y186 HydrophobicContact CB-CD1 4.1Å; V58-Y186 HydrophobicContact CB-CE1 4.11Å; V58-Y186 HydrophobicContact CG1-CD1 4.09Å; V58-Y186 HydrophobicContact CG1-CE1 3.89Å; V58-Y186 WeakPolarHBondContact O-CA 3.18Å; T60-Y186 HydrophobicContact CG2-CD1 3.75Å; T60-Y186 HydrophobicContact CG2-CE1 4.29Å; T116-Y186 HydrophobicContact CG2-CE1 3.98Å; T116-Y186 WeakPolarHBondContact OG1-CE1 3.43Å; T116-Y186 PolarHBondContact OG1-OH 3.3Å; F174-Y186 HydrophobicContact CE2-CD1 4.46Å; I184-Y186 HydrophobicContact CG2-CD2 4.23Å; I184-Y186 HydrophobicContact CG2-CE2 3.77Å; Y186-M230 VanDerWaalsContact CB-CG 3.5Å; Y186-M230 HydrophobicContact CG-CG 4.29Å
187T96.9Very high94.7Very high40 Ų4063 Ų6325%0.24532%0.318CS..EExtended strand (participates in β ladder)trans-138.9150.4178.6580000111E57 V58 K59 T60 K189E57-T187 HydrophobicContact CG-CG2 4.19Å; E57-T187 WeakPolarHBondContact OE1-CG2 3.35Å; E57-T187 PolarHBondContact OE1-OG1 2.96Å; V58-T187 PolarHBondContact O-N 3.13Å; V58-T187 VanDerWaalsContact O-N 3.09Å; K59-T187 CarbonylContact C-O 3.41Å; K59-T187 VanDerWaalsContact CA-O 3.31Å; K59-T187 WeakPolarHBondContact CA-O 3.38Å; K59-T187 WeakPolarHBondContact CG-OG1 3.49Å; T60-T187 PolarHBondContact N-O 3.34Å; T60-T187 PolarHBondContact OG1-O 3.14Å; T187-K189 PolarHBondContact O-N 2.74Å
188W97.1Very high94.7Very high33 Ų3356.4 Ų56.413%0.12530%0.296CS..EExtended strand (participates in β ladder)trans-75.9116.1177.1-68.2118.6000110.7F174 K190 G191 S195 V196 V215 M230 V232F174-W188 AromaticContact CE1-CH2 3.82Å; F174-W188 HydrophobicContact CE1-CH2 3.82Å; F174-W188 HydrophobicContact CE1-CZ3 4.4Å; F174-W188 AromaticContact CZ-CH2 3.7Å; F174-W188 HydrophobicContact CZ-CH2 3.7Å; F174-W188 AromaticContact CZ-CZ3 3.94Å; F174-W188 HydrophobicContact CZ-CZ3 3.94Å; W188-K190 VanDerWaalsContact C-N 3.34Å; W188-K190 PolarHBondContact O-N 2.92Å; W188-G191 PolarHBondContact O-N 3.22Å; W188-S195 WeakPolarHBondContact CB-OG 3.34Å; W188-S195 VanDerWaalsContact CE3-CB 3.46Å; W188-V196 HydrophobicContact CH2-CG2 4.17Å; W188-V196 HydrophobicContact CZ3-CG2 4.01Å; W188-V215 HydrophobicContact CD2-CG2 4.42Å; W188-V215 HydrophobicContact CG-CG2 4.5Å; W188-V215 HydrophobicContact CH2-CB 4.44Å; W188-V215 HydrophobicContact CH2-CG1 4.3Å; W188-V215 HydrophobicContact CZ2-CB 3.65Å; W188-V215 HydrophobicContact CZ2-CG1 3.99Å; W188-V215 HydrophobicContact CZ2-CG2 4.3Å; W188-M230 HydrophobicContact CD2-CE 3.52Å; W188-M230 HydrophobicContact CE3-CE 4.18Å; W188-M230 HydrophobicContact CG-CE 3.67Å; W188-M230 HydrophobicContact CH2-CB 4.35Å; W188-M230 HydrophobicContact CZ2-CB 4.07Å; W188-M230 HydrophobicContact CZ2-CE 3.94Å; W188-V232 HydrophobicContact CH2-CG2 3.51Å; W188-V232 HydrophobicContact CZ2-CG2 4.09Å; W188-V232 HydrophobicContact CZ3-CG2 4.48Å
189K95.6Very high94.4Very high87 Ų8755.3 Ų55.338%0.37828%0.284SS..THydrogen-bonded Turntrans-56.2-41.4-174.6-173.9178.8-177.4166.80114.4K59 T60 D61 T86 T187 S195K59-K189 HydrophobicContact CB-CB 4.07Å; K59-K189 HydrophobicContact CB-CG 4.29Å; T60-K189 WeakPolarHBondContact O-CB 3.33Å; T60-K189 PolarHBondContact O-N 2.76Å; D61-K189 HydrophobicContact CB-CB 4.32Å; D61-K189 WeakPolarHBondContact OD1-CD 3.18Å; D61-K189 IonicContact OD1-NZ 3.38Å; T86-K189 PolarHBondContact OG1-NZ 2.71Å; T187-K189 PolarHBondContact O-N 2.74Å; K189-S195 PolarHBondContact N-OG 2.96Å; K189-S195 VanDerWaalsContact N-OG 3.11Å
190K93.6Very high93.9Very high98 Ų9861.7 Ų61.743%0.42632%0.315SS..THydrogen-bonded Turntrans-106.616.3-177.9-58.8-178.7-177.4-179.50112.1W188 Y194 S195 E197W188-K190 VanDerWaalsContact C-N 3.34Å; W188-K190 PolarHBondContact O-N 2.92Å; K190-Y194 WeakPolarHBondContact CD-O 3.43Å; K190-S195 PolarHBondContact N-OG 2.79Å; K190-E197 IonicContact NZ-OE1 2.77Å; K190-E197 PolarHBondContact NZ-OE1 2.87Å
191G92.1Very high93.3Very high26 Ų2669.5 Ų69.527%0.26835%0.35SS..  trans73.9-179.7-170.100000113W188 L193 S195W188-G191 PolarHBondContact O-N 3.22Å; G191-L193 PolarHBondContact O-N 2.63Å; G191-S195 VanDerWaalsContact O-CB 3.24Å; G191-S195 WeakPolarHBondContact O-CB 3.07Å; G191-S195 PolarHBondContact O-N 3.11Å; G191-S195 PolarHBondContact O-OG 3.31Å
192P87.9Confident92.7Very high87 Ų8766 Ų6657%0.56534%0.336SS*.THydrogen-bonded Turntrans-69.8-29.6-167.425.2-33.8000114.5V215P192-V215 HydrophobicContact CB-CG2 3.45Å; P192-V215 VanDerWaalsContact CB-CG2 3.45Å; P192-V215 WeakPolarHBondContact O-CG2 3.2Å
193L86.3Confident91.9Very high137 Ų13763.8 Ų63.872%0.71732%0.321SS*.THydrogen-bonded Turntrans-81-30.5-174.5-74.2154000113.7G191G191-L193 PolarHBondContact O-N 2.63Å
194Y92.6Very high91.1Very high160 Ų16065.9 Ų65.963%0.62734%0.342SS*.THydrogen-bonded Turntrans-119-3.7-168-57.7-69.3000114K190 V196K190-Y194 WeakPolarHBondContact CD-O 3.43Å; Y194-V196 VanDerWaalsContact C-N 3.28Å; Y194-V196 PolarHBondContact O-N 2.82Å
195S95.2Very high90.7Very high1 Ų166.5 Ų66.51%0.00735%0.345CS..SBendtrans-75.3-15179.9-99.90000114.2T60 D61 I62 W188 K189 K190 G191T60-S195 PolarHBondContact O-OG 3.25Å; D61-S195 CarbonylContact C-O 3.51Å; D61-S195 VanDerWaalsContact CA-O 3.32Å; D61-S195 WeakPolarHBondContact CA-O 3.24Å; I62-S195 PolarHBondContact N-O 2.7Å; W188-S195 WeakPolarHBondContact CB-OG 3.34Å; W188-S195 VanDerWaalsContact CE3-CB 3.46Å; K189-S195 PolarHBondContact N-OG 2.96Å; K189-S195 VanDerWaalsContact N-OG 3.11Å; K190-S195 PolarHBondContact N-OG 2.79Å; G191-S195 VanDerWaalsContact O-CB 3.24Å; G191-S195 WeakPolarHBondContact O-CB 3.07Å; G191-S195 PolarHBondContact O-N 3.11Å; G191-S195 PolarHBondContact O-OG 3.31Å
196V96.1Very high90.2Very high3 Ų371.8 Ų71.82%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-122111.7175.8-177.80000108.7I62 W188 Y194 Q213 V215 V232 F234I62-V196 HydrophobicContact CB-CG2 4.35Å; I62-V196 WeakPolarHBondContact O-CA 3.32Å; W188-V196 HydrophobicContact CH2-CG2 4.17Å; W188-V196 HydrophobicContact CZ3-CG2 4.01Å; Y194-V196 VanDerWaalsContact C-N 3.28Å; Y194-V196 PolarHBondContact O-N 2.82Å; V196-Q213 HydrophobicContact CB-CG 4.24Å; V196-Q213 HydrophobicContact CG1-CG 4.06Å; V196-Q213 PolarHBondContact O-NE2 3.32Å; V196-V215 HydrophobicContact CB-CG1 4.38Å; V196-V215 HydrophobicContact CG2-CG1 3.65Å; V196-V232 HydrophobicContact CG1-CG1 4.13Å; V196-V232 HydrophobicContact CG2-CG1 4.16Å; V196-V232 HydrophobicContact CG2-CG2 3.77Å; V196-F234 HydrophobicContact CG1-CE1 4.37Å
197E94.3Very high89.9Confident66 Ų6676.7 Ų76.731%0.30840%0.396SS..EExtended strand (participates in β ladder)trans-108.2126.8-178.3-69.3169.8-164.300109.6I62 Y63 V64 K190I62-E197 PolarHBondContact O-N 2.83Å; Y63-E197 HydrophobicContact CD2-CB 3.89Å; Y63-E197 WeakPolarHBondContact CD2-OE2 3.08Å; Y63-E197 HydrophobicContact CE2-CB 4.43Å; V64-E197 PolarHBondContact N-O 2.86Å; K190-E197 IonicContact NZ-OE1 2.77Å; K190-E197 PolarHBondContact NZ-OE1 2.87Å
198V93.8Very high89.7Confident31 Ų3174.9 Ų74.919%0.18839%0.385CS..  trans-125105.2173.1-167.90000107.9V64 L210 F234V64-V198 HydrophobicContact CB-CB 4.39Å; V64-V198 HydrophobicContact CB-CG1 4.14Å; V64-V198 HydrophobicContact CB-CG2 3.95Å; V64-V198 HydrophobicContact CG1-CG1 4.25Å; V64-V198 HydrophobicContact CG2-CG2 3.77Å; V198-L210 HydrophobicContact CB-CD2 4.32Å; V198-L210 HydrophobicContact CG1-CD2 3.66Å; V198-L210 HydrophobicContact CG2-CD2 4.41Å; V198-F234 HydrophobicContact CG2-CE1 4.26Å
199P91.1Very high89.5Confident33 Ų3376.9 Ų76.921%0.21440%0.398CS..  trans-62.7146.6172.5-18.830.7000111.2Y63 V64 E201 S202Y63-P199 HydrophobicContact CE1-CG 4.07Å; Y63-P199 HydrophobicContact CE2-CG 3.94Å; Y63-P199 VanDerWaalsContact CZ-CG 3.45Å; Y63-P199 WeakPolarHBondContact OH-CG 3.39Å; V64-P199 WeakPolarHBondContact O-CD 3.25Å; P199-E201 PolarHBondContact O-N 2.78Å; P199-S202 VanDerWaalsContact O-CB 3.27Å; P199-S202 WeakPolarHBondContact O-CB 3.37Å; P199-S202 PolarHBondContact O-N 2.87Å
200E84.4Confident89.4Confident183 Ų18374.1 Ų74.186%0.85539%0.387SS*.G310 helixtrans-60.3-35.4178.7-64.6-178.6177.900112.3S202 S203E200-S202 PolarHBondContact O-N 2.84Å; E200-S203 PolarHBondContact O-N 2.92Å; E200-S203 PolarHBondContact O-OG 2.88Å
201E84.6Confident89.3Confident186 Ų18674.9 Ų74.987%0.86940%0.395SS*.G310 helixtrans-65.6-23.3175.8-61.5-177178.500112.8P199 S203P199-E201 PolarHBondContact O-N 2.78Å; E201-S203 VanDerWaalsContact C-N 3.34Å
202S82.8Confident89.3Confident14 Ų1474.5 Ų74.510%0.09839%0.391CS..G310 helixtrans-82.6-10.5-178.5-62.70000113.1V64 T65 S66 F67 P199 E200V64-S202 PolarHBondContact O-OG 2.86Å; T65-S202 WeakPolarHBondContact O-CB 3.4Å; T65-S202 PolarHBondContact O-OG 3.36Å; S66-S202 WeakPolarHBondContact CA-O 3.5Å; F67-S202 PolarHBondContact N-O 2.89Å; P199-S202 VanDerWaalsContact O-CB 3.27Å; P199-S202 WeakPolarHBondContact O-CB 3.37Å; P199-S202 PolarHBondContact O-N 2.87Å; E200-S202 PolarHBondContact O-N 2.84Å
203S79.1Confident89.6Confident40 Ų4073.4 Ų73.428%0.2838%0.378SS..  trans-105.849.4-175.356.20000114E200 E201 L205E200-S203 PolarHBondContact O-N 2.92Å; E200-S203 PolarHBondContact O-OG 2.88Å; E201-S203 VanDerWaalsContact C-N 3.34Å; S203-L205 VanDerWaalsContact C-N 3.35Å; S203-L205 PolarHBondContact O-N 3.24Å; S203-L205 VanDerWaalsContact O-N 3.1Å
204S78.4Confident90Very high99 Ų9970.2 Ų70.269%0.69236%0.364SS*.  trans-86.564.718068.30000113.2
205L87.7Confident90.1Very high14 Ų1464 Ų647%0.07334%0.343CS..  trans-87.1134.3179.8-68.8168.6000112.6F67 G68 S203 Y208 L236 K239F67-L205 HydrophobicContact CB-CD1 4.5Å; F67-L205 HydrophobicContact CD1-CD1 3.7Å; F67-L205 HydrophobicContact CD1-CD2 3.82Å; F67-L205 HydrophobicContact CD1-CG 4.19Å; F67-L205 HydrophobicContact CE1-CD1 4.18Å; F67-L205 HydrophobicContact CG-CD1 4.24Å; G68-L205 WeakPolarHBondContact O-CD2 3.34Å; S203-L205 VanDerWaalsContact C-N 3.35Å; S203-L205 PolarHBondContact O-N 3.24Å; S203-L205 VanDerWaalsContact O-N 3.1Å; L205-Y208 WeakPolarHBondContact CB-O 3.38Å; L205-L236 HydrophobicContact CD1-CD2 3.92Å; L205-K239 PolarHBondContact O-NZ 2.86Å
206L87.8Confident90Very high165 Ų16565.4 Ų65.486%0.86435%0.353SS*.SBendtrans-80.4-39.9-177.6-63.9177.9000113.1
207Q90.7Very high89.9Confident107 Ų10768.5 Ų68.550%0.538%0.375SS..SBendtrans-101.6-19.6-174.9-63.4-174.113.600113.7K239Q207-K239 PolarHBondContact O-N 3.15Å
208Y93.4Very high89.9Confident3 Ų368.8 Ų68.81%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-128.4160.7-175.9-70.1-88.6000110.5V70 D72 H168 L205 L236 Q237 R238 K239V70-Y208 HydrophobicContact CB-CD2 3.92Å; V70-Y208 HydrophobicContact CB-CE2 3.83Å; V70-Y208 HydrophobicContact CG1-CD2 4.19Å; V70-Y208 HydrophobicContact CG1-CE2 3.69Å; V70-Y208 HydrophobicContact CG2-CD2 4.18Å; D72-Y208 PolarHBondContact OD1-OH 3.1Å; H168-Y208 AromaticContact CD2-CE1 4Å; L205-Y208 WeakPolarHBondContact CB-O 3.38Å; Y208-L236 HydrophobicContact CD1-CB 3.99Å; Y208-L236 HydrophobicContact CG-CB 4.46Å; Y208-Q237 CarbonylContact C-O 3.53Å; Y208-Q237 VanDerWaalsContact CA-O 3.25Å; Y208-Q237 WeakPolarHBondContact CA-O 3.28Å; Y208-R238 HydrophobicContact CD1-CB 4.06Å; Y208-R238 HydrophobicContact CE1-CB 3.88Å; Y208-R238 HydrophobicContact CE1-CG 4.28Å; Y208-R238 PolarHBondContact OH-NH1 3.28Å; Y208-R238 VanDerWaalsContact OH-NH1 3.15Å; Y208-R238 PolarHBondContact OH-NH2 2.87Å; Y208-K239 PolarHBondContact O-NZ 3.46Å
209D92.5Very high90Very high74 Ų7470.3 Ų70.340%0.39639%0.385SS..EExtended strand (participates in β ladder)trans-112133.8163-71.9-49000108.8I211 L236 Q237 K239D209-I211 HydrophobicContact CB-CD1 4.24Å; D209-I211 PolarHBondContact O-N 2.71Å; D209-L236 WeakPolarHBondContact O-CA 3.4Å; D209-Q237 PolarHBondContact N-O 2.96Å; D209-Q237 PolarHBondContact O-N 3Å; D209-K239 WeakPolarHBondContact OD1-CE 3.4Å; D209-K239 IonicContact OD1-NZ 3.7Å; D209-K239 PolarHBondContact OD1-NZ 2.53Å; D209-K239 WeakPolarHBondContact OD2-CE 2.98Å; D209-K239 WeakPolarHBondContact OD2-CG 3.48Å; D209-K239 IonicContact OD2-NZ 3.75Å
210L93.2Very high90.1Very high30 Ų3072 Ų7216%0.15739%0.392CS..EExtended strand (participates in β ladder)trans-82.6106.1170.9179.867.9000108.1F67 V198 F234 L236F67-L210 HydrophobicContact CD2-CD2 4.4Å; V198-L210 HydrophobicContact CB-CD2 4.32Å; V198-L210 HydrophobicContact CG1-CD2 3.66Å; V198-L210 HydrophobicContact CG2-CD2 4.41Å; L210-F234 HydrophobicContact CD1-CB 4.05Å; L210-F234 HydrophobicContact CD1-CD1 4.23Å; L210-L236 HydrophobicContact CB-CD2 4.29Å; L210-L236 HydrophobicContact CD1-CD2 3.73Å
211I91.9Very high90.6Very high114 Ų11471.1 Ų71.159%0.58539%0.385SS*.EExtended strand (participates in β ladder)trans-77.2-33-178.6-56.1-57.6000111.1D209 H235 Q237D209-I211 HydrophobicContact CB-CD1 4.24Å; D209-I211 PolarHBondContact O-N 2.71Å; I211-H235 HydrophobicContact CB-CB 4.28Å; I211-H235 PolarHBondContact N-O 3.21Å; I211-Q237 HydrophobicContact CD1-CB 3.83Å; I211-Q237 HydrophobicContact CG1-CB 3.68Å
212G92.1Very high90.9Very high17 Ų1764.9 Ų64.918%0.17536%0.362CS..EExtended strand (participates in β ladder)trans166.1-165.6177.900000112.9H235G212-H235 WeakPolarHBondContact O-CB 3.46Å; G212-H235 PolarHBondContact O-N 2.76Å
213Q93.3Very high91.4Very high65 Ų6572.6 Ų72.630%0.30440%0.402SS..EExtended strand (participates in β ladder)trans-141.6144.2-177.173.1-75.416.500111.2V196 V232 Y233 F234V196-Q213 HydrophobicContact CB-CG 4.24Å; V196-Q213 HydrophobicContact CG1-CG 4.06Å; V196-Q213 PolarHBondContact O-NE2 3.32Å; Q213-V232 HydrophobicContact CB-CG1 4.43Å; Q213-Y233 CarbonylContact C-O 3.25Å; Q213-Y233 WeakPolarHBondContact CA-O 2.73Å; Q213-F234 HydrophobicContact CB-CD1 4.14Å; Q213-F234 HydrophobicContact CB-CE1 4.39Å
214T94.6Very high92.1Very high70 Ų7075.8 Ų75.843%0.42942%0.42SS..EExtended strand (participates in β ladder)trans-126152.7170.550.60000109.6V232 Y233 H235T214-V232 CarbonylContact O-C 3.53Å; T214-V232 WeakPolarHBondContact O-CA 3.08Å; T214-Y233 PolarHBondContact N-O 3.44Å; T214-Y233 PolarHBondContact O-N 2.96Å; T214-Y233 WeakPolarHBondContact OG1-CB 3.35Å; T214-H235 VanDerWaalsContact CG2-NE2 3.33Å; T214-H235 WeakPolarHBondContact CG2-NE2 3.35Å; T214-H235 PolarHBondContact OG1-NE2 3.32Å
215V95.3Very high92.8Very high28 Ų2872.1 Ų72.117%0.1740%0.399CS..EExtended strand (participates in β ladder)trans-125.3144.4179.4-51.20000111W188 P192 V196 T231 V232W188-V215 HydrophobicContact CD2-CG2 4.42Å; W188-V215 HydrophobicContact CG-CG2 4.5Å; W188-V215 HydrophobicContact CH2-CB 4.44Å; W188-V215 HydrophobicContact CH2-CG1 4.3Å; W188-V215 HydrophobicContact CZ2-CB 3.65Å; W188-V215 HydrophobicContact CZ2-CG1 3.99Å; W188-V215 HydrophobicContact CZ2-CG2 4.3Å; P192-V215 HydrophobicContact CB-CG2 3.45Å; P192-V215 VanDerWaalsContact CB-CG2 3.45Å; P192-V215 WeakPolarHBondContact O-CG2 3.2Å; V196-V215 HydrophobicContact CB-CG1 4.38Å; V196-V215 HydrophobicContact CG2-CG1 3.65Å; V215-T231 CarbonylContact C-O 3.55Å; V215-T231 WeakPolarHBondContact CA-O 3.43Å; V215-V232 HydrophobicContact CG1-CG1 4.33Å; V215-V232 HydrophobicContact CG1-CG2 4.19Å
216S93.5Very high93.2Very high31 Ų3176 Ų7622%0.21742%0.416CS..EExtended strand (participates in β ladder)trans-133.4163172.9760000110.8E218 T231S216-E218 PolarHBondContact OG-OE1 3.04Å; S216-T231 PolarHBondContact N-O 2.79Å; S216-T231 PolarHBondContact O-N 3.48Å; S216-T231 WeakPolarHBondContact OG-CB 3.25Å
217S94.1Very high93.7Very high69 Ų6968.7 Ų68.748%0.48338%0.377SS..EExtended strand (participates in β ladder)trans-131.9126.9170.3179.40000107.5I229S217-I229 WeakPolarHBondContact CA-O 3.47Å
218E94.1Very high93.9Very high71 Ų7164.1 Ų64.133%0.33236%0.357SS..EExtended strand (participates in β ladder)trans-131.1149.1-174.2-71.6162.9-148.700109.5S216 I229S216-E218 PolarHBondContact OG-OE1 3.04Å; E218-I229 PolarHBondContact N-O 2.04Å; E218-I229 PolarHBondContact O-N 3.48Å
219T95.3Very high94.1Very high63 Ų6364.1 Ų64.139%0.38736%0.357SS..EExtended strand (participates in β ladder)trans-106.4122.1170.4-57.60000108.3K181 E226 Y227K181-T219 HydrophobicContact CD-CG2 3.91Å; K181-T219 PolarHBondContact NZ-OG1 3.44Å; T219-E226 HydrophobicContact CG2-CB 4.07Å; T219-Y227 WeakPolarHBondContact CA-O 3.26Å
220I93.1Very high94.3Very high68 Ų6860.6 Ų60.635%0.34934%0.338SS..EExtended strand (participates in β ladder)trans-111.9131.7177.1-63.2-169.5000109.6Y227 I229I220-Y227 PolarHBondContact N-O 2.98Å; I220-Y227 PolarHBondContact O-N 2.84Å; I220-I229 HydrophobicContact CB-CD1 3.74Å; I220-I229 HydrophobicContact CD1-CD1 3.37Å; I220-I229 HydrophobicContact CG1-CD1 3.58Å
221K94.7Very high94.5Very high165 Ų16559.2 Ų59.272%0.71733%0.33SS*.EExtended strand (participates in β ladder)trans-83.1125.5172.5-170.7170.6-178.6172.80110.1E226K221-E226 HydrophobicContact CB-CG 4.19Å; K221-E226 HydrophobicContact CG-CG 4.09Å
222S91.9Very high94.7Very high56 Ų5653.8 Ų53.839%0.39230%0.303SS..EExtended strand (participates in β ladder)trans-113.9172.1171.8-173.60000109.5T224 G225S222-T224 PolarHBondContact O-N 2.85Å; S222-G225 WeakPolarHBondContact CA-O 3.43Å; S222-G225 WeakPolarHBondContact CB-O 3.46Å; S222-G225 PolarHBondContact N-O 3.11Å; S222-G225 PolarHBondContact O-N 2.89Å
223N93Very high94.9Very high175 Ų17554.3 Ų54.394%0.93630%0.299SS*.THydrogen-bonded Turntrans-61.4-29.4175-64.9-12000112.4
224T93.1Very high95Very high107 Ų10751.2 Ų51.266%0.65629%0.285SS*.THydrogen-bonded Turntrans-89.5-11.8-177.853.90000114S222 Y227S222-T224 PolarHBondContact O-N 2.85Å; T224-Y227 WeakPolarHBondContact OG1-CE2 3.2Å; T224-Y227 PolarHBondContact OG1-OH 2.95Å
225G94.1Very high95Very high23 Ų2349.6 Ų49.624%0.23727%0.273CS..EExtended strand (participates in β ladder)trans148.7-176.8-175.800000113.2S222 Y227S222-G225 WeakPolarHBondContact CA-O 3.43Å; S222-G225 WeakPolarHBondContact CB-O 3.46Å; S222-G225 PolarHBondContact N-O 3.11Å; S222-G225 PolarHBondContact O-N 2.89Å; G225-Y227 WeakPolarHBondContact O-CD2 3.45Å; G225-Y227 WeakPolarHBondContact O-CE2 3.38Å
226E96.7Very high95Very high94 Ų9448.2 Ų48.244%0.43926%0.264SS..EExtended strand (participates in β ladder)trans-96132.3174.9-67.6-177.5-176.700110.4P180 K181 T219 K221P180-E226 CarbonylContact C-O 3.5Å; P180-E226 WeakPolarHBondContact CA-O 3.04Å; P180-E226 WeakPolarHBondContact CB-O 3.46Å; K181-E226 WeakPolarHBondContact CB-O 3.36Å; K181-E226 PolarHBondContact N-O 3.42Å; T219-E226 HydrophobicContact CG2-CB 4.07Å; K221-E226 HydrophobicContact CB-CG 4.19Å; K221-E226 HydrophobicContact CG-CG 4.09Å
227Y96.6Very high95Very high13 Ų1349.3 Ų49.35%0.05127%0.266CS..EExtended strand (participates in β ladder)trans-124.1139.5-175.7-65.6-95.7000110.8A178 Y179 T219 I220 T224 G225A178-Y227 PolarHBondContact O-OH 3.43Å; Y179-Y227 VanDerWaalsContact O-CD1 3.27Å; Y179-Y227 WeakPolarHBondContact O-CD1 3.27Å; Y179-Y227 VanDerWaalsContact O-CE1 3.32Å; Y179-Y227 WeakPolarHBondContact O-CE1 3.17Å; T219-Y227 WeakPolarHBondContact CA-O 3.26Å; I220-Y227 PolarHBondContact N-O 2.98Å; I220-Y227 PolarHBondContact O-N 2.84Å; T224-Y227 WeakPolarHBondContact OG1-CE2 3.2Å; T224-Y227 PolarHBondContact OG1-OH 2.95Å; G225-Y227 WeakPolarHBondContact O-CD2 3.45Å; G225-Y227 WeakPolarHBondContact O-CE2 3.38Å
228V96.1Very high95Very high11 Ų1146.3 Ų46.37%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-81.2129170.2-178.70000109K181 I185 M230K181-V228 HydrophobicContact CB-CG2 4.09Å; K181-V228 HydrophobicContact CD-CG2 3.94Å; K181-V228 HydrophobicContact CG-CG2 3.75Å; I185-V228 HydrophobicContact CG2-CG2 4.16Å; V228-M230 HydrophobicContact CG1-SD 4.21Å
229I96.9Very high94.9Very high2 Ų246.5 Ų46.51%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-120.1130.4177.4-60.9172.8000108.1R119 K173 F174 S217 E218 I220R119-I229 VanDerWaalsContact CZ-CD1 3.45Å; K173-I229 HydrophobicContact CB-CG2 4.11Å; F174-I229 WeakPolarHBondContact O-CA 3.25Å; S217-I229 WeakPolarHBondContact CA-O 3.47Å; E218-I229 PolarHBondContact N-O 2.04Å; E218-I229 PolarHBondContact O-N 3.48Å; I220-I229 HydrophobicContact CB-CD1 3.74Å; I220-I229 HydrophobicContact CD1-CD1 3.37Å; I220-I229 HydrophobicContact CG1-CD1 3.58Å
230M96.9Very high94.8Very high1 Ų145.3 Ų45.31%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-99129.7173.2-54.1-59.4-8100107.5K173 F174 Y186 W188 V228K173-M230 WeakPolarHBondContact CA-O 3.16Å; F174-M230 HydrophobicContact CD1-CB 4.13Å; F174-M230 HydrophobicContact CD2-CB 3.96Å; F174-M230 HydrophobicContact CD2-CG 4.27Å; F174-M230 HydrophobicContact CE1-CB 3.65Å; F174-M230 HydrophobicContact CE2-CB 3.47Å; F174-M230 VanDerWaalsContact CE2-CB 3.47Å; F174-M230 HydrophobicContact CE2-CG 3.67Å; F174-M230 HydrophobicContact CG-CB 4.27Å; F174-M230 HydrophobicContact CZ-CB 3.31Å; F174-M230 HydrophobicContact CZ-CG 3.92Å; F174-M230 PolarHBondContact N-O 3.08Å; F174-M230 PolarHBondContact O-N 2.94Å; Y186-M230 VanDerWaalsContact CB-CG 3.5Å; Y186-M230 HydrophobicContact CG-CG 4.29Å; W188-M230 HydrophobicContact CD2-CE 3.52Å; W188-M230 HydrophobicContact CE3-CE 4.18Å; W188-M230 HydrophobicContact CG-CE 3.67Å; W188-M230 HydrophobicContact CH2-CB 4.35Å; W188-M230 HydrophobicContact CZ2-CB 4.07Å; W188-M230 HydrophobicContact CZ2-CE 3.94Å; V228-M230 HydrophobicContact CG1-SD 4.21Å
231T96.9Very high94.7Very high0 Ų044.2 Ų44.20%024%0.24CC..EExtended strand (participates in β ladder)trans-122.2134179.5-52.40000109.7P171 L172 K173 V215 S216 Y233P171-T231 HydrophobicContact CB-CG2 4.17Å; L172-T231 WeakPolarHBondContact O-CA 3.37Å; K173-T231 HydrophobicContact CG-CG2 3.86Å; V215-T231 CarbonylContact C-O 3.55Å; V215-T231 WeakPolarHBondContact CA-O 3.43Å; S216-T231 PolarHBondContact N-O 2.79Å; S216-T231 PolarHBondContact O-N 3.48Å; S216-T231 WeakPolarHBondContact OG-CB 3.25Å; T231-Y233 HydrophobicContact CG2-CD2 3.86Å; T231-Y233 HydrophobicContact CG2-CE1 4.3Å; T231-Y233 HydrophobicContact CG2-CE2 3.4Å; T231-Y233 VanDerWaalsContact CG2-CE2 3.4Å; T231-Y233 HydrophobicContact CG2-CG 4.46Å
232V96.8Very high94.6Very high0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-112.4129.9165.9-174.40000107.6I62 P171 L172 W188 V196 Q213 T214 V215 F234I62-V232 HydrophobicContact CD1-CG2 4.21Å; P171-V232 CarbonylContact C-O 3.55Å; P171-V232 VanDerWaalsContact CA-O 3.3Å; P171-V232 WeakPolarHBondContact CA-O 3.38Å; L172-V232 HydrophobicContact CB-CB 4.32Å; L172-V232 PolarHBondContact N-O 2.89Å; L172-V232 PolarHBondContact O-N 3.38Å; W188-V232 HydrophobicContact CH2-CG2 3.51Å; W188-V232 HydrophobicContact CZ2-CG2 4.09Å; W188-V232 HydrophobicContact CZ3-CG2 4.48Å; V196-V232 HydrophobicContact CG1-CG1 4.13Å; V196-V232 HydrophobicContact CG2-CG1 4.16Å; V196-V232 HydrophobicContact CG2-CG2 3.77Å; Q213-V232 HydrophobicContact CB-CG1 4.43Å; T214-V232 CarbonylContact O-C 3.53Å; T214-V232 WeakPolarHBondContact O-CA 3.08Å; V215-V232 HydrophobicContact CG1-CG1 4.33Å; V215-V232 HydrophobicContact CG1-CG2 4.19Å; V232-F234 HydrophobicContact CB-CE2 4.26Å; V232-F234 HydrophobicContact CB-CZ 4.44Å; V232-F234 HydrophobicContact CG1-CD1 4.48Å; V232-F234 HydrophobicContact CG1-CD2 4.33Å; V232-F234 HydrophobicContact CG1-CE1 4.02Å; V232-F234 HydrophobicContact CG1-CE2 3.85Å; V232-F234 HydrophobicContact CG1-CZ 3.69Å
233Y96.1Very high94.7Very high28 Ų2840 Ų4011%0.1121%0.212CC..EExtended strand (participates in β ladder)trans-104.6120.6171.4-68.4-87.5000108.8A169 C170 P171 Q213 T214 T231A169-Y233 HydrophobicContact CB-CD1 4.09Å; C170-Y233 WeakPolarHBondContact O-CA 3.35Å; P171-Y233 HydrophobicContact CB-CD1 4.13Å; P171-Y233 HydrophobicContact CB-CE1 3.97Å; Q213-Y233 CarbonylContact C-O 3.25Å; Q213-Y233 WeakPolarHBondContact CA-O 2.73Å; T214-Y233 PolarHBondContact N-O 3.44Å; T214-Y233 PolarHBondContact O-N 2.96Å; T214-Y233 WeakPolarHBondContact OG1-CB 3.35Å; T231-Y233 HydrophobicContact CG2-CD2 3.86Å; T231-Y233 HydrophobicContact CG2-CE1 4.3Å; T231-Y233 HydrophobicContact CG2-CE2 3.4Å; T231-Y233 VanDerWaalsContact CG2-CE2 3.4Å; T231-Y233 HydrophobicContact CG2-CG 4.46Å
234F95.4Very high94.8Very high0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-94.4121.9172.1-63.6-77.8000109.5V64 F67 Y77 M79 A169 C170 L172 V196 V198 L210 Q213 V232V64-F234 HydrophobicContact CG2-CE1 4.15Å; V64-F234 HydrophobicContact CG2-CZ 4.19Å; F67-F234 HydrophobicContact CD2-CD1 4.49Å; F67-F234 HydrophobicContact CE2-CB 3.92Å; F67-F234 AromaticContact CE2-CD1 3.84Å; F67-F234 HydrophobicContact CE2-CD1 3.84Å; F67-F234 HydrophobicContact CE2-CD2 4.09Å; F67-F234 HydrophobicContact CE2-CE1 4.36Å; F67-F234 AromaticContact CE2-CG 3.68Å; F67-F234 HydrophobicContact CE2-CG 3.68Å; F67-F234 HydrophobicContact CZ-CB 4.18Å; F67-F234 HydrophobicContact CZ-CG 4.33Å; Y77-F234 HydrophobicContact CE2-CD2 4.09Å; Y77-F234 HydrophobicContact CE2-CE2 4.47Å; M79-F234 HydrophobicContact CE-CE2 4.14Å; M79-F234 HydrophobicContact SD-CE2 3.93Å; M79-F234 HydrophobicContact SD-CZ 4.15Å; A169-F234 CarbonylContact C-O 3.57Å; A169-F234 WeakPolarHBondContact CA-O 3.35Å; C170-F234 PolarHBondContact N-O 3.38Å; C170-F234 PolarHBondContact O-N 2.69Å; L172-F234 HydrophobicContact CB-CE2 4.1Å; L172-F234 HydrophobicContact CD2-CE2 4.38Å; V196-F234 HydrophobicContact CG1-CE1 4.37Å; V198-F234 HydrophobicContact CG2-CE1 4.26Å; L210-F234 HydrophobicContact CD1-CB 4.05Å; L210-F234 HydrophobicContact CD1-CD1 4.23Å; Q213-F234 HydrophobicContact CB-CD1 4.14Å; Q213-F234 HydrophobicContact CB-CE1 4.39Å; V232-F234 HydrophobicContact CB-CE2 4.26Å; V232-F234 HydrophobicContact CB-CZ 4.44Å; V232-F234 HydrophobicContact CG1-CD1 4.48Å; V232-F234 HydrophobicContact CG1-CD2 4.33Å; V232-F234 HydrophobicContact CG1-CE1 4.02Å; V232-F234 HydrophobicContact CG1-CE2 3.85Å; V232-F234 HydrophobicContact CG1-CZ 3.69Å
235H94.9Very high94.8Very high36 Ų3635.4 Ų35.417%0.16718%0.181CC..EExtended strand (participates in β ladder)trans-89.8106.8-176.6-67.4-52.5000110.1I211 G212 T214 M446I211-H235 HydrophobicContact CB-CB 4.28Å; I211-H235 PolarHBondContact N-O 3.21Å; G212-H235 WeakPolarHBondContact O-CB 3.46Å; G212-H235 PolarHBondContact O-N 2.76Å; T214-H235 VanDerWaalsContact CG2-NE2 3.33Å; T214-H235 WeakPolarHBondContact CG2-NE2 3.35Å; T214-H235 PolarHBondContact OG1-NE2 3.32Å; H235-M446 HydrophobicContact CB-CE 3.33Å; H235-M446 VanDerWaalsContact ND1-CE 3.34Å; H235-M446 WeakPolarHBondContact ND1-CE 3.41Å
236L94.6Very high94.7Very high0 Ų039.2 Ų39.20%019%0.193CC..EExtended strand (participates in β ladder)trans-110.8124.4-175.7-60.1177000110.3F67 V70 G167 H168 C170 L205 Y208 D209 L210F67-L236 HydrophobicContact CE1-CD1 4.23Å; F67-L236 HydrophobicContact CE1-CD2 4.14Å; F67-L236 HydrophobicContact CZ-CD1 4.19Å; F67-L236 HydrophobicContact CZ-CD2 4.06Å; V70-L236 HydrophobicContact CG2-CD1 3.89Å; G167-L236 CarbonylContact C-O 3.52Å; G167-L236 WeakPolarHBondContact CA-O 3.3Å; H168-L236 PolarHBondContact N-O 3.35Å; H168-L236 PolarHBondContact O-N 3.38Å; C170-L236 HydrophobicContact CB-CD1 4.38Å; L205-L236 HydrophobicContact CD1-CD2 3.92Å; Y208-L236 HydrophobicContact CD1-CB 3.99Å; Y208-L236 HydrophobicContact CG-CB 4.46Å; D209-L236 WeakPolarHBondContact O-CA 3.4Å; L210-L236 HydrophobicContact CB-CD2 4.29Å; L210-L236 HydrophobicContact CD1-CD2 3.73Å
237Q93.6Very high94.5Very high53 Ų5335.6 Ų35.625%0.24818%0.176CC..EExtended strand (participates in β ladder)trans-108.5130.9174.5-17465.13700110.1D166 Y208 D209 I211D166-Q237 PolarHBondContact O-NE2 3.4Å; Y208-Q237 CarbonylContact C-O 3.53Å; Y208-Q237 VanDerWaalsContact CA-O 3.25Å; Y208-Q237 WeakPolarHBondContact CA-O 3.28Å; D209-Q237 PolarHBondContact N-O 2.96Å; D209-Q237 PolarHBondContact O-N 3Å; I211-Q237 HydrophobicContact CD1-CB 3.83Å; I211-Q237 HydrophobicContact CG1-CB 3.68Å
238R94.1Very high94.5Very high7 Ų735 Ų353%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-73.9140.3-179.7-168.7-178.2-56.9-87.25.6112.4D72 F163 P164 D166 Y208 F243D72-R238 IonicContact OD1-NH1 3.74Å; D72-R238 IonicContact OD1-NH2 3.8Å; D72-R238 IonicContact OD2-CZ 2.95Å; D72-R238 IonicContact OD2-NH1 3.79Å; D72-R238 PolarHBondContact OD2-NH1 3.28Å; D72-R238 IonicContact OD2-NH2 2.85Å; D72-R238 PolarHBondContact OD2-NH2 3.4Å; F163-R238 VanDerWaalsContact CE2-CZ 3.46Å; P164-R238 WeakPolarHBondContact O-CD 3.44Å; D166-R238 PolarHBondContact O-N 2.85Å; D166-R238 WeakPolarHBondContact OD1-CD 3.39Å; D166-R238 IonicContact OD1-CZ 2.98Å; D166-R238 IonicContact OD1-NE 3.71Å; D166-R238 PolarHBondContact OD1-NE 2.88Å; D166-R238 IonicContact OD1-NH2 3.5Å; D166-R238 IonicContact OD2-CZ 3.34Å; D166-R238 IonicContact OD2-NE 3.3Å; D166-R238 PolarHBondContact OD2-NE 3.38Å; D166-R238 IonicContact OD2-NH2 2.81Å; D166-R238 PolarHBondContact OD2-NH2 2.87Å; Y208-R238 HydrophobicContact CD1-CB 4.06Å; Y208-R238 HydrophobicContact CE1-CB 3.88Å; Y208-R238 HydrophobicContact CE1-CG 4.28Å; Y208-R238 PolarHBondContact OH-NH1 3.28Å; Y208-R238 VanDerWaalsContact OH-NH1 3.15Å; Y208-R238 PolarHBondContact OH-NH2 2.87Å; R238-F243 HydrophobicContact CG-CE2 4.3Å
239K93.3Very high94.5Very high75 Ų7537.8 Ų37.833%0.32619%0.191SC..  trans-78.2122.6170.8-69.6177.2178.3165.70111.3L205 Q207 Y208 D209L205-K239 PolarHBondContact O-NZ 2.86Å; Q207-K239 PolarHBondContact O-N 3.15Å; Y208-K239 PolarHBondContact O-NZ 3.46Å; D209-K239 WeakPolarHBondContact OD1-CE 3.4Å; D209-K239 IonicContact OD1-NZ 3.7Å; D209-K239 PolarHBondContact OD1-NZ 2.53Å; D209-K239 WeakPolarHBondContact OD2-CE 2.98Å; D209-K239 WeakPolarHBondContact OD2-CG 3.48Å; D209-K239 IonicContact OD2-NZ 3.75Å
240M92Very high94.4Very high37 Ų3739.5 Ų39.518%0.18220%0.202CC..  trans-79.8-20.3-177-73-67.8-73.900115P164 M165 Y242 F243 M244 W437P164-M240 HydrophobicContact CB-SD 3.91Å; P164-M240 HydrophobicContact CG-CE 3.98Å; P164-M240 HydrophobicContact CG-SD 3.7Å; M165-M240 HydrophobicContact CB-SD 4.3Å; M165-M240 HydrophobicContact CE-CE 3.94Å; M165-M240 HydrophobicContact CG-CE 3.16Å; M165-M240 HydrophobicContact CG-CG 4.37Å; M165-M240 HydrophobicContact CG-SD 3.39Å; M165-M240 WeakPolarHBondContact CG-SD 3.28Å; M165-M240 HydrophobicContact SD-CE 3.68Å; M240-Y242 PolarHBondContact O-N 2.58Å; M240-F243 PolarHBondContact O-N 2.88Å; M240-M244 HydrophobicContact CE-CE 4.02Å; M240-M244 WeakPolarHBondContact O-CG 3.47Å; M240-M244 PolarHBondContact O-N 2.96Å; M240-W437 HydrophobicContact CE-CZ3 4.06Å
241G92.1Very high94.4Very high45 Ų4539.5 Ų39.546%0.46420%0.202SC..Hα-helixtrans-58.1-40.8-167.600000114.7M244 I245G241-M244 PolarHBondContact O-N 2.95Å; G241-I245 WeakPolarHBondContact O-CG1 3.31Å; G241-I245 PolarHBondContact O-N 2.9Å
242Y92.5Very high94.4Very high116 Ų11641.4 Ų41.446%0.45521%0.212SC..Hα-helixtrans-61.7-48.5177.9172.1-96.8000112.2M240 M244 I245 Q246M240-Y242 PolarHBondContact O-N 2.58Å; Y242-M244 VanDerWaalsContact C-N 3.33Å; Y242-M244 PolarHBondContact O-N 3.3Å; Y242-I245 PolarHBondContact O-N 2.77Å; Y242-Q246 HydrophobicContact CD2-CG 4.17Å; Y242-Q246 HydrophobicContact CE2-CG 3.9Å; Y242-Q246 VanDerWaalsContact CE2-OE1 3.28Å; Y242-Q246 WeakPolarHBondContact O-CB 3.48Å; Y242-Q246 PolarHBondContact O-N 3.19Å; Y242-Q246 PolarHBondContact OH-OE1 2.82Å
243F93.3Very high94.3Very high16 Ų1646.1 Ų46.17%0.0724%0.235CC..Hα-helixtrans-68.2-33.5-178.4-60.3-75.1000112.2F163 P164 R238 M240 I247 Y248F163-F243 HydrophobicContact CE1-CD1 4.29Å; F163-F243 AromaticContact CE1-CE1 3.93Å; F163-F243 HydrophobicContact CE1-CE1 3.93Å; F163-F243 HydrophobicContact CE1-CZ 4.38Å; F163-F243 HydrophobicContact CE2-CE1 4.25Å; F163-F243 AromaticContact CE2-CZ 3.9Å; F163-F243 HydrophobicContact CE2-CZ 3.9Å; F163-F243 HydrophobicContact CZ-CD1 4.08Å; F163-F243 AromaticContact CZ-CE1 3.32Å; F163-F243 HydrophobicContact CZ-CE1 3.32Å; F163-F243 HydrophobicContact CZ-CE2 4.28Å; F163-F243 AromaticContact CZ-CZ 3.43Å; F163-F243 HydrophobicContact CZ-CZ 3.43Å; F163-F243 VanDerWaalsContact CZ-CZ 3.43Å; P164-F243 HydrophobicContact CB-CB 4.24Å; P164-F243 HydrophobicContact CB-CD1 4.25Å; P164-F243 HydrophobicContact CB-CD2 3.48Å; P164-F243 VanDerWaalsContact CB-CD2 3.48Å; P164-F243 HydrophobicContact CB-CE2 3.87Å; P164-F243 HydrophobicContact CB-CG 3.7Å; P164-F243 HydrophobicContact CB-CZ 4.39Å; P164-F243 HydrophobicContact CG-CB 3.83Å; P164-F243 HydrophobicContact CG-CD1 4.45Å; P164-F243 HydrophobicContact CG-CD2 4.04Å; P164-F243 HydrophobicContact CG-CG 3.83Å; R238-F243 HydrophobicContact CG-CE2 4.3Å; M240-F243 PolarHBondContact O-N 2.88Å; F243-I247 HydrophobicContact CD1-CD1 3.77Å; F243-I247 HydrophobicContact CE1-CD1 4.46Å; F243-I247 WeakPolarHBondContact O-CA 3.48Å; F243-I247 WeakPolarHBondContact O-CB 3.39Å; F243-I247 PolarHBondContact O-N 3.3Å; F243-Y248 HydrophobicContact CB-CD2 4.4Å; F243-Y248 HydrophobicContact CB-CE2 4.27Å; F243-Y248 WeakPolarHBondContact O-CD2 3.34Å; F243-Y248 PolarHBondContact O-N 2.89Å
244M94.1Very high94.3Very high60 Ų6045.3 Ų45.330%0.29623%0.233SC..Iπ-helixtrans-59.3-46.3174.3-74.4-65.5-16900112.1M240 G241 Y242 Y248 T249 W437M240-M244 HydrophobicContact CE-CE 4.02Å; M240-M244 WeakPolarHBondContact O-CG 3.47Å; M240-M244 PolarHBondContact O-N 2.96Å; G241-M244 PolarHBondContact O-N 2.95Å; Y242-M244 VanDerWaalsContact C-N 3.33Å; Y242-M244 PolarHBondContact O-N 3.3Å; M244-Y248 HydrophobicContact SD-CD2 4.07Å; M244-Y248 HydrophobicContact SD-CG 4.31Å; M244-T249 WeakPolarHBondContact O-CB 3.27Å; M244-T249 PolarHBondContact O-N 3.47Å; M244-T249 PolarHBondContact O-OG1 3.05Å; M244-W437 HydrophobicContact CE-CE3 4.06Å; M244-W437 HydrophobicContact CE-CH2 3.17Å; M244-W437 HydrophobicContact CE-CZ2 3.94Å; M244-W437 HydrophobicContact CE-CZ3 3.24Å; M244-W437 HydrophobicContact SD-CH2 3.49Å; M244-W437 WeakPolarHBondContact SD-CH2 3.45Å; M244-W437 HydrophobicContact SD-CZ2 3.96Å; M244-W437 HydrophobicContact SD-CZ3 4.2Å
245I94.1Very high94.4Very high126 Ų12645.3 Ų45.365%0.64623%0.233SC*.Iπ-helixtrans-78-42.6-176.7-62.6169.4000111.2G241 Y242 P250G241-I245 WeakPolarHBondContact O-CG1 3.31Å; G241-I245 PolarHBondContact O-N 2.9Å; Y242-I245 PolarHBondContact O-N 2.77Å; I245-P250 VanDerWaalsContact O-CD 3.27Å; I245-P250 WeakPolarHBondContact O-CD 3.08Å
246Q91.4Very high94.4Very high104 Ų10447.1 Ų47.149%0.48624%0.243SC..Iπ-helixtrans-88-26.1-172.1-64.9-151.20.700114.9Y242 P250Y242-Q246 HydrophobicContact CD2-CG 4.17Å; Y242-Q246 HydrophobicContact CE2-CG 3.9Å; Y242-Q246 VanDerWaalsContact CE2-OE1 3.28Å; Y242-Q246 WeakPolarHBondContact O-CB 3.48Å; Y242-Q246 PolarHBondContact O-N 3.19Å; Y242-Q246 PolarHBondContact OH-OE1 2.82Å; Q246-P250 WeakPolarHBondContact O-CG 3.48Å
247I93.4Very high94.3Very high17 Ų1751.4 Ų51.49%0.08727%0.266CS..Iπ-helixtrans-119.2-60.8-172.6-53.5-173.7000111F243 P250 C251 A290 M303 I307F243-I247 HydrophobicContact CD1-CD1 3.77Å; F243-I247 HydrophobicContact CE1-CD1 4.46Å; F243-I247 WeakPolarHBondContact O-CA 3.48Å; F243-I247 WeakPolarHBondContact O-CB 3.39Å; F243-I247 PolarHBondContact O-N 3.3Å; I247-P250 WeakPolarHBondContact O-CD 3.31Å; I247-C251 WeakPolarHBondContact O-CB 3.17Å; I247-C251 PolarHBondContact O-N 2.81Å; I247-C251 PolarHBondContact O-SG 2.92Å; I247-A290 HydrophobicContact CD1-CB 3.92Å; I247-A290 HydrophobicContact CG2-CB 4.5Å; I247-M303 HydrophobicContact CD1-SD 3.46Å; I247-M303 WeakPolarHBondContact CD1-SD 3.48Å; I247-M303 HydrophobicContact CG2-CG 4.35Å; I247-M303 HydrophobicContact CG2-SD 4.12Å; I247-I307 HydrophobicContact CG2-CD1 4.17Å
248Y95.4Very high94.4Very high2 Ų249 Ų491%0.00826%0.255CS..Iπ-helixtrans-65-46.5-173.7-70.7-80.2000112.3P164 M165 F243 M244 C251 I252 F306 Y436 W437P164-Y248 WeakPolarHBondContact CD-OH 3.1Å; P164-Y248 HydrophobicContact CG-CE2 4Å; M165-Y248 WeakPolarHBondContact CE-OH 3.4Å; F243-Y248 HydrophobicContact CB-CD2 4.4Å; F243-Y248 HydrophobicContact CB-CE2 4.27Å; F243-Y248 WeakPolarHBondContact O-CD2 3.34Å; F243-Y248 PolarHBondContact O-N 2.89Å; M244-Y248 HydrophobicContact SD-CD2 4.07Å; M244-Y248 HydrophobicContact SD-CG 4.31Å; Y248-C251 PolarHBondContact O-N 3.3Å; Y248-I252 WeakPolarHBondContact O-CB 3.09Å; Y248-I252 VanDerWaalsContact O-CG1 3.3Å; Y248-I252 WeakPolarHBondContact O-CG1 3.14Å; Y248-I252 PolarHBondContact O-N 3.05Å; Y248-F306 AromaticContact CD1-CD1 3.58Å; Y248-F306 HydrophobicContact CD1-CD1 3.58Å; Y248-F306 HydrophobicContact CD1-CD2 4.15Å; Y248-F306 AromaticContact CD1-CE1 3.5Å; Y248-F306 HydrophobicContact CD1-CE1 3.5Å; Y248-F306 HydrophobicContact CD1-CE2 4.06Å; Y248-F306 AromaticContact CD1-CG 3.92Å; Y248-F306 HydrophobicContact CD1-CG 3.92Å; Y248-F306 AromaticContact CD1-CZ 3.76Å; Y248-F306 HydrophobicContact CD1-CZ 3.76Å; Y248-F306 HydrophobicContact CE1-CB 4.06Å; Y248-F306 AromaticContact CE1-CD1 3.67Å; Y248-F306 HydrophobicContact CE1-CD1 3.67Å; Y248-F306 AromaticContact CE1-CD2 3.9Å; Y248-F306 HydrophobicContact CE1-CD2 3.9Å; Y248-F306 HydrophobicContact CE1-CE1 4.06Å; Y248-F306 HydrophobicContact CE1-CE2 4.26Å; Y248-F306 AromaticContact CE1-CG 3.59Å; Y248-F306 HydrophobicContact CE1-CG 3.59Å; Y248-F306 HydrophobicContact CE1-CZ 4.34Å; Y248-Y436 AromaticContact CE1-CE1 3.71Å; Y248-Y436 HydrophobicContact CE1-CE1 3.71Å; Y248-Y436 PolarHBondContact OH-OH 2.72Å; Y248-W437 AromaticContact CD1-CH2 3.6Å; Y248-W437 HydrophobicContact CD1-CH2 3.6Å; Y248-W437 AromaticContact CD1-CZ2 3.51Å; Y248-W437 HydrophobicContact CD1-CZ2 3.51Å; Y248-W437 AromaticContact CD2-CH2 3.89Å; Y248-W437 HydrophobicContact CD2-CH2 3.89Å; Y248-W437 HydrophobicContact CD2-CZ2 4.45Å; Y248-W437 AromaticContact CE1-CH2 3.61Å; Y248-W437 HydrophobicContact CE1-CH2 3.61Å; Y248-W437 AromaticContact CE1-CZ2 3.85Å; Y248-W437 HydrophobicContact CE1-CZ2 3.85Å; Y248-W437 AromaticContact CE2-CH2 3.9Å; Y248-W437 HydrophobicContact CE2-CH2 3.9Å; Y248-W437 AromaticContact CG-CH2 3.75Å; Y248-W437 HydrophobicContact CG-CH2 3.75Å; Y248-W437 AromaticContact CG-CZ2 3.85Å; Y248-W437 HydrophobicContact CG-CZ2 3.85Å; Y248-W437 AromaticContact CZ-CH2 3.76Å
249T95.8Very high94.4Very high68 Ų6849.7 Ų49.742%0.41726%0.258SS..Hα-helixtrans-61-51-179.8-59.70000111.9M244 C251 I252 M253M244-T249 WeakPolarHBondContact O-CB 3.27Å; M244-T249 PolarHBondContact O-N 3.47Å; M244-T249 PolarHBondContact O-OG1 3.05Å; T249-C251 VanDerWaalsContact C-N 3.35Å; T249-C251 PolarHBondContact O-N 3.42Å; T249-I252 PolarHBondContact O-N 2.84Å; T249-M253 HydrophobicContact CG2-CG 4.38Å; T249-M253 WeakPolarHBondContact O-CB 3.32Å; T249-M253 VanDerWaalsContact O-CG 3.24Å; T249-M253 WeakPolarHBondContact O-CG 3.31Å; T249-M253 PolarHBondContact O-N 3.41Å
250P96.1Very high94.3Very high39 Ų3949.1 Ų49.125%0.25326%0.261SS..Hα-helixtrans-61.5-36.8175.4-27.838.1000114.1I245 Q246 I247 M253 T254 L286I245-P250 VanDerWaalsContact O-CD 3.27Å; I245-P250 WeakPolarHBondContact O-CD 3.08Å; Q246-P250 WeakPolarHBondContact O-CG 3.48Å; I247-P250 WeakPolarHBondContact O-CD 3.31Å; P250-M253 PolarHBondContact O-N 3.38Å; P250-T254 WeakPolarHBondContact O-CB 3.24Å; P250-T254 PolarHBondContact O-N 2.74Å; P250-T254 PolarHBondContact O-OG1 3.49Å; P250-L286 HydrophobicContact CB-CD1 3.93Å; P250-L286 HydrophobicContact CB-CD2 4.09Å
251C96.3Very high94.2Very high0 Ų047.7 Ų47.70%025%0.254CS..Hα-helixtrans-63.8-48.2176.2-710000111.4I247 Y248 T249 M253 T254 V255 M283 F306I247-C251 WeakPolarHBondContact O-CB 3.17Å; I247-C251 PolarHBondContact O-N 2.81Å; I247-C251 PolarHBondContact O-SG 2.92Å; Y248-C251 PolarHBondContact O-N 3.3Å; T249-C251 VanDerWaalsContact C-N 3.35Å; T249-C251 PolarHBondContact O-N 3.42Å; C251-M253 VanDerWaalsContact C-N 3.34Å; C251-M253 PolarHBondContact O-N 3.34Å; C251-T254 PolarHBondContact O-N 3.12Å; C251-V255 WeakPolarHBondContact O-CG2 3.47Å; C251-V255 PolarHBondContact O-N 2.77Å; C251-M283 HydrophobicContact CB-CE 4.44Å; C251-F306 HydrophobicContact CB-CE1 3.96Å
252I96.8Very high94.2Very high40 Ų4045.6 Ų45.621%0.20523%0.232CC..Hα-helixtrans-59.5-45.8176.6-69.9166.2000110.4Y248 T249 T254 V255 I256 F306 F429Y248-I252 WeakPolarHBondContact O-CB 3.09Å; Y248-I252 VanDerWaalsContact O-CG1 3.3Å; Y248-I252 WeakPolarHBondContact O-CG1 3.14Å; Y248-I252 PolarHBondContact O-N 3.05Å; T249-I252 PolarHBondContact O-N 2.84Å; I252-T254 VanDerWaalsContact C-N 3.34Å; I252-T254 PolarHBondContact O-N 3.34Å; I252-V255 PolarHBondContact O-N 2.96Å; I252-I256 HydrophobicContact CG2-CD1 3.82Å; I252-I256 WeakPolarHBondContact O-CG1 3.42Å; I252-I256 PolarHBondContact O-N 3.44Å; I252-F306 HydrophobicContact CD1-CZ 4.3Å; I252-F306 HydrophobicContact CG1-CZ 3.97Å; I252-F429 HydrophobicContact CG1-CE1 4.3Å; I252-F429 HydrophobicContact CG1-CZ 4.12Å; I252-F429 HydrophobicContact CG2-CE1 4.23Å
253M95.6Very high94Very high100 Ų10048 Ų4849%0.49324%0.241SC..Hα-helixtrans-63.4-38.7177.9-68.1-6215200112.2T249 P250 C251 I256 L257T249-M253 HydrophobicContact CG2-CG 4.38Å; T249-M253 WeakPolarHBondContact O-CB 3.32Å; T249-M253 VanDerWaalsContact O-CG 3.24Å; T249-M253 WeakPolarHBondContact O-CG 3.31Å; T249-M253 PolarHBondContact O-N 3.41Å; P250-M253 PolarHBondContact O-N 3.38Å; C251-M253 VanDerWaalsContact C-N 3.34Å; C251-M253 PolarHBondContact O-N 3.34Å; M253-I256 PolarHBondContact O-N 2.71Å; M253-I256 HydrophobicContact SD-CD1 4.41Å; M253-L257 WeakPolarHBondContact O-CB 3.38Å; M253-L257 VanDerWaalsContact O-CG 3.25Å; M253-L257 WeakPolarHBondContact O-CG 3.28Å; M253-L257 PolarHBondContact O-N 3.18Å
254T95.9Very high93.9Very high10 Ų1048.9 Ų48.96%0.06125%0.246CC..Hα-helixtrans-65.2-40.7176.7-57.10000111.4P250 C251 I252 L257 S258 T282 M283 V314P250-T254 WeakPolarHBondContact O-CB 3.24Å; P250-T254 PolarHBondContact O-N 2.74Å; P250-T254 PolarHBondContact O-OG1 3.49Å; C251-T254 PolarHBondContact O-N 3.12Å; I252-T254 VanDerWaalsContact C-N 3.34Å; I252-T254 PolarHBondContact O-N 3.34Å; T254-L257 PolarHBondContact O-N 2.93Å; T254-S258 PolarHBondContact O-N 2.96Å; T254-T282 HydrophobicContact CG2-CG2 4.18Å; T254-M283 HydrophobicContact CG2-CB 4.43Å; T254-V314 HydrophobicContact CG2-CG2 4.42Å
255V96.8Very high93.5Very high0 Ų051.6 Ų51.60%026%0.262CS..Hα-helixtrans-64.1-46174.5174.30000110.6C251 I252 L257 S258 Q259 C310 F313 V314 F429C251-V255 WeakPolarHBondContact O-CG2 3.47Å; C251-V255 PolarHBondContact O-N 2.77Å; I252-V255 PolarHBondContact O-N 2.96Å; V255-L257 VanDerWaalsContact C-N 3.34Å; V255-L257 PolarHBondContact O-N 3.45Å; V255-S258 PolarHBondContact O-N 3.14Å; V255-S258 VanDerWaalsContact O-N 3.16Å; V255-S258 PolarHBondContact O-OG 3.44Å; V255-Q259 WeakPolarHBondContact O-CG 3.34Å; V255-Q259 PolarHBondContact O-N 2.79Å; V255-C310 HydrophobicContact CG2-CB 3.73Å; V255-F313 HydrophobicContact CG1-CB 4.15Å; V255-V314 HydrophobicContact CG2-CG2 4.04Å; V255-F429 HydrophobicContact CB-CE1 4.09Å; V255-F429 HydrophobicContact CB-CE2 4.29Å; V255-F429 HydrophobicContact CB-CZ 3.93Å; V255-F429 HydrophobicContact CG1-CD1 3.88Å; V255-F429 HydrophobicContact CG1-CD2 3.93Å; V255-F429 HydrophobicContact CG1-CE1 3.88Å; V255-F429 HydrophobicContact CG1-CE2 3.95Å; V255-F429 HydrophobicContact CG1-CG 3.9Å; V255-F429 HydrophobicContact CG1-CZ 3.92Å; V255-F429 HydrophobicContact CG2-CE2 4.06Å; V255-F429 HydrophobicContact CG2-CZ 3.98Å
256I95.3Very high93Very high74 Ų7447.1 Ų47.138%0.37924%0.238SC..Hα-helixtrans-59.4-45176-67167.1000110.7I252 M253 S258 Q259 V260I252-I256 HydrophobicContact CG2-CD1 3.82Å; I252-I256 WeakPolarHBondContact O-CG1 3.42Å; I252-I256 PolarHBondContact O-N 3.44Å; M253-I256 PolarHBondContact O-N 2.71Å; M253-I256 HydrophobicContact SD-CD1 4.41Å; I256-S258 VanDerWaalsContact C-N 3.29Å; I256-S258 PolarHBondContact O-N 3.29Å; I256-Q259 WeakPolarHBondContact O-CB 3.26Å; I256-Q259 PolarHBondContact O-N 3.07Å; I256-V260 PolarHBondContact O-N 3.31Å
257L93.4Very high92.5Very high91 Ų9149.3 Ų49.348%0.47625%0.248SC..Hα-helixtrans-59.5-37.9176.6-76172.8000112.4M253 T254 V255 Q259 V260 T279M253-L257 WeakPolarHBondContact O-CB 3.38Å; M253-L257 VanDerWaalsContact O-CG 3.25Å; M253-L257 WeakPolarHBondContact O-CG 3.28Å; M253-L257 PolarHBondContact O-N 3.18Å; T254-L257 PolarHBondContact O-N 2.93Å; V255-L257 VanDerWaalsContact C-N 3.34Å; V255-L257 PolarHBondContact O-N 3.45Å; L257-Q259 VanDerWaalsContact C-N 3.26Å; L257-Q259 PolarHBondContact O-N 3.46Å; L257-V260 WeakPolarHBondContact O-CB 3.46Å; L257-V260 PolarHBondContact O-N 3.26Å; L257-T279 HydrophobicContact CB-CG2 4.26Å
258S95Very high92.3Very high2 Ų250.9 Ų50.91%0.01426%0.26CS..Hα-helixtrans-63.6-33.1175.377.60000112.5T254 V255 I256 S261T254-S258 PolarHBondContact O-N 2.96Å; V255-S258 PolarHBondContact O-N 3.14Å; V255-S258 VanDerWaalsContact O-N 3.16Å; V255-S258 PolarHBondContact O-OG 3.44Å; I256-S258 VanDerWaalsContact C-N 3.29Å; I256-S258 PolarHBondContact O-N 3.29Å; S258-S261 WeakPolarHBondContact O-CB 3.33Å; S258-S261 PolarHBondContact O-N 2.96Å; S258-S261 PolarHBondContact O-OG 2.7Å
259Q92.9Very high92Very high21 Ų2153 Ų5310%0.09827%0.273CS..Hα-helixtrans-76.1-21.5179.6-62.317111.800113.1V255 I256 L257 S261 F262 F425V255-Q259 WeakPolarHBondContact O-CG 3.34Å; V255-Q259 PolarHBondContact O-N 2.79Å; I256-Q259 WeakPolarHBondContact O-CB 3.26Å; I256-Q259 PolarHBondContact O-N 3.07Å; L257-Q259 VanDerWaalsContact C-N 3.26Å; L257-Q259 PolarHBondContact O-N 3.46Å; Q259-S261 PolarHBondContact O-N 3.19Å; Q259-F262 HydrophobicContact CB-CD2 4.15Å; Q259-F262 HydrophobicContact CB-CE2 4.04Å; Q259-F262 HydrophobicContact CG-CE2 4.04Å; Q259-F262 VanDerWaalsContact O-CD2 3.25Å; Q259-F262 WeakPolarHBondContact O-CD2 3.49Å; Q259-F262 PolarHBondContact O-N 2.94Å; Q259-F425 HydrophobicContact CG-CB 4.29Å
260V91.8Very high91.9Very high64 Ų6454.3 Ų54.339%0.38828%0.283SS..Hα-helixtrans-59.6-28.3172.1177.70000111I256 L257 F262 W263I256-V260 PolarHBondContact O-N 3.31Å; L257-V260 WeakPolarHBondContact O-CB 3.46Å; L257-V260 PolarHBondContact O-N 3.26Å; V260-F262 PolarHBondContact O-N 3.26Å; V260-F262 VanDerWaalsContact O-N 3.15Å; V260-W263 WeakPolarHBondContact O-CB 3.4Å; V260-W263 PolarHBondContact O-N 3.13Å
261S90.2Very high91.6Very high6 Ų654.3 Ų54.34%0.04229%0.286CS..G310 helixtrans-59-27178.373.40000114S258 Q259 W263 I264 R272S258-S261 WeakPolarHBondContact O-CB 3.33Å; S258-S261 PolarHBondContact O-N 2.96Å; S258-S261 PolarHBondContact O-OG 2.7Å; Q259-S261 PolarHBondContact O-N 3.19Å; S261-W263 PolarHBondContact O-N 3.09Å; S261-I264 PolarHBondContact O-N 3.3Å; S261-R272 PolarHBondContact O-NE 3.41Å
262F91.3Very high91.4Very high1 Ų154.4 Ų54.40%0.00429%0.286CS..G310 helixtrans-70.5-17.7177.5-52.4-38.9000113.5Q259 V260 A317 E320 R422 F425Q259-F262 HydrophobicContact CB-CD2 4.15Å; Q259-F262 HydrophobicContact CB-CE2 4.04Å; Q259-F262 HydrophobicContact CG-CE2 4.04Å; Q259-F262 VanDerWaalsContact O-CD2 3.25Å; Q259-F262 WeakPolarHBondContact O-CD2 3.49Å; Q259-F262 PolarHBondContact O-N 2.94Å; V260-F262 PolarHBondContact O-N 3.26Å; V260-F262 VanDerWaalsContact O-N 3.15Å; F262-A317 HydrophobicContact CE1-CB 4.02Å; F262-A317 HydrophobicContact CZ-CB 3.77Å; F262-E320 WeakPolarHBondContact CD1-OE2 3.49Å; F262-E320 HydrophobicContact CE1-CB 4.17Å; F262-E320 HydrophobicContact CE1-CG 3.98Å; F262-E320 WeakPolarHBondContact CE1-OE2 3.39Å; F262-R422 HydrophobicContact CB-CG 3.86Å; F262-R422 PolarHBondContact O-NE 2.88Å; F262-R422 PolarHBondContact O-NH2 2.95Å; F262-F425 HydrophobicContact CE2-CB 3.82Å; F262-F425 HydrophobicContact CE2-CD1 4.03Å; F262-F425 AromaticContact CE2-CD2 3.99Å; F262-F425 HydrophobicContact CE2-CD2 3.99Å; F262-F425 AromaticContact CE2-CG 3.7Å; F262-F425 HydrophobicContact CE2-CG 3.7Å; F262-F425 HydrophobicContact CZ-CB 4.47Å; F262-F425 AromaticContact CZ-CD1 3.85Å; F262-F425 HydrophobicContact CZ-CD1 3.85Å; F262-F425 AromaticContact CZ-CD2 3.98Å; F262-F425 HydrophobicContact CZ-CD2 3.98Å; F262-F425 AromaticContact CZ-CE1 3.97Å; F262-F425 HydrophobicContact CZ-CE1 3.97Å; F262-F425 HydrophobicContact CZ-CE2 4.09Å; F262-F425 AromaticContact CZ-CG 3.86Å; F262-F425 HydrophobicContact CZ-CG 3.86Å; F262-F425 HydrophobicContact CZ-CZ 4.09Å
263W90Very high91.1Very high167 Ų16754.7 Ų54.763%0.63329%0.29SS*.G310 helixtrans-91.1-15.7177.9-65.588.6000112.5V260 S261 R422V260-W263 WeakPolarHBondContact O-CB 3.4Å; V260-W263 PolarHBondContact O-N 3.13Å; S261-W263 PolarHBondContact O-N 3.09Å; W263-R422 HydrophobicContact CD2-CG 4.44Å; W263-R422 HydrophobicContact CZ2-CB 4.44Å; W263-R422 HydrophobicContact CZ2-CG 4.21Å
264I89.4Confident91Very high34 Ų3454.2 Ų54.217%0.17429%0.293CS..SBendtrans-74.6138.2178.3-59.7177.4000109.5S261 K266 A271 R272 F275S261-I264 PolarHBondContact O-N 3.3Å; I264-K266 PolarHBondContact O-N 2.71Å; I264-A271 HydrophobicContact CG2-CB 4.31Å; I264-R272 HydrophobicContact CB-CG 3.93Å; I264-R272 HydrophobicContact CG2-CG 3.84Å; I264-F275 HydrophobicContact CD1-CD2 3.77Å; I264-F275 HydrophobicContact CD1-CE2 3.97Å; I264-F275 HydrophobicContact CD1-CG 4.47Å
265N86.9Confident90.7Very high118 Ų11858 Ų5863%0.63131%0.308SS*.  trans-52.7131.2176.3-70.9-24.6000110.9E267 S268N265-E267 PolarHBondContact O-N 3.35Å; N265-E267 VanDerWaalsContact O-N 3.08Å; N265-S268 WeakPolarHBondContact O-CB 3.43Å; N265-S268 PolarHBondContact O-N 3.09Å
266K82.4Confident90.5Very high32 Ų3258.3 Ų58.314%0.13931%0.312CS..THydrogen-bonded Turntrans-58.2-22.9178.967.2-175.4-178.1-171.90113.7I264 S268 V324 T328 V411 G413I264-K266 PolarHBondContact O-N 2.71Å; K266-S268 VanDerWaalsContact C-N 3.31Å; K266-V324 HydrophobicContact CB-CG1 4.26Å; K266-T328 HydrophobicContact CD-CG2 4.27Å; K266-V411 WeakPolarHBondContact CE-O 3.44Å; K266-V411 PolarHBondContact NZ-O 2.95Å; K266-G413 WeakPolarHBondContact CE-O 3.4Å; K266-G413 PolarHBondContact NZ-O 2.69Å
267E82.3Confident90.4Very high149 Ų14959.5 Ų59.570%0.69632%0.318SS*.THydrogen-bonded Turntrans-74-23.8177.2-61.6178.8-179.100112.2N265 V269N265-E267 PolarHBondContact O-N 3.35Å; N265-E267 VanDerWaalsContact O-N 3.08Å; E267-V269 PolarHBondContact O-N 3.1Å
268S88.8Confident90.5Very high51 Ų5158.6 Ų58.636%0.35732%0.317SS..  trans-85.656.4178.9-53.70000111.8N265 K266 P270 A271 R272N265-S268 WeakPolarHBondContact O-CB 3.43Å; N265-S268 PolarHBondContact O-N 3.09Å; K266-S268 VanDerWaalsContact C-N 3.31Å; S268-P270 VanDerWaalsContact C-CD 3.42Å; S268-P270 VanDerWaalsContact C-N 3.35Å; S268-A271 PolarHBondContact O-N 3.43Å; S268-A271 VanDerWaalsContact O-N 3.1Å; S268-R272 PolarHBondContact O-N 2.98Å
269V89.5Confident90.5Very high45 Ų4558.9 Ų58.927%0.27332%0.318SS..Hα-helixtrans-50.5-43.8179.8178.30000113.2E267 A271 R272 T273 F321E267-V269 PolarHBondContact O-N 3.1Å; V269-A271 VanDerWaalsContact C-N 3.34Å; V269-A271 PolarHBondContact O-N 2.91Å; V269-R272 PolarHBondContact O-N 3.4Å; V269-T273 WeakPolarHBondContact O-CB 3.47Å; V269-T273 PolarHBondContact O-N 3.19Å; V269-T273 PolarHBondContact O-OG1 3.48Å; V269-F321 HydrophobicContact CG1-CE2 4.39Å; V269-F321 HydrophobicContact CG1-CZ 3.89Å
270P92.2Very high90.7Very high97 Ų9759.1 Ų59.163%0.6332%0.321SS*.Hα-helixtrans-61.6-40.2179-23.835.2000112.9S268 T273 V274S268-P270 VanDerWaalsContact C-CD 3.42Å; S268-P270 VanDerWaalsContact C-N 3.35Å; P270-T273 PolarHBondContact O-N 3.06Å; P270-V274 VanDerWaalsContact O-CG2 3.31Å; P270-V274 WeakPolarHBondContact O-CG2 3.5Å; P270-V274 PolarHBondContact O-N 3.02Å; P270-V274 VanDerWaalsContact O-N 3.09Å
271A90.8Very high90.8Very high38 Ų3861.3 Ų61.331%0.31433%0.33SS..Hα-helixtrans-64.4-50.7179.300000111I264 S268 V269 T273 V274 F275I264-A271 HydrophobicContact CG2-CB 4.31Å; S268-A271 PolarHBondContact O-N 3.43Å; S268-A271 VanDerWaalsContact O-N 3.1Å; V269-A271 VanDerWaalsContact C-N 3.34Å; V269-A271 PolarHBondContact O-N 2.91Å; A271-T273 VanDerWaalsContact C-N 3.31Å; A271-T273 PolarHBondContact O-N 3.41Å; A271-V274 PolarHBondContact O-N 2.94Å; A271-F275 VanDerWaalsContact O-CD2 3.31Å; A271-F275 WeakPolarHBondContact O-CD2 3.36Å; A271-F275 PolarHBondContact O-N 3.49Å
272R91.6Very high91.1Very high2 Ų263.7 Ų63.71%0.00835%0.345CS..Hα-helixtrans-61.3-38.7179.4-69.9-17772163.4-2.1112.4S261 I264 S268 V269 G276 E320 F321 D418S261-R272 PolarHBondContact O-NE 3.41Å; I264-R272 HydrophobicContact CB-CG 3.93Å; I264-R272 HydrophobicContact CG2-CG 3.84Å; S268-R272 PolarHBondContact O-N 2.98Å; V269-R272 PolarHBondContact O-N 3.4Å; R272-G276 PolarHBondContact O-N 3.06Å; R272-E320 IonicContact NH2-OE2 3.33Å; R272-E320 PolarHBondContact NH2-OE2 3.24Å; R272-F321 HydrophobicContact CB-CD2 3.52Å; R272-F321 HydrophobicContact CB-CE2 3.45Å; R272-F321 VanDerWaalsContact CB-CE2 3.45Å; R272-F321 HydrophobicContact CB-CG 4.11Å; R272-F321 HydrophobicContact CB-CZ 4Å; R272-F321 HydrophobicContact CG-CD2 4.24Å; R272-F321 HydrophobicContact CG-CE2 4.33Å; R272-D418 IonicContact CZ-OD1 2.87Å; R272-D418 IonicContact NH1-OD1 3.33Å; R272-D418 PolarHBondContact NH1-OD1 2.94Å; R272-D418 IonicContact NH1-OD2 2.82Å; R272-D418 PolarHBondContact NH1-OD2 2.82Å; R272-D418 IonicContact NH2-OD1 2.92Å; R272-D418 PolarHBondContact NH2-OD1 2.78Å
273T91.8Very high91.3Very high47 Ų4763.7 Ų63.729%0.28834%0.344SS..Hα-helixtrans-63-47177.8-53.10000111.5V269 P270 A271 G276 I277 F321V269-T273 WeakPolarHBondContact O-CB 3.47Å; V269-T273 PolarHBondContact O-N 3.19Å; V269-T273 PolarHBondContact O-OG1 3.48Å; P270-T273 PolarHBondContact O-N 3.06Å; A271-T273 VanDerWaalsContact C-N 3.31Å; A271-T273 PolarHBondContact O-N 3.41Å; T273-G276 PolarHBondContact O-N 3.37Å; T273-I277 HydrophobicContact CG2-CD1 3.76Å; T273-I277 HydrophobicContact CG2-CG1 4.48Å; T273-I277 WeakPolarHBondContact O-CG1 3.45Å; T273-I277 PolarHBondContact O-N 3.49Å; T273-F321 VanDerWaalsContact OG1-CE1 3.3Å; T273-F321 WeakPolarHBondContact OG1-CE1 3.25Å; T273-F321 WeakPolarHBondContact OG1-CZ 3.39Å
274V92.9Very high91.5Very high90 Ų9058.2 Ų58.255%0.54533%0.33SS..Hα-helixtrans-63.7-47.7179.31730000110.6P270 A271 G276 I277 T278P270-V274 VanDerWaalsContact O-CG2 3.31Å; P270-V274 WeakPolarHBondContact O-CG2 3.5Å; P270-V274 PolarHBondContact O-N 3.02Å; P270-V274 VanDerWaalsContact O-N 3.09Å; A271-V274 PolarHBondContact O-N 2.94Å; V274-G276 VanDerWaalsContact C-N 3.33Å; V274-G276 PolarHBondContact O-N 3.3Å; V274-I277 PolarHBondContact O-N 3.38Å; V274-T278 VanDerWaalsContact O-CB 3.3Å; V274-T278 WeakPolarHBondContact O-CB 3.47Å; V274-T278 PolarHBondContact O-N 3.4Å; V274-T278 PolarHBondContact O-OG1 3.48Å
275F90.1Very high91.7Very high88 Ų8860.5 Ų60.539%0.38635%0.345SS..Hα-helixtrans-57.8-43.7176.7-89.1-79.5000112.6I264 A271 T279I264-F275 HydrophobicContact CD1-CD2 3.77Å; I264-F275 HydrophobicContact CD1-CE2 3.97Å; I264-F275 HydrophobicContact CD1-CG 4.47Å; A271-F275 VanDerWaalsContact O-CD2 3.31Å; A271-F275 WeakPolarHBondContact O-CD2 3.36Å; A271-F275 PolarHBondContact O-N 3.49Å; F275-T279 WeakPolarHBondContact O-CB 3.17Å; F275-T279 VanDerWaalsContact O-CG2 3.27Å; F275-T279 WeakPolarHBondContact O-CG2 3.48Å; F275-T279 PolarHBondContact O-N 2.89Å; F275-T279 PolarHBondContact O-OG1 3.4Å
276G92Very high92Very high8 Ų856.8 Ų56.88%0.08233%0.325CS..Hα-helixtrans-64.8-45.8178.500000113.1R272 T273 V274 T279 V280R272-G276 PolarHBondContact O-N 3.06Å; T273-G276 PolarHBondContact O-N 3.37Å; V274-G276 VanDerWaalsContact C-N 3.33Å; V274-G276 PolarHBondContact O-N 3.3Å; G276-T279 PolarHBondContact O-OG1 3.22Å; G276-V280 WeakPolarHBondContact O-CG2 3.48Å; G276-V280 PolarHBondContact O-N 2.94Å
277I94Very high92.4Very high98 Ų9856.4 Ų56.450%0.50333%0.327SS..Hα-helixtrans-67.8-44.8179.1-66.2171.1000110.9T273 V274 T279 V280 L281T273-I277 HydrophobicContact CG2-CD1 3.76Å; T273-I277 HydrophobicContact CG2-CG1 4.48Å; T273-I277 WeakPolarHBondContact O-CG1 3.45Å; T273-I277 PolarHBondContact O-N 3.49Å; V274-I277 PolarHBondContact O-N 3.38Å; I277-T279 PolarHBondContact O-N 2.97Å; I277-V280 PolarHBondContact O-N 3.35Å; I277-L281 WeakPolarHBondContact O-CB 3.46Å; I277-L281 PolarHBondContact O-N 2.94Å
278T95.3Very high92.9Very high72 Ų7253.7 Ų53.744%0.44232%0.316SS..Hα-helixtrans-61.8-43.3-179.9-61.10000111.2V274 L281 T282V274-T278 VanDerWaalsContact O-CB 3.3Å; V274-T278 WeakPolarHBondContact O-CB 3.47Å; V274-T278 PolarHBondContact O-N 3.4Å; V274-T278 PolarHBondContact O-OG1 3.48Å; T278-L281 PolarHBondContact O-N 3.31Å; T278-T282 WeakPolarHBondContact O-CB 3.36Å; T278-T282 PolarHBondContact O-N 3.06Å; T278-T282 PolarHBondContact O-OG1 3.05Å
279T95.1Very high93Very high9 Ų954.7 Ų54.76%0.05532%0.323CS..Hα-helixtrans-65.7-40.3179.149.40000112.7L257 F275 G276 I277 T282 M283 V314L257-T279 HydrophobicContact CB-CG2 4.26Å; F275-T279 WeakPolarHBondContact O-CB 3.17Å; F275-T279 VanDerWaalsContact O-CG2 3.27Å; F275-T279 WeakPolarHBondContact O-CG2 3.48Å; F275-T279 PolarHBondContact O-N 2.89Å; F275-T279 PolarHBondContact O-OG1 3.4Å; G276-T279 PolarHBondContact O-OG1 3.22Å; I277-T279 PolarHBondContact O-N 2.97Å; T279-T282 PolarHBondContact O-N 2.85Å; T279-M283 WeakPolarHBondContact O-CB 3.38Å; T279-M283 PolarHBondContact O-N 2.75Å; T279-V314 WeakPolarHBondContact OG1-CG1 3.18Å
280V95.6Very high92.9Very high26 Ų2652.8 Ų52.816%0.15831%0.312CS..Hα-helixtrans-63.8-43.6174173.70000111.3G276 I277 M283 T284 F311 V314 F315 L318G276-V280 WeakPolarHBondContact O-CG2 3.48Å; G276-V280 PolarHBondContact O-N 2.94Å; I277-V280 PolarHBondContact O-N 3.35Å; V280-M283 PolarHBondContact O-N 2.95Å; V280-T284 PolarHBondContact O-N 3.36Å; V280-T284 PolarHBondContact O-OG1 3.14Å; V280-F311 HydrophobicContact CG1-CE2 4.16Å; V280-F311 HydrophobicContact CG1-CZ 4.28Å; V280-V314 HydrophobicContact CB-CG1 4.44Å; V280-V314 HydrophobicContact CG2-CG1 3.72Å; V280-F315 HydrophobicContact CG2-CD2 4.48Å; V280-L318 HydrophobicContact CG2-CD2 4.31Å
281L95.6Very high92.6Very high109 Ų10955.4 Ų55.457%0.57131%0.309SS*.Hα-helixtrans-62.9-46.7177.4179.262.2000111.1I277 T278 M283 T284 T285I277-L281 WeakPolarHBondContact O-CB 3.46Å; I277-L281 PolarHBondContact O-N 2.94Å; T278-L281 PolarHBondContact O-N 3.31Å; L281-M283 VanDerWaalsContact C-N 3.31Å; L281-M283 PolarHBondContact O-N 2.67Å; L281-T284 WeakPolarHBondContact O-CB 3.49Å; L281-T284 PolarHBondContact O-N 2.85Å; L281-T285 PolarHBondContact O-N 2.99Å; L281-T285 PolarHBondContact O-OG1 2.93Å; L281-T285 VanDerWaalsContact O-OG1 3.04Å
282T95.7Very high92.3Very high57 Ų5760.8 Ų60.835%0.3533%0.328SS..Hα-helixtrans-58.3-44.6176.1-61.90000111.2T254 T278 T279 T284 T285 L286T254-T282 HydrophobicContact CG2-CG2 4.18Å; T278-T282 WeakPolarHBondContact O-CB 3.36Å; T278-T282 PolarHBondContact O-N 3.06Å; T278-T282 PolarHBondContact O-OG1 3.05Å; T279-T282 PolarHBondContact O-N 2.85Å; T282-T284 VanDerWaalsContact C-N 3.34Å; T282-T284 PolarHBondContact O-N 3.34Å; T282-T285 PolarHBondContact O-N 3.48Å; T282-L286 HydrophobicContact CG2-CD1 4.2Å; T282-L286 HydrophobicContact CG2-CG 4.5Å; T282-L286 WeakPolarHBondContact O-CG 3.21Å; T282-L286 PolarHBondContact O-N 2.83Å
283M94.6Very high91.7Very high0 Ų063.4 Ų63.40%035%0.347CS..Hα-helixtrans-64.4-38.8178.4-165.566-16200112.3C251 T254 T279 V280 L281 L286 S287 I307 C310 F311C251-M283 HydrophobicContact CB-CE 4.44Å; T254-M283 HydrophobicContact CG2-CB 4.43Å; T279-M283 WeakPolarHBondContact O-CB 3.38Å; T279-M283 PolarHBondContact O-N 2.75Å; V280-M283 PolarHBondContact O-N 2.95Å; L281-M283 VanDerWaalsContact C-N 3.31Å; L281-M283 PolarHBondContact O-N 2.67Å; M283-L286 PolarHBondContact O-N 2.98Å; M283-S287 WeakPolarHBondContact O-CB 3.41Å; M283-S287 PolarHBondContact O-N 3.36Å; M283-I307 HydrophobicContact CE-CB 4.22Å; M283-I307 HydrophobicContact CE-CG2 3.75Å; M283-I307 WeakPolarHBondContact CE-O 3.33Å; M283-C310 HydrophobicContact CE-CB 3.3Å; M283-C310 HydrophobicContact SD-CB 4.1Å; M283-F311 HydrophobicContact CB-CD2 4.09Å; M283-F311 HydrophobicContact CE-CB 4.48Å; M283-F311 HydrophobicContact CG-CB 4.02Å; M283-F311 HydrophobicContact CG-CD2 3.73Å; M283-F311 HydrophobicContact CG-CG 4.36Å
284T94.9Very high91.4Very high53 Ų5362.1 Ų62.133%0.32534%0.338SS..Hα-helixtrans-62.6-45.7174.6-53.30000110.9V280 L281 T282 S287 I288V280-T284 PolarHBondContact O-N 3.36Å; V280-T284 PolarHBondContact O-OG1 3.14Å; L281-T284 WeakPolarHBondContact O-CB 3.49Å; L281-T284 PolarHBondContact O-N 2.85Å; T282-T284 VanDerWaalsContact C-N 3.34Å; T282-T284 PolarHBondContact O-N 3.34Å; T284-S287 PolarHBondContact O-N 3.4Å; T284-I288 HydrophobicContact CG2-CD1 4.07Å; T284-I288 WeakPolarHBondContact O-CG1 3.3Å; T284-I288 PolarHBondContact O-N 3.08Å
285T94.4Very high91.3Very high82 Ų8258.5 Ų58.550%0.50332%0.316SS..Hα-helixtrans-63.2-43.5177.8-57.10000112L281 T282 S287 I288 S289L281-T285 PolarHBondContact O-N 2.99Å; L281-T285 PolarHBondContact O-OG1 2.93Å; L281-T285 VanDerWaalsContact O-OG1 3.04Å; T282-T285 PolarHBondContact O-N 3.48Å; T285-S287 PolarHBondContact O-N 2.92Å; T285-I288 PolarHBondContact O-N 3.2Å; T285-S289 WeakPolarHBondContact O-CB 3.22Å; T285-S289 PolarHBondContact O-N 2.93Å
286L92.6Very high91.2Very high39 Ų3964.8 Ų64.820%0.20434%0.343CS..Hα-helixtrans-62.1-42176-73.6174.3000111.7P250 T282 M283 S289 A290P250-L286 HydrophobicContact CB-CD1 3.93Å; P250-L286 HydrophobicContact CB-CD2 4.09Å; T282-L286 HydrophobicContact CG2-CD1 4.2Å; T282-L286 HydrophobicContact CG2-CG 4.5Å; T282-L286 WeakPolarHBondContact O-CG 3.21Å; T282-L286 PolarHBondContact O-N 2.83Å; M283-L286 PolarHBondContact O-N 2.98Å; L286-S289 PolarHBondContact O-N 3.41Å; L286-A290 WeakPolarHBondContact O-CB 3.37Å; L286-A290 PolarHBondContact O-N 3.09Å
287S91.7Very high91.1Very high25 Ų2566.5 Ų66.518%0.17535%0.352CS..Hα-helixtrans-62.5-43.7177.1178.20000112.6M283 T284 T285 R291M283-S287 WeakPolarHBondContact O-CB 3.41Å; M283-S287 PolarHBondContact O-N 3.36Å; T284-S287 PolarHBondContact O-N 3.4Å; T285-S287 PolarHBondContact O-N 2.92Å; S287-R291 PolarHBondContact O-N 3.18Å
288I91.5Very high91Very high91 Ų9168 Ų6847%0.46737%0.371SS..Hα-helixtrans-65-46.9177.3-67166.5000110.2T284 T285 A290 R291 H292T284-I288 HydrophobicContact CG2-CD1 4.07Å; T284-I288 WeakPolarHBondContact O-CG1 3.3Å; T284-I288 PolarHBondContact O-N 3.08Å; T285-I288 PolarHBondContact O-N 3.2Å; I288-A290 VanDerWaalsContact C-N 3.33Å; I288-A290 PolarHBondContact O-N 3.07Å; I288-R291 PolarHBondContact O-N 3.12Å; I288-R291 VanDerWaalsContact O-N 3.15Å; I288-H292 PolarHBondContact O-CD2 3.26Å; I288-H292 PolarHBondContact O-N 3.18Å
289S90.3Very high90.9Very high73 Ų7368.4 Ų68.451%0.5137%0.365SS..Hα-helixtrans-56.5-46.7178.2-1720000111.8T285 L286 R291 H292T285-S289 WeakPolarHBondContact O-CB 3.22Å; T285-S289 PolarHBondContact O-N 2.93Å; L286-S289 PolarHBondContact O-N 3.41Å; S289-R291 VanDerWaalsContact C-N 3.26Å; S289-R291 PolarHBondContact O-N 3.32Å; S289-H292 PolarHBondContact O-N 3.29Å
290A88.1Confident90.7Very high5 Ų570.2 Ų70.24%0.04138%0.381CS..Hα-helixtrans-60.2-33.3179.100000113.3I247 L286 I288 M303 I307I247-A290 HydrophobicContact CD1-CB 3.92Å; I247-A290 HydrophobicContact CG2-CB 4.5Å; L286-A290 WeakPolarHBondContact O-CB 3.37Å; L286-A290 PolarHBondContact O-N 3.09Å; I288-A290 VanDerWaalsContact C-N 3.33Å; I288-A290 PolarHBondContact O-N 3.07Å; A290-M303 HydrophobicContact CB-CE 3.88Å; A290-M303 HydrophobicContact CB-SD 4.2Å; A290-I307 HydrophobicContact CB-CD1 3.83Å
291R85.6Confident90.7Very high151 Ų15169 Ų6957%0.5737%0.374SS*.Hα-helixtrans-78.6-21.4179.4-74.6-174.6175.5171.31.3114.1S287 I288 S289 S293 L294 D304S287-R291 PolarHBondContact O-N 3.18Å; I288-R291 PolarHBondContact O-N 3.12Å; I288-R291 VanDerWaalsContact O-N 3.15Å; S289-R291 VanDerWaalsContact C-N 3.26Å; S289-R291 PolarHBondContact O-N 3.32Å; R291-S293 PolarHBondContact O-N 3.41Å; R291-L294 PolarHBondContact O-N 3.26Å; R291-D304 IonicContact CZ-OD1 3.44Å; R291-D304 IonicContact NE-OD1 3.48Å; R291-D304 PolarHBondContact NE-OD1 3.28Å; R291-D304 VanDerWaalsContact NE-OD1 3.09Å; R291-D304 IonicContact NH2-OD1 2.73Å; R291-D304 PolarHBondContact NH2-OD1 2.95Å
292H86Confident90.6Very high151 Ų15163.8 Ų63.870%0.69935%0.346SS*.Hα-helixtrans-68.8-24.1176.2-79.2-67.1000112.9I288 S289 L294I288-H292 PolarHBondContact O-CD2 3.26Å; I288-H292 PolarHBondContact O-N 3.18Å; S289-H292 PolarHBondContact O-N 3.29Å; H292-L294 VanDerWaalsContact C-N 3.31Å
293S78.6Confident90.5Very high58 Ų5861.1 Ų61.141%0.40633%0.33SS..THydrogen-bonded Turntrans-83.5-4178.9-55.50000114R291R291-S293 PolarHBondContact O-N 3.41Å
294L85.2Confident90.4Very high19 Ų1962.1 Ų62.110%0.09934%0.335CS..SBendtrans-118.6147.7-174.1-79.9168.6000111.7L160 F163 R291 H292 M303L160-L294 HydrophobicContact CD1-CD2 4.15Å; F163-L294 HydrophobicContact CD1-CD1 3.86Å; F163-L294 HydrophobicContact CD1-CD2 3.93Å; F163-L294 HydrophobicContact CD1-CG 4.4Å; F163-L294 HydrophobicContact CD2-CD2 3.7Å; F163-L294 HydrophobicContact CE1-CD1 3.65Å; F163-L294 HydrophobicContact CE1-CD2 3.72Å; F163-L294 HydrophobicContact CE1-CG 3.94Å; F163-L294 HydrophobicContact CE2-CD2 3.44Å; F163-L294 VanDerWaalsContact CE2-CD2 3.44Å; F163-L294 HydrophobicContact CE2-CG 4.41Å; F163-L294 HydrophobicContact CG-CD2 3.92Å; F163-L294 HydrophobicContact CZ-CD1 4.17Å; F163-L294 HydrophobicContact CZ-CD2 3.44Å; F163-L294 VanDerWaalsContact CZ-CD2 3.44Å; F163-L294 HydrophobicContact CZ-CG 3.92Å; R291-L294 PolarHBondContact O-N 3.26Å; H292-L294 VanDerWaalsContact C-N 3.31Å; L294-M303 HydrophobicContact CD1-CE 3.4Å; L294-M303 VanDerWaalsContact CD1-CE 3.4Å
295P90Very high90.5Very high15 Ų1566.9 Ų66.910%0.09735%0.347CS..  trans-60.4154.916628.2-36.2000110.9D72 M75 L160 V297D72-P295 VanDerWaalsContact O-CG 3.26Å; D72-P295 WeakPolarHBondContact O-CG 3.37Å; M75-P295 HydrophobicContact CE-CG 4.41Å; L160-P295 HydrophobicContact CD1-CG 3.37Å; P295-V297 HydrophobicContact CG-CG1 4.37Å; P295-V297 PolarHBondContact O-N 3.15Å; P295-V297 VanDerWaalsContact O-N 3.1Å
296K88.6Confident90.5Very high219 Ų21963 Ų6395%0.95232%0.323SS*.  trans-72.8104.6173.3-64.9178.9-177.1175.60109.4
297V90.3Very high90.7Very high44 Ų4461.4 Ų61.427%0.26732%0.315SS..  trans-106.1152.1173.3-66.80000110.8L160 P295 Y299 T301L160-V297 HydrophobicContact CD1-CG1 4.33Å; P295-V297 HydrophobicContact CG-CG1 4.37Å; P295-V297 PolarHBondContact O-N 3.15Å; P295-V297 VanDerWaalsContact O-N 3.1Å; V297-Y299 HydrophobicContact CB-CD1 4.47Å; V297-Y299 HydrophobicContact CB-CE1 4.14Å; V297-Y299 HydrophobicContact CB-CE2 4.18Å; V297-Y299 HydrophobicContact CG1-CE1 4.43Å; V297-Y299 HydrophobicContact CG1-CE2 4.49Å; V297-Y299 HydrophobicContact CG2-CD2 4.33Å; V297-Y299 HydrophobicContact CG2-CE2 4.13Å; V297-Y299 WeakPolarHBondContact CG2-O 3.46Å; V297-T301 HydrophobicContact CG2-CG2 4.41Å
298S91.5Very high90.9Very high129 Ų12962.7 Ų62.790%0.90233%0.327SS*.SBendtrans-81.2-16.6-178.655.10000113.9
299Y92.8Very high91.1Very high82 Ų8260.2 Ų60.232%0.32232%0.316SS..SBendtrans-106.4158.5-17952.4-98.1000111.6L160 V161 V297L160-Y299 HydrophobicContact CB-CE2 4.35Å; L160-Y299 PolarHBondContact N-OH 3.4Å; V161-Y299 HydrophobicContact CB-CE2 4.42Å; V161-Y299 HydrophobicContact CG2-CD2 3.77Å; V161-Y299 HydrophobicContact CG2-CE2 3.63Å; V161-Y299 HydrophobicContact CG2-CG 4.41Å; V297-Y299 HydrophobicContact CB-CD1 4.47Å; V297-Y299 HydrophobicContact CB-CE1 4.14Å; V297-Y299 HydrophobicContact CB-CE2 4.18Å; V297-Y299 HydrophobicContact CG1-CE1 4.43Å; V297-Y299 HydrophobicContact CG1-CE2 4.49Å; V297-Y299 HydrophobicContact CG2-CD2 4.33Å; V297-Y299 HydrophobicContact CG2-CE2 4.13Å; V297-Y299 WeakPolarHBondContact CG2-O 3.46Å
300A91.7Very high91.5Very high46 Ų4656.7 Ų56.738%0.3829%0.292SS..  trans-80.3136.917600000111.4D304A300-D304 HydrophobicContact CB-CB 4.34Å
301T94.1Very high91.9Very high1 Ų160.1 Ų60.11%0.00631%0.306CS..  trans-85163.8174.8660000111.8L160 V161 F163 V297 M303 D304 W305L160-T301 HydrophobicContact CB-CG2 4.5Å; L160-T301 VanDerWaalsContact O-CG2 3.31Å; L160-T301 WeakPolarHBondContact O-CG2 3.49Å; V161-T301 CarbonylContact O-C 3.57Å; F163-T301 HydrophobicContact CB-CG2 4.25Å; V297-T301 HydrophobicContact CG2-CG2 4.41Å; T301-M303 PolarHBondContact O-N 3.4Å; T301-D304 PolarHBondContact N-OD2 2.99Å; T301-D304 VanDerWaalsContact N-OD2 3.09Å; T301-D304 WeakPolarHBondContact O-CB 3.42Å; T301-D304 PolarHBondContact O-N 3.34Å; T301-D304 VanDerWaalsContact O-N 3.09Å; T301-D304 PolarHBondContact OG1-N 3.43Å; T301-D304 PolarHBondContact OG1-OD2 3.44Å; T301-W305 VanDerWaalsContact O-CD1 3.27Å; T301-W305 PolarHBondContact O-N 3.22Å; T301-W305 VanDerWaalsContact O-N 3.13Å
302A93.6Very high92.4Very high0 Ų055.2 Ų55.20%030%0.298CS..Hα-helixtrans-55.8-41.8172.200000111.9V161 F163 D304 W305 F306 Y436 Y440V161-A302 PolarHBondContact O-N 2.94Å; F163-A302 WeakPolarHBondContact O-CB 3.46Å; A302-D304 PolarHBondContact O-N 3.23Å; A302-W305 PolarHBondContact O-N 2.87Å; A302-F306 PolarHBondContact O-N 2.73Å; A302-Y436 PolarHBondContact O-OH 3.16Å; A302-Y440 HydrophobicContact CB-CD1 3.69Å; A302-Y440 HydrophobicContact CB-CD2 4.31Å; A302-Y440 HydrophobicContact CB-CE1 3.28Å; A302-Y440 HydrophobicContact CB-CE2 3.96Å; A302-Y440 HydrophobicContact CB-CG 4.19Å; A302-Y440 VanDerWaalsContact CB-CZ 3.42Å
303M93.6Very high92.9Very high0 Ų049.6 Ų49.60%027%0.271CS..Hα-helixtrans-59.2-43.7172.7-173.2-175.368.600113F163 I247 A290 L294 T301 W305 F306 I307F163-M303 HydrophobicContact CD1-CB 4.15Å; F163-M303 HydrophobicContact CD1-CE 4.21Å; F163-M303 HydrophobicContact CD1-SD 4.24Å; F163-M303 HydrophobicContact CE1-CE 3.86Å; F163-M303 HydrophobicContact CE1-SD 3.74Å; F163-M303 PolarHBondContact O-N 2.93Å; F163-M303 VanDerWaalsContact O-N 3.12Å; I247-M303 HydrophobicContact CD1-SD 3.46Å; I247-M303 WeakPolarHBondContact CD1-SD 3.48Å; I247-M303 HydrophobicContact CG2-CG 4.35Å; I247-M303 HydrophobicContact CG2-SD 4.12Å; A290-M303 HydrophobicContact CB-CE 3.88Å; A290-M303 HydrophobicContact CB-SD 4.2Å; L294-M303 HydrophobicContact CD1-CE 3.4Å; L294-M303 VanDerWaalsContact CD1-CE 3.4Å; T301-M303 PolarHBondContact O-N 3.4Å; M303-W305 VanDerWaalsContact C-N 3.3Å; M303-W305 PolarHBondContact O-N 2.85Å; M303-F306 WeakPolarHBondContact O-CB 3.27Å; M303-F306 PolarHBondContact O-N 3.03Å; M303-I307 HydrophobicContact CE-CD1 4.45Å; M303-I307 HydrophobicContact CG-CD1 3.87Å; M303-I307 HydrophobicContact CG-CG1 4.41Å; M303-I307 WeakPolarHBondContact O-CG1 3.3Å; M303-I307 PolarHBondContact O-N 3.16Å; M303-I307 HydrophobicContact SD-CD1 4.39Å
304D94.3Very high93.8Very high22 Ų2246.9 Ų46.912%0.11825%0.252CS..Hα-helixtrans-59.6-41.7176.9-75.3-66.3000111.2R291 A300 T301 A302 I307 A308R291-D304 IonicContact CZ-OD1 3.44Å; R291-D304 IonicContact NE-OD1 3.48Å; R291-D304 PolarHBondContact NE-OD1 3.28Å; R291-D304 VanDerWaalsContact NE-OD1 3.09Å; R291-D304 IonicContact NH2-OD1 2.73Å; R291-D304 PolarHBondContact NH2-OD1 2.95Å; A300-D304 HydrophobicContact CB-CB 4.34Å; T301-D304 PolarHBondContact N-OD2 2.99Å; T301-D304 VanDerWaalsContact N-OD2 3.09Å; T301-D304 WeakPolarHBondContact O-CB 3.42Å; T301-D304 PolarHBondContact O-N 3.34Å; T301-D304 VanDerWaalsContact O-N 3.09Å; T301-D304 PolarHBondContact OG1-N 3.43Å; T301-D304 PolarHBondContact OG1-OD2 3.44Å; A302-D304 PolarHBondContact O-N 3.23Å; D304-I307 PolarHBondContact O-N 3.29Å; D304-A308 VanDerWaalsContact O-CB 3.23Å; D304-A308 WeakPolarHBondContact O-CB 3.48Å; D304-A308 PolarHBondContact O-N 2.85Å
305W95.3Very high94.3Very high152 Ų15250.5 Ų50.558%0.57627%0.267SS*.Hα-helixtrans-62.6-41.9175.5-75.8111.2000112.1T301 A302 M303 A308 V309T301-W305 VanDerWaalsContact O-CD1 3.27Å; T301-W305 PolarHBondContact O-N 3.22Å; T301-W305 VanDerWaalsContact O-N 3.13Å; A302-W305 PolarHBondContact O-N 2.87Å; M303-W305 VanDerWaalsContact C-N 3.3Å; M303-W305 PolarHBondContact O-N 2.85Å; W305-A308 PolarHBondContact O-N 3.45Å; W305-V309 WeakPolarHBondContact O-CG2 3.4Å; W305-V309 PolarHBondContact O-N 3.45Å
306F96.3Very high94.5Very high0 Ų052.2 Ų52.20%028%0.28CS..Hα-helixtrans-61.4-48.4175.8-172.4-92.2000112.4Y248 C251 I252 A302 M303 V309 C310 F432 N433 Y436Y248-F306 AromaticContact CD1-CD1 3.58Å; Y248-F306 HydrophobicContact CD1-CD1 3.58Å; Y248-F306 HydrophobicContact CD1-CD2 4.15Å; Y248-F306 AromaticContact CD1-CE1 3.5Å; Y248-F306 HydrophobicContact CD1-CE1 3.5Å; Y248-F306 HydrophobicContact CD1-CE2 4.06Å; Y248-F306 AromaticContact CD1-CG 3.92Å; Y248-F306 HydrophobicContact CD1-CG 3.92Å; Y248-F306 AromaticContact CD1-CZ 3.76Å; Y248-F306 HydrophobicContact CD1-CZ 3.76Å; Y248-F306 HydrophobicContact CE1-CB 4.06Å; Y248-F306 AromaticContact CE1-CD1 3.67Å; Y248-F306 HydrophobicContact CE1-CD1 3.67Å; Y248-F306 AromaticContact CE1-CD2 3.9Å; Y248-F306 HydrophobicContact CE1-CD2 3.9Å; Y248-F306 HydrophobicContact CE1-CE1 4.06Å; Y248-F306 HydrophobicContact CE1-CE2 4.26Å; Y248-F306 AromaticContact CE1-CG 3.59Å; Y248-F306 HydrophobicContact CE1-CG 3.59Å; Y248-F306 HydrophobicContact CE1-CZ 4.34Å; C251-F306 HydrophobicContact CB-CE1 3.96Å; I252-F306 HydrophobicContact CD1-CZ 4.3Å; I252-F306 HydrophobicContact CG1-CZ 3.97Å; A302-F306 PolarHBondContact O-N 2.73Å; M303-F306 WeakPolarHBondContact O-CB 3.27Å; M303-F306 PolarHBondContact O-N 3.03Å; F306-V309 PolarHBondContact O-N 3.42Å; F306-C310 WeakPolarHBondContact CE1-SG 3.48Å; F306-C310 WeakPolarHBondContact O-CB 3.24Å; F306-C310 PolarHBondContact O-N 3.26Å; F306-C310 PolarHBondContact O-SG 2.66Å; F306-F432 AromaticContact CD2-CE1 3.69Å; F306-F432 HydrophobicContact CD2-CE1 3.69Å; F306-F432 AromaticContact CD2-CZ 3.9Å; F306-F432 HydrophobicContact CD2-CZ 3.9Å; F306-F432 AromaticContact CE2-CE1 3.76Å; F306-F432 HydrophobicContact CE2-CE1 3.76Å; F306-F432 HydrophobicContact CE2-CZ 4.42Å; F306-N433 WeakPolarHBondContact CE2-OD1 3.3Å; F306-Y436 HydrophobicContact CB-CD2 4.45Å; F306-Y436 HydrophobicContact CB-CE1 4.37Å; F306-Y436 HydrophobicContact CB-CE2 3.77Å; F306-Y436 AromaticContact CD2-CD1 3.66Å; F306-Y436 HydrophobicContact CD2-CD1 3.66Å; F306-Y436 HydrophobicContact CD2-CD2 4.05Å; F306-Y436 AromaticContact CD2-CE1 3.64Å; F306-Y436 HydrophobicContact CD2-CE1 3.64Å; F306-Y436 HydrophobicContact CD2-CE2 4.03Å; F306-Y436 AromaticContact CD2-CG 3.87Å; F306-Y436 HydrophobicContact CD2-CG 3.87Å; F306-Y436 AromaticContact CD2-CZ 3.84Å; F306-Y436 HydrophobicContact CE2-CD1 4.1Å; F306-Y436 HydrophobicContact CE2-CE1 4.32Å; F306-Y436 HydrophobicContact CE2-CG 4.48Å; F306-Y436 HydrophobicContact CG-CE1 4.28Å; F306-Y436 HydrophobicContact CG-CE2 4.38Å
307I95.6Very high94.7Very high7 Ų742 Ų424%0.03624%0.236CC..Hα-helixtrans-62.6-42.9178-69.5174.7000110.2I247 M283 A290 M303 D304 V309 C310 F311I247-I307 HydrophobicContact CG2-CD1 4.17Å; M283-I307 HydrophobicContact CE-CB 4.22Å; M283-I307 HydrophobicContact CE-CG2 3.75Å; M283-I307 WeakPolarHBondContact CE-O 3.33Å; A290-I307 HydrophobicContact CB-CD1 3.83Å; M303-I307 HydrophobicContact CE-CD1 4.45Å; M303-I307 HydrophobicContact CG-CD1 3.87Å; M303-I307 HydrophobicContact CG-CG1 4.41Å; M303-I307 WeakPolarHBondContact O-CG1 3.3Å; M303-I307 PolarHBondContact O-N 3.16Å; M303-I307 HydrophobicContact SD-CD1 4.39Å; D304-I307 PolarHBondContact O-N 3.29Å; I307-V309 PolarHBondContact O-N 3.28Å; I307-C310 PolarHBondContact O-N 3.37Å; I307-F311 WeakPolarHBondContact O-CB 3.42Å; I307-F311 PolarHBondContact O-N 3.09Å
308A95.8Very high94.9Very high51 Ų5142 Ų4242%0.42123%0.234SC..Hα-helixtrans-62.3-42.9178.800000112.2D304 W305 F311 A312D304-A308 VanDerWaalsContact O-CB 3.23Å; D304-A308 WeakPolarHBondContact O-CB 3.48Å; D304-A308 PolarHBondContact O-N 2.85Å; W305-A308 PolarHBondContact O-N 3.45Å; A308-F311 PolarHBondContact O-N 3.42Å; A308-A312 PolarHBondContact O-N 3.48Å
309V96.9Very high95Very high39 Ų3940.3 Ų40.324%0.23621%0.214CC..Hα-helixtrans-66.8-44.4176.3173.40000111.1W305 F306 I307 F311 A312 F313 F432W305-V309 WeakPolarHBondContact O-CG2 3.4Å; W305-V309 PolarHBondContact O-N 3.45Å; F306-V309 PolarHBondContact O-N 3.42Å; I307-V309 PolarHBondContact O-N 3.28Å; V309-F311 VanDerWaalsContact C-N 3.28Å; V309-F311 PolarHBondContact O-N 3.02Å; V309-A312 WeakPolarHBondContact O-CB 3.23Å; V309-A312 PolarHBondContact O-N 3.45Å; V309-A312 VanDerWaalsContact O-N 3.14Å; V309-F313 HydrophobicContact CG1-CD2 3.78Å; V309-F313 HydrophobicContact CG1-CE2 3.63Å; V309-F313 VanDerWaalsContact O-CD2 3.31Å; V309-F313 WeakPolarHBondContact O-CD2 3.35Å; V309-F313 PolarHBondContact O-N 2.9Å; V309-F432 HydrophobicContact CB-CD2 4.47Å; V309-F432 HydrophobicContact CB-CE1 4Å; V309-F432 HydrophobicContact CB-CE2 3.88Å; V309-F432 HydrophobicContact CB-CZ 3.62Å; V309-F432 HydrophobicContact CG1-CD1 3.78Å; V309-F432 HydrophobicContact CG1-CD2 3.79Å; V309-F432 HydrophobicContact CG1-CE1 3.68Å; V309-F432 HydrophobicContact CG1-CE2 3.7Å; V309-F432 HydrophobicContact CG1-CG 3.83Å; V309-F432 HydrophobicContact CG1-CZ 3.64Å; V309-F432 HydrophobicContact CG2-CD2 4.44Å; V309-F432 HydrophobicContact CG2-CE2 3.75Å; V309-F432 HydrophobicContact CG2-CZ 3.92Å
310C97.2Very high95.1Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-58.1-41.8174.4-70.30000111.7V255 M283 F306 I307 F313 V314V255-C310 HydrophobicContact CG2-CB 3.73Å; M283-C310 HydrophobicContact CE-CB 3.3Å; M283-C310 HydrophobicContact SD-CB 4.1Å; F306-C310 WeakPolarHBondContact CE1-SG 3.48Å; F306-C310 WeakPolarHBondContact O-CB 3.24Å; F306-C310 PolarHBondContact O-N 3.26Å; F306-C310 PolarHBondContact O-SG 2.66Å; I307-C310 PolarHBondContact O-N 3.37Å; C310-F313 PolarHBondContact O-N 3.08Å; C310-V314 WeakPolarHBondContact O-CG2 3.31Å; C310-V314 PolarHBondContact O-N 3.22Å
311F96.1Very high95.1Very high76 Ų7635.7 Ų35.733%0.33319%0.187SC..Hα-helixtrans-62.2-42.8175.3-172.8-90.1000111.8V280 M283 I307 A308 V309 F313 V314 F315V280-F311 HydrophobicContact CG1-CE2 4.16Å; V280-F311 HydrophobicContact CG1-CZ 4.28Å; M283-F311 HydrophobicContact CB-CD2 4.09Å; M283-F311 HydrophobicContact CE-CB 4.48Å; M283-F311 HydrophobicContact CG-CB 4.02Å; M283-F311 HydrophobicContact CG-CD2 3.73Å; M283-F311 HydrophobicContact CG-CG 4.36Å; I307-F311 WeakPolarHBondContact O-CB 3.42Å; I307-F311 PolarHBondContact O-N 3.09Å; A308-F311 PolarHBondContact O-N 3.42Å; V309-F311 VanDerWaalsContact C-N 3.28Å; V309-F311 PolarHBondContact O-N 3.02Å; F311-F313 VanDerWaalsContact C-N 3.35Å; F311-F313 PolarHBondContact O-N 2.95Å; F311-V314 PolarHBondContact O-N 3.17Å; F311-F315 VanDerWaalsContact O-CB 3.31Å; F311-F315 WeakPolarHBondContact O-CB 3.45Å; F311-F315 PolarHBondContact O-N 3.07Å
312A96.9Very high95Very high49 Ų4938.2 Ų38.241%0.40521%0.208SC..Hα-helixtrans-61.4-40.1175.500000112.3A308 V309 S316A308-A312 PolarHBondContact O-N 3.48Å; V309-A312 WeakPolarHBondContact O-CB 3.23Å; V309-A312 PolarHBondContact O-N 3.45Å; V309-A312 VanDerWaalsContact O-N 3.14Å; A312-S316 WeakPolarHBondContact O-CB 3.5Å; A312-S316 PolarHBondContact O-N 2.9Å; A312-S316 PolarHBondContact O-OG 3.46Å
313F96.8Very high94.9Very high33 Ų3339.8 Ų39.815%0.14522%0.221CC..Hα-helixtrans-63.8-47.1175.5-87.5-77.6000112.5V255 V309 C310 F311 S316 A317 F425 A428 F429V255-F313 HydrophobicContact CG1-CB 4.15Å; V309-F313 HydrophobicContact CG1-CD2 3.78Å; V309-F313 HydrophobicContact CG1-CE2 3.63Å; V309-F313 VanDerWaalsContact O-CD2 3.31Å; V309-F313 WeakPolarHBondContact O-CD2 3.35Å; V309-F313 PolarHBondContact O-N 2.9Å; C310-F313 PolarHBondContact O-N 3.08Å; F311-F313 VanDerWaalsContact C-N 3.35Å; F311-F313 PolarHBondContact O-N 2.95Å; F313-S316 PolarHBondContact O-N 2.64Å; F313-A317 PolarHBondContact O-N 3Å; F313-F425 HydrophobicContact CD1-CD1 4.04Å; F313-A428 HydrophobicContact CE1-CB 3.98Å; F313-A428 HydrophobicContact CZ-CB 4Å; F313-F429 AromaticContact CD2-CD2 3.8Å; F313-F429 HydrophobicContact CD2-CD2 3.8Å; F313-F429 HydrophobicContact CD2-CE2 4.46Å; F313-F429 HydrophobicContact CE1-CB 4.17Å; F313-F429 HydrophobicContact CE2-CB 4.46Å; F313-F429 AromaticContact CE2-CD2 3.87Å; F313-F429 HydrophobicContact CE2-CD2 3.87Å; F313-F429 HydrophobicContact CG-CD2 4.28Å; F313-F429 HydrophobicContact CZ-CB 4.15Å; F313-F429 HydrophobicContact CZ-CD2 4.39Å
314V96.5Very high94.7Very high0 Ų039.9 Ų39.90%022%0.222CC..Hα-helixtrans-62.5-44.4178.2174.50000110.7T254 V255 T279 V280 C310 F311 S316 A317 L318T254-V314 HydrophobicContact CG2-CG2 4.42Å; V255-V314 HydrophobicContact CG2-CG2 4.04Å; T279-V314 WeakPolarHBondContact OG1-CG1 3.18Å; V280-V314 HydrophobicContact CB-CG1 4.44Å; V280-V314 HydrophobicContact CG2-CG1 3.72Å; C310-V314 WeakPolarHBondContact O-CG2 3.31Å; C310-V314 PolarHBondContact O-N 3.22Å; F311-V314 PolarHBondContact O-N 3.17Å; V314-S316 VanDerWaalsContact C-N 3.34Å; V314-S316 PolarHBondContact O-N 3.21Å; V314-A317 WeakPolarHBondContact O-CB 3.41Å; V314-A317 PolarHBondContact O-N 3.47Å; V314-L318 PolarHBondContact O-N 3.36Å
315F95.8Very high94.5Very high96 Ų9641.1 Ų41.142%0.42123%0.228SC..Hα-helixtrans-65.8-37.8177.4-165.8-105.2000112.1V280 F311 A317 L318 I319V280-F315 HydrophobicContact CG2-CD2 4.48Å; F311-F315 VanDerWaalsContact O-CB 3.31Å; F311-F315 WeakPolarHBondContact O-CB 3.45Å; F311-F315 PolarHBondContact O-N 3.07Å; F315-A317 VanDerWaalsContact C-N 3.3Å; F315-A317 PolarHBondContact O-N 3.42Å; F315-L318 WeakPolarHBondContact O-CB 3.48Å; F315-L318 PolarHBondContact O-N 3.43Å; F315-L318 VanDerWaalsContact O-N 3.14Å; F315-I319 HydrophobicContact CD1-CD1 3.7Å; F315-I319 HydrophobicContact CD1-CG1 4.25Å; F315-I319 HydrophobicContact CE1-CD1 3.63Å; F315-I319 HydrophobicContact CE1-CG1 4.13Å; F315-I319 WeakPolarHBondContact O-CG1 3.37Å; F315-I319 PolarHBondContact O-N 3.39Å
316S95.1Very high94.3Very high50 Ų5040.9 Ų40.935%0.3523%0.229SC..Hα-helixtrans-63.8-34.8175.3-61.60000112.2A312 F313 V314 L318 I319 E320A312-S316 WeakPolarHBondContact O-CB 3.5Å; A312-S316 PolarHBondContact O-N 2.9Å; A312-S316 PolarHBondContact O-OG 3.46Å; F313-S316 PolarHBondContact O-N 2.64Å; V314-S316 VanDerWaalsContact C-N 3.34Å; V314-S316 PolarHBondContact O-N 3.21Å; S316-L318 VanDerWaalsContact C-N 3.34Å; S316-I319 PolarHBondContact O-N 2.94Å; S316-E320 WeakPolarHBondContact O-CB 3.38Å; S316-E320 PolarHBondContact O-N 2.91Å
317A93.6Very high94Very high4 Ų445.5 Ų45.53%0.03325%0.249CC..Hα-helixtrans-65.6-35.8173.200000112.3F262 F313 V314 F315 E320 F321 F425F262-A317 HydrophobicContact CE1-CB 4.02Å; F262-A317 HydrophobicContact CZ-CB 3.77Å; F313-A317 PolarHBondContact O-N 3Å; V314-A317 WeakPolarHBondContact O-CB 3.41Å; V314-A317 PolarHBondContact O-N 3.47Å; F315-A317 VanDerWaalsContact C-N 3.3Å; F315-A317 PolarHBondContact O-N 3.42Å; A317-E320 PolarHBondContact O-N 2.96Å; A317-F321 PolarHBondContact O-N 2.94Å; A317-F425 HydrophobicContact CB-CE1 4.4Å
318L93.4Very high93.6Very high45 Ų4546.3 Ų46.324%0.23625%0.254CS..Hα-helixtrans-67.4-41.4173.9-177.166.9000111.9V280 V314 F315 S316 E320 F321 A322V280-L318 HydrophobicContact CG2-CD2 4.31Å; V314-L318 PolarHBondContact O-N 3.36Å; F315-L318 WeakPolarHBondContact O-CB 3.48Å; F315-L318 PolarHBondContact O-N 3.43Å; F315-L318 VanDerWaalsContact O-N 3.14Å; S316-L318 VanDerWaalsContact C-N 3.34Å; L318-E320 VanDerWaalsContact C-N 3.34Å; L318-F321 HydrophobicContact CD1-CD1 4.33Å; L318-F321 PolarHBondContact O-N 2.94Å; L318-A322 PolarHBondContact O-N 3.29Å
319I94.3Very high93.2Very high94 Ų9447.3 Ų47.348%0.48225%0.252SS..Hα-helixtrans-62.8-42.7174.6-67.1171.9000110.7F315 S316 F321 A322 A323F315-I319 HydrophobicContact CD1-CD1 3.7Å; F315-I319 HydrophobicContact CD1-CG1 4.25Å; F315-I319 HydrophobicContact CE1-CD1 3.63Å; F315-I319 HydrophobicContact CE1-CG1 4.13Å; F315-I319 WeakPolarHBondContact O-CG1 3.37Å; F315-I319 PolarHBondContact O-N 3.39Å; S316-I319 PolarHBondContact O-N 2.94Å; I319-F321 VanDerWaalsContact C-N 3.33Å; I319-F321 PolarHBondContact O-N 3.05Å; I319-A322 WeakPolarHBondContact O-CB 3.41Å; I319-A322 PolarHBondContact O-N 3.5Å; I319-A323 PolarHBondContact O-N 3.33Å
320E94.3Very high92.7Very high13 Ų1347.6 Ų47.66%0.06125%0.252CS..Hα-helixtrans-57.1-47.9176.5-171.9-81.6170.900111.1F262 R272 S316 A317 L318 A322 A323 V324 I417 S421F262-E320 WeakPolarHBondContact CD1-OE2 3.49Å; F262-E320 HydrophobicContact CE1-CB 4.17Å; F262-E320 HydrophobicContact CE1-CG 3.98Å; F262-E320 WeakPolarHBondContact CE1-OE2 3.39Å; R272-E320 IonicContact NH2-OE2 3.33Å; R272-E320 PolarHBondContact NH2-OE2 3.24Å; S316-E320 WeakPolarHBondContact O-CB 3.38Å; S316-E320 PolarHBondContact O-N 2.91Å; A317-E320 PolarHBondContact O-N 2.96Å; L318-E320 VanDerWaalsContact C-N 3.34Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 2.93Å; E320-A323 WeakPolarHBondContact O-CB 3.35Å; E320-A323 PolarHBondContact O-N 3.27Å; E320-V324 WeakPolarHBondContact O-CG2 3.41Å; E320-V324 PolarHBondContact O-N 3.15Å; E320-V324 WeakPolarHBondContact OE1-CG2 3.05Å; E320-I417 HydrophobicContact CG-CG2 4.1Å; E320-I417 WeakPolarHBondContact OE1-CG2 3.47Å; E320-S421 WeakPolarHBondContact CG-OG 3.39Å; E320-S421 PolarHBondContact OE1-OG 3.49Å; E320-S421 VanDerWaalsContact OE1-OG 3.07Å
321F91.6Very high92.2Very high18 Ų1853 Ų538%0.07928%0.277CS..Hα-helixtrans-59-45.2175.5161.1-114.4000112V269 R272 T273 A317 L318 I319 A323 V324 N325V269-F321 HydrophobicContact CG1-CE2 4.39Å; V269-F321 HydrophobicContact CG1-CZ 3.89Å; R272-F321 HydrophobicContact CB-CD2 3.52Å; R272-F321 HydrophobicContact CB-CE2 3.45Å; R272-F321 VanDerWaalsContact CB-CE2 3.45Å; R272-F321 HydrophobicContact CB-CG 4.11Å; R272-F321 HydrophobicContact CB-CZ 4Å; R272-F321 HydrophobicContact CG-CD2 4.24Å; R272-F321 HydrophobicContact CG-CE2 4.33Å; T273-F321 VanDerWaalsContact OG1-CE1 3.3Å; T273-F321 WeakPolarHBondContact OG1-CE1 3.25Å; T273-F321 WeakPolarHBondContact OG1-CZ 3.39Å; A317-F321 PolarHBondContact O-N 2.94Å; L318-F321 HydrophobicContact CD1-CD1 4.33Å; L318-F321 PolarHBondContact O-N 2.94Å; I319-F321 VanDerWaalsContact C-N 3.33Å; I319-F321 PolarHBondContact O-N 3.05Å; F321-A323 VanDerWaalsContact C-N 3.3Å; F321-A323 PolarHBondContact O-N 3.2Å; F321-V324 PolarHBondContact O-N 2.68Å; F321-N325 HydrophobicContact CE2-CB 4.33Å; F321-N325 WeakPolarHBondContact O-CB 3.32Å; F321-N325 PolarHBondContact O-N 3.34Å
322A91.7Very high91.6Very high54 Ų5451.6 Ų51.645%0.44628%0.277SS..Hα-helixtrans-60.2-41.5177.700000111.6L318 I319 E320 Y326L318-A322 PolarHBondContact O-N 3.29Å; I319-A322 WeakPolarHBondContact O-CB 3.41Å; I319-A322 PolarHBondContact O-N 3.5Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 2.93Å; A322-Y326 WeakPolarHBondContact O-CB 3.36Å; A322-Y326 PolarHBondContact O-N 3.23Å
323A91.3Very high91.1Very high33 Ų3354.1 Ų54.127%0.27328%0.281SS..Hα-helixtrans-64.4-47.3175.600000111.8I319 E320 F321 N325 Y326 F327I319-A323 PolarHBondContact O-N 3.33Å; E320-A323 WeakPolarHBondContact O-CB 3.35Å; E320-A323 PolarHBondContact O-N 3.27Å; F321-A323 VanDerWaalsContact C-N 3.3Å; F321-A323 PolarHBondContact O-N 3.2Å; A323-N325 VanDerWaalsContact C-N 3.34Å; A323-N325 PolarHBondContact O-N 3.22Å; A323-Y326 PolarHBondContact O-N 3.38Å; A323-F327 HydrophobicContact CB-CD2 4.41Å; A323-F327 HydrophobicContact CB-CE2 4.37Å; A323-F327 WeakPolarHBondContact O-CD2 3.22Å; A323-F327 PolarHBondContact O-N 3.03Å
324V91Very high90.6Very high2 Ų260 Ų601%0.01230%0.302CS..Hα-helixtrans-59.3-45.1177.4171.60000111.1K266 E320 F321 T328 I417K266-V324 HydrophobicContact CB-CG1 4.26Å; E320-V324 WeakPolarHBondContact O-CG2 3.41Å; E320-V324 PolarHBondContact O-N 3.15Å; E320-V324 WeakPolarHBondContact OE1-CG2 3.05Å; F321-V324 PolarHBondContact O-N 2.68Å; V324-T328 VanDerWaalsContact O-CB 3.24Å; V324-T328 WeakPolarHBondContact O-CB 3.45Å; V324-T328 PolarHBondContact O-N 3.17Å; V324-T328 PolarHBondContact O-OG1 2.9Å; V324-I417 HydrophobicContact CG2-CB 3.93Å; V324-I417 HydrophobicContact CG2-CD1 4.41Å; V324-I417 HydrophobicContact CG2-CG2 3.86Å
325N90Very high90.1Very high47 Ų4762.6 Ų62.625%0.25132%0.323SS..Hα-helixtrans-63-46177.5-175.137000111.4F321 A323 T328 N329F321-N325 HydrophobicContact CE2-CB 4.33Å; F321-N325 WeakPolarHBondContact O-CB 3.32Å; F321-N325 PolarHBondContact O-N 3.34Å; A323-N325 VanDerWaalsContact C-N 3.34Å; A323-N325 PolarHBondContact O-N 3.22Å; N325-T328 PolarHBondContact O-N 3.41Å; N325-N329 WeakPolarHBondContact O-CB 3.31Å; N325-N329 PolarHBondContact O-N 3.19Å; N325-N329 PolarHBondContact O-ND2 3.34Å; N325-N329 VanDerWaalsContact O-ND2 3.07Å; N325-N329 PolarHBondContact OD1-ND2 2.99Å; N325-N329 VanDerWaalsContact OD1-ND2 3.09Å
326Y90.3Very high89.5Confident148 Ų14862.8 Ų62.858%0.5833%0.325SS*.Hα-helixtrans-60.9-49.5178.1-179.9-99.4000112.5A322 A323 T328 N329 L330A322-Y326 WeakPolarHBondContact O-CB 3.36Å; A322-Y326 PolarHBondContact O-N 3.23Å; A323-Y326 PolarHBondContact O-N 3.38Å; Y326-T328 PolarHBondContact O-N 2.86Å; Y326-N329 PolarHBondContact O-N 3.39Å; Y326-L330 WeakPolarHBondContact O-CB 3.45Å; Y326-L330 PolarHBondContact O-N 3.36Å
327F89.6Confident89Confident96 Ų9668.6 Ų68.642%0.42134%0.339SS..Hα-helixtrans-67.1-36.7179.8-74.9-60.8000112.6A323 L330 Q331 I417A323-F327 HydrophobicContact CB-CD2 4.41Å; A323-F327 HydrophobicContact CB-CE2 4.37Å; A323-F327 WeakPolarHBondContact O-CD2 3.22Å; A323-F327 PolarHBondContact O-N 3.03Å; F327-L330 PolarHBondContact O-N 3.02Å; F327-Q331 WeakPolarHBondContact O-CB 3.33Å; F327-Q331 VanDerWaalsContact O-CG 3.29Å; F327-Q331 WeakPolarHBondContact O-CG 3.4Å; F327-Q331 PolarHBondContact O-N 3.39Å; F327-I417 HydrophobicContact CD2-CD1 3.72Å; F327-I417 HydrophobicContact CE2-CD1 4.23Å
328T86.8Confident88.4Confident24 Ų2475.8 Ų75.815%0.14737%0.37CS..Hα-helixtrans-63.3-47.3175.2-57.60000110.2K266 V324 N325 Y326 L330 Q331 S332K266-T328 HydrophobicContact CD-CG2 4.27Å; V324-T328 VanDerWaalsContact O-CB 3.24Å; V324-T328 WeakPolarHBondContact O-CB 3.45Å; V324-T328 PolarHBondContact O-N 3.17Å; V324-T328 PolarHBondContact O-OG1 2.9Å; N325-T328 PolarHBondContact O-N 3.41Å; Y326-T328 PolarHBondContact O-N 2.86Å; T328-L330 VanDerWaalsContact C-N 3.34Å; T328-L330 PolarHBondContact O-N 3.14Å; T328-Q331 PolarHBondContact O-N 3.09Å; T328-S332 PolarHBondContact O-N 2.9Å; T328-S332 PolarHBondContact O-OG 3.45Å; T328-S332 VanDerWaalsContact O-OG 3.05Å
329N87.1Confident87.7Confident73 Ų7376.5 Ų76.539%0.3938%0.382SS..Hα-helixtrans-62.2-40.1177.3-69.3-28.2000112.3N325 Y326 S332 Q333N325-N329 WeakPolarHBondContact O-CB 3.31Å; N325-N329 PolarHBondContact O-N 3.19Å; N325-N329 PolarHBondContact O-ND2 3.34Å; N325-N329 VanDerWaalsContact O-ND2 3.07Å; N325-N329 PolarHBondContact OD1-ND2 2.99Å; N325-N329 VanDerWaalsContact OD1-ND2 3.09Å; Y326-N329 PolarHBondContact O-N 3.39Å; N329-S332 PolarHBondContact O-N 3.46Å; N329-Q333 VanDerWaalsContact O-CG 3.3Å; N329-Q333 WeakPolarHBondContact O-CG 3.48Å; N329-Q333 PolarHBondContact O-N 3.39Å
330L87.3Confident86.8Confident44 Ų4479.1 Ų79.123%0.2339%0.392CS..Hα-helixtrans-64.5-40.5176.1-174.667.4000112.1Y326 F327 T328 R334Y326-L330 WeakPolarHBondContact O-CB 3.45Å; Y326-L330 PolarHBondContact O-N 3.36Å; F327-L330 PolarHBondContact O-N 3.02Å; T328-L330 VanDerWaalsContact C-N 3.34Å; T328-L330 PolarHBondContact O-N 3.14Å; L330-R334 WeakPolarHBondContact O-CB 3.49Å; L330-R334 VanDerWaalsContact O-CG 3.29Å; L330-R334 WeakPolarHBondContact O-CG 3.37Å; L330-R334 PolarHBondContact O-N 3.45Å
331Q85.9Confident85.6Confident113 Ų11384.2 Ų84.253%0.52843%0.425SS..Hα-helixtrans-66.3-43.7176-74.6176.72.100111.5F327 T328 R334 A335F327-Q331 WeakPolarHBondContact O-CB 3.33Å; F327-Q331 VanDerWaalsContact O-CG 3.29Å; F327-Q331 WeakPolarHBondContact O-CG 3.4Å; F327-Q331 PolarHBondContact O-N 3.39Å; T328-Q331 PolarHBondContact O-N 3.09Å; Q331-R334 PolarHBondContact O-N 3.48Å; Q331-A335 WeakPolarHBondContact O-CB 3.2Å; Q331-A335 PolarHBondContact O-N 2.87Å
332S84.5Confident84.2Confident48 Ų4889.1 Ų89.134%0.33646%0.456SS..Hα-helixtrans-58.6-48.6175.2-58.90000111.5T328 N329 R334 A335 E336T328-S332 PolarHBondContact O-N 2.9Å; T328-S332 PolarHBondContact O-OG 3.45Å; T328-S332 VanDerWaalsContact O-OG 3.05Å; N329-S332 PolarHBondContact O-N 3.46Å; S332-R334 VanDerWaalsContact C-N 3.33Å; S332-R334 PolarHBondContact O-N 2.82Å; S332-A335 WeakPolarHBondContact O-CB 3.38Å; S332-A335 PolarHBondContact O-N 3.07Å; S332-A335 VanDerWaalsContact O-N 3.16Å; S332-E336 WeakPolarHBondContact O-CG 3.25Å; S332-E336 PolarHBondContact O-N 3.22Å
333Q87.1Confident82.5Confident102 Ų10289.6 Ų89.648%0.47746%0.46SS..Hα-helixtrans-61.6-38.3176.7-71.9176.219.300113N329 R337N329-Q333 VanDerWaalsContact O-CG 3.3Å; N329-Q333 WeakPolarHBondContact O-CG 3.48Å; N329-Q333 PolarHBondContact O-N 3.39Å; Q333-R337 WeakPolarHBondContact O-CG 3.43Å; Q333-R337 PolarHBondContact O-N 3.14Å; Q333-R337 VanDerWaalsContact O-N 3.08Å
334R86.3Confident80.9Confident157 Ų15793.3 Ų93.359%0.59248%0.482SS*.Hα-helixtrans-67.9-37.7175.8-76.1174.8177.9178.30.7111.9L330 Q331 S332 K338L330-R334 WeakPolarHBondContact O-CB 3.49Å; L330-R334 VanDerWaalsContact O-CG 3.29Å; L330-R334 WeakPolarHBondContact O-CG 3.37Å; L330-R334 PolarHBondContact O-N 3.45Å; Q331-R334 PolarHBondContact O-N 3.48Å; S332-R334 VanDerWaalsContact C-N 3.33Å; S332-R334 PolarHBondContact O-N 2.82Å; R334-K338 WeakPolarHBondContact O-CG 3.33Å; R334-K338 PolarHBondContact O-N 2.92Å; R334-K338 VanDerWaalsContact O-N 3.08Å
335A84.6Confident79Confident53 Ų5398.4 Ų98.444%0.43852%0.515SS..Hα-helixtrans-65.7-44.1176.100000111.1Q331 S332 R337 K338 A339Q331-A335 WeakPolarHBondContact O-CB 3.2Å; Q331-A335 PolarHBondContact O-N 2.87Å; S332-A335 WeakPolarHBondContact O-CB 3.38Å; S332-A335 PolarHBondContact O-N 3.07Å; S332-A335 VanDerWaalsContact O-N 3.16Å; A335-R337 PolarHBondContact O-N 3.38Å; A335-K338 PolarHBondContact O-N 3.02Å; A335-A339 WeakPolarHBondContact O-CB 3.37Å; A335-A339 PolarHBondContact O-N 3.26Å
336E84.8Confident76.9Confident100 Ų100102.2 Ų102.247%0.46754%0.542SS..Hα-helixtrans-59.3-45.6174.9-72.2173.4177.900112.1S332 K338 A339 Q340S332-E336 WeakPolarHBondContact O-CG 3.25Å; S332-E336 PolarHBondContact O-N 3.22Å; E336-K338 PolarHBondContact O-N 2.79Å; E336-A339 PolarHBondContact O-N 3.32Å; E336-Q340 WeakPolarHBondContact O-CG 3.42Å; E336-Q340 PolarHBondContact O-N 2.9Å
337R83.1Confident74.6Confident172 Ų172101.4 Ų101.465%0.64955%0.552SS**Hα-helixtrans-62.6-40.3176.4-72.3-179.3-171.1-162.23.3112.9Q333 A335 Q340 T341Q333-R337 WeakPolarHBondContact O-CG 3.43Å; Q333-R337 PolarHBondContact O-N 3.14Å; Q333-R337 VanDerWaalsContact O-N 3.08Å; A335-R337 PolarHBondContact O-N 3.38Å; R337-Q340 PolarHBondContact O-N 3.47Å; R337-T341 PolarHBondContact O-N 3.32Å; R337-T341 VanDerWaalsContact O-N 3.12Å; R337-T341 PolarHBondContact O-OG1 3.15Å
338K81.5Confident72.4Confident156 Ų156101.4 Ų101.468%0.67857%0.57SS**Hα-helixtrans-66.7-40.7176-76.7-175.4177.6-172.70111.8R334 A335 E336 Q340 T341 T342R334-K338 WeakPolarHBondContact O-CG 3.33Å; R334-K338 PolarHBondContact O-N 2.92Å; R334-K338 VanDerWaalsContact O-N 3.08Å; A335-K338 PolarHBondContact O-N 3.02Å; E336-K338 PolarHBondContact O-N 2.79Å; K338-Q340 VanDerWaalsContact C-N 3.33Å; K338-Q340 PolarHBondContact O-N 3.04Å; K338-T341 PolarHBondContact O-N 3.01Å; K338-T342 PolarHBondContact O-N 3.46Å; K338-T342 VanDerWaalsContact O-N 3.16Å; K338-T342 PolarHBondContact O-OG1 3.39Å
339A78.4Confident70.1Confident59 Ų59107.9 Ų107.949%0.48860%0.602SS.*Hα-helixtrans-61.9-41.117600000111.8A335 E336 T341 T342 A343A335-A339 WeakPolarHBondContact O-CB 3.37Å; A335-A339 PolarHBondContact O-N 3.26Å; E336-A339 PolarHBondContact O-N 3.32Å; A339-T341 VanDerWaalsContact C-N 3.32Å; A339-T341 PolarHBondContact O-N 3.32Å; A339-T342 PolarHBondContact O-N 3.27Å; A339-A343 PolarHBondContact O-N 2.95Å
340Q74.6Confident67.6Low149 Ų149109.6 Ų109.670%0.69662%0.619SS**Hα-helixtrans-65.5-31.5174.9-71.3172.57.400113.3E336 R337 K338E336-Q340 WeakPolarHBondContact O-CG 3.42Å; E336-Q340 PolarHBondContact O-N 2.9Å; R337-Q340 PolarHBondContact O-N 3.47Å; K338-Q340 VanDerWaalsContact C-N 3.33Å; K338-Q340 PolarHBondContact O-N 3.04Å
341T69.7Low65Low121 Ų121117.5 Ų117.574%0.74265%0.652SS**Hα-helixtrans-78.2-21.3178.9-48.60000112.8R337 K338 A339R337-T341 PolarHBondContact O-N 3.32Å; R337-T341 VanDerWaalsContact O-N 3.12Å; R337-T341 PolarHBondContact O-OG1 3.15Å; K338-T341 PolarHBondContact O-N 3.01Å; A339-T341 VanDerWaalsContact C-N 3.32Å; A339-T341 PolarHBondContact O-N 3.32Å
342T63.1Low62.3Low120 Ų120116.6 Ų116.674%0.73666%0.664SS**SBendtrans-102.40.7-175.8-30.70000112.7K338 A339K338-T342 PolarHBondContact O-N 3.46Å; K338-T342 VanDerWaalsContact O-N 3.16Å; K338-T342 PolarHBondContact O-OG1 3.39Å; A339-T342 PolarHBondContact O-N 3.27Å
343A56.3Low59.7Low64 Ų64121 Ų12153%0.52969%0.688SS.*SBendtrans-73.5129.1174.100000110A339A339-A343 PolarHBondContact O-N 2.95Å
344P57.3Low56.9Low112 Ų112123.3 Ų123.373%0.72770%0.699SS**PPolyproline II helixtrans-63.1147177.825.5-31.9000110.4
345P50Low54.1Low109 Ų109121.9 Ų121.971%0.70871%0.711SS**PPolyproline II helixtrans-60.2143.7177.625.8-32.2000109.5V347P345-V347 PolarHBondContact O-N 2.99Å; P345-V347 VanDerWaalsContact O-N 3.13Å
346P47.6Very low51.3Low126 Ų126129.3 Ų129.382%0.81873%0.727SS**PPolyproline II helixtrans-58.9123.7175.423.7-30.5000108.5A348P346-A348 PolarHBondContact O-N 2.79Å
347V40.7Very low48.5Very low132 Ų132133.8 Ų133.880%0.875%0.748SS**  trans-57110.4174.9175.90000107.7P345 I349P345-V347 PolarHBondContact O-N 2.99Å; P345-V347 VanDerWaalsContact O-N 3.13Å; V347-I349 PolarHBondContact O-N 3.37Å; V347-I349 VanDerWaalsContact O-N 3.09Å
348A43Very low45.9Very low95 Ų95130.1 Ų130.179%0.78575%0.754SS**  trans-65105.9169.800000108.2P346 S350P346-A348 PolarHBondContact O-N 2.79Å; A348-S350 PolarHBondContact O-N 3.04Å
349I39Very low43.1Very low161 Ų161130.4 Ų130.483%0.82676%0.758SS**  trans-77.7113.4165.3-62.6177.2000107V347V347-I349 PolarHBondContact O-N 3.37Å; V347-I349 VanDerWaalsContact O-N 3.09Å
350S34.1Very low40.8Very low108 Ų108135.3 Ų135.376%0.75577%0.774SS**  trans-64.5144.2177.9470000113.1A348A348-S350 PolarHBondContact O-N 3.04Å
351K32.8Very low38.5Very low211 Ų211134.2 Ų134.292%0.91777%0.772SS**  trans-40.9138.2172.2-66.5172173.5178.60114.9
352A30.8Very low36.3Very low93 Ų93135 Ų13577%0.76978%0.776SS**  trans-150.4114.4144.600000111
353T28.6Very low34.5Very low140 Ų140137.3 Ų137.386%0.85978%0.779SS**  trans61.8118143.5-40.20000121
354E28.2Very low32.9Very low151 Ų151139.5 Ų139.571%0.70679%0.79SS**  trans-55.3162.5167.3-68.1-164.3150.500114
355P27.2Very low31.4Very low128 Ų128141.8 Ų141.883%0.83179%0.791SS**  -127.2143.391.811.49.1000114.4
356R26.2Very low30.2Very low209 Ų209140.5 Ų140.579%0.78979%0.785SS**  trans-43.1141.3164.9-75.6168.9150.4-176.8-8.4114.1
357E25.7Very low29.1Very low194 Ų194143.2 Ų143.291%0.90778%0.783SS**  -175.7147.7114.6-103.7173.1-178.500113.7
358A28.3Very low28.3Very low94 Ų94146.5 Ų146.578%0.77778%0.783SS**  trans75.884.815800000120.2
359E24.5Very low27.5Very low163 Ų163149.4 Ų149.476%0.76278%0.78SS**  trans-38.5127.3144.5-174173.3-152.900114.9I361E359-I361 HydrophobicContact CG-CD1 4.29Å; E359-I361 HydrophobicContact CG-CG1 4.09Å
360I29.1Very low26.9Very low161 Ų161148.2 Ų148.283%0.82678%0.775SS**  trans-134.2110.4148.1-60.2-179.1000108.1
361I25.5Very low26.5Very low127 Ų127151.1 Ų151.165%0.65177%0.774SS**  trans-77.1124.3171.2-64.7165.9000108.6E359E359-I361 HydrophobicContact CG-CD1 4.29Å; E359-I361 HydrophobicContact CG-CG1 4.09Å
362V24.6Very low26.3Very low136 Ų136149.2 Ų149.282%0.82477%0.765SS**  trans-140.7111.1146.2-178.70000108.8
363H24.5Very low26.1Very low170 Ų170154.7 Ų154.779%0.78777%0.766SS**  trans-92134.3169.2-135.1-15.1000108.4
364S24.1Very low26Very low109 Ų109154.8 Ų154.876%0.76276%0.76SS**  trans-177.7102144.9-161.10000108.3
365E24.2Very low25.8Very low160 Ų160152.7 Ų152.775%0.74876%0.762SS**  64.5113.187.2-82-130.1-171.600116.2
366S24.8Very low25.8Very low83 Ų83151.1 Ų151.158%0.5875%0.754SS**  73.4101.8122-50.50000121.4
367K24.5Very low25.8Very low182 Ų182148.6 Ų148.679%0.79176%0.755SS**  67.5157.2126.9-71.2-179179.6174.40121.3
368Y25.6Very low25.8Very low201 Ų201146 Ų14679%0.78875%0.753SS**  trans94.6104.4171.2-59.2-77.7000114.8
369H26Very low25.6Very low157 Ų157148.3 Ų148.373%0.72775%0.752SS**  109.912960.2-106.8-93.6000110.4
370L25.6Very low25.7Very low136 Ų136146.7 Ų146.771%0.71276%0.755SS**  trans96.3114.5139.9-139.274.7000121.1
371K26.4Very low25.5Very low169 Ų169145.4 Ų145.474%0.73575%0.748SS**  trans59.8115.9137.5-81.4178.6175172.60122
372K28.1Very low25.6Very low170 Ų170145.2 Ų145.274%0.73975%0.753SS**  74.6132.8103.2-141.7-177.1-172.4177.80119.9
373R26.1Very low25.8Very low208 Ų208144.2 Ų144.279%0.78575%0.749SS**  trans83.9113.8159.3-87.4-178.1175.6164.5-2.8117.2
374I27.3Very low25.9Very low142 Ų142141.4 Ų141.473%0.72875%0.749SS**  80.7132.178.3-70.4178.4000112.8
375S24Very low25.9Very low107 Ų107140.5 Ų140.575%0.74874%0.742SS**  trans71.9140.8164.356.60000116
376S26.7Very low25.9Very low95 Ų95141.7 Ų141.766%0.66475%0.748SS**  cis180152.10.140.40000106.8
377L27.2Very low25.9Very low156 Ų156142.7 Ų142.782%0.81776%0.762SS**  trans33.5122150.2-78.2119.3000119.7
378T25.7Very low25.8Very low141 Ų141139.3 Ų139.387%0.86576%0.761SS**  -173.7132.8105.59.40000111.9
379L24.3Very low25.8Very low142 Ų142139.2 Ų139.274%0.74376%0.764SS**  trans-73.6158160.2-80.9155.1000109.3
380P24.6Very low25.8Very low129 Ų129137.9 Ų137.984%0.83877%0.767SS**  -132.6164.3105.920.6-1.6000115
381I25.4Very low25.7Very low133 Ų133138.9 Ų138.968%0.68277%0.772SS**  trans-101.7136.8-162.7-91.7164.4000109.8
382V27.5Very low25.6Very low124 Ų124136 Ų13675%0.75277%0.773SS**  trans81.1153.6142.4169.60000120.2
383P30.3Very low25.4Very low114 Ų114139.7 Ų139.774%0.7478%0.782SS**  cis-128.5166.912.215.311.3000119.4
384S26.3Very low25.3Very low112 Ų112137.5 Ų137.578%0.78378%0.783SS**  trans-62154.4165.552.20000116
385S23.2Very low25.3Very low89 Ų89136.8 Ų136.862%0.62279%0.788SS**  170129.8113.9-161.30000113.2
386E23.3Very low25.5Very low185 Ų185138.4 Ų138.486%0.86479%0.787SS**  trans56.5121.3142.4-69.6166.1158.200122.5
387A24.9Very low25.4Very low105 Ų105141.1 Ų141.187%0.86879%0.793SS**  -172.5108.4113.900000112.3
388S23Very low25.4Very low110 Ų110141.2 Ų141.277%0.76979%0.789SS**  trans-82.2139.7163.154.40000111.7
389K25.1Very low25.4Very low200 Ų200141.4 Ų141.487%0.8779%0.79SS**  trans150.4127.8158.5-91.7170-173.4179.80106.7
390V26.2Very low25.6Very low129 Ų129140.3 Ų140.378%0.78279%0.789SS**  cis-161.513435.51740000109.3
391L24.1Very low25.8Very low157 Ų157139.8 Ų139.882%0.82279%0.786SS**  trans-7.8132.7143.8-142.172000114.7
392S23.6Very low26.3Very low108 Ų108140 Ų14076%0.75579%0.794SS**  163.811975.152.40000109.4
393R25.3Very low26.5Very low247 Ų247139.7 Ų139.793%0.93279%0.792SS**  trans179.8105.8130.7-134.3170.3-174.2172.81.5109.7
394M23.2Very low26.9Very low163 Ų163139 Ų13980%0.80379%0.787SS**  trans-79.8152.2159.1-75.6-177.911700109.3
395P27.2Very low27.7Very low127 Ų127138.9 Ų138.983%0.82578%0.784SS**  -120.9139.9121.7152.8000111.1
396I29.2Very low28.4Very low141 Ų141140.6 Ų140.672%0.72379%0.793SS**  trans-75.7130.9176.8-66.5161.9000108.9
397L24.2Very low29.3Very low151 Ų151139.9 Ų139.979%0.79179%0.794SS**  trans-154.7113.2146.3-139.280.9000111.8
398Q26.7Very low30.1Very low159 Ų159140.8 Ų140.874%0.74378%0.784SS**  trans55.4102148.4-69171.3-12.200119.9T400Q398-T400 PolarHBondContact O-N 2.95Å
399T26.2Very low30.9Very low144 Ų144140.8 Ų140.888%0.88378%0.781SS**  trans-56.9112.1153.445.50000111
400T27.6Very low31.8Very low119 Ų119135.7 Ų135.773%0.7378%0.776SS**  trans-88.7133.5157400000108.2Q398 V402Q398-T400 PolarHBondContact O-N 2.95Å; T400-V402 PolarHBondContact O-N 2.84Å
401P30.3Very low33Very low118 Ų118133.4 Ų133.477%0.76676%0.762SS**  trans-72.4116.9177.727.3-28.6000109T403P401-T403 VanDerWaalsContact C-N 3.34Å; P401-T403 PolarHBondContact O-N 3.29Å
402V34Very low34.2Very low139 Ų139129.3 Ų129.384%0.84276%0.758SS**  trans-70.496.6167.4178.40000107T400T400-V402 PolarHBondContact O-N 2.84Å
403T31.9Very low36Very low117 Ų117126 Ų12672%0.71874%0.741SS**PPolyproline II helixtrans-54.8125.2168-40.70000108.1P401P401-T403 VanDerWaalsContact C-N 3.34Å; P401-T403 PolarHBondContact O-N 3.29Å
404P40.5Very low37.9Very low99 Ų99118 Ų11864%0.64372%0.72SS**PPolyproline II helixtrans-60.6151.1171.225.1-31.3000109.5
405P41.4Very low40.6Very low110 Ų110111.2 Ų111.271%0.71469%0.689SS**PPolyproline II helixtrans-54.5142175.323.7-32.2000109.3L407P405-L407 PolarHBondContact O-N 2.9Å
406P38.5Very low43.4Very low125 Ų125112.1 Ų112.181%0.81268%0.679SS**PPolyproline II helixtrans-59.5119.9-179.923.1-29.9000108.4L408P406-L408 PolarHBondContact O-N 3.28Å; P406-L408 VanDerWaalsContact O-N 3.07Å
407L42.3Very low46.1Very low169 Ų169108 Ų10889%0.88566%0.659SS**PPolyproline II helixtrans-52117.6164.5-87.7125.9000107P405P405-L407 PolarHBondContact O-N 2.9Å
408L42.3Very low49.2Very low124 Ų124101 Ų10165%0.64962%0.622SS**  trans-44.9133.8163.1-78.4156.2000107.4P406 A410P406-L408 PolarHBondContact O-N 3.28Å; P406-L408 VanDerWaalsContact O-N 3.07Å; L408-A410 PolarHBondContact O-N 3.41Å
409P39.6Very low52.2Low110 Ų11098 Ų9871%0.71461%0.608SS**  trans-56.7120.1-18022.6-30.3000107.2V411P409-V411 PolarHBondContact O-N 3.43Å
410A44.4Very low55.4Low93 Ų9399.1 Ų99.177%0.76960%0.597SS**  trans-51.1110.7172.300000106.7L408 G412L408-A410 PolarHBondContact O-N 3.41Å; A410-G412 PolarHBondContact O-N 3.04Å
411V50.4Low58.5Low81 Ų8193.9 Ų93.949%0.49157%0.565SS.*  trans-74.652.2166.4-169.70000106.8K266 P409 G413K266-V411 WeakPolarHBondContact CE-O 3.44Å; K266-V411 PolarHBondContact NZ-O 2.95Å; P409-V411 PolarHBondContact O-N 3.43Å; V411-G413 PolarHBondContact O-N 3.38Å
412G50.3Low61.6Low71 Ų7191 Ų9173%0.73254%0.539SS*.  trans-79.342.7-175.600000111.8A410A410-G412 PolarHBondContact O-N 3.04Å
413G60.6Low64.4Low39 Ų3989.9 Ų89.940%0.40253%0.527SS..SBendtrans-109.7136.3169.300000109.6K266 V411 S415K266-G413 WeakPolarHBondContact CE-O 3.4Å; K266-G413 PolarHBondContact NZ-O 2.69Å; V411-G413 PolarHBondContact O-N 3.38Å; G413-S415 PolarHBondContact O-N 3.45Å
414T64.9Low67.4Low80 Ų8089.7 Ų89.749%0.49152%0.521SS..  trans-51.3136.7162.641.90000109K416T414-K416 PolarHBondContact O-N 2.89Å
415S79.9Confident70.1Confident20 Ų2086.2 Ų86.214%0.1450%0.496CS..  trans-58.6139.1174.5-176.40000108.3G413 I417 D418 Q419G413-S415 PolarHBondContact O-N 3.45Å; S415-I417 PolarHBondContact O-N 3.35Å; S415-I417 VanDerWaalsContact O-N 3.14Å; S415-I417 PolarHBondContact OG-N 2.99Å; S415-D418 VanDerWaalsContact CB-OD2 3.24Å; S415-D418 WeakPolarHBondContact CB-OD2 3.4Å; S415-D418 PolarHBondContact O-N 2.8Å; S415-D418 VanDerWaalsContact O-N 3.09Å; S415-Q419 PolarHBondContact O-N 3.08Å
416K85.3Confident72.6Confident145 Ų14583.3 Ų83.363%0.6348%0.477SS*.Hα-helixtrans-54.6-32.8172.9-71.7-70-177.4-179.90110.7T414 Q419 Y420T414-K416 PolarHBondContact O-N 2.89Å; K416-Q419 PolarHBondContact O-N 2.94Å; K416-Y420 WeakPolarHBondContact O-CD2 3.46Å; K416-Y420 PolarHBondContact O-N 3.43Å
417I87.9Confident75.4Confident56 Ų5681.9 Ų81.929%0.28747%0.466SS..Hα-helixtrans-63.1-55175.4-55.4172.4000110E320 V324 F327 S415 Q419 Y420 S421E320-I417 HydrophobicContact CG-CG2 4.1Å; E320-I417 WeakPolarHBondContact OE1-CG2 3.47Å; V324-I417 HydrophobicContact CG2-CB 3.93Å; V324-I417 HydrophobicContact CG2-CD1 4.41Å; V324-I417 HydrophobicContact CG2-CG2 3.86Å; F327-I417 HydrophobicContact CD2-CD1 3.72Å; F327-I417 HydrophobicContact CE2-CD1 4.23Å; S415-I417 PolarHBondContact O-N 3.35Å; S415-I417 VanDerWaalsContact O-N 3.14Å; S415-I417 PolarHBondContact OG-N 2.99Å; I417-Q419 PolarHBondContact O-N 3.24Å; I417-Y420 PolarHBondContact O-N 3.1Å; I417-Y420 VanDerWaalsContact O-N 3.09Å; I417-S421 PolarHBondContact O-N 3.29Å; I417-S421 PolarHBondContact O-OG 3.01Å
418D89.1Confident78Confident3 Ų376 Ų762%0.01644%0.441CS..Hα-helixtrans-55.6-37.8177.7-66.2-54.3000111.4R272 S415 S421 R422R272-D418 IonicContact CZ-OD1 2.87Å; R272-D418 IonicContact NH1-OD1 3.33Å; R272-D418 PolarHBondContact NH1-OD1 2.94Å; R272-D418 IonicContact NH1-OD2 2.82Å; R272-D418 PolarHBondContact NH1-OD2 2.82Å; R272-D418 IonicContact NH2-OD1 2.92Å; R272-D418 PolarHBondContact NH2-OD1 2.78Å; S415-D418 VanDerWaalsContact CB-OD2 3.24Å; S415-D418 WeakPolarHBondContact CB-OD2 3.4Å; S415-D418 PolarHBondContact O-N 2.8Å; S415-D418 VanDerWaalsContact O-N 3.09Å; D418-S421 PolarHBondContact O-N 3.09Å; D418-R422 WeakPolarHBondContact O-CG 3.49Å; D418-R422 PolarHBondContact O-N 2.97Å; D418-R422 VanDerWaalsContact O-N 3.08Å
419Q89.3Confident80.6Confident95 Ų9570.7 Ų70.744%0.44441%0.413SS..Hα-helixtrans-63.2-41.9179.2-171.3177.87.800112.6S415 K416 I417S415-Q419 PolarHBondContact O-N 3.08Å; K416-Q419 PolarHBondContact O-N 2.94Å; I417-Q419 PolarHBondContact O-N 3.24Å
420Y92.3Very high83.4Confident169 Ų16968.2 Ų68.266%0.66340%0.402SS*.Hα-helixtrans-73.9-41.3175.3-71.8-65.9000111.8K416 I417 R422 I423 L424K416-Y420 WeakPolarHBondContact O-CD2 3.46Å; K416-Y420 PolarHBondContact O-N 3.43Å; I417-Y420 PolarHBondContact O-N 3.1Å; I417-Y420 VanDerWaalsContact O-N 3.09Å; Y420-R422 PolarHBondContact O-N 3.04Å; Y420-I423 PolarHBondContact O-N 3.21Å; Y420-I423 VanDerWaalsContact O-N 3.08Å; Y420-L424 WeakPolarHBondContact O-CB 3.43Å; Y420-L424 PolarHBondContact O-N 2.94Å
421S93.9Very high85.9Confident9 Ų965.6 Ų65.66%0.06338%0.384CS..Hα-helixtrans-56.8-38.3179.5-580000112.1E320 I417 D418 I423 F425E320-S421 WeakPolarHBondContact CG-OG 3.39Å; E320-S421 PolarHBondContact OE1-OG 3.49Å; E320-S421 VanDerWaalsContact OE1-OG 3.07Å; I417-S421 PolarHBondContact O-N 3.29Å; I417-S421 PolarHBondContact O-OG 3.01Å; D418-S421 PolarHBondContact O-N 3.09Å; S421-I423 PolarHBondContact O-N 3.42Å; S421-F425 WeakPolarHBondContact O-CB 3.4Å; S421-F425 PolarHBondContact O-N 3.36Å
422R94.1Very high88.1Confident56 Ų5663.9 Ų63.921%0.21137%0.37CS..Hα-helixtrans-58.7-25.5177.2-76.4169.8-167.6-168.61.9114.9F262 W263 D418 Y420 P426F262-R422 HydrophobicContact CB-CG 3.86Å; F262-R422 PolarHBondContact O-NE 2.88Å; F262-R422 PolarHBondContact O-NH2 2.95Å; W263-R422 HydrophobicContact CD2-CG 4.44Å; W263-R422 HydrophobicContact CZ2-CB 4.44Å; W263-R422 HydrophobicContact CZ2-CG 4.21Å; D418-R422 WeakPolarHBondContact O-CG 3.49Å; D418-R422 PolarHBondContact O-N 2.97Å; D418-R422 VanDerWaalsContact O-N 3.08Å; Y420-R422 PolarHBondContact O-N 3.04Å; R422-P426 WeakPolarHBondContact O-CD 3.24Å; R422-P426 WeakPolarHBondContact O-CG 3.49Å
423I94.3Very high90.3Very high116 Ų11661.5 Ų61.560%0.59534%0.34SS*.Hα-helixtrans-105.4-44.7-179.4-59.8170.7000110Y420 S421 P426 V427Y420-I423 PolarHBondContact O-N 3.21Å; Y420-I423 VanDerWaalsContact O-N 3.08Å; S421-I423 PolarHBondContact O-N 3.42Å; I423-P426 WeakPolarHBondContact O-CD 3.49Å; I423-V427 HydrophobicContact CG2-CG2 4.26Å; I423-V427 WeakPolarHBondContact O-CB 3.36Å; I423-V427 WeakPolarHBondContact O-CG2 3.36Å; I423-V427 PolarHBondContact O-N 3.4Å
424L95.2Very high92Very high113 Ų11365 Ų6559%0.59235%0.349SS*.Hα-helixtrans-64.4-46-173.3-17665.6000112.4Y420 A428Y420-L424 WeakPolarHBondContact O-CB 3.43Å; Y420-L424 PolarHBondContact O-N 2.94Å; L424-A428 WeakPolarHBondContact O-CB 3.46Å; L424-A428 PolarHBondContact O-N 3.36Å
425F95.3Very high93.5Very high27 Ų2765.4 Ų65.412%0.11835%0.351CS..Hα-helixtrans-65.8-49.9-176.3-83.3-111.8000112.8Q259 F262 F313 A317 S421 V427 A428 F429Q259-F425 HydrophobicContact CG-CB 4.29Å; F262-F425 HydrophobicContact CE2-CB 3.82Å; F262-F425 HydrophobicContact CE2-CD1 4.03Å; F262-F425 AromaticContact CE2-CD2 3.99Å; F262-F425 HydrophobicContact CE2-CD2 3.99Å; F262-F425 AromaticContact CE2-CG 3.7Å; F262-F425 HydrophobicContact CE2-CG 3.7Å; F262-F425 HydrophobicContact CZ-CB 4.47Å; F262-F425 AromaticContact CZ-CD1 3.85Å; F262-F425 HydrophobicContact CZ-CD1 3.85Å; F262-F425 AromaticContact CZ-CD2 3.98Å; F262-F425 HydrophobicContact CZ-CD2 3.98Å; F262-F425 AromaticContact CZ-CE1 3.97Å; F262-F425 HydrophobicContact CZ-CE1 3.97Å; F262-F425 HydrophobicContact CZ-CE2 4.09Å; F262-F425 AromaticContact CZ-CG 3.86Å; F262-F425 HydrophobicContact CZ-CG 3.86Å; F262-F425 HydrophobicContact CZ-CZ 4.09Å; F313-F425 HydrophobicContact CD1-CD1 4.04Å; A317-F425 HydrophobicContact CB-CE1 4.4Å; S421-F425 WeakPolarHBondContact O-CB 3.4Å; S421-F425 PolarHBondContact O-N 3.36Å; F425-V427 PolarHBondContact O-N 2.92Å; F425-A428 PolarHBondContact O-N 2.96Å; F425-F429 WeakPolarHBondContact O-CB 3.43Å; F425-F429 PolarHBondContact O-N 2.91Å
426P95.9Very high94.3Very high48 Ų4864.9 Ų64.931%0.31235%0.346SS..Hα-helixtrans-60.5-43.7176.2-22.730.6000113.2R422 I423 F429 A430R422-P426 WeakPolarHBondContact O-CD 3.24Å; R422-P426 WeakPolarHBondContact O-CG 3.49Å; I423-P426 WeakPolarHBondContact O-CD 3.49Å; P426-F429 PolarHBondContact O-N 3.09Å; P426-A430 WeakPolarHBondContact O-CB 3.3Å; P426-A430 PolarHBondContact O-N 3.44Å
427V96.5Very high94.8Very high96 Ų9660.1 Ų60.158%0.58233%0.325SS*.Hα-helixtrans-65.9-44.3-179.1172.30000111.1I423 F425 F429 A430 G431I423-V427 HydrophobicContact CG2-CG2 4.26Å; I423-V427 WeakPolarHBondContact O-CB 3.36Å; I423-V427 WeakPolarHBondContact O-CG2 3.36Å; I423-V427 PolarHBondContact O-N 3.4Å; F425-V427 PolarHBondContact O-N 2.92Å; V427-F429 PolarHBondContact O-N 3.07Å; V427-A430 PolarHBondContact O-N 3.49Å; V427-G431 PolarHBondContact O-N 2.88Å
428A97Very high95.1Very high44 Ų4462.3 Ų62.336%0.36434%0.336SS..Hα-helixtrans-63-41.9176.900000111.8F313 L424 F425 G431 F432F313-A428 HydrophobicContact CE1-CB 3.98Å; F313-A428 HydrophobicContact CZ-CB 4Å; L424-A428 WeakPolarHBondContact O-CB 3.46Å; L424-A428 PolarHBondContact O-N 3.36Å; F425-A428 PolarHBondContact O-N 2.96Å; A428-G431 PolarHBondContact O-N 3.05Å; A428-F432 WeakPolarHBondContact O-CB 3.27Å; A428-F432 PolarHBondContact O-N 3.4Å
429F97.3Very high95.3Very high13 Ų1365.9 Ų65.96%0.05736%0.357CS..Hα-helixtrans-68.5-38.5178.2-173.2-116.9000112.6I252 V255 F313 F425 P426 V427 F432 N433I252-F429 HydrophobicContact CG1-CE1 4.3Å; I252-F429 HydrophobicContact CG1-CZ 4.12Å; I252-F429 HydrophobicContact CG2-CE1 4.23Å; V255-F429 HydrophobicContact CB-CE1 4.09Å; V255-F429 HydrophobicContact CB-CE2 4.29Å; V255-F429 HydrophobicContact CB-CZ 3.93Å; V255-F429 HydrophobicContact CG1-CD1 3.88Å; V255-F429 HydrophobicContact CG1-CD2 3.93Å; V255-F429 HydrophobicContact CG1-CE1 3.88Å; V255-F429 HydrophobicContact CG1-CE2 3.95Å; V255-F429 HydrophobicContact CG1-CG 3.9Å; V255-F429 HydrophobicContact CG1-CZ 3.92Å; V255-F429 HydrophobicContact CG2-CE2 4.06Å; V255-F429 HydrophobicContact CG2-CZ 3.98Å; F313-F429 AromaticContact CD2-CD2 3.8Å; F313-F429 HydrophobicContact CD2-CD2 3.8Å; F313-F429 HydrophobicContact CD2-CE2 4.46Å; F313-F429 HydrophobicContact CE1-CB 4.17Å; F313-F429 HydrophobicContact CE2-CB 4.46Å; F313-F429 AromaticContact CE2-CD2 3.87Å; F313-F429 HydrophobicContact CE2-CD2 3.87Å; F313-F429 HydrophobicContact CG-CD2 4.28Å; F313-F429 HydrophobicContact CZ-CB 4.15Å; F313-F429 HydrophobicContact CZ-CD2 4.39Å; F425-F429 WeakPolarHBondContact O-CB 3.43Å; F425-F429 PolarHBondContact O-N 2.91Å; P426-F429 PolarHBondContact O-N 3.09Å; V427-F429 PolarHBondContact O-N 3.07Å; F429-F432 HydrophobicContact CD2-CD1 4.18Å; F429-F432 HydrophobicContact CE2-CD1 4.14Å; F429-F432 PolarHBondContact O-N 2.74Å; F429-N433 VanDerWaalsContact CE1-ND2 3.3Å; F429-N433 WeakPolarHBondContact CE1-ND2 3.34Å; F429-N433 WeakPolarHBondContact CE2-ND2 3.24Å; F429-N433 WeakPolarHBondContact CZ-ND2 3.21Å; F429-N433 PolarHBondContact O-N 3.16Å; F429-N433 PolarHBondContact O-ND2 3.04Å
430A96.7Very high95.3Very high59 Ų5963.6 Ų63.649%0.48835%0.345SS..Hα-helixtrans-63.7-44.3173.800000111.6P426 V427 F432 N433 L434P426-A430 WeakPolarHBondContact O-CB 3.3Å; P426-A430 PolarHBondContact O-N 3.44Å; V427-A430 PolarHBondContact O-N 3.49Å; A430-F432 PolarHBondContact O-N 2.97Å; A430-N433 PolarHBondContact O-N 3.25Å; A430-L434 WeakPolarHBondContact O-CB 3.39Å; A430-L434 PolarHBondContact O-N 3.36Å
431G97.5Very high95.2Very high37 Ų3760.5 Ų60.538%0.38134%0.34SS..Hα-helixtrans-60.2-43.9174.500000112.4V427 A428 L434 V435V427-G431 PolarHBondContact O-N 2.88Å; A428-G431 PolarHBondContact O-N 3.05Å; G431-L434 PolarHBondContact O-N 3.01Å; G431-V435 WeakPolarHBondContact O-CG2 3.4Å; G431-V435 PolarHBondContact O-N 2.97Å
432F97.2Very high94.8Very high46 Ų4664.4 Ų64.420%0.20237%0.367CS..Hα-helixtrans-58.5-49.1173.6165.9-104.8000112.3F306 V309 A428 F429 A430 L434 V435 Y436F306-F432 AromaticContact CD2-CE1 3.69Å; F306-F432 HydrophobicContact CD2-CE1 3.69Å; F306-F432 AromaticContact CD2-CZ 3.9Å; F306-F432 HydrophobicContact CD2-CZ 3.9Å; F306-F432 AromaticContact CE2-CE1 3.76Å; F306-F432 HydrophobicContact CE2-CE1 3.76Å; F306-F432 HydrophobicContact CE2-CZ 4.42Å; V309-F432 HydrophobicContact CB-CD2 4.47Å; V309-F432 HydrophobicContact CB-CE1 4Å; V309-F432 HydrophobicContact CB-CE2 3.88Å; V309-F432 HydrophobicContact CB-CZ 3.62Å; V309-F432 HydrophobicContact CG1-CD1 3.78Å; V309-F432 HydrophobicContact CG1-CD2 3.79Å; V309-F432 HydrophobicContact CG1-CE1 3.68Å; V309-F432 HydrophobicContact CG1-CE2 3.7Å; V309-F432 HydrophobicContact CG1-CG 3.83Å; V309-F432 HydrophobicContact CG1-CZ 3.64Å; V309-F432 HydrophobicContact CG2-CD2 4.44Å; V309-F432 HydrophobicContact CG2-CE2 3.75Å; V309-F432 HydrophobicContact CG2-CZ 3.92Å; A428-F432 WeakPolarHBondContact O-CB 3.27Å; A428-F432 PolarHBondContact O-N 3.4Å; F429-F432 HydrophobicContact CD2-CD1 4.18Å; F429-F432 HydrophobicContact CE2-CD1 4.14Å; F429-F432 PolarHBondContact O-N 2.74Å; A430-F432 PolarHBondContact O-N 2.97Å; F432-L434 VanDerWaalsContact C-N 3.32Å; F432-L434 PolarHBondContact O-N 3.08Å; F432-V435 PolarHBondContact O-N 3.42Å; F432-Y436 HydrophobicContact CE2-CD2 4.5Å; F432-Y436 HydrophobicContact CZ-CD2 4.16Å; F432-Y436 HydrophobicContact CZ-CG 4.36Å; F432-Y436 VanDerWaalsContact O-CB 3.28Å; F432-Y436 WeakPolarHBondContact O-CB 3.1Å; F432-Y436 PolarHBondContact O-N 2.89Å
433N96.9Very high94.3Very high21 Ų2166.8 Ų66.811%0.11238%0.379CS..Hα-helixtrans-60.4-43.7179.3-85.2-90.3000111.4F306 F429 A430 V435 Y436 W437F306-N433 WeakPolarHBondContact CE2-OD1 3.3Å; F429-N433 VanDerWaalsContact CE1-ND2 3.3Å; F429-N433 WeakPolarHBondContact CE1-ND2 3.34Å; F429-N433 WeakPolarHBondContact CE2-ND2 3.24Å; F429-N433 WeakPolarHBondContact CZ-ND2 3.21Å; F429-N433 PolarHBondContact O-N 3.16Å; F429-N433 PolarHBondContact O-ND2 3.04Å; A430-N433 PolarHBondContact O-N 3.25Å; N433-V435 PolarHBondContact O-N 2.92Å; N433-Y436 PolarHBondContact O-N 2.94Å; N433-W437 WeakPolarHBondContact O-CB 3.49Å; N433-W437 PolarHBondContact O-N 3.33Å
434L96.4Very high93.4Very high113 Ų11369 Ų6959%0.59239%0.391SS*.Hα-helixtrans-59.2-47.8178.4-176.5142.2000111.3A430 G431 F432 I438A430-L434 WeakPolarHBondContact O-CB 3.39Å; A430-L434 PolarHBondContact O-N 3.36Å; G431-L434 PolarHBondContact O-N 3.01Å; F432-L434 VanDerWaalsContact C-N 3.32Å; F432-L434 PolarHBondContact O-N 3.08Å; L434-I438 HydrophobicContact CD2-CD1 3.58Å; L434-I438 HydrophobicContact CG-CD1 3.89Å; L434-I438 WeakPolarHBondContact O-CB 3.34Å; L434-I438 WeakPolarHBondContact O-CD1 3.44Å; L434-I438 WeakPolarHBondContact O-CG1 3.44Å; L434-I438 PolarHBondContact O-N 3.08Å; L434-I438 VanDerWaalsContact O-N 3.11Å
435V96.7Very high92.5Very high87 Ų8764.1 Ų64.153%0.52737%0.366SS..Hα-helixtrans-64-47177.4173.80000111.1G431 F432 N433 W437 I438 V439G431-V435 WeakPolarHBondContact O-CG2 3.4Å; G431-V435 PolarHBondContact O-N 2.97Å; F432-V435 PolarHBondContact O-N 3.42Å; N433-V435 PolarHBondContact O-N 2.92Å; V435-W437 PolarHBondContact O-N 3.19Å; V435-I438 PolarHBondContact O-N 3.12Å; V435-V439 HydrophobicContact CG1-CG2 4.22Å; V435-V439 WeakPolarHBondContact O-CB 3.31Å; V435-V439 VanDerWaalsContact O-CG2 3.26Å; V435-V439 WeakPolarHBondContact O-CG2 3.29Å; V435-V439 PolarHBondContact O-N 2.82Å
436Y95.8Very high91.6Very high10 Ų1065.6 Ų65.64%0.03937%0.374CS..Hα-helixtrans-56.7-52.8-179.1177.9-94000111.7M165 Y248 A302 F306 F432 N433 V439 Y440M165-Y436 HydrophobicContact CE-CE1 4.06Å; M165-Y436 WeakPolarHBondContact CE-OH 3.35Å; Y248-Y436 AromaticContact CE1-CE1 3.71Å; Y248-Y436 HydrophobicContact CE1-CE1 3.71Å; Y248-Y436 PolarHBondContact OH-OH 2.72Å; A302-Y436 PolarHBondContact O-OH 3.16Å; F306-Y436 HydrophobicContact CB-CD2 4.45Å; F306-Y436 HydrophobicContact CB-CE1 4.37Å; F306-Y436 HydrophobicContact CB-CE2 3.77Å; F306-Y436 AromaticContact CD2-CD1 3.66Å; F306-Y436 HydrophobicContact CD2-CD1 3.66Å; F306-Y436 HydrophobicContact CD2-CD2 4.05Å; F306-Y436 AromaticContact CD2-CE1 3.64Å; F306-Y436 HydrophobicContact CD2-CE1 3.64Å; F306-Y436 HydrophobicContact CD2-CE2 4.03Å; F306-Y436 AromaticContact CD2-CG 3.87Å; F306-Y436 HydrophobicContact CD2-CG 3.87Å; F306-Y436 AromaticContact CD2-CZ 3.84Å; F306-Y436 HydrophobicContact CE2-CD1 4.1Å; F306-Y436 HydrophobicContact CE2-CE1 4.32Å; F306-Y436 HydrophobicContact CE2-CG 4.48Å; F306-Y436 HydrophobicContact CG-CE1 4.28Å; F306-Y436 HydrophobicContact CG-CE2 4.38Å; F432-Y436 HydrophobicContact CE2-CD2 4.5Å; F432-Y436 HydrophobicContact CZ-CD2 4.16Å; F432-Y436 HydrophobicContact CZ-CG 4.36Å; F432-Y436 VanDerWaalsContact O-CB 3.28Å; F432-Y436 WeakPolarHBondContact O-CB 3.1Å; F432-Y436 PolarHBondContact O-N 2.89Å; N433-Y436 PolarHBondContact O-N 2.94Å; Y436-V439 PolarHBondContact O-N 3.46Å; Y436-Y440 AromaticContact CD2-CD2 3.64Å; Y436-Y440 HydrophobicContact CD2-CD2 3.64Å; Y436-Y440 AromaticContact CD2-CE2 3.64Å; Y436-Y440 HydrophobicContact CD2-CE2 3.64Å; Y436-Y440 HydrophobicContact CE1-CD2 4.39Å; Y436-Y440 AromaticContact CE2-CD2 3.46Å; Y436-Y440 HydrophobicContact CE2-CD2 3.46Å; Y436-Y440 VanDerWaalsContact CE2-CD2 3.46Å; Y436-Y440 AromaticContact CE2-CE2 3.39Å; Y436-Y440 HydrophobicContact CE2-CE2 3.39Å; Y436-Y440 HydrophobicContact CG-CD2 4.18Å; Y436-Y440 AromaticContact CZ-CD2 3.86Å; Y436-Y440 WeakPolarHBondContact O-CD2 3.49Å; Y436-Y440 PolarHBondContact O-N 3.07Å; Y436-Y440 VanDerWaalsContact O-N 3.08Å
437W95Very high90Very high45 Ų4566.1 Ų66.117%0.1737%0.373CS..Hα-helixtrans-67.6-39.9-177.3-70.1117.9000112.2M165 M240 M244 Y248 N433 V435 L441M165-W437 HydrophobicContact CE-CZ3 4.11Å; M165-W437 HydrophobicContact SD-CE3 4.31Å; M165-W437 HydrophobicContact SD-CZ3 3.98Å; M240-W437 HydrophobicContact CE-CZ3 4.06Å; M244-W437 HydrophobicContact CE-CE3 4.06Å; M244-W437 HydrophobicContact CE-CH2 3.17Å; M244-W437 HydrophobicContact CE-CZ2 3.94Å; M244-W437 HydrophobicContact CE-CZ3 3.24Å; M244-W437 HydrophobicContact SD-CH2 3.49Å; M244-W437 WeakPolarHBondContact SD-CH2 3.45Å; M244-W437 HydrophobicContact SD-CZ2 3.96Å; M244-W437 HydrophobicContact SD-CZ3 4.2Å; Y248-W437 AromaticContact CD1-CH2 3.6Å; Y248-W437 HydrophobicContact CD1-CH2 3.6Å; Y248-W437 AromaticContact CD1-CZ2 3.51Å; Y248-W437 HydrophobicContact CD1-CZ2 3.51Å; Y248-W437 AromaticContact CD2-CH2 3.89Å; Y248-W437 HydrophobicContact CD2-CH2 3.89Å; Y248-W437 HydrophobicContact CD2-CZ2 4.45Å; Y248-W437 AromaticContact CE1-CH2 3.61Å; Y248-W437 HydrophobicContact CE1-CH2 3.61Å; Y248-W437 AromaticContact CE1-CZ2 3.85Å; Y248-W437 HydrophobicContact CE1-CZ2 3.85Å; Y248-W437 AromaticContact CE2-CH2 3.9Å; Y248-W437 HydrophobicContact CE2-CH2 3.9Å; Y248-W437 AromaticContact CG-CH2 3.75Å; Y248-W437 HydrophobicContact CG-CH2 3.75Å; Y248-W437 AromaticContact CG-CZ2 3.85Å; Y248-W437 HydrophobicContact CG-CZ2 3.85Å; Y248-W437 AromaticContact CZ-CH2 3.76Å; N433-W437 WeakPolarHBondContact O-CB 3.49Å; N433-W437 PolarHBondContact O-N 3.33Å; V435-W437 PolarHBondContact O-N 3.19Å; W437-L441 HydrophobicContact CB-CD1 4.25Å; W437-L441 HydrophobicContact CE3-CD1 4.01Å; W437-L441 HydrophobicContact CE3-CG 4.17Å; W437-L441 WeakPolarHBondContact O-CB 3.31Å; W437-L441 VanDerWaalsContact O-CG 3.25Å; W437-L441 WeakPolarHBondContact O-CG 3.29Å; W437-L441 PolarHBondContact O-N 3.43Å
438I94.6Very high88Confident101 Ų10167.2 Ų67.252%0.51838%0.38SS..Hα-helixtrans-61.8-47.9176.6-71.1171.2000110.6L434 V435 S442L434-I438 HydrophobicContact CD2-CD1 3.58Å; L434-I438 HydrophobicContact CG-CD1 3.89Å; L434-I438 WeakPolarHBondContact O-CB 3.34Å; L434-I438 WeakPolarHBondContact O-CD1 3.44Å; L434-I438 WeakPolarHBondContact O-CG1 3.44Å; L434-I438 PolarHBondContact O-N 3.08Å; L434-I438 VanDerWaalsContact O-N 3.11Å; V435-I438 PolarHBondContact O-N 3.12Å; I438-S442 WeakPolarHBondContact O-CB 3.46Å; I438-S442 PolarHBondContact O-N 3.47Å; I438-S442 VanDerWaalsContact O-N 3.11Å; I438-S442 PolarHBondContact O-OG 3.45Å
439V92.8Very high85.5Confident78 Ų7868.4 Ų68.447%0.47339%0.385SS..Hα-helixtrans-64.1-45.5-176.6169.80000111.7V435 Y436 S442V435-V439 HydrophobicContact CG1-CG2 4.22Å; V435-V439 WeakPolarHBondContact O-CB 3.31Å; V435-V439 VanDerWaalsContact O-CG2 3.26Å; V435-V439 WeakPolarHBondContact O-CG2 3.29Å; V435-V439 PolarHBondContact O-N 2.82Å; Y436-V439 PolarHBondContact O-N 3.46Å; V439-S442 PolarHBondContact O-OG 3.27Å
440Y90.8Very high82.5Confident47 Ų4772.3 Ų72.318%0.18441%0.414CS..Hα-helixtrans-85.2-24.1-174.5-73.9-72.6000114.5M165 A302 Y436M165-Y440 HydrophobicContact CE-CG 4.35Å; M165-Y440 WeakPolarHBondContact SD-CB 3.48Å; M165-Y440 HydrophobicContact SD-CG 4.47Å; A302-Y440 HydrophobicContact CB-CD1 3.69Å; A302-Y440 HydrophobicContact CB-CD2 4.31Å; A302-Y440 HydrophobicContact CB-CE1 3.28Å; A302-Y440 HydrophobicContact CB-CE2 3.96Å; A302-Y440 HydrophobicContact CB-CG 4.19Å; A302-Y440 VanDerWaalsContact CB-CZ 3.42Å; Y436-Y440 AromaticContact CD2-CD2 3.64Å; Y436-Y440 HydrophobicContact CD2-CD2 3.64Å; Y436-Y440 AromaticContact CD2-CE2 3.64Å; Y436-Y440 HydrophobicContact CD2-CE2 3.64Å; Y436-Y440 HydrophobicContact CE1-CD2 4.39Å; Y436-Y440 AromaticContact CE2-CD2 3.46Å; Y436-Y440 HydrophobicContact CE2-CD2 3.46Å; Y436-Y440 VanDerWaalsContact CE2-CD2 3.46Å; Y436-Y440 AromaticContact CE2-CE2 3.39Å; Y436-Y440 HydrophobicContact CE2-CE2 3.39Å; Y436-Y440 HydrophobicContact CG-CD2 4.18Å; Y436-Y440 AromaticContact CZ-CD2 3.86Å; Y436-Y440 WeakPolarHBondContact O-CD2 3.49Å; Y436-Y440 PolarHBondContact O-N 3.07Å; Y436-Y440 VanDerWaalsContact O-N 3.08Å
441L89.4Confident79.4Confident105 Ų10575.4 Ų75.455%0.5543%0.427SS..Hα-helixtrans-87-22.4175.5-64.2174.1000113.6M165 W437 K443M165-L441 HydrophobicContact CG-CD2 4.29Å; M165-L441 HydrophobicContact SD-CD2 3.94Å; M165-L441 HydrophobicContact SD-CG 4.39Å; W437-L441 HydrophobicContact CB-CD1 4.25Å; W437-L441 HydrophobicContact CE3-CD1 4.01Å; W437-L441 HydrophobicContact CE3-CG 4.17Å; W437-L441 WeakPolarHBondContact O-CB 3.31Å; W437-L441 VanDerWaalsContact O-CG 3.25Å; W437-L441 WeakPolarHBondContact O-CG 3.29Å; W437-L441 PolarHBondContact O-N 3.43Å; L441-K443 VanDerWaalsContact C-N 3.34Å
442S86.3Confident76.3Confident91 Ų9180.4 Ų80.464%0.63645%0.45SS*.SBendtrans-82.8-11.7177.761.10000114I438 V439I438-S442 WeakPolarHBondContact O-CB 3.46Å; I438-S442 PolarHBondContact O-N 3.47Å; I438-S442 VanDerWaalsContact O-N 3.11Å; I438-S442 PolarHBondContact O-OG 3.45Å; V439-S442 PolarHBondContact O-OG 3.27Å
443K82Confident73.1Confident106 Ų10690.4 Ų90.446%0.46150%0.497SS..SBendtrans-84.5124.5-176.3-172176.5178.9-1780110N162 L441 T445N162-K443 PolarHBondContact OD1-NZ 3.48Å; L441-K443 VanDerWaalsContact C-N 3.34Å; K443-T445 HydrophobicContact CB-CG2 4.33Å; K443-T445 HydrophobicContact CD-CG2 4.42Å; K443-T445 HydrophobicContact CG-CG2 4.2Å; K443-T445 WeakPolarHBondContact O-CG2 3.3Å; K443-T445 PolarHBondContact O-N 3.34Å; K443-T445 VanDerWaalsContact O-N 3.14Å
444D75.9Confident71.9Confident161 Ų16193.9 Ų93.986%0.86152%0.516SS*.  trans-67.4110.2164.1-77.9-34.1000108.5
445T76.1Confident70.6Confident11 Ų1192.9 Ų92.97%0.06751%0.512CS..  trans-97.5-3.8-174.556.70000113.8N162 M165 G167 K443 E447N162-T445 HydrophobicContact CB-CG2 3.91Å; M165-T445 VanDerWaalsContact O-CB 3.24Å; M165-T445 WeakPolarHBondContact O-CB 3.39Å; M165-T445 WeakPolarHBondContact O-CG2 3.45Å; M165-T445 PolarHBondContact O-OG1 2.99Å; G167-T445 PolarHBondContact N-OG1 3.31Å; K443-T445 HydrophobicContact CB-CG2 4.33Å; K443-T445 HydrophobicContact CD-CG2 4.42Å; K443-T445 HydrophobicContact CG-CG2 4.2Å; K443-T445 WeakPolarHBondContact O-CG2 3.3Å; K443-T445 PolarHBondContact O-N 3.34Å; K443-T445 VanDerWaalsContact O-N 3.14Å; T445-E447 PolarHBondContact O-N 2.99Å
446M77.7Confident69.1Low58 Ų5893.2 Ų93.229%0.28651%0.512SS..BIsolated β-bridgetrans-59.8103.6174.9-73.3-58.3-59.300109.7H235 V448H235-M446 HydrophobicContact CB-CE 3.33Å; H235-M446 VanDerWaalsContact ND1-CE 3.34Å; H235-M446 WeakPolarHBondContact ND1-CE 3.41Å; M446-V448 PolarHBondContact O-N 3.13Å
447E62.3Low67.6Low60 Ų6098.1 Ų98.128%0.2854%0.539SS..  trans-67.798.2174.6-62.8-158.1145.500108.9R159 G167 A169 T445 S449R159-E447 WeakPolarHBondContact CB-OE1 3.49Å; R159-E447 WeakPolarHBondContact CB-OE2 3.37Å; R159-E447 VanDerWaalsContact CD-OE1 3.25Å; R159-E447 WeakPolarHBondContact CD-OE1 3.42Å; R159-E447 WeakPolarHBondContact CD-OE2 3.48Å; G167-E447 PolarHBondContact O-N 3.05Å; A169-E447 WeakPolarHBondContact CB-O 3.47Å; T445-E447 PolarHBondContact O-N 2.99Å; E447-S449 PolarHBondContact O-N 3.25Å
448V53.2Low65.9Low119 Ų119101.4 Ų101.472%0.72156%0.562SS**  trans-64.8117.2158.1-176.90000104.6M446 S450M446-V448 PolarHBondContact O-N 3.13Å; V448-S450 PolarHBondContact O-N 3.27Å
449S43.8Very low63.9Low68 Ų68101.5 Ų101.548%0.47657%0.565SS.*  trans-60.283.6170.1178.70000107.4E447 T451E447-S449 PolarHBondContact O-N 3.25Å; S449-T451 PolarHBondContact O-N 3.09Å
450S35.6Very low61.9Low95 Ų95103.1 Ų103.166%0.66457%0.572SS**  trans-62.9111.3166.755.20000105.1V448 V452V448-S450 PolarHBondContact O-N 3.27Å; S450-V452 PolarHBondContact O-N 3Å
451T31.7Very low59.7Low125 Ų125107.5 Ų107.577%0.76760%0.602SS**  trans-7.5115.8158.6420000112.9S449 E453S449-T451 PolarHBondContact O-N 3.09Å; T451-E453 PolarHBondContact O-N 3.36Å; T451-E453 VanDerWaalsContact O-N 3.13Å
452V32.6Very low57.2Low141 Ų141107.7 Ų107.786%0.85561%0.606SS**  trans-47.3115161.8178.10000107.7S450S450-V452 PolarHBondContact O-N 3Å
453E28.8Very low54.5Low257 Ų257109.2 Ų109.2100%1.20160%0.604SS**  trans-71.50155.1-82.6-172.9157.400109.8T451T451-E453 PolarHBondContact O-N 3.36Å; T451-E453 VanDerWaalsContact O-N 3.13Å

Retrieved 453 of 453 residues in 180.6 ms (Link to these results)

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