A0A077Z5D6_TRITR Loading...

PHO4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5D6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 310 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
1M70.8Confident89.7Confident154 Ų15485.5 Ų85.576%0.75946%0.46SS*.  01290-174.4-179-70.400106.3T5 F6M1-T5 HydrophobicContact CG-CG2 3.89Å; M1-T5 HydrophobicContact SD-CG2 4.23Å; M1-F6 HydrophobicContact CG-CB 4.24Å; M1-F6 WeakPolarHBondContact SD-CA 3.19Å; M1-F6 HydrophobicContact SD-CB 3.65Å; M1-F6 HydrophobicContact SD-CD2 3.93Å; M1-F6 HydrophobicContact SD-CG 4.3Å
2D88.2Confident90.3Very high99 Ų9988 Ų8853%0.52946%0.459SS..  trans-68.3159.3173.464.426.7000110.5A4 T5 F6D2-A4 VanDerWaalsContact C-N 3.27Å; D2-A4 PolarHBondContact O-N 3.23Å; D2-T5 PolarHBondContact O-N 3.22Å; D2-T5 WeakPolarHBondContact OD1-CA 3.4Å; D2-T5 WeakPolarHBondContact OD1-CB 3.3Å; D2-T5 PolarHBondContact OD1-N 3.09Å; D2-T5 PolarHBondContact OD1-OG1 3.1Å; D2-F6 PolarHBondContact O-N 3.29Å; D2-F6 VanDerWaalsContact O-N 3.11Å
3L89.3Confident90.8Very high120 Ų12081.8 Ų81.863%0.62843%0.426SS*.Hα-helixtrans-61.8-36.8-175.9-178.461.7000111.8F6 Q7L3-F6 PolarHBondContact O-N 2.8Å; L3-Q7 HydrophobicContact CD1-CG 4.32Å; L3-Q7 HydrophobicContact CG-CG 4.41Å; L3-Q7 WeakPolarHBondContact O-CB 3.38Å; L3-Q7 VanDerWaalsContact O-CG 3.27Å; L3-Q7 WeakPolarHBondContact O-CG 3.31Å; L3-Q7 PolarHBondContact O-N 3.47Å
4A91.7Very high91.1Very high57 Ų5780.2 Ų80.247%0.47142%0.422SS..Hα-helixtrans-65.8-42.1-178.800000112.3D2 Q7 T8D2-A4 VanDerWaalsContact C-N 3.27Å; D2-A4 PolarHBondContact O-N 3.23Å; A4-Q7 PolarHBondContact O-N 3.05Å; A4-T8 WeakPolarHBondContact O-CB 3.27Å; A4-T8 PolarHBondContact O-N 3.22Å; A4-T8 PolarHBondContact O-OG1 3.45Å
5T90.9Very high91.5Very high53 Ų5380.9 Ų80.933%0.32543%0.425SS..Hα-helixtrans-65.3-43.5174.8-59.20000110.3M1 D2 Q7 T8 Q9M1-T5 HydrophobicContact CG-CG2 3.89Å; M1-T5 HydrophobicContact SD-CG2 4.23Å; D2-T5 PolarHBondContact O-N 3.22Å; D2-T5 WeakPolarHBondContact OD1-CA 3.4Å; D2-T5 WeakPolarHBondContact OD1-CB 3.3Å; D2-T5 PolarHBondContact OD1-N 3.09Å; D2-T5 PolarHBondContact OD1-OG1 3.1Å; T5-Q7 PolarHBondContact O-N 3.41Å; T5-T8 PolarHBondContact O-N 3Å; T5-Q9 HydrophobicContact CG2-CG 4.23Å; T5-Q9 WeakPolarHBondContact O-CB 3.35Å; T5-Q9 VanDerWaalsContact O-CG 3.25Å; T5-Q9 WeakPolarHBondContact O-CG 3.33Å; T5-Q9 PolarHBondContact O-N 3.12Å
6F91.1Very high91.9Very high53 Ų5380.4 Ų80.423%0.23242%0.421CS..Hα-helixtrans-60.3-47.7177-179.6-96.9000111.8M1 D2 L3 T8 Q9 T10 E88 K89 M92M1-F6 HydrophobicContact CG-CB 4.24Å; M1-F6 WeakPolarHBondContact SD-CA 3.19Å; M1-F6 HydrophobicContact SD-CB 3.65Å; M1-F6 HydrophobicContact SD-CD2 3.93Å; M1-F6 HydrophobicContact SD-CG 4.3Å; D2-F6 PolarHBondContact O-N 3.29Å; D2-F6 VanDerWaalsContact O-N 3.11Å; L3-F6 PolarHBondContact O-N 2.8Å; F6-T8 PolarHBondContact O-N 3.36Å; F6-Q9 PolarHBondContact O-N 3.42Å; F6-T10 HydrophobicContact CD1-CG2 4.43Å; F6-T10 HydrophobicContact CD2-CG2 4.15Å; F6-T10 HydrophobicContact CE1-CG2 4.1Å; F6-T10 HydrophobicContact CE2-CG2 3.82Å; F6-T10 HydrophobicContact CG-CG2 4.46Å; F6-T10 HydrophobicContact CZ-CG2 3.79Å; F6-T10 WeakPolarHBondContact O-CB 3.33Å; F6-T10 WeakPolarHBondContact O-CG2 3.44Å; F6-T10 PolarHBondContact O-N 2.95Å; F6-T10 PolarHBondContact O-OG1 3.03Å; F6-E88 HydrophobicContact CE2-CB 4.35Å; F6-E88 HydrophobicContact CZ-CB 4.11Å; F6-K89 HydrophobicContact CE2-CB 4.27Å; F6-M92 HydrophobicContact CE1-SD 4.24Å; F6-M92 HydrophobicContact CZ-SD 3.81Å
7Q91.6Very high92.2Very high108 Ų10876.4 Ų76.451%0.50540%0.404SS..Hα-helixtrans-59.1-47.4177-74.6173.4-21.600111.5L3 A4 T5 Q9 T10 L11L3-Q7 HydrophobicContact CD1-CG 4.32Å; L3-Q7 HydrophobicContact CG-CG 4.41Å; L3-Q7 WeakPolarHBondContact O-CB 3.38Å; L3-Q7 VanDerWaalsContact O-CG 3.27Å; L3-Q7 WeakPolarHBondContact O-CG 3.31Å; L3-Q7 PolarHBondContact O-N 3.47Å; A4-Q7 PolarHBondContact O-N 3.05Å; T5-Q7 PolarHBondContact O-N 3.41Å; Q7-Q9 VanDerWaalsContact C-N 3.32Å; Q7-Q9 PolarHBondContact O-N 3.15Å; Q7-T10 PolarHBondContact O-N 3.49Å; Q7-T10 PolarHBondContact O-OG1 3.12Å; Q7-L11 WeakPolarHBondContact O-CB 3.38Å; Q7-L11 PolarHBondContact O-N 2.69Å
8T92.6Very high92.5Very high110 Ų11080 Ų8068%0.67542%0.416SS*.Hα-helixtrans-61.8-40.8178.5-55.50000111.5A4 T5 F6 T10A4-T8 WeakPolarHBondContact O-CB 3.27Å; A4-T8 PolarHBondContact O-N 3.22Å; A4-T8 PolarHBondContact O-OG1 3.45Å; T5-T8 PolarHBondContact O-N 3Å; F6-T8 PolarHBondContact O-N 3.36Å; T8-T10 VanDerWaalsContact C-N 3.33Å; T8-T10 PolarHBondContact O-N 2.86Å
9Q91.4Very high92.7Very high76 Ų7680.9 Ų80.936%0.35542%0.42SS..Hα-helixtrans-74.4-18179.9-73.3-1746.200114.6T5 F6 Q7 W12T5-Q9 HydrophobicContact CG2-CG 4.23Å; T5-Q9 WeakPolarHBondContact O-CB 3.35Å; T5-Q9 VanDerWaalsContact O-CG 3.25Å; T5-Q9 WeakPolarHBondContact O-CG 3.33Å; T5-Q9 PolarHBondContact O-N 3.12Å; F6-Q9 PolarHBondContact O-N 3.42Å; Q7-Q9 VanDerWaalsContact C-N 3.32Å; Q7-Q9 PolarHBondContact O-N 3.15Å; Q9-W12 VanDerWaalsContact O-CD1 3.25Å; Q9-W12 PolarHBondContact O-NE1 3.24Å
10T94.2Very high93Very high8 Ų878.6 Ų78.65%0.04941%0.408CS..Hα-helixtrans-113.5-11.1-175.757.60000113.7F6 Q7 T8 W12 I13 V14 K89 M92F6-T10 HydrophobicContact CD1-CG2 4.43Å; F6-T10 HydrophobicContact CD2-CG2 4.15Å; F6-T10 HydrophobicContact CE1-CG2 4.1Å; F6-T10 HydrophobicContact CE2-CG2 3.82Å; F6-T10 HydrophobicContact CG-CG2 4.46Å; F6-T10 HydrophobicContact CZ-CG2 3.79Å; F6-T10 WeakPolarHBondContact O-CB 3.33Å; F6-T10 WeakPolarHBondContact O-CG2 3.44Å; F6-T10 PolarHBondContact O-N 2.95Å; F6-T10 PolarHBondContact O-OG1 3.03Å; Q7-T10 PolarHBondContact O-N 3.49Å; Q7-T10 PolarHBondContact O-OG1 3.12Å; T8-T10 VanDerWaalsContact C-N 3.33Å; T8-T10 PolarHBondContact O-N 2.86Å; T10-W12 PolarHBondContact O-N 3.13Å; T10-I13 HydrophobicContact CG2-CD1 4.2Å; T10-I13 WeakPolarHBondContact O-CA 3.38Å; T10-I13 VanDerWaalsContact O-CB 3.26Å; T10-I13 WeakPolarHBondContact O-CB 3.42Å; T10-I13 PolarHBondContact O-N 3.31Å; T10-V14 PolarHBondContact O-N 3.02Å; T10-K89 HydrophobicContact CG2-CB 4.49Å; T10-K89 HydrophobicContact CG2-CD 4.47Å; T10-K89 HydrophobicContact CG2-CG 4.18Å; T10-M92 HydrophobicContact CG2-CE 4.29Å; T10-M92 HydrophobicContact CG2-SD 3.88Å
11L95.3Very high93.1Very high102 Ų10276.6 Ų76.653%0.53440%0.403SS..Hα-helixtrans-53.6-40.5-179.4-179.962.2000112.8Q7 I13 V14 I15Q7-L11 WeakPolarHBondContact O-CB 3.38Å; Q7-L11 PolarHBondContact O-N 2.69Å; L11-I13 VanDerWaalsContact C-N 3.27Å; L11-I13 PolarHBondContact O-N 3.24Å; L11-V14 WeakPolarHBondContact O-CB 3.3Å; L11-V14 PolarHBondContact O-N 3.41Å; L11-V14 VanDerWaalsContact O-N 3.16Å; L11-I15 HydrophobicContact CD1-CD1 4.3Å; L11-I15 HydrophobicContact CD1-CG1 4.43Å; L11-I15 HydrophobicContact CD2-CD1 4.46Å; L11-I15 HydrophobicContact CG-CD1 3.91Å; L11-I15 HydrophobicContact CG-CG1 4.46Å; L11-I15 WeakPolarHBondContact O-CG1 3.46Å; L11-I15 PolarHBondContact O-N 3.05Å
12W96.4Very high94.3Very high116 Ų11675.2 Ų75.244%0.43940%0.398SS..Hα-helixtrans-61.9-34.517770.6-92.8000112.3Q9 T10 V14 I15 I16 L96Q9-W12 VanDerWaalsContact O-CD1 3.25Å; Q9-W12 PolarHBondContact O-NE1 3.24Å; T10-W12 PolarHBondContact O-N 3.13Å; W12-V14 VanDerWaalsContact C-N 3.3Å; W12-V14 PolarHBondContact O-N 3.03Å; W12-I15 PolarHBondContact O-N 3.38Å; W12-I16 HydrophobicContact CE3-CD1 3.72Å; W12-I16 HydrophobicContact CE3-CG1 4.49Å; W12-I16 HydrophobicContact CZ3-CD1 4.14Å; W12-I16 WeakPolarHBondContact O-CB 2.99Å; W12-I16 VanDerWaalsContact O-CG1 3.29Å; W12-I16 WeakPolarHBondContact O-CG1 3.42Å; W12-I16 PolarHBondContact O-N 3.11Å; W12-L96 HydrophobicContact CZ3-CD2 4.04Å
13I96.8Very high94.7Very high7 Ų775.7 Ų75.74%0.03640%0.4CS..Hα-helixtrans-63.9-42177.1-56171000109.3T10 L11 G17 K89 M92 I93 L96T10-I13 HydrophobicContact CG2-CD1 4.2Å; T10-I13 WeakPolarHBondContact O-CA 3.38Å; T10-I13 VanDerWaalsContact O-CB 3.26Å; T10-I13 WeakPolarHBondContact O-CB 3.42Å; T10-I13 PolarHBondContact O-N 3.31Å; L11-I13 VanDerWaalsContact C-N 3.27Å; L11-I13 PolarHBondContact O-N 3.24Å; I13-G17 WeakPolarHBondContact O-CA 3.36Å; I13-G17 PolarHBondContact O-N 3.15Å; I13-K89 HydrophobicContact CD1-CG 4.3Å; I13-M92 HydrophobicContact CB-CE 4.34Å; I13-M92 HydrophobicContact CD1-CB 4.11Å; I13-M92 HydrophobicContact CG2-CB 4.08Å; I13-M92 HydrophobicContact CG2-CE 4.41Å; I13-I93 HydrophobicContact CD1-CD1 4.45Å; I13-I93 HydrophobicContact CD1-CG1 3.78Å; I13-I93 HydrophobicContact CG1-CG1 4.48Å; I13-L96 HydrophobicContact CG2-CB 4.2Å; I13-L96 HydrophobicContact CG2-CD2 4.19Å
14V95.7Very high95Very high60 Ų6070.7 Ų70.736%0.36437%0.374SS..Hα-helixtrans-65.5-48.3178.3178.70000110.4T10 L11 W12 G17 F18 M92T10-V14 PolarHBondContact O-N 3.02Å; L11-V14 WeakPolarHBondContact O-CB 3.3Å; L11-V14 PolarHBondContact O-N 3.41Å; L11-V14 VanDerWaalsContact O-N 3.16Å; W12-V14 VanDerWaalsContact C-N 3.3Å; W12-V14 PolarHBondContact O-N 3.03Å; V14-G17 PolarHBondContact O-N 3.39Å; V14-F18 HydrophobicContact CG1-CD2 3.74Å; V14-F18 HydrophobicContact CG1-CE2 3.58Å; V14-F18 VanDerWaalsContact O-CD2 3.23Å; V14-F18 WeakPolarHBondContact O-CD2 3.5Å; V14-F18 PolarHBondContact O-N 2.95Å; V14-M92 HydrophobicContact CG2-CE 3.96Å
15I97.2Very high95.1Very high91 Ų9171.8 Ų71.847%0.46738%0.378SS..Hα-helixtrans-60.3-51179.8-66.2168.7000111L11 W12 G17 F18 I19L11-I15 HydrophobicContact CD1-CD1 4.3Å; L11-I15 HydrophobicContact CD1-CG1 4.43Å; L11-I15 HydrophobicContact CD2-CD1 4.46Å; L11-I15 HydrophobicContact CG-CD1 3.91Å; L11-I15 HydrophobicContact CG-CG1 4.46Å; L11-I15 WeakPolarHBondContact O-CG1 3.46Å; L11-I15 PolarHBondContact O-N 3.05Å; W12-I15 PolarHBondContact O-N 3.38Å; I15-G17 VanDerWaalsContact C-N 3.31Å; I15-G17 PolarHBondContact O-N 3.48Å; I15-F18 PolarHBondContact O-N 3.13Å; I15-I19 HydrophobicContact CG2-CD1 4.33Å; I15-I19 WeakPolarHBondContact O-CG1 3.21Å; I15-I19 PolarHBondContact O-N 3.25Å
16I97.3Very high95.3Very high72 Ų7277.7 Ų77.737%0.36940%0.396SS..Hα-helixtrans-65.3-39.6178-61.6-178.4000110.1W12 F18 I19 I20 L96W12-I16 HydrophobicContact CE3-CD1 3.72Å; W12-I16 HydrophobicContact CE3-CG1 4.49Å; W12-I16 HydrophobicContact CZ3-CD1 4.14Å; W12-I16 WeakPolarHBondContact O-CB 2.99Å; W12-I16 VanDerWaalsContact O-CG1 3.29Å; W12-I16 WeakPolarHBondContact O-CG1 3.42Å; W12-I16 PolarHBondContact O-N 3.11Å; I16-F18 VanDerWaalsContact C-N 3.33Å; I16-F18 PolarHBondContact O-N 3.41Å; I16-I19 PolarHBondContact O-N 3.37Å; I16-I19 VanDerWaalsContact O-N 3.13Å; I16-I20 HydrophobicContact CG2-CD1 3.75Å; I16-I20 HydrophobicContact CG2-CG1 4.09Å; I16-I20 WeakPolarHBondContact O-CG1 3.33Å; I16-I20 PolarHBondContact O-N 3.4Å; I16-L96 HydrophobicContact CB-CD1 4.43Å; I16-L96 HydrophobicContact CG2-CD1 4.05Å; I16-L96 HydrophobicContact CG2-CD2 4.37Å
17G97.4Very high95.5Very high12 Ų1275.2 Ų75.212%0.12439%0.385CS..Hα-helixtrans-56.5-43.9175.900000112.7I13 V14 I15 I20 A21 L96I13-G17 WeakPolarHBondContact O-CA 3.36Å; I13-G17 PolarHBondContact O-N 3.15Å; V14-G17 PolarHBondContact O-N 3.39Å; I15-G17 VanDerWaalsContact C-N 3.31Å; I15-G17 PolarHBondContact O-N 3.48Å; G17-I20 PolarHBondContact O-N 2.99Å; G17-A21 WeakPolarHBondContact O-CB 3.19Å; G17-A21 PolarHBondContact O-N 3.38Å; G17-L96 VanDerWaalsContact CA-CD1 3.47Å
18F96.7Very high95.6Very high142 Ų14273 Ų7362%0.62338%0.376SS*.Hα-helixtrans-61.8-44.7173.8-88.7-71.1000112.4V14 I15 I16 A21 L22V14-F18 HydrophobicContact CG1-CD2 3.74Å; V14-F18 HydrophobicContact CG1-CE2 3.58Å; V14-F18 VanDerWaalsContact O-CD2 3.23Å; V14-F18 WeakPolarHBondContact O-CD2 3.5Å; V14-F18 PolarHBondContact O-N 2.95Å; I15-F18 PolarHBondContact O-N 3.13Å; I16-F18 VanDerWaalsContact C-N 3.33Å; I16-F18 PolarHBondContact O-N 3.41Å; F18-A21 PolarHBondContact O-N 3.15Å; F18-L22 WeakPolarHBondContact O-CG 3.29Å; F18-L22 PolarHBondContact O-N 3.07Å
19I97.6Very high95.7Very high97 Ų9769.4 Ų69.450%0.49736%0.361SS..Hα-helixtrans-62.1-47.8178.8-64.8167.4000110.5I15 I16 A21 L22 L23I15-I19 HydrophobicContact CG2-CD1 4.33Å; I15-I19 WeakPolarHBondContact O-CG1 3.21Å; I15-I19 PolarHBondContact O-N 3.25Å; I16-I19 PolarHBondContact O-N 3.37Å; I16-I19 VanDerWaalsContact O-N 3.13Å; I19-A21 VanDerWaalsContact C-N 3.34Å; I19-A21 PolarHBondContact O-N 3.05Å; I19-L22 PolarHBondContact O-N 3.15Å; I19-L23 WeakPolarHBondContact O-CG 3.34Å; I19-L23 PolarHBondContact O-N 3.47Å; I19-L23 VanDerWaalsContact O-N 3.16Å
20I97.2Very high95.8Very high34 Ų3467.9 Ų67.917%0.17436%0.361CS..Hα-helixtrans-66.9-37.4179.2-62.5-178.1000110.9I16 G17 L22 L23 L24 L96 L99 A100I16-I20 HydrophobicContact CG2-CD1 3.75Å; I16-I20 HydrophobicContact CG2-CG1 4.09Å; I16-I20 WeakPolarHBondContact O-CG1 3.33Å; I16-I20 PolarHBondContact O-N 3.4Å; G17-I20 PolarHBondContact O-N 2.99Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 2.99Å; I20-L23 PolarHBondContact O-N 3.42Å; I20-L24 WeakPolarHBondContact O-CB 3.5Å; I20-L24 PolarHBondContact O-N 3.46Å; I20-L96 HydrophobicContact CD1-CD1 3.86Å; I20-L99 HydrophobicContact CB-CB 4.45Å; I20-L99 HydrophobicContact CG2-CB 3.66Å; I20-A100 HydrophobicContact CD1-CB 4.09Å; I20-A100 HydrophobicContact CG2-CB 4.4Å
21A96.2Very high95.7Very high37 Ų3768 Ų6831%0.30636%0.362SS..Hα-helixtrans-62.1-38.2175.700000112.2G17 F18 I19 L24 S25 L99G17-A21 WeakPolarHBondContact O-CB 3.19Å; G17-A21 PolarHBondContact O-N 3.38Å; F18-A21 PolarHBondContact O-N 3.15Å; I19-A21 VanDerWaalsContact C-N 3.34Å; I19-A21 PolarHBondContact O-N 3.05Å; A21-L24 PolarHBondContact O-N 2.86Å; A21-S25 VanDerWaalsContact O-CB 3.3Å; A21-S25 WeakPolarHBondContact O-CB 3.39Å; A21-S25 PolarHBondContact O-N 3.39Å; A21-L99 HydrophobicContact CB-CD1 4.41Å
22L96Very high95.6Very high126 Ų12665.4 Ų65.466%0.6635%0.348SS*.Hα-helixtrans-64.1-43.7173.5-70.8172000111.7F18 I19 I20 S25 Y26F18-L22 WeakPolarHBondContact O-CG 3.29Å; F18-L22 PolarHBondContact O-N 3.07Å; I19-L22 PolarHBondContact O-N 3.15Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 2.99Å; L22-S25 PolarHBondContact O-N 3.32Å; L22-Y26 PolarHBondContact O-N 3.44Å
23L96.1Very high95.3Very high108 Ų10861.5 Ų61.557%0.56534%0.337SS*.Hα-helixtrans-64.3-42.4176.2-67.1174.2000111.9I19 I20 Y26 A27I19-L23 WeakPolarHBondContact O-CG 3.34Å; I19-L23 PolarHBondContact O-N 3.47Å; I19-L23 VanDerWaalsContact O-N 3.16Å; I20-L23 PolarHBondContact O-N 3.42Å; L23-Y26 WeakPolarHBondContact O-CB 3.49Å; L23-Y26 PolarHBondContact O-N 3.22Å; L23-A27 WeakPolarHBondContact O-CB 3.27Å; L23-A27 PolarHBondContact O-N 3Å
24L95.8Very high95Very high15 Ų1564.3 Ų64.38%0.07936%0.361CS..Hα-helixtrans-62.9-45.2175.217260.6000111.1I20 A21 Y26 A27 I28 L99 C102 L106I20-L24 WeakPolarHBondContact O-CB 3.5Å; I20-L24 PolarHBondContact O-N 3.46Å; A21-L24 PolarHBondContact O-N 2.86Å; L24-Y26 VanDerWaalsContact C-N 3.3Å; L24-Y26 PolarHBondContact O-N 3.37Å; L24-A27 PolarHBondContact O-N 3.11Å; L24-A27 VanDerWaalsContact O-N 3.14Å; L24-I28 HydrophobicContact CD1-CD1 3.87Å; L24-I28 HydrophobicContact CD1-CG1 3.99Å; L24-I28 HydrophobicContact CG-CD1 3.86Å; L24-I28 HydrophobicContact CG-CG1 4.42Å; L24-I28 VanDerWaalsContact O-CG1 3.32Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 2.93Å; L24-L99 HydrophobicContact CD2-CD2 3.58Å; L24-C102 HydrophobicContact CD1-CB 4.2Å; L24-L106 HydrophobicContact CD1-CD1 3.74Å
25S94.7Very high94.8Very high80 Ų8066.2 Ų66.256%0.55937%0.37SS*.Hα-helixtrans-59.5-42176.6177.40000111.7A21 L22 I28 G29A21-S25 VanDerWaalsContact O-CB 3.3Å; A21-S25 WeakPolarHBondContact O-CB 3.39Å; A21-S25 PolarHBondContact O-N 3.39Å; L22-S25 PolarHBondContact O-N 3.32Å; S25-I28 PolarHBondContact O-N 3.45Å; S25-G29 PolarHBondContact O-N 2.87Å
26Y94.2Very high94.6Very high177 Ų17766 Ų6669%0.69437%0.37SS*.Hα-helixtrans-60.4-47172.1173.3-95000112.1L22 L23 L24 I28 G29 A30L22-Y26 PolarHBondContact O-N 3.44Å; L23-Y26 WeakPolarHBondContact O-CB 3.49Å; L23-Y26 PolarHBondContact O-N 3.22Å; L24-Y26 VanDerWaalsContact C-N 3.3Å; L24-Y26 PolarHBondContact O-N 3.37Å; Y26-I28 PolarHBondContact O-N 3.33Å; Y26-G29 PolarHBondContact O-N 2.88Å; Y26-A30 WeakPolarHBondContact O-CB 3.33Å; Y26-A30 PolarHBondContact O-N 3.11Å
27A95.3Very high94.4Very high2 Ų264 Ų642%0.01736%0.358CS..Hα-helixtrans-63.8-39.8-18000000112.7L23 L24 A30 N31 L106L23-A27 WeakPolarHBondContact O-CB 3.27Å; L23-A27 PolarHBondContact O-N 3Å; L24-A27 PolarHBondContact O-N 3.11Å; L24-A27 VanDerWaalsContact O-N 3.14Å; A27-A30 PolarHBondContact O-N 3.47Å; A27-N31 PolarHBondContact O-N 3.19Å; A27-L106 HydrophobicContact CB-CB 3.91Å
28I94.3Very high94.2Very high62 Ų6265.2 Ų65.232%0.31837%0.371SS..Hα-helixtrans-60.9-52.8173.8-68.6166.4000109.8L24 S25 Y26 A30 N31 D32 L106L24-I28 HydrophobicContact CD1-CD1 3.87Å; L24-I28 HydrophobicContact CD1-CG1 3.99Å; L24-I28 HydrophobicContact CG-CD1 3.86Å; L24-I28 HydrophobicContact CG-CG1 4.42Å; L24-I28 VanDerWaalsContact O-CG1 3.32Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 2.93Å; S25-I28 PolarHBondContact O-N 3.45Å; Y26-I28 PolarHBondContact O-N 3.33Å; I28-A30 VanDerWaalsContact C-N 3.27Å; I28-A30 PolarHBondContact O-N 3.48Å; I28-N31 PolarHBondContact O-N 2.89Å; I28-N31 VanDerWaalsContact O-N 3.16Å; I28-D32 WeakPolarHBondContact O-CB 3.49Å; I28-D32 PolarHBondContact O-N 2.99Å; I28-L106 HydrophobicContact CD1-CD1 4.44Å; I28-L106 HydrophobicContact CG1-CD1 3.49Å; I28-L106 VanDerWaalsContact CG1-CD1 3.49Å
29G93.9Very high94.1Very high34 Ų3463.6 Ų63.635%0.35137%0.373SS..Hα-helixtrans-58-40.5179.400000112.6S25 Y26 T33S25-G29 PolarHBondContact O-N 2.87Å; Y26-G29 PolarHBondContact O-N 2.88Å; G29-T33 WeakPolarHBondContact O-CB 3.41Å; G29-T33 PolarHBondContact O-N 3.17Å; G29-T33 VanDerWaalsContact O-N 3.15Å; G29-T33 PolarHBondContact O-OG1 3.44Å
30A93Very high94Very high44 Ų4460.8 Ų60.836%0.36436%0.362SS..Hα-helixtrans-66.9-36.6178.500000113.4Y26 A27 I28 T110Y26-A30 WeakPolarHBondContact O-CB 3.33Å; Y26-A30 PolarHBondContact O-N 3.11Å; A27-A30 PolarHBondContact O-N 3.47Å; I28-A30 VanDerWaalsContact C-N 3.27Å; I28-A30 PolarHBondContact O-N 3.48Å; A30-T110 HydrophobicContact CB-CG2 3.86Å
31N94Very high93.9Very high11 Ų1161 Ų616%0.05936%0.364CS..Hα-helixtrans-76.6-42177.5-153.5-98.8000112A27 I28 T110 L114 V116A27-N31 PolarHBondContact O-N 3.19Å; I28-N31 PolarHBondContact O-N 2.89Å; I28-N31 VanDerWaalsContact O-N 3.16Å; N31-T110 PolarHBondContact ND2-OG1 2.95Å; N31-L114 PolarHBondContact ND2-O 3.48Å; N31-V116 PolarHBondContact OD1-N 3.45Å; N31-V116 PolarHBondContact OD1-O 2.87Å; N31-V116 VanDerWaalsContact OD1-O 3.07Å
32D92.7Very high93.9Very high46 Ų4662.1 Ų62.125%0.24638%0.38CS..Hα-helixtrans-89.5-17-167-72.7-11.1000114.5I28 A34 N35I28-D32 WeakPolarHBondContact O-CB 3.49Å; I28-D32 PolarHBondContact O-N 2.99Å; D32-A34 PolarHBondContact O-N 2.9Å; D32-A34 VanDerWaalsContact O-N 3.08Å; D32-N35 VanDerWaalsContact O-CB 3.24Å; D32-N35 WeakPolarHBondContact O-CB 3.45Å; D32-N35 PolarHBondContact O-N 3.36Å; D32-N35 PolarHBondContact OD1-ND2 3.33Å
33T90.5Very high93.8Very high34 Ų3459 Ų5921%0.20937%0.369CS..Hα-helixtrans-55-33.9179.7-66.90000112.3G29 N35 N36 F37 Y52G29-T33 WeakPolarHBondContact O-CB 3.41Å; G29-T33 PolarHBondContact O-N 3.17Å; G29-T33 VanDerWaalsContact O-N 3.15Å; G29-T33 PolarHBondContact O-OG1 3.44Å; T33-N35 VanDerWaalsContact C-N 3.26Å; T33-N35 PolarHBondContact O-N 3.03Å; T33-N36 PolarHBondContact O-N 3.44Å; T33-F37 HydrophobicContact CG2-CD2 4.02Å; T33-F37 PolarHBondContact O-N 3.25Å; T33-F37 VanDerWaalsContact O-N 3.1Å; T33-Y52 HydrophobicContact CG2-CD1 4.18Å; T33-Y52 HydrophobicContact CG2-CE1 4.19Å
34A89.4Confident93.8Very high66 Ų6662.3 Ų62.355%0.54538%0.378SS..Hα-helixtrans-64.7-29.217800000112.9D32 N36 G38D32-A34 PolarHBondContact O-N 2.9Å; D32-A34 VanDerWaalsContact O-N 3.08Å; A34-N36 VanDerWaalsContact C-N 3.34Å; A34-N36 PolarHBondContact O-N 3.46Å; A34-G38 WeakPolarHBondContact O-CA 3.41Å; A34-G38 PolarHBondContact O-N 2.91Å
35N92.5Very high93.7Very high101 Ų10164.9 Ų64.954%0.5440%0.402SS..Hα-helixtrans-65.8-38.7-179.1-57.6-22.5000111.2D32 T33D32-N35 VanDerWaalsContact O-CB 3.24Å; D32-N35 WeakPolarHBondContact O-CB 3.45Å; D32-N35 PolarHBondContact O-N 3.36Å; D32-N35 PolarHBondContact OD1-ND2 3.33Å; T33-N35 VanDerWaalsContact C-N 3.26Å; T33-N35 PolarHBondContact O-N 3.03Å
36N92Very high93.6Very high87 Ų8763 Ų6347%0.46539%0.386SS..Hα-helixtrans-91.8-36.8-175.3-65.8-27.8000113.1T33 A34 E59T33-N36 PolarHBondContact O-N 3.44Å; A34-N36 VanDerWaalsContact C-N 3.34Å; A34-N36 PolarHBondContact O-N 3.46Å; N36-E59 PolarHBondContact ND2-OE1 3.41Å
37F94Very high93.7Very high28 Ų2857.5 Ų57.512%0.12337%0.37CS..Hα-helixtrans-109.5-6-173.3-61.8-77.4000114.3T33 T39 S40 V41 L46 A51 L54 G55T33-F37 HydrophobicContact CG2-CD2 4.02Å; T33-F37 PolarHBondContact O-N 3.25Å; T33-F37 VanDerWaalsContact O-N 3.1Å; F37-T39 VanDerWaalsContact C-N 3.33Å; F37-T39 PolarHBondContact O-N 2.86Å; F37-S40 PolarHBondContact O-N 3.36Å; F37-V41 HydrophobicContact CB-CG2 4.28Å; F37-V41 WeakPolarHBondContact O-CB 3.35Å; F37-V41 WeakPolarHBondContact O-CG2 3.26Å; F37-V41 PolarHBondContact O-N 3.09Å; F37-L46 HydrophobicContact CD1-CD1 4.08Å; F37-L46 HydrophobicContact CE1-CD1 4.42Å; F37-A51 HydrophobicContact CB-CB 3.74Å; F37-A51 HydrophobicContact CD1-CB 3.86Å; F37-A51 HydrophobicContact CD2-CB 4.46Å; F37-A51 HydrophobicContact CG-CB 3.75Å; F37-L54 HydrophobicContact CE1-CB 3.76Å; F37-L54 HydrophobicContact CE1-CD1 4.34Å; F37-L54 HydrophobicContact CZ-CB 3.81Å; F37-G55 VanDerWaalsContact CZ-N 3.32Å
38G92.9Very high93.7Very high38 Ų3862.2 Ų62.239%0.39240%0.395SS..Hα-helixtrans-56.5-43.4-177.400000113.2A34 G42A34-G38 WeakPolarHBondContact O-CA 3.41Å; A34-G38 PolarHBondContact O-N 2.91Å; G38-G42 WeakPolarHBondContact O-CA 3.36Å; G38-G42 PolarHBondContact O-N 3.36Å
39T93.6Very high93.7Very high109 Ų10968.7 Ų68.767%0.66942%0.415SS*.Hα-helixtrans-70-41.1177.5550000112.7F37 S43F37-T39 VanDerWaalsContact C-N 3.33Å; F37-T39 PolarHBondContact O-N 2.86Å; T39-S43 VanDerWaalsContact O-CB 3.28Å; T39-S43 WeakPolarHBondContact O-CB 3.33Å; T39-S43 PolarHBondContact O-N 3.4Å; T39-S43 PolarHBondContact O-OG 3.47Å
40S95.2Very high93.9Very high37 Ų3771.5 Ų71.526%0.25942%0.419SS..Hα-helixtrans-72.9-37-177.9-64.90000112.6F37 S43 A45 L46F37-S40 PolarHBondContact O-N 3.36Å; S40-S43 PolarHBondContact O-OG 3.41Å; S40-A45 WeakPolarHBondContact O-CB 3.32Å; S40-A45 PolarHBondContact O-N 2.79Å; S40-L46 PolarHBondContact O-N 3.39Å
41V96Very high94Very high38 Ų3869.5 Ų69.523%0.2340%0.403CS..Hα-helixtrans-75.5-42.3173.6175.90000110.4F37 S43 K44 L46 L48 A51F37-V41 HydrophobicContact CB-CG2 4.28Å; F37-V41 WeakPolarHBondContact O-CB 3.35Å; F37-V41 WeakPolarHBondContact O-CG2 3.26Å; F37-V41 PolarHBondContact O-N 3.09Å; V41-S43 VanDerWaalsContact C-N 3.32Å; V41-S43 PolarHBondContact O-N 3.36Å; V41-K44 WeakPolarHBondContact O-CA 3.23Å; V41-K44 PolarHBondContact O-N 2.95Å; V41-L46 HydrophobicContact CG2-CB 4.49Å; V41-L48 HydrophobicContact CG1-CD2 3.73Å; V41-L48 HydrophobicContact CG1-CG 4.05Å; V41-L48 HydrophobicContact CG2-CD2 4.43Å; V41-A51 HydrophobicContact CG2-CB 3.63Å
42G95Very high93.9Very high61 Ų6175.3 Ų75.363%0.62943%0.425SS*.Hα-helixtrans-61.1-37.5177.900000113.4G38 K44G38-G42 WeakPolarHBondContact O-CA 3.36Å; G38-G42 PolarHBondContact O-N 3.36Å; G42-K44 PolarHBondContact O-N 3.18Å
43S95.8Very high94.1Very high62 Ų6277.6 Ų77.643%0.43444%0.436SS..THydrogen-bonded Turntrans-78.8-1.7173.560.10000114.3T39 S40 V41 A45T39-S43 VanDerWaalsContact O-CB 3.28Å; T39-S43 WeakPolarHBondContact O-CB 3.33Å; T39-S43 PolarHBondContact O-N 3.4Å; T39-S43 PolarHBondContact O-OG 3.47Å; S40-S43 PolarHBondContact O-OG 3.41Å; V41-S43 VanDerWaalsContact C-N 3.32Å; V41-S43 PolarHBondContact O-N 3.36Å; S43-A45 PolarHBondContact O-N 3.23Å
44K94.4Very high94.2Very high176 Ų17679 Ų7977%0.76544%0.442SS*.THydrogen-bonded Turntrans60.617.8-173.2-51.8178-178.3174.50114.2V41 G42 L46V41-K44 WeakPolarHBondContact O-CA 3.23Å; V41-K44 PolarHBondContact O-N 2.95Å; G42-K44 PolarHBondContact O-N 3.18Å; K44-L46 VanDerWaalsContact C-N 3.27Å
45A93.8Very high94.4Very high70 Ų7076.1 Ų76.158%0.57942%0.419SS*.SBendtrans-68-31.3172.400000111.5S40 S43S40-A45 WeakPolarHBondContact O-CB 3.32Å; S40-A45 PolarHBondContact O-N 2.79Å; S43-A45 PolarHBondContact O-N 3.23Å
46L94.2Very high94.5Very high41 Ų4175.8 Ų75.822%0.21542%0.42CS..SBendtrans-126.9145.9173.6-65.9177.2000111F37 S40 V41 K44 Q50 L54F37-L46 HydrophobicContact CD1-CD1 4.08Å; F37-L46 HydrophobicContact CE1-CD1 4.42Å; S40-L46 PolarHBondContact O-N 3.39Å; V41-L46 HydrophobicContact CG2-CB 4.49Å; K44-L46 VanDerWaalsContact C-N 3.27Å; L46-Q50 HydrophobicContact CB-CB 4.48Å; L46-Q50 HydrophobicContact CD2-CB 4.21Å; L46-L54 HydrophobicContact CD1-CD1 3.83Å; L46-L54 HydrophobicContact CD2-CD1 4.24Å
47T95.8Very high94.7Very high60 Ų6074.9 Ų74.937%0.36842%0.42SS..  trans-76.8156.7164.362.90000110.4R49 Q50 A51T47-R49 PolarHBondContact O-N 3Å; T47-Q50 PolarHBondContact O-N 2.73Å; T47-Q50 VanDerWaalsContact O-N 3.08Å; T47-Q50 VanDerWaalsContact OG1-CD 3.32Å; T47-Q50 VanDerWaalsContact OG1-CG 3.27Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.33Å; T47-Q50 PolarHBondContact OG1-N 3.17Å; T47-Q50 PolarHBondContact OG1-OE1 3.24Å; T47-A51 PolarHBondContact O-N 3.15Å
48L94.6Very high94.6Very high102 Ų10280 Ų8053%0.53444%0.443SS..Hα-helixtrans-53.7-41.6174.7-76.1170.1000112.3V41 Q50 A51 Y52V41-L48 HydrophobicContact CG1-CD2 3.73Å; V41-L48 HydrophobicContact CG1-CG 4.05Å; V41-L48 HydrophobicContact CG2-CD2 4.43Å; L48-Q50 PolarHBondContact O-N 3.44Å; L48-A51 WeakPolarHBondContact O-CB 3.4Å; L48-A51 PolarHBondContact O-N 2.92Å; L48-Y52 HydrophobicContact CB-CE2 4.36Å; L48-Y52 WeakPolarHBondContact O-CD2 3.19Å; L48-Y52 PolarHBondContact O-N 2.72Å
49R95.7Very high94.7Very high198 Ų19882.4 Ų82.475%0.74744%0.444SS*.Hα-helixtrans-63.1-41.2178.5-170.2178.3-178.5-148.70.3112.2T47 Y52 I53T47-R49 PolarHBondContact O-N 3Å; R49-Y52 PolarHBondContact O-N 3.33Å; R49-I53 HydrophobicContact CG-CD1 4.25Å; R49-I53 WeakPolarHBondContact O-CG1 3.46Å; R49-I53 PolarHBondContact O-N 2.87Å
50Q96.4Very high94.7Very high93 Ų9381.2 Ų81.244%0.43544%0.436SS..Hα-helixtrans-65.7-42.5175.7-73.5165.1-41.600111.3L46 T47 L48 Y52 I53 L54L46-Q50 HydrophobicContact CB-CB 4.48Å; L46-Q50 HydrophobicContact CD2-CB 4.21Å; T47-Q50 PolarHBondContact O-N 2.73Å; T47-Q50 VanDerWaalsContact O-N 3.08Å; T47-Q50 VanDerWaalsContact OG1-CD 3.32Å; T47-Q50 VanDerWaalsContact OG1-CG 3.27Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.33Å; T47-Q50 PolarHBondContact OG1-N 3.17Å; T47-Q50 PolarHBondContact OG1-OE1 3.24Å; L48-Q50 PolarHBondContact O-N 3.44Å; Q50-Y52 PolarHBondContact O-N 2.84Å; Q50-I53 PolarHBondContact O-N 2.86Å; Q50-L54 WeakPolarHBondContact O-CB 3.5Å; Q50-L54 VanDerWaalsContact O-CG 3.3Å; Q50-L54 WeakPolarHBondContact O-CG 3.49Å; Q50-L54 PolarHBondContact O-N 3.34Å
51A94.9Very high94.6Very high2 Ų283.8 Ų83.82%0.01745%0.447CS..Hα-helixtrans-58.4-45.2176.200000111.9F37 V41 T47 L48 I53 L54 G55F37-A51 HydrophobicContact CB-CB 3.74Å; F37-A51 HydrophobicContact CD1-CB 3.86Å; F37-A51 HydrophobicContact CD2-CB 4.46Å; F37-A51 HydrophobicContact CG-CB 3.75Å; V41-A51 HydrophobicContact CG2-CB 3.63Å; T47-A51 PolarHBondContact O-N 3.15Å; L48-A51 WeakPolarHBondContact O-CB 3.4Å; L48-A51 PolarHBondContact O-N 2.92Å; A51-I53 PolarHBondContact O-N 3.04Å; A51-L54 PolarHBondContact O-N 3.26Å; A51-G55 PolarHBondContact O-N 3.22Å
52Y93.1Very high94.4Very high132 Ų13283.3 Ų83.352%0.51845%0.45SS..Hα-helixtrans-64.8-39.7178.2-62.9-33000113.7T33 L48 R49 Q50 T56T33-Y52 HydrophobicContact CG2-CD1 4.18Å; T33-Y52 HydrophobicContact CG2-CE1 4.19Å; L48-Y52 HydrophobicContact CB-CE2 4.36Å; L48-Y52 WeakPolarHBondContact O-CD2 3.19Å; L48-Y52 PolarHBondContact O-N 2.72Å; R49-Y52 PolarHBondContact O-N 3.33Å; Q50-Y52 PolarHBondContact O-N 2.84Å; Y52-T56 WeakPolarHBondContact O-CB 3.29Å; Y52-T56 PolarHBondContact O-N 3.28Å; Y52-T56 PolarHBondContact O-OG1 3.02Å
53I95.5Very high94.2Very high94 Ų9483.5 Ų83.548%0.48245%0.445SS..Hα-helixtrans-65.9-47.4176.9-66.5167000110.1R49 Q50 A51 T56 C57R49-I53 HydrophobicContact CG-CD1 4.25Å; R49-I53 WeakPolarHBondContact O-CG1 3.46Å; R49-I53 PolarHBondContact O-N 2.87Å; Q50-I53 PolarHBondContact O-N 2.86Å; A51-I53 PolarHBondContact O-N 3.04Å; I53-T56 PolarHBondContact O-N 3.2Å; I53-C57 PolarHBondContact O-N 2.88Å; I53-C57 VanDerWaalsContact O-N 3.15Å; I53-C57 PolarHBondContact O-SG 2.88Å; I53-C57 VanDerWaalsContact O-SG 3.36Å
54L94.6Very high94Very high63 Ų6384.5 Ų84.533%0.3345%0.449SS..Hα-helixtrans-63.3-45.4178.5-69.6171.3000111.4F37 L46 Q50 A51 C57 F58F37-L54 HydrophobicContact CE1-CB 3.76Å; F37-L54 HydrophobicContact CE1-CD1 4.34Å; F37-L54 HydrophobicContact CZ-CB 3.81Å; L46-L54 HydrophobicContact CD1-CD1 3.83Å; L46-L54 HydrophobicContact CD2-CD1 4.24Å; Q50-L54 WeakPolarHBondContact O-CB 3.5Å; Q50-L54 VanDerWaalsContact O-CG 3.3Å; Q50-L54 WeakPolarHBondContact O-CG 3.49Å; Q50-L54 PolarHBondContact O-N 3.34Å; A51-L54 PolarHBondContact O-N 3.26Å; L54-C57 PolarHBondContact O-N 3.48Å; L54-F58 HydrophobicContact CB-CD2 4.45Å; L54-F58 HydrophobicContact CD2-CD2 4.34Å; L54-F58 HydrophobicContact CD2-CE2 3.92Å; L54-F58 WeakPolarHBondContact O-CD2 3.45Å; L54-F58 PolarHBondContact O-N 2.86Å
55G93.4Very high93.8Very high6 Ų678.8 Ų78.86%0.06243%0.426CS..Hα-helixtrans-57.6-50.9176.900000111.5F37 A51 C57 F58 E59F37-G55 VanDerWaalsContact CZ-N 3.32Å; A51-G55 PolarHBondContact O-N 3.22Å; G55-C57 VanDerWaalsContact C-N 3.31Å; G55-C57 PolarHBondContact O-N 3.47Å; G55-F58 PolarHBondContact O-N 3.35Å; G55-E59 WeakPolarHBondContact O-CB 3.42Å; G55-E59 WeakPolarHBondContact O-CG 3.37Å; G55-E59 PolarHBondContact O-N 3.19Å
56T93.8Very high93.7Very high94 Ų9478 Ų7858%0.57741%0.412SS*.Hα-helixtrans-55.5-46.7178.3-55.30000111.9Y52 I53 T60Y52-T56 WeakPolarHBondContact O-CB 3.29Å; Y52-T56 PolarHBondContact O-N 3.28Å; Y52-T56 PolarHBondContact O-OG1 3.02Å; I53-T56 PolarHBondContact O-N 3.2Å; T56-T60 WeakPolarHBondContact O-CB 3.26Å; T56-T60 PolarHBondContact O-N 2.86Å; T56-T60 PolarHBondContact O-OG1 3.45Å
57C95.3Very high93.4Very high68 Ų6877 Ų7746%0.45941%0.412SS..Hα-helixtrans-66.1-52.7-179.7-67.90000112.5I53 L54 G55 L61I53-C57 PolarHBondContact O-N 2.88Å; I53-C57 VanDerWaalsContact O-N 3.15Å; I53-C57 PolarHBondContact O-SG 2.88Å; I53-C57 VanDerWaalsContact O-SG 3.36Å; L54-C57 PolarHBondContact O-N 3.48Å; G55-C57 VanDerWaalsContact C-N 3.31Å; G55-C57 PolarHBondContact O-N 3.47Å; C57-L61 WeakPolarHBondContact O-CB 3.22Å; C57-L61 WeakPolarHBondContact O-CG 3.04Å; C57-L61 PolarHBondContact O-N 3.42Å
58F93.8Very high93Very high136 Ų13677.7 Ų77.760%0.59641%0.408SS*.Hα-helixtrans-79.2-32.7-171.6-74.5-72.8000113.4L54 G55 L61 G62L54-F58 HydrophobicContact CB-CD2 4.45Å; L54-F58 HydrophobicContact CD2-CD2 4.34Å; L54-F58 HydrophobicContact CD2-CE2 3.92Å; L54-F58 WeakPolarHBondContact O-CD2 3.45Å; L54-F58 PolarHBondContact O-N 2.86Å; G55-F58 PolarHBondContact O-N 3.35Å; F58-L61 HydrophobicContact CD1-CD1 4.3Å; F58-L61 PolarHBondContact O-N 3.12Å; F58-G62 PolarHBondContact O-N 3.29Å
59E93.3Very high92.6Very high89 Ų8976.7 Ų76.742%0.41640%0.4SS..Hα-helixtrans-66.2-43171.9-66.1-62.8160.900110.9N36 G55 L61 G62 A63N36-E59 PolarHBondContact ND2-OE1 3.41Å; G55-E59 WeakPolarHBondContact O-CB 3.42Å; G55-E59 WeakPolarHBondContact O-CG 3.37Å; G55-E59 PolarHBondContact O-N 3.19Å; E59-L61 PolarHBondContact O-N 3.22Å; E59-G62 PolarHBondContact O-N 2.91Å; E59-A63 WeakPolarHBondContact O-CB 3.39Å; E59-A63 PolarHBondContact O-N 2.9Å
60T93.5Very high92.1Very high83 Ų8371.6 Ų71.651%0.50939%0.39SS..Hα-helixtrans-63.7-43.6176.4-56.50000110.9T56 A63 V64T56-T60 WeakPolarHBondContact O-CB 3.26Å; T56-T60 PolarHBondContact O-N 2.86Å; T56-T60 PolarHBondContact O-OG1 3.45Å; T60-A63 PolarHBondContact O-N 2.68Å; T60-V64 VanDerWaalsContact O-CG2 3.32Å; T60-V64 WeakPolarHBondContact O-CG2 3.27Å; T60-V64 PolarHBondContact O-N 3.4Å
61L93.1Very high91.7Very high91 Ų9171.5 Ų71.548%0.47640%0.397SS..Hα-helixtrans-61.4-45.2175.1-75.2170.1000111.6C57 F58 E59 V64 L65C57-L61 WeakPolarHBondContact O-CB 3.22Å; C57-L61 WeakPolarHBondContact O-CG 3.04Å; C57-L61 PolarHBondContact O-N 3.42Å; F58-L61 HydrophobicContact CD1-CD1 4.3Å; F58-L61 PolarHBondContact O-N 3.12Å; E59-L61 PolarHBondContact O-N 3.22Å; L61-V64 PolarHBondContact O-N 2.85Å; L61-L65 VanDerWaalsContact O-CB 3.28Å; L61-L65 WeakPolarHBondContact O-CB 3.21Å; L61-L65 WeakPolarHBondContact O-CG 3.31Å; L61-L65 PolarHBondContact O-N 2.9Å
62G91.9Very high91.2Very high29 Ų2973.2 Ų73.230%0.29941%0.405SS..Hα-helixtrans-60.6-45.8176.500000112.4F58 E59 V64 L65 L66 G67F58-G62 PolarHBondContact O-N 3.29Å; E59-G62 PolarHBondContact O-N 2.91Å; G62-V64 VanDerWaalsContact C-N 3.33Å; G62-V64 PolarHBondContact O-N 3.4Å; G62-L65 PolarHBondContact O-N 3.38Å; G62-L66 PolarHBondContact O-N 3.32Å; G62-G67 PolarHBondContact O-N 3.46Å
63A91Very high90.9Very high65 Ų6570.5 Ų70.554%0.53740%0.403SS..Hα-helixtrans-59.8-41.7177.500000112.3E59 T60 G67E59-A63 WeakPolarHBondContact O-CB 3.39Å; E59-A63 PolarHBondContact O-N 2.9Å; T60-A63 PolarHBondContact O-N 2.68Å; A63-G67 WeakPolarHBondContact O-CA 2.99Å; A63-G67 PolarHBondContact O-N 2.95Å; A63-G67 VanDerWaalsContact O-N 3.15Å
64V91.1Very high90.3Very high83 Ų8367.4 Ų67.450%0.50339%0.388SS..Hα-helixtrans-72.2-42.1178.3172.50000112.1T60 L61 G62 L210T60-V64 VanDerWaalsContact O-CG2 3.32Å; T60-V64 WeakPolarHBondContact O-CG2 3.27Å; T60-V64 PolarHBondContact O-N 3.4Å; L61-V64 PolarHBondContact O-N 2.85Å; G62-V64 VanDerWaalsContact C-N 3.33Å; G62-V64 PolarHBondContact O-N 3.4Å; V64-L210 HydrophobicContact CG1-CD1 4.45Å
65L91.7Very high89.8Confident55 Ų5570.4 Ų70.429%0.28840%0.395SS..Hα-helixtrans-81-39.4-173.1-66.7173.7000113.2L61 G62 V202 G206 S207 L210L61-L65 VanDerWaalsContact O-CB 3.28Å; L61-L65 WeakPolarHBondContact O-CB 3.21Å; L61-L65 WeakPolarHBondContact O-CG 3.31Å; L61-L65 PolarHBondContact O-N 2.9Å; G62-L65 PolarHBondContact O-N 3.38Å; L65-V202 HydrophobicContact CB-CG1 4.28Å; L65-V202 HydrophobicContact CB-CG2 4.06Å; L65-V202 HydrophobicContact CD1-CG2 4.25Å; L65-V202 HydrophobicContact CD2-CG1 4.26Å; L65-G206 CarbonylContact O-C 3.48Å; L65-G206 WeakPolarHBondContact O-CA 3.4Å; L65-S207 PolarHBondContact O-N 3.49Å; L65-L210 HydrophobicContact CD2-CD1 3.71Å
66L90.6Very high89.3Confident53 Ų5375.2 Ų75.228%0.27741%0.414SS..Hα-helixtrans-121.2-14.8-169.8-66.9171.9000114.2G62 Y68 S201 V202G62-L66 PolarHBondContact O-N 3.32Å; L66-Y68 PolarHBondContact O-N 2.86Å; L66-Y68 VanDerWaalsContact O-N 3.15Å; L66-S201 VanDerWaalsContact CD2-O 3.28Å; L66-S201 WeakPolarHBondContact CD2-O 3.45Å; L66-V202 HydrophobicContact CD1-CG2 4.27Å; L66-V202 HydrophobicContact CD2-CB 4.38Å; L66-V202 HydrophobicContact CD2-CG2 3.94Å; L66-V202 HydrophobicContact CG-CG2 4Å
67G89.3Confident89Confident22 Ų2271.3 Ų71.323%0.22739%0.392CS..Hα-helixtrans-67.1-18-169.900000115.5G62 A63 T71G62-G67 PolarHBondContact O-N 3.46Å; A63-G67 WeakPolarHBondContact O-CA 2.99Å; A63-G67 PolarHBondContact O-N 2.95Å; A63-G67 VanDerWaalsContact O-N 3.15Å; G67-T71 WeakPolarHBondContact O-CB 3.39Å; G67-T71 PolarHBondContact O-N 3.46Å; G67-T71 VanDerWaalsContact O-N 3.11Å; G67-T71 PolarHBondContact O-OG1 3.11Å
68Y87.1Confident88.8Confident73 Ų7368 Ų6829%0.28637%0.37SS..Hα-helixtrans-63.2-48.6-174.2-180-96.6000113.1L66 V70 T71 D72 E208L66-Y68 PolarHBondContact O-N 2.86Å; L66-Y68 VanDerWaalsContact O-N 3.15Å; Y68-V70 PolarHBondContact O-N 3.49Å; Y68-T71 WeakPolarHBondContact O-CB 3.31Å; Y68-T71 PolarHBondContact O-N 2.99Å; Y68-D72 PolarHBondContact O-N 2.68Å; Y68-E208 HydrophobicContact CD1-CB 4.32Å; Y68-E208 HydrophobicContact CD1-CG 4.15Å; Y68-E208 HydrophobicContact CE1-CB 3.91Å; Y68-E208 HydrophobicContact CE1-CG 3.68Å; Y68-E208 WeakPolarHBondContact CE1-OE2 3.34Å; Y68-E208 VanDerWaalsContact CZ-OE2 3.27Å; Y68-E208 PolarHBondContact OH-OE2 3.49Å
69K85.2Confident88.8Confident81 Ų8161.6 Ų61.635%0.35234%0.342SS..Hα-helixtrans-63.2-45.2-175.8-73.6-160.7-179.6-175.40112.3T71 D72 T73 L204 D205K69-T71 VanDerWaalsContact C-N 3.29Å; K69-T71 PolarHBondContact O-N 3.45Å; K69-D72 PolarHBondContact O-N 3.35Å; K69-D72 VanDerWaalsContact O-N 3.13Å; K69-T73 PolarHBondContact O-N 2.92Å; K69-T73 PolarHBondContact O-OG1 3.38Å; K69-L204 PolarHBondContact NZ-O 3.24Å; K69-D205 HydrophobicContact CD-CB 3.94Å; K69-D205 IonicContact NZ-OD1 3.37Å; K69-D205 PolarHBondContact NZ-OD1 2.87Å
70V85.3Confident88.7Confident91 Ų9160.2 Ų60.255%0.55234%0.338SS*.Hα-helixtrans-61.6-41.5176.31800000110.5Y68 D72 T73 V74Y68-V70 PolarHBondContact O-N 3.49Å; V70-D72 VanDerWaalsContact C-N 3.32Å; V70-D72 PolarHBondContact O-N 2.94Å; V70-T73 PolarHBondContact O-N 2.97Å; V70-V74 WeakPolarHBondContact O-CG2 3.19Å; V70-V74 PolarHBondContact O-N 2.67Å
71T87.5Confident88.6Confident92 Ų9258.9 Ų58.956%0.56433%0.329SS*.Hα-helixtrans-61.3-40.3175.5-57.30000111.6G67 Y68 K69 V74 R75G67-T71 WeakPolarHBondContact O-CB 3.39Å; G67-T71 PolarHBondContact O-N 3.46Å; G67-T71 VanDerWaalsContact O-N 3.11Å; G67-T71 PolarHBondContact O-OG1 3.11Å; Y68-T71 WeakPolarHBondContact O-CB 3.31Å; Y68-T71 PolarHBondContact O-N 2.99Å; K69-T71 VanDerWaalsContact C-N 3.29Å; K69-T71 PolarHBondContact O-N 3.45Å; T71-V74 PolarHBondContact O-N 2.76Å; T71-R75 WeakPolarHBondContact O-CB 3.42Å; T71-R75 PolarHBondContact O-N 2.89Å
72D85.4Confident88.6Confident37 Ų3757.5 Ų57.520%0.19833%0.327CS..Hα-helixtrans-67.8-40.8178-15848.6000112.3Y68 K69 V70 R75 K76Y68-D72 PolarHBondContact O-N 2.68Å; K69-D72 PolarHBondContact O-N 3.35Å; K69-D72 VanDerWaalsContact O-N 3.13Å; V70-D72 VanDerWaalsContact C-N 3.32Å; V70-D72 PolarHBondContact O-N 2.94Å; D72-R75 PolarHBondContact O-N 2.97Å; D72-R75 IonicContact OD1-CZ 3.81Å; D72-R75 IonicContact OD1-NE 2.68Å; D72-R75 PolarHBondContact OD1-NE 3.34Å; D72-R75 IonicContact OD1-NH2 2.81Å; D72-R75 PolarHBondContact OD1-NH2 3.06Å; D72-K76 VanDerWaalsContact CG-NZ 3.27Å; D72-K76 PolarHBondContact O-N 3.26Å; D72-K76 WeakPolarHBondContact OD1-CD 3.33Å; D72-K76 WeakPolarHBondContact OD1-CE 3.4Å; D72-K76 IonicContact OD1-NZ 3.42Å; D72-K76 PolarHBondContact OD1-NZ 2.86Å; D72-K76 IonicContact OD2-NZ 2.65Å; D72-K76 PolarHBondContact OD2-NZ 3.41Å
73T85.4Confident88.6Confident76 Ų7659.2 Ų59.247%0.46633%0.329SS..Hα-helixtrans-61.1-43.5173.6-560000111.7K69 V70 R75 G77K69-T73 PolarHBondContact O-N 2.92Å; K69-T73 PolarHBondContact O-OG1 3.38Å; V70-T73 PolarHBondContact O-N 2.97Å; T73-R75 VanDerWaalsContact C-N 3.35Å; T73-G77 WeakPolarHBondContact O-CA 3.45Å; T73-G77 PolarHBondContact O-N 3.4Å
74V84.7Confident88.7Confident29 Ų2956.2 Ų56.218%0.17630%0.304CS..Hα-helixtrans-65.6-40.6176.7173.80000110.9V70 T71 V122V70-V74 WeakPolarHBondContact O-CG2 3.19Å; V70-V74 PolarHBondContact O-N 2.67Å; T71-V74 PolarHBondContact O-N 2.76Å; V74-V122 HydrophobicContact CG1-CG1 4.33Å; V74-V122 HydrophobicContact CG1-CG2 3.97Å; V74-V122 HydrophobicContact CG2-CG1 4.38Å
75R83.8Confident88.7Confident125 Ų12558 Ų5847%0.47231%0.311SS..Hα-helixtrans-67.5-43.3-178.2-179.6176.565.3170.8-2113.4T71 D72 T73T71-R75 WeakPolarHBondContact O-CB 3.42Å; T71-R75 PolarHBondContact O-N 2.89Å; D72-R75 PolarHBondContact O-N 2.97Å; D72-R75 IonicContact OD1-CZ 3.81Å; D72-R75 IonicContact OD1-NE 2.68Å; D72-R75 PolarHBondContact OD1-NE 3.34Å; D72-R75 IonicContact OD1-NH2 2.81Å; D72-R75 PolarHBondContact OD1-NH2 3.06Å; T73-R75 VanDerWaalsContact C-N 3.35Å
76K83.5Confident88.7Confident108 Ų10858.5 Ų58.547%0.4733%0.329SS..Hα-helixtrans-110.8-24.9-171.1-61.8176.4-173.9152.60114D72D72-K76 VanDerWaalsContact CG-NZ 3.27Å; D72-K76 PolarHBondContact O-N 3.26Å; D72-K76 WeakPolarHBondContact OD1-CD 3.33Å; D72-K76 WeakPolarHBondContact OD1-CE 3.4Å; D72-K76 IonicContact OD1-NZ 3.42Å; D72-K76 PolarHBondContact OD1-NZ 2.86Å; D72-K76 IonicContact OD2-NZ 2.65Å; D72-K76 PolarHBondContact OD2-NZ 3.41Å
77G86.2Confident88.8Confident11 Ų1158.1 Ų58.111%0.11333%0.329CS..Hα-helixtrans-82-24.5-175.800000113.4T73 S140 Q143T73-G77 WeakPolarHBondContact O-CA 3.45Å; T73-G77 PolarHBondContact O-N 3.4Å; G77-S140 WeakPolarHBondContact O-CB 3.33Å; G77-Q143 WeakPolarHBondContact O-CB 3.28Å
78V91.8Very high89Confident0 Ų061.3 Ų61.30%034%0.338CS..SBendtrans-89.2-40.1-177.4-178.60000112.1V123 T126 V127 S140 I144 I147V78-V123 HydrophobicContact CG2-CG1 4.27Å; V78-V123 HydrophobicContact CG2-CG2 4.22Å; V78-T126 HydrophobicContact CB-CG2 3.76Å; V78-T126 HydrophobicContact CG1-CG2 3.4Å; V78-V127 HydrophobicContact CG1-CG2 3.79Å; V78-S140 PolarHBondContact O-N 3.49Å; V78-I144 HydrophobicContact CB-CD1 4.34Å; V78-I144 HydrophobicContact CG1-CD1 3.84Å; V78-I144 HydrophobicContact CG2-CD1 4.29Å; V78-I147 HydrophobicContact CG2-CD1 4.06Å
79V93.3Very high89.3Confident1 Ų161.4 Ų61.41%0.00634%0.34CS..BIsolated β-bridgetrans-120.9135-172175.90000109.6V81 Y84 T126 F129 G138V79-V81 PolarHBondContact O-N 2.95Å; V79-Y84 HydrophobicContact CG1-CD2 4.12Å; V79-Y84 HydrophobicContact CG1-CE2 3.4Å; V79-Y84 VanDerWaalsContact CG1-CE2 3.4Å; V79-T126 HydrophobicContact CG2-CG2 3.48Å; V79-T126 VanDerWaalsContact CG2-CG2 3.48Å; V79-F129 HydrophobicContact CG2-CE1 4.46Å; V79-F129 HydrophobicContact CG2-CZ 3.92Å; V79-G138 WeakPolarHBondContact CA-O 3.32Å
80D91.4Very high89.7Confident60 Ų6061.1 Ų61.132%0.32134%0.34SS..  trans-73.898.8168.8-172.3-12.6000109.6S82 L83 G138D80-S82 VanDerWaalsContact CG-OG 3.27Å; D80-S82 PolarHBondContact O-N 2.79Å; D80-S82 VanDerWaalsContact OD1-CB 3.26Å; D80-S82 WeakPolarHBondContact OD1-CB 3.04Å; D80-S82 PolarHBondContact OD1-N 3.35Å; D80-S82 PolarHBondContact OD1-OG 2.92Å; D80-S82 PolarHBondContact OD2-OG 3.37Å; D80-L83 HydrophobicContact CB-CD1 4.1Å; D80-L83 HydrophobicContact CB-CG 4.27Å; D80-L83 PolarHBondContact O-N 3.25Å; D80-G138 PolarHBondContact N-O 2.85Å
81V91.7Very high90.2Very high55 Ų5558.2 Ų58.233%0.33332%0.321SS..G310 helixtrans-62.9-25.1-177.7-170.50000111.6V79 L83 Y84 L91V79-V81 PolarHBondContact O-N 2.95Å; V81-L83 VanDerWaalsContact C-N 3.25Å; V81-L83 PolarHBondContact O-N 3.2Å; V81-Y84 WeakPolarHBondContact O-CB 3.32Å; V81-Y84 PolarHBondContact O-N 3.48Å; V81-L91 HydrophobicContact CG1-CD2 3.73Å
82S92.2Very high90.6Very high61 Ų6156.3 Ų56.343%0.42731%0.306SS..G310 helixtrans-65.7-28.8-177.674.50000112.9D80 Y84 N85D80-S82 VanDerWaalsContact CG-OG 3.27Å; D80-S82 PolarHBondContact O-N 2.79Å; D80-S82 VanDerWaalsContact OD1-CB 3.26Å; D80-S82 WeakPolarHBondContact OD1-CB 3.04Å; D80-S82 PolarHBondContact OD1-N 3.35Å; D80-S82 PolarHBondContact OD1-OG 2.92Å; D80-S82 PolarHBondContact OD2-OG 3.37Å; S82-Y84 PolarHBondContact O-N 3.34Å; S82-N85 WeakPolarHBondContact O-CB 3.3Å; S82-N85 VanDerWaalsContact O-CG 3.27Å; S82-N85 PolarHBondContact O-N 3.46Å; S82-N85 VanDerWaalsContact O-N 3.16Å; S82-N85 PolarHBondContact O-ND2 2.97Å
83L92.5Very high91.1Very high66 Ų6657.6 Ų57.635%0.34631%0.313SS..G310 helixtrans-71.4-6.5175.7-61.5177.9000113.6D80 V81 R134 E137D80-L83 HydrophobicContact CB-CD1 4.1Å; D80-L83 HydrophobicContact CB-CG 4.27Å; D80-L83 PolarHBondContact O-N 3.25Å; V81-L83 VanDerWaalsContact C-N 3.25Å; V81-L83 PolarHBondContact O-N 3.2Å; L83-R134 PolarHBondContact O-NE 3.22Å; L83-E137 HydrophobicContact CD1-CB 4.36Å; L83-E137 WeakPolarHBondContact CD1-O 3.33Å
84Y92.6Very high91.6Very high2 Ų254.1 Ų54.11%0.00829%0.292CS..G310 helixtrans-1043175.1-65.3-91.8000113V79 V81 S82 G86 T87 E88 Q90 L91 S130 L133 R134V79-Y84 HydrophobicContact CG1-CD2 4.12Å; V79-Y84 HydrophobicContact CG1-CE2 3.4Å; V79-Y84 VanDerWaalsContact CG1-CE2 3.4Å; V81-Y84 WeakPolarHBondContact O-CB 3.32Å; V81-Y84 PolarHBondContact O-N 3.48Å; S82-Y84 PolarHBondContact O-N 3.34Å; Y84-G86 PolarHBondContact O-N 2.97Å; Y84-T87 WeakPolarHBondContact CA-OG1 3.5Å; Y84-T87 CarbonylContact O-C 3.25Å; Y84-T87 VanDerWaalsContact O-C 3.25Å; Y84-T87 WeakPolarHBondContact O-CA 3.32Å; Y84-T87 PolarHBondContact O-N 2.8Å; Y84-T87 PolarHBondContact O-OG1 2.78Å; Y84-E88 PolarHBondContact O-N 3.25Å; Y84-Q90 HydrophobicContact CD1-CB 4.48Å; Y84-L91 HydrophobicContact CD1-CB 3.76Å; Y84-L91 HydrophobicContact CD1-CD1 4.32Å; Y84-L91 HydrophobicContact CD2-CD1 4.12Å; Y84-L91 HydrophobicContact CE1-CB 4.46Å; Y84-L91 HydrophobicContact CE1-CD1 4.49Å; Y84-L91 HydrophobicContact CE2-CD1 4.33Å; Y84-L91 HydrophobicContact CG-CB 3.9Å; Y84-L91 HydrophobicContact CG-CD1 4.11Å; Y84-L91 HydrophobicContact CG-CG 4.4Å; Y84-S130 PolarHBondContact OH-OG 3.5Å; Y84-L133 HydrophobicContact CE1-CB 4.16Å; Y84-L133 HydrophobicContact CE1-CD1 3.86Å; Y84-R134 HydrophobicContact CE1-CG 4.07Å; Y84-R134 HydrophobicContact CE2-CG 4.02Å
85N91.5Very high92.1Very high120 Ų12055.3 Ų55.364%0.64230%0.295SS*.THydrogen-bonded Turntrans-58.6128.4173.2-73.4-15.6000110.5S82 T87S82-N85 WeakPolarHBondContact O-CB 3.3Å; S82-N85 VanDerWaalsContact O-CG 3.27Å; S82-N85 PolarHBondContact O-N 3.46Å; S82-N85 VanDerWaalsContact O-N 3.16Å; S82-N85 PolarHBondContact O-ND2 2.97Å; N85-T87 PolarHBondContact O-N 3.41Å
86G91Very high92.7Very high66 Ų6650.4 Ų50.468%0.6828%0.278SS*.THydrogen-bonded Turntrans78.5-1.7-173.300000114.9Y84 E88Y84-G86 PolarHBondContact O-N 2.97Å; G86-E88 VanDerWaalsContact C-OE2 3.3Å; G86-E88 WeakPolarHBondContact CA-OE2 3.26Å; G86-E88 PolarHBondContact N-OE1 3.44Å
87T93.2Very high93.3Very high44 Ų4448.1 Ų48.127%0.2728%0.276SS..  trans-134.335.1178.253.30000111.5Y84 N85 K89 Q90 L91 R134Y84-T87 WeakPolarHBondContact CA-OG1 3.5Å; Y84-T87 CarbonylContact O-C 3.25Å; Y84-T87 VanDerWaalsContact O-C 3.25Å; Y84-T87 WeakPolarHBondContact O-CA 3.32Å; Y84-T87 PolarHBondContact O-N 2.8Å; Y84-T87 PolarHBondContact O-OG1 2.78Å; N85-T87 PolarHBondContact O-N 3.41Å; T87-K89 PolarHBondContact O-N 3.08Å; T87-K89 VanDerWaalsContact O-N 3.1Å; T87-Q90 WeakPolarHBondContact O-CA 3.47Å; T87-Q90 VanDerWaalsContact O-CB 3.28Å; T87-Q90 WeakPolarHBondContact O-CB 3.32Å; T87-Q90 PolarHBondContact O-N 3.02Å; T87-L91 PolarHBondContact O-N 2.85Å; T87-R134 PolarHBondContact OG1-NH2 3.41Å
88E92.9Very high93.8Very high89 Ų8947.7 Ų47.742%0.41627%0.271SS..Hα-helixtrans-57.6-33.7-172.5-62.577.5-171.500112F6 Y84 G86 Q90 L91 M92F6-E88 HydrophobicContact CE2-CB 4.35Å; F6-E88 HydrophobicContact CZ-CB 4.11Å; Y84-E88 PolarHBondContact O-N 3.25Å; G86-E88 VanDerWaalsContact C-OE2 3.3Å; G86-E88 WeakPolarHBondContact CA-OE2 3.26Å; G86-E88 PolarHBondContact N-OE1 3.44Å; E88-Q90 VanDerWaalsContact C-N 3.26Å; E88-Q90 PolarHBondContact O-N 2.97Å; E88-L91 WeakPolarHBondContact O-CB 3.24Å; E88-L91 PolarHBondContact O-N 2.96Å; E88-L91 VanDerWaalsContact O-N 3.14Å; E88-M92 WeakPolarHBondContact O-CG 3.35Å; E88-M92 PolarHBondContact O-N 3.22Å
89K93.8Very high94Very high76 Ų7649.9 Ų49.933%0.3328%0.283SS..Hα-helixtrans-58.8-36.6174.1-175.2175.5-178178.90112.4F6 T10 I13 T87 M92 I93F6-K89 HydrophobicContact CE2-CB 4.27Å; T10-K89 HydrophobicContact CG2-CB 4.49Å; T10-K89 HydrophobicContact CG2-CD 4.47Å; T10-K89 HydrophobicContact CG2-CG 4.18Å; I13-K89 HydrophobicContact CD1-CG 4.3Å; T87-K89 PolarHBondContact O-N 3.08Å; T87-K89 VanDerWaalsContact O-N 3.1Å; K89-M92 PolarHBondContact O-N 2.94Å; K89-I93 HydrophobicContact CG-CD1 4.2Å; K89-I93 VanDerWaalsContact O-CG1 3.31Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 3.4Å; K89-I93 VanDerWaalsContact O-N 3.08Å
90Q94.9Very high94.2Very high75 Ų7551.5 Ų51.535%0.3530%0.296SS..Hα-helixtrans-67.4-41.4176.5-63.8-176.7-18.600110.9Y84 T87 E88 I93 G94 L133 R134Y84-Q90 HydrophobicContact CD1-CB 4.48Å; T87-Q90 WeakPolarHBondContact O-CA 3.47Å; T87-Q90 VanDerWaalsContact O-CB 3.28Å; T87-Q90 WeakPolarHBondContact O-CB 3.32Å; T87-Q90 PolarHBondContact O-N 3.02Å; E88-Q90 VanDerWaalsContact C-N 3.26Å; E88-Q90 PolarHBondContact O-N 2.97Å; Q90-I93 PolarHBondContact O-N 3.39Å; Q90-G94 PolarHBondContact O-N 3.2Å; Q90-L133 HydrophobicContact CB-CD1 4.23Å; Q90-R134 VanDerWaalsContact OE1-NH1 3.08Å
91L94.5Very high94.5Very high30 Ų3050.3 Ų50.316%0.15730%0.298CS..Hα-helixtrans-61.4-44.7174.4-178.662.8000111.2V81 Y84 T87 E88 I93 G94 Q95 F129V81-L91 HydrophobicContact CG1-CD2 3.73Å; Y84-L91 HydrophobicContact CD1-CB 3.76Å; Y84-L91 HydrophobicContact CD1-CD1 4.32Å; Y84-L91 HydrophobicContact CD2-CD1 4.12Å; Y84-L91 HydrophobicContact CE1-CB 4.46Å; Y84-L91 HydrophobicContact CE1-CD1 4.49Å; Y84-L91 HydrophobicContact CE2-CD1 4.33Å; Y84-L91 HydrophobicContact CG-CB 3.9Å; Y84-L91 HydrophobicContact CG-CD1 4.11Å; Y84-L91 HydrophobicContact CG-CG 4.4Å; T87-L91 PolarHBondContact O-N 2.85Å; E88-L91 WeakPolarHBondContact O-CB 3.24Å; E88-L91 PolarHBondContact O-N 2.96Å; E88-L91 VanDerWaalsContact O-N 3.14Å; L91-I93 VanDerWaalsContact C-N 3.33Å; L91-I93 PolarHBondContact O-N 2.93Å; L91-G94 WeakPolarHBondContact O-CA 3.44Å; L91-G94 PolarHBondContact O-N 2.91Å; L91-G94 VanDerWaalsContact O-N 3.14Å; L91-Q95 HydrophobicContact CD1-CG 4.43Å; L91-Q95 WeakPolarHBondContact O-CG 3.28Å; L91-Q95 PolarHBondContact O-N 2.86Å; L91-F129 HydrophobicContact CD1-CE2 4.29Å; L91-F129 HydrophobicContact CD1-CZ 4.19Å
92M95.4Very high94.7Very high51 Ų5147.8 Ų47.825%0.25128%0.283SS..Hα-helixtrans-59.6-42.2177.2-66.4177.97100112.3F6 T10 I13 V14 E88 K89 Q95 L96F6-M92 HydrophobicContact CE1-SD 4.24Å; F6-M92 HydrophobicContact CZ-SD 3.81Å; T10-M92 HydrophobicContact CG2-CE 4.29Å; T10-M92 HydrophobicContact CG2-SD 3.88Å; I13-M92 HydrophobicContact CB-CE 4.34Å; I13-M92 HydrophobicContact CD1-CB 4.11Å; I13-M92 HydrophobicContact CG2-CB 4.08Å; I13-M92 HydrophobicContact CG2-CE 4.41Å; V14-M92 HydrophobicContact CG2-CE 3.96Å; E88-M92 WeakPolarHBondContact O-CG 3.35Å; E88-M92 PolarHBondContact O-N 3.22Å; K89-M92 PolarHBondContact O-N 2.94Å; M92-Q95 PolarHBondContact O-N 2.97Å; M92-L96 PolarHBondContact O-N 3.44Å
93I95.9Very high94.9Very high65 Ų6545.2 Ų45.233%0.33327%0.266SS..Hα-helixtrans-67.5-37.9175.4-66.4167.9000111.1I13 K89 Q90 L91 L96 S97I13-I93 HydrophobicContact CD1-CD1 4.45Å; I13-I93 HydrophobicContact CD1-CG1 3.78Å; I13-I93 HydrophobicContact CG1-CG1 4.48Å; K89-I93 HydrophobicContact CG-CD1 4.2Å; K89-I93 VanDerWaalsContact O-CG1 3.31Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 3.4Å; K89-I93 VanDerWaalsContact O-N 3.08Å; Q90-I93 PolarHBondContact O-N 3.39Å; L91-I93 VanDerWaalsContact C-N 3.33Å; L91-I93 PolarHBondContact O-N 2.93Å; I93-L96 WeakPolarHBondContact O-CB 3.48Å; I93-L96 PolarHBondContact O-N 2.8Å; I93-S97 WeakPolarHBondContact O-CB 3.43Å; I93-S97 PolarHBondContact O-N 3.31Å; I93-S97 PolarHBondContact O-OG 3.28Å
94G96Very high95.1Very high2 Ų245.4 Ų45.42%0.02127%0.273CS..Hα-helixtrans-59.3-47.9173.800000112Q90 L91 L96 S97 T98 F129Q90-G94 PolarHBondContact O-N 3.2Å; L91-G94 WeakPolarHBondContact O-CA 3.44Å; L91-G94 PolarHBondContact O-N 2.91Å; L91-G94 VanDerWaalsContact O-N 3.14Å; G94-L96 PolarHBondContact O-N 3.11Å; G94-S97 CarbonylContact O-C 3.55Å; G94-S97 WeakPolarHBondContact O-CA 3.38Å; G94-S97 WeakPolarHBondContact O-CB 3.3Å; G94-S97 PolarHBondContact O-N 3.15Å; G94-S97 VanDerWaalsContact O-N 3.09Å; G94-T98 PolarHBondContact O-N 2.9Å; G94-T98 PolarHBondContact O-OG1 2.77Å; G94-F129 VanDerWaalsContact O-CD1 3.26Å; G94-F129 WeakPolarHBondContact O-CD1 3.48Å
95Q95.1Very high95.3Very high55 Ų5551.1 Ų51.126%0.25729%0.294SS..Hα-helixtrans-63.9-40.1175.9-64.2-61.4-24.400112.1L91 M92 S97 T98 L99L91-Q95 HydrophobicContact CD1-CG 4.43Å; L91-Q95 WeakPolarHBondContact O-CG 3.28Å; L91-Q95 PolarHBondContact O-N 2.86Å; M92-Q95 PolarHBondContact O-N 2.97Å; Q95-S97 VanDerWaalsContact C-N 3.27Å; Q95-S97 PolarHBondContact O-N 2.66Å; Q95-T98 WeakPolarHBondContact O-CB 3.48Å; Q95-T98 PolarHBondContact O-N 3.47Å; Q95-L99 WeakPolarHBondContact O-CG 3.39Å; Q95-L99 PolarHBondContact O-N 3.41Å
96L96.8Very high95.6Very high22 Ų2245.5 Ų45.512%0.11526%0.264CS..Hα-helixtrans-58.9-41.7171.7-176.567.1000111.5W12 I13 I16 G17 I20 M92 I93 G94 L99 A100W12-L96 HydrophobicContact CZ3-CD2 4.04Å; I13-L96 HydrophobicContact CG2-CB 4.2Å; I13-L96 HydrophobicContact CG2-CD2 4.19Å; I16-L96 HydrophobicContact CB-CD1 4.43Å; I16-L96 HydrophobicContact CG2-CD1 4.05Å; I16-L96 HydrophobicContact CG2-CD2 4.37Å; G17-L96 VanDerWaalsContact CA-CD1 3.47Å; I20-L96 HydrophobicContact CD1-CD1 3.86Å; M92-L96 PolarHBondContact O-N 3.44Å; I93-L96 WeakPolarHBondContact O-CB 3.48Å; I93-L96 PolarHBondContact O-N 2.8Å; G94-L96 PolarHBondContact O-N 3.11Å; L96-L99 PolarHBondContact O-N 3.36Å; L96-A100 WeakPolarHBondContact O-CB 3.23Å; L96-A100 PolarHBondContact O-N 3.28Å
97S96.8Very high95.8Very high60 Ų6045.2 Ų45.242%0.4225%0.249SC..Hα-helixtrans-66.4-37.3176.5-54.10000111.9I93 G94 Q95 A100 G101I93-S97 WeakPolarHBondContact O-CB 3.43Å; I93-S97 PolarHBondContact O-N 3.31Å; I93-S97 PolarHBondContact O-OG 3.28Å; G94-S97 CarbonylContact O-C 3.55Å; G94-S97 WeakPolarHBondContact O-CA 3.38Å; G94-S97 WeakPolarHBondContact O-CB 3.3Å; G94-S97 PolarHBondContact O-N 3.15Å; G94-S97 VanDerWaalsContact O-N 3.09Å; Q95-S97 VanDerWaalsContact C-N 3.27Å; Q95-S97 PolarHBondContact O-N 2.66Å; S97-A100 PolarHBondContact O-N 3.49Å; S97-G101 PolarHBondContact O-N 2.78Å
98T96.5Very high96Very high2 Ų247.1 Ų47.11%0.01226%0.257CS..Hα-helixtrans-57.4-51.4170.8-68.90000111G94 Q95 A100 G101 C102 V122 A125 T126 F129G94-T98 PolarHBondContact O-N 2.9Å; G94-T98 PolarHBondContact O-OG1 2.77Å; Q95-T98 WeakPolarHBondContact O-CB 3.48Å; Q95-T98 PolarHBondContact O-N 3.47Å; T98-A100 VanDerWaalsContact C-N 3.31Å; T98-A100 PolarHBondContact O-N 3.46Å; T98-G101 PolarHBondContact O-N 3.37Å; T98-C102 WeakPolarHBondContact O-CB 3.21Å; T98-C102 PolarHBondContact O-N 3.27Å; T98-V122 HydrophobicContact CG2-CG2 3.67Å; T98-A125 HydrophobicContact CG2-CB 4.19Å; T98-T126 WeakPolarHBondContact CG2-OG1 3.32Å; T98-T126 WeakPolarHBondContact OG1-CA 3.07Å; T98-T126 PolarHBondContact OG1-OG1 2.64Å; T98-F129 WeakPolarHBondContact OG1-CD1 3.21Å; T98-F129 VanDerWaalsContact OG1-CE1 3.28Å; T98-F129 WeakPolarHBondContact OG1-CE1 3.42Å
99L96.8Very high96.2Very high46 Ų4642.9 Ų42.924%0.24124%0.237CC..Hα-helixtrans-59.9-44.4-179.8-65.4174.3000110.9I20 A21 L24 Q95 L96 G103I20-L99 HydrophobicContact CB-CB 4.45Å; I20-L99 HydrophobicContact CG2-CB 3.66Å; A21-L99 HydrophobicContact CB-CD1 4.41Å; L24-L99 HydrophobicContact CD2-CD2 3.58Å; Q95-L99 WeakPolarHBondContact O-CG 3.39Å; Q95-L99 PolarHBondContact O-N 3.41Å; L96-L99 PolarHBondContact O-N 3.36Å; L99-G103 WeakPolarHBondContact O-CA 3.19Å; L99-G103 PolarHBondContact O-N 3.02Å
100A97.2Very high96.3Very high34 Ų3441.2 Ų41.228%0.28123%0.233SC..Hα-helixtrans-66.5-46.6179.800000112.4I20 L96 S97 T98 S104I20-A100 HydrophobicContact CD1-CB 4.09Å; I20-A100 HydrophobicContact CG2-CB 4.4Å; L96-A100 WeakPolarHBondContact O-CB 3.23Å; L96-A100 PolarHBondContact O-N 3.28Å; S97-A100 PolarHBondContact O-N 3.49Å; T98-A100 VanDerWaalsContact C-N 3.31Å; T98-A100 PolarHBondContact O-N 3.46Å; A100-S104 VanDerWaalsContact O-CB 3.25Å; A100-S104 WeakPolarHBondContact O-CB 3.4Å; A100-S104 PolarHBondContact O-N 3.44Å; A100-S104 PolarHBondContact O-OG 3.35Å
101G96.9Very high96.3Very high36 Ų3644.1 Ų44.137%0.37125%0.251SS..Hα-helixtrans-66-48.3-179.800000112.1S97 T98 S104 W105S97-G101 PolarHBondContact O-N 2.78Å; T98-G101 PolarHBondContact O-N 3.37Å; G101-S104 PolarHBondContact O-N 3.22Å; G101-W105 PolarHBondContact O-N 2.79Å
102C96.6Very high96.4Very high2 Ų247.9 Ų47.91%0.01427%0.27CS..Hα-helixtrans-61.3-47.8175.4-1760000111.2L24 T98 S104 W105 L106 A125L24-C102 HydrophobicContact CD1-CB 4.2Å; T98-C102 WeakPolarHBondContact O-CB 3.21Å; T98-C102 PolarHBondContact O-N 3.27Å; C102-S104 PolarHBondContact O-N 3.1Å; C102-W105 PolarHBondContact O-N 3.07Å; C102-L106 WeakPolarHBondContact O-CB 3.24Å; C102-L106 WeakPolarHBondContact O-CG 3.47Å; C102-L106 PolarHBondContact O-N 3.45Å; C102-A125 HydrophobicContact CB-CB 4.47Å
103G96.1Very high96.4Very high7 Ų754.3 Ų54.37%0.07230%0.297CS..Hα-helixtrans-62.8-40.8-179.600000112.6L99 T107L99-G103 WeakPolarHBondContact O-CA 3.19Å; L99-G103 PolarHBondContact O-N 3.02Å; G103-T107 VanDerWaalsContact O-CB 3.29Å; G103-T107 WeakPolarHBondContact O-CB 3.39Å; G103-T107 PolarHBondContact O-N 3.13Å; G103-T107 PolarHBondContact O-OG1 3.03Å
104S96.8Very high96.4Very high69 Ų6955.2 Ų55.248%0.48330%0.302SS..Hα-helixtrans-62.8-48.8176-59.60000111.1A100 G101 C102 T107 I108A100-S104 VanDerWaalsContact O-CB 3.25Å; A100-S104 WeakPolarHBondContact O-CB 3.4Å; A100-S104 PolarHBondContact O-N 3.44Å; A100-S104 PolarHBondContact O-OG 3.35Å; G101-S104 PolarHBondContact O-N 3.22Å; C102-S104 PolarHBondContact O-N 3.1Å; S104-T107 PolarHBondContact O-N 2.95Å; S104-I108 WeakPolarHBondContact O-CD1 3.22Å; S104-I108 VanDerWaalsContact O-CG1 3.24Å; S104-I108 WeakPolarHBondContact O-CG1 3.48Å; S104-I108 PolarHBondContact O-N 3.25Å
105W97.2Very high96.3Very high123 Ų12360.1 Ų60.147%0.46633%0.333SS..Hα-helixtrans-63.2-46.3179.9176.5-114.6000112.5G101 C102 T107 I108 A109 S121G101-W105 PolarHBondContact O-N 2.79Å; C102-W105 PolarHBondContact O-N 3.07Å; W105-T107 VanDerWaalsContact C-N 3.31Å; W105-T107 PolarHBondContact O-N 3.32Å; W105-I108 PolarHBondContact O-N 3.16Å; W105-A109 WeakPolarHBondContact O-CB 3.5Å; W105-A109 PolarHBondContact O-N 3.06Å; W105-S121 VanDerWaalsContact CD1-OG 3.23Å
106L96.6Very high96.3Very high1 Ų159.1 Ų59.11%0.00533%0.331CS..Hα-helixtrans-64.2-36.3177.8-71.2-179.2000112.6L24 A27 I28 C102 T110 V116L24-L106 HydrophobicContact CD1-CD1 3.74Å; A27-L106 HydrophobicContact CB-CB 3.91Å; I28-L106 HydrophobicContact CD1-CD1 4.44Å; I28-L106 HydrophobicContact CG1-CD1 3.49Å; I28-L106 VanDerWaalsContact CG1-CD1 3.49Å; C102-L106 WeakPolarHBondContact O-CB 3.24Å; C102-L106 WeakPolarHBondContact O-CG 3.47Å; C102-L106 PolarHBondContact O-N 3.45Å; L106-T110 VanDerWaalsContact O-CB 3.27Å; L106-T110 WeakPolarHBondContact O-CB 3.23Å; L106-T110 PolarHBondContact O-N 2.92Å; L106-T110 PolarHBondContact O-OG1 2.84Å; L106-V116 HydrophobicContact CD2-CG2 3.58Å
107T96.5Very high96.2Very high60 Ų6060.1 Ų60.137%0.36834%0.34SS..Hα-helixtrans-64.4-48.8174.3-58.40000110.6G103 S104 W105 A109 T110 L111G103-T107 VanDerWaalsContact O-CB 3.29Å; G103-T107 WeakPolarHBondContact O-CB 3.39Å; G103-T107 PolarHBondContact O-N 3.13Å; G103-T107 PolarHBondContact O-OG1 3.03Å; S104-T107 PolarHBondContact O-N 2.95Å; W105-T107 VanDerWaalsContact C-N 3.31Å; W105-T107 PolarHBondContact O-N 3.32Å; T107-A109 PolarHBondContact O-N 3.43Å; T107-T110 PolarHBondContact O-N 2.98Å; T107-L111 HydrophobicContact CG2-CD1 4.14Å; T107-L111 HydrophobicContact CG2-CG 4.5Å; T107-L111 VanDerWaalsContact O-CG 3.28Å; T107-L111 WeakPolarHBondContact O-CG 3.06Å; T107-L111 PolarHBondContact O-N 3.26Å
108I97Very high96Very high84 Ų8457.9 Ų57.943%0.43133%0.326SS..Hα-helixtrans-59.7-49177.9-68.5164.1000110.7S104 W105 T110 L111 L112S104-I108 WeakPolarHBondContact O-CD1 3.22Å; S104-I108 VanDerWaalsContact O-CG1 3.24Å; S104-I108 WeakPolarHBondContact O-CG1 3.48Å; S104-I108 PolarHBondContact O-N 3.25Å; W105-I108 PolarHBondContact O-N 3.16Å; I108-T110 VanDerWaalsContact C-N 3.32Å; I108-T110 PolarHBondContact O-N 2.92Å; I108-L111 PolarHBondContact O-N 2.85Å; I108-L112 HydrophobicContact CG2-CD1 3.83Å; I108-L112 HydrophobicContact CG2-CG 4.4Å; I108-L112 WeakPolarHBondContact O-CB 3.29Å; I108-L112 VanDerWaalsContact O-CG 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.31Å; I108-L112 PolarHBondContact O-N 3.32Å
109A96.8Very high95.8Very high0 Ų061.2 Ų61.20%035%0.346CS..Hα-helixtrans-60-42.4179.500000112W105 T107 L112 K113 L114 V116W105-A109 WeakPolarHBondContact O-CB 3.5Å; W105-A109 PolarHBondContact O-N 3.06Å; T107-A109 PolarHBondContact O-N 3.43Å; A109-L112 CarbonylContact O-C 3.4Å; A109-L112 PolarHBondContact O-N 3.2Å; A109-K113 PolarHBondContact O-N 3.14Å; A109-L114 HydrophobicContact CB-CB 4.41Å; A109-L114 PolarHBondContact O-N 2.86Å; A109-V116 HydrophobicContact CB-CB 4.26Å; A109-V116 HydrophobicContact CB-CG1 3.8Å; A109-V116 HydrophobicContact CB-CG2 3.4Å
110T95.2Very high95.6Very high41 Ų4163.1 Ų63.125%0.25235%0.354SS..Hα-helixtrans-64.3-42.3176.5-580000111.9A30 N31 L106 T107 I108 L112 K113A30-T110 HydrophobicContact CB-CG2 3.86Å; N31-T110 PolarHBondContact ND2-OG1 2.95Å; L106-T110 VanDerWaalsContact O-CB 3.27Å; L106-T110 WeakPolarHBondContact O-CB 3.23Å; L106-T110 PolarHBondContact O-N 2.92Å; L106-T110 PolarHBondContact O-OG1 2.84Å; T107-T110 PolarHBondContact O-N 2.98Å; I108-T110 VanDerWaalsContact C-N 3.32Å; I108-T110 PolarHBondContact O-N 2.92Å; T110-L112 VanDerWaalsContact C-N 3.27Å; T110-L112 PolarHBondContact O-N 3.18Å; T110-K113 WeakPolarHBondContact O-CA 3.25Å; T110-K113 PolarHBondContact O-N 3.33Å
111L96.3Very high95.5Very high136 Ų13662.3 Ų62.371%0.71235%0.346SS*.Hα-helixtrans-62.7-35.6174.6-70.9173.6000112.2T107 I108 K113T107-L111 HydrophobicContact CG2-CD1 4.14Å; T107-L111 HydrophobicContact CG2-CG 4.5Å; T107-L111 VanDerWaalsContact O-CG 3.28Å; T107-L111 WeakPolarHBondContact O-CG 3.06Å; T107-L111 PolarHBondContact O-N 3.26Å; I108-L111 PolarHBondContact O-N 2.85Å; L111-K113 PolarHBondContact O-N 3.13Å
112L96.8Very high95.4Very high109 Ų10962 Ų6257%0.57134%0.337SS*.THydrogen-bonded Turntrans-80.10.8173.9-64.4175.9000113.4I108 A109 T110 L114I108-L112 HydrophobicContact CG2-CD1 3.83Å; I108-L112 HydrophobicContact CG2-CG 4.4Å; I108-L112 WeakPolarHBondContact O-CB 3.29Å; I108-L112 VanDerWaalsContact O-CG 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.31Å; I108-L112 PolarHBondContact O-N 3.32Å; A109-L112 CarbonylContact O-C 3.4Å; A109-L112 PolarHBondContact O-N 3.2Å; T110-L112 VanDerWaalsContact C-N 3.27Å; T110-L112 PolarHBondContact O-N 3.18Å; L112-L114 HydrophobicContact CB-CD1 4.01Å; L112-L114 HydrophobicContact CB-CG 4Å; L112-L114 HydrophobicContact CD1-CD1 4.32Å; L112-L114 PolarHBondContact O-N 3.24Å
113K95.1Very high95.4Very high187 Ų18762.3 Ų62.381%0.81334%0.339SS*.THydrogen-bonded Turntrans59.831-178.7-51.6171.2-176.3170.70113.4A109 T110 L111A109-K113 PolarHBondContact O-N 3.14Å; T110-K113 WeakPolarHBondContact O-CA 3.25Å; T110-K113 PolarHBondContact O-N 3.33Å; L111-K113 PolarHBondContact O-N 3.13Å
114L95.5Very high95.3Very high84 Ų8464 Ų6444%0.4436%0.357SS..  trans-95.9120.5178.4-61.7175.9000109.8N31 A109 L112 V116N31-L114 PolarHBondContact ND2-O 3.48Å; A109-L114 HydrophobicContact CB-CB 4.41Å; A109-L114 PolarHBondContact O-N 2.86Å; L112-L114 HydrophobicContact CB-CD1 4.01Å; L112-L114 HydrophobicContact CB-CG 4Å; L112-L114 HydrophobicContact CD1-CD1 4.32Å; L112-L114 PolarHBondContact O-N 3.24Å; L114-V116 HydrophobicContact CB-CG1 4.15Å; L114-V116 PolarHBondContact O-N 3.09Å
115P93.8Very high95.3Very high104 Ų10461.9 Ų61.968%0.67534%0.343SS*.  trans-71118.9168.229.7-31.5000108.4
116V95.1Very high95.2Very high34 Ų3456 Ų5621%0.20632%0.321CS..  trans-132.6155.7-177.5-64.40000110.5N31 L106 A109 L114 G118N31-V116 PolarHBondContact OD1-N 3.45Å; N31-V116 PolarHBondContact OD1-O 2.87Å; N31-V116 VanDerWaalsContact OD1-O 3.07Å; L106-V116 HydrophobicContact CD2-CG2 3.58Å; A109-V116 HydrophobicContact CB-CB 4.26Å; A109-V116 HydrophobicContact CB-CG1 3.8Å; A109-V116 HydrophobicContact CB-CG2 3.4Å; L114-V116 HydrophobicContact CB-CG1 4.15Å; L114-V116 PolarHBondContact O-N 3.09Å; V116-G118 PolarHBondContact O-N 3.47Å
117S94.2Very high95.1Very high43 Ų4357.4 Ų57.430%0.30133%0.329SS..  trans-79.8114.3179.7173.80000111.5T119 H120 S121S117-T119 VanDerWaalsContact C-N 3.28Å; S117-T119 PolarHBondContact O-N 3.1Å; S117-T119 PolarHBondContact OG-N 3.45Å; S117-H120 PolarHBondContact O-N 2.95Å; S117-H120 PolarHBondContact OG-CD2 3.38Å; S117-H120 VanDerWaalsContact OG-CD2 3.31Å; S117-H120 VanDerWaalsContact OG-CG 3.3Å; S117-H120 PolarHBondContact OG-N 2.84Å; S117-H120 VanDerWaalsContact OG-N 3.11Å; S117-S121 PolarHBondContact O-N 3.09Å; S117-S121 VanDerWaalsContact O-N 3.14Å; S117-S121 PolarHBondContact O-OG 3.34Å
118G92.2Very high95.1Very high13 Ų1356 Ų5613%0.13433%0.327CS..Hα-helixtrans-58.3-39.4168.700000112.8V116 H120 S121 V122V116-G118 PolarHBondContact O-N 3.47Å; G118-H120 PolarHBondContact O-N 2.9Å; G118-S121 WeakPolarHBondContact O-CB 3.37Å; G118-S121 PolarHBondContact O-N 3.19Å; G118-S121 VanDerWaalsContact O-N 3.16Å; G118-V122 PolarHBondContact O-N 3.31Å
119T92.1Very high95.1Very high72 Ų7252.8 Ų52.844%0.44231%0.31SS..Hα-helixtrans-62.5-43.7177.9-52.30000112.2S117 S121 V122 V123S117-T119 VanDerWaalsContact C-N 3.28Å; S117-T119 PolarHBondContact O-N 3.1Å; S117-T119 PolarHBondContact OG-N 3.45Å; T119-S121 VanDerWaalsContact C-N 3.28Å; T119-S121 PolarHBondContact O-N 2.84Å; T119-V122 WeakPolarHBondContact O-CG1 3.32Å; T119-V123 WeakPolarHBondContact O-CB 3.44Å; T119-V123 VanDerWaalsContact O-CG2 3.3Å; T119-V123 WeakPolarHBondContact O-CG2 3.19Å; T119-V123 PolarHBondContact O-N 3.05Å; T119-V123 VanDerWaalsContact O-N 3.1Å
120H94Very high95Very high86 Ų8652.8 Ų52.840%0.39831%0.31SS..Hα-helixtrans-65-38.1175.9-64176.2000111S117 G118 G124 W151S117-H120 PolarHBondContact O-N 2.95Å; S117-H120 PolarHBondContact OG-CD2 3.38Å; S117-H120 VanDerWaalsContact OG-CD2 3.31Å; S117-H120 VanDerWaalsContact OG-CG 3.3Å; S117-H120 PolarHBondContact OG-N 2.84Å; S117-H120 VanDerWaalsContact OG-N 3.11Å; G118-H120 PolarHBondContact O-N 2.9Å; H120-G124 PolarHBondContact O-N 3.42Å; H120-W151 HydrophobicContact CB-CH2 4.25Å; H120-W151 AromaticContact CD2-CD2 3.3Å; H120-W151 AromaticContact CD2-CE2 3.2Å; H120-W151 AromaticContact CD2-CE3 3.5Å; H120-W151 AromaticContact CD2-CG 3.96Å; H120-W151 AromaticContact CD2-CH2 3.54Å; H120-W151 AromaticContact CD2-CZ2 3.34Å; H120-W151 WeakPolarHBondContact CD2-CZ2 3.49Å; H120-W151 AromaticContact CD2-CZ3 3.62Å; H120-W151 AromaticContact CD2-NE1 3.79Å; H120-W151 AromaticContact CE1-CE3 3.97Å; H120-W151 AromaticContact CG-CH2 3.99Å; H120-W151 AromaticContact CG-CZ3 3.99Å; H120-W151 AromaticContact NE2-CD1 3.85Å; H120-W151 AromaticContact NE2-CD2 3.13Å; H120-W151 AromaticContact NE2-CE2 3.53Å; H120-W151 AromaticContact NE2-CE3 3.4Å; H120-W151 AromaticContact NE2-CG 3.38Å; H120-W151 AromaticContact NE2-CZ3 3.99Å; H120-W151 AromaticContact NE2-NE1 3.93Å
121S95.5Very high95Very high17 Ų1754.5 Ų54.512%0.11932%0.317CS..Hα-helixtrans-65-45.5-178.6-53.60000111.9W105 S117 G118 T119 A125W105-S121 VanDerWaalsContact CD1-OG 3.23Å; S117-S121 PolarHBondContact O-N 3.09Å; S117-S121 VanDerWaalsContact O-N 3.14Å; S117-S121 PolarHBondContact O-OG 3.34Å; G118-S121 WeakPolarHBondContact O-CB 3.37Å; G118-S121 PolarHBondContact O-N 3.19Å; G118-S121 VanDerWaalsContact O-N 3.16Å; T119-S121 VanDerWaalsContact C-N 3.28Å; T119-S121 PolarHBondContact O-N 2.84Å; S121-A125 VanDerWaalsContact O-CB 3.29Å; S121-A125 WeakPolarHBondContact O-CB 3.39Å; S121-A125 PolarHBondContact O-N 2.89Å
122V94.6Very high95.1Very high30 Ų3053.9 Ų53.918%0.18232%0.319CS..Hα-helixtrans-70.8-41178.970.90000112.2V74 T98 G118 T119 T126V74-V122 HydrophobicContact CG1-CG1 4.33Å; V74-V122 HydrophobicContact CG1-CG2 3.97Å; V74-V122 HydrophobicContact CG2-CG1 4.38Å; T98-V122 HydrophobicContact CG2-CG2 3.67Å; G118-V122 PolarHBondContact O-N 3.31Å; T119-V122 WeakPolarHBondContact O-CG1 3.32Å; V122-T126 VanDerWaalsContact O-CB 3.26Å; V122-T126 WeakPolarHBondContact O-CB 3.42Å; V122-T126 PolarHBondContact O-N 3.42Å; V122-T126 PolarHBondContact O-OG1 2.89Å
123V94.9Very high95Very high8 Ų851.5 Ų51.55%0.04831%0.306CS..Hα-helixtrans-64.5-47.5176.1172.50000110.1V78 T119 A125 T126 V127 I144 I147 W151V78-V123 HydrophobicContact CG2-CG1 4.27Å; V78-V123 HydrophobicContact CG2-CG2 4.22Å; T119-V123 WeakPolarHBondContact O-CB 3.44Å; T119-V123 VanDerWaalsContact O-CG2 3.3Å; T119-V123 WeakPolarHBondContact O-CG2 3.19Å; T119-V123 PolarHBondContact O-N 3.05Å; T119-V123 VanDerWaalsContact O-N 3.1Å; V123-A125 PolarHBondContact O-N 3.4Å; V123-T126 WeakPolarHBondContact O-CB 3.41Å; V123-T126 PolarHBondContact O-N 2.85Å; V123-V127 HydrophobicContact CG1-CG2 4.4Å; V123-V127 WeakPolarHBondContact O-CG2 3.35Å; V123-V127 PolarHBondContact O-N 3.31Å; V123-I144 HydrophobicContact CG1-CD1 3.98Å; V123-I147 HydrophobicContact CG2-CG2 4.45Å; V123-W151 HydrophobicContact CB-CH2 4.26Å; V123-W151 HydrophobicContact CB-CZ2 4.08Å; V123-W151 HydrophobicContact CG1-CH2 4.12Å; V123-W151 HydrophobicContact CG1-CZ2 4.16Å; V123-W151 HydrophobicContact CG2-CZ2 4.15Å
124G95.5Very high95Very high43 Ų4345.7 Ų45.744%0.44328%0.28SS..Hα-helixtrans-61.1-44178.500000113.2H120 T126 V127 G128H120-G124 PolarHBondContact O-N 3.42Å; G124-T126 VanDerWaalsContact C-N 3.31Å; G124-T126 PolarHBondContact O-N 2.64Å; G124-V127 PolarHBondContact O-N 2.84Å; G124-G128 PolarHBondContact O-N 3.35Å
125A96.2Very high94.9Very high24 Ų2443.2 Ų43.220%0.19827%0.274CS..Hα-helixtrans-64.8-36.617600000112.3T98 C102 S121 V123 G128 F129T98-A125 HydrophobicContact CG2-CB 4.19Å; C102-A125 HydrophobicContact CB-CB 4.47Å; S121-A125 VanDerWaalsContact O-CB 3.29Å; S121-A125 WeakPolarHBondContact O-CB 3.39Å; S121-A125 PolarHBondContact O-N 2.89Å; V123-A125 PolarHBondContact O-N 3.4Å; A125-G128 PolarHBondContact O-N 3.35Å; A125-F129 PolarHBondContact O-N 3.15Å
126T95.3Very high94.9Very high0 Ų042.6 Ų42.60%027%0.268CS..Hα-helixtrans-67.1-46.3176.7-600000111.9V78 V79 T98 V122 V123 G124 G128 F129 S130V78-T126 HydrophobicContact CB-CG2 3.76Å; V78-T126 HydrophobicContact CG1-CG2 3.4Å; V79-T126 HydrophobicContact CG2-CG2 3.48Å; V79-T126 VanDerWaalsContact CG2-CG2 3.48Å; T98-T126 WeakPolarHBondContact CG2-OG1 3.32Å; T98-T126 WeakPolarHBondContact OG1-CA 3.07Å; T98-T126 PolarHBondContact OG1-OG1 2.64Å; V122-T126 VanDerWaalsContact O-CB 3.26Å; V122-T126 WeakPolarHBondContact O-CB 3.42Å; V122-T126 PolarHBondContact O-N 3.42Å; V122-T126 PolarHBondContact O-OG1 2.89Å; V123-T126 WeakPolarHBondContact O-CB 3.41Å; V123-T126 PolarHBondContact O-N 2.85Å; G124-T126 VanDerWaalsContact C-N 3.31Å; G124-T126 PolarHBondContact O-N 2.64Å; T126-G128 VanDerWaalsContact C-N 3.27Å; T126-G128 PolarHBondContact O-N 3.31Å; T126-F129 HydrophobicContact CG2-CD1 4.46Å; T126-F129 HydrophobicContact CG2-CE1 3.68Å; T126-F129 HydrophobicContact CG2-CZ 4.28Å; T126-F129 VanDerWaalsContact O-CD1 3.22Å; T126-F129 WeakPolarHBondContact O-CD1 3.14Å; T126-F129 WeakPolarHBondContact O-CE1 3.13Å; T126-F129 PolarHBondContact O-N 3.46Å; T126-S130 PolarHBondContact O-N 3.02Å; T126-S130 VanDerWaalsContact O-N 3.16Å
127V95.5Very high94.8Very high30 Ų3048.4 Ų48.418%0.18229%0.293CS..Hα-helixtrans-56.3-45.6170.5169.30000110V78 V123 G124 F129 S130 L131 I139 I144V78-V127 HydrophobicContact CG1-CG2 3.79Å; V123-V127 HydrophobicContact CG1-CG2 4.4Å; V123-V127 WeakPolarHBondContact O-CG2 3.35Å; V123-V127 PolarHBondContact O-N 3.31Å; G124-V127 PolarHBondContact O-N 2.84Å; V127-F129 PolarHBondContact O-N 3.29Å; V127-S130 PolarHBondContact O-N 3.37Å; V127-L131 HydrophobicContact CG1-CD1 3.89Å; V127-L131 HydrophobicContact CG1-CG 4.2Å; V127-L131 WeakPolarHBondContact O-CG 3.33Å; V127-L131 PolarHBondContact O-N 3.5Å; V127-I139 HydrophobicContact CG1-CD1 3.87Å; V127-I144 HydrophobicContact CG2-CD1 4Å
128G96Very high94.7Very high32 Ų3246.3 Ų46.333%0.3328%0.279SS..Hα-helixtrans-55.6-51.5-179.800000113.6G124 A125 T126 S130 V132G124-G128 PolarHBondContact O-N 3.35Å; A125-G128 PolarHBondContact O-N 3.35Å; T126-G128 VanDerWaalsContact C-N 3.27Å; T126-G128 PolarHBondContact O-N 3.31Å; G128-S130 VanDerWaalsContact C-N 3.33Å; G128-S130 PolarHBondContact O-N 2.88Å; G128-V132 WeakPolarHBondContact O-CG2 3.4Å; G128-V132 PolarHBondContact O-N 3.26Å
129F95.9Very high94.7Very high16 Ų1646.1 Ų46.17%0.0727%0.274CS..Hα-helixtrans-67.3-36.8178.787.5-108.1000111.7V79 L91 G94 T98 A125 T126 V127 V132 L133V79-F129 HydrophobicContact CG2-CE1 4.46Å; V79-F129 HydrophobicContact CG2-CZ 3.92Å; L91-F129 HydrophobicContact CD1-CE2 4.29Å; L91-F129 HydrophobicContact CD1-CZ 4.19Å; G94-F129 VanDerWaalsContact O-CD1 3.26Å; G94-F129 WeakPolarHBondContact O-CD1 3.48Å; T98-F129 WeakPolarHBondContact OG1-CD1 3.21Å; T98-F129 VanDerWaalsContact OG1-CE1 3.28Å; T98-F129 WeakPolarHBondContact OG1-CE1 3.42Å; A125-F129 PolarHBondContact O-N 3.15Å; T126-F129 HydrophobicContact CG2-CD1 4.46Å; T126-F129 HydrophobicContact CG2-CE1 3.68Å; T126-F129 HydrophobicContact CG2-CZ 4.28Å; T126-F129 VanDerWaalsContact O-CD1 3.22Å; T126-F129 WeakPolarHBondContact O-CD1 3.14Å; T126-F129 WeakPolarHBondContact O-CE1 3.13Å; T126-F129 PolarHBondContact O-N 3.46Å; V127-F129 PolarHBondContact O-N 3.29Å; F129-V132 PolarHBondContact O-N 2.95Å; F129-V132 VanDerWaalsContact O-N 3.16Å; F129-L133 HydrophobicContact CD2-CD1 3.92Å; F129-L133 HydrophobicContact CE2-CD1 4.47Å; F129-L133 PolarHBondContact O-N 2.91Å
130S95.2Very high94.7Very high0 Ų043.9 Ų43.90%026%0.262CS..Hα-helixtrans-68-39.2-177.1-160.50000111.2Y84 T126 V127 G128 V132 L133 R134 G135 G138Y84-S130 PolarHBondContact OH-OG 3.5Å; T126-S130 PolarHBondContact O-N 3.02Å; T126-S130 VanDerWaalsContact O-N 3.16Å; V127-S130 PolarHBondContact O-N 3.37Å; G128-S130 VanDerWaalsContact C-N 3.33Å; G128-S130 PolarHBondContact O-N 2.88Å; S130-V132 VanDerWaalsContact C-N 3.26Å; S130-V132 PolarHBondContact O-N 3.45Å; S130-L133 PolarHBondContact O-N 2.96Å; S130-R134 PolarHBondContact O-N 2.85Å; S130-G135 PolarHBondContact O-N 3.48Å; S130-G138 VanDerWaalsContact OG-C 3.31Å; S130-G138 WeakPolarHBondContact OG-CA 3.22Å; S130-G138 PolarHBondContact OG-O 3.24Å
131L96.3Very high94.7Very high76 Ų7646.5 Ų46.540%0.39827%0.269SS..Hα-helixtrans-56.8-39.8170.9-73.2175.2000112.1V127 G135 T136 I139V127-L131 HydrophobicContact CG1-CD1 3.89Å; V127-L131 HydrophobicContact CG1-CG 4.2Å; V127-L131 WeakPolarHBondContact O-CG 3.33Å; V127-L131 PolarHBondContact O-N 3.5Å; L131-G135 WeakPolarHBondContact O-CA 3.37Å; L131-G135 PolarHBondContact O-N 3.33Å; L131-T136 HydrophobicContact CD2-CG2 4.32Å; L131-I139 HydrophobicContact CD2-CD1 3.38Å; L131-I139 HydrophobicContact CG-CD1 3.72Å
132V96.5Very high94.5Very high124 Ų12450.5 Ų50.575%0.75229%0.292SS*.Hα-helixtrans-69.8-41.1179173.10000112G128 F129 S130G128-V132 WeakPolarHBondContact O-CG2 3.4Å; G128-V132 PolarHBondContact O-N 3.26Å; F129-V132 PolarHBondContact O-N 2.95Å; F129-V132 VanDerWaalsContact O-N 3.16Å; S130-V132 VanDerWaalsContact C-N 3.26Å; S130-V132 PolarHBondContact O-N 3.45Å
133L95.8Very high94.4Very high58 Ų5852.4 Ų52.430%0.30430%0.299SS..Hα-helixtrans-87.3-29.9-173.8-67179.7000114.3Y84 Q90 F129 S130Y84-L133 HydrophobicContact CE1-CB 4.16Å; Y84-L133 HydrophobicContact CE1-CD1 3.86Å; Q90-L133 HydrophobicContact CB-CD1 4.23Å; F129-L133 HydrophobicContact CD2-CD1 3.92Å; F129-L133 HydrophobicContact CE2-CD1 4.47Å; F129-L133 PolarHBondContact O-N 2.91Å; S130-L133 PolarHBondContact O-N 2.96Å
134R95.1Very high94.3Very high66 Ų6653 Ų5325%0.24930%0.302CS..Hα-helixtrans-138.83.3-170.1-66.3-64.9179.2-92.7-1.9113.8L83 Y84 T87 Q90 S130L83-R134 PolarHBondContact O-NE 3.22Å; Y84-R134 HydrophobicContact CE1-CG 4.07Å; Y84-R134 HydrophobicContact CE2-CG 4.02Å; T87-R134 PolarHBondContact OG1-NH2 3.41Å; Q90-R134 VanDerWaalsContact OE1-NH1 3.08Å; S130-R134 PolarHBondContact O-N 2.85Å
135G94.1Very high94.2Very high31 Ų3153 Ų5332%0.3230%0.302SS..G310 helixtrans61.9-152.4-176.400000112.2S130 L131 E137 G138S130-G135 PolarHBondContact O-N 3.48Å; L131-G135 WeakPolarHBondContact O-CA 3.37Å; L131-G135 PolarHBondContact O-N 3.33Å; G135-E137 PolarHBondContact O-N 2.97Å; G135-G138 PolarHBondContact O-N 3.42Å
136T94Very high94.1Very high91 Ų9158.2 Ų58.256%0.55832%0.322SS*.G310 helixtrans-69.8-20.1-179.452.50000113.5L131 G138 W141L131-T136 HydrophobicContact CD2-CG2 4.32Å; T136-G138 VanDerWaalsContact C-N 3.29Å; T136-W141 HydrophobicContact CG2-CZ2 4.23Å; T136-W141 PolarHBondContact O-NE1 2.81Å
137E92.7Very high94Very high156 Ų15659.2 Ų59.273%0.72933%0.327SS*.G310 helixtrans-70.2-28.7177.5-62.9-176.5170.200111.6L83 G135 I139L83-E137 HydrophobicContact CD1-CB 4.36Å; L83-E137 WeakPolarHBondContact CD1-O 3.33Å; G135-E137 PolarHBondContact O-N 2.97Å; E137-I139 PolarHBondContact O-N 3.28Å; E137-I139 VanDerWaalsContact O-N 3.08Å
138G90.4Very high93.9Very high0 Ų060.3 Ų60.30%033%0.334CS..G310 helixtrans-67.7-3.3178.100000115.7V79 D80 S130 G135 T136V79-G138 WeakPolarHBondContact CA-O 3.32Å; D80-G138 PolarHBondContact N-O 2.85Å; S130-G138 VanDerWaalsContact OG-C 3.31Å; S130-G138 WeakPolarHBondContact OG-CA 3.22Å; S130-G138 PolarHBondContact OG-O 3.24Å; G135-G138 PolarHBondContact O-N 3.42Å; T136-G138 VanDerWaalsContact C-N 3.29Å
139I93.5Very high93.9Very high8 Ų860.7 Ų60.74%0.04134%0.337CS..BIsolated β-bridgetrans-115.6132.6-170.1-62.4167.9000110.2V127 L131 E137 W141 I144V127-I139 HydrophobicContact CG1-CD1 3.87Å; L131-I139 HydrophobicContact CD2-CD1 3.38Å; L131-I139 HydrophobicContact CG-CD1 3.72Å; E137-I139 PolarHBondContact O-N 3.28Å; E137-I139 VanDerWaalsContact O-N 3.08Å; I139-W141 HydrophobicContact CB-CD2 4.4Å; I139-W141 HydrophobicContact CB-CZ2 4.19Å; I139-W141 HydrophobicContact CD1-CH2 3.98Å; I139-W141 HydrophobicContact CD1-CZ2 3.68Å; I139-W141 HydrophobicContact CG2-CD2 3.89Å; I139-W141 HydrophobicContact CG2-CE3 4.17Å; I139-W141 HydrophobicContact CG2-CG 4.27Å; I139-W141 HydrophobicContact CG2-CH2 4.5Å; I139-W141 HydrophobicContact CG2-CZ2 4.22Å; I139-W141 HydrophobicContact CG2-CZ3 4.46Å; I139-W141 PolarHBondContact O-N 2.93Å; I139-W141 VanDerWaalsContact O-N 3.09Å; I139-I144 HydrophobicContact CG2-CG1 3.77Å
140S92Very high93.9Very high26 Ų2662.3 Ų62.318%0.18235%0.351CS..  trans-81.783.1171.2-123.80000110.3G77 V78 T142 Q143 I144G77-S140 WeakPolarHBondContact O-CB 3.33Å; V78-S140 PolarHBondContact O-N 3.49Å; S140-T142 VanDerWaalsContact C-N 3.28Å; S140-T142 PolarHBondContact O-N 3.45Å; S140-Q143 PolarHBondContact O-N 3.33Å; S140-Q143 PolarHBondContact O-OE1 3.14Å; S140-Q143 VanDerWaalsContact OG-CD 3.27Å; S140-Q143 PolarHBondContact OG-OE1 3.49Å; S140-I144 WeakPolarHBondContact O-CG1 3.14Å; S140-I144 PolarHBondContact O-N 3.02Å
141W93.3Very high93.8Very high141 Ų14165.7 Ų65.753%0.53436%0.364SS..Hα-helixtrans-61.2-33.2-172.5-70103.2000114.1T136 I139 I144 G145T136-W141 HydrophobicContact CG2-CZ2 4.23Å; T136-W141 PolarHBondContact O-NE1 2.81Å; I139-W141 HydrophobicContact CB-CD2 4.4Å; I139-W141 HydrophobicContact CB-CZ2 4.19Å; I139-W141 HydrophobicContact CD1-CH2 3.98Å; I139-W141 HydrophobicContact CD1-CZ2 3.68Å; I139-W141 HydrophobicContact CG2-CD2 3.89Å; I139-W141 HydrophobicContact CG2-CE3 4.17Å; I139-W141 HydrophobicContact CG2-CG 4.27Å; I139-W141 HydrophobicContact CG2-CH2 4.5Å; I139-W141 HydrophobicContact CG2-CZ2 4.22Å; I139-W141 HydrophobicContact CG2-CZ3 4.46Å; I139-W141 PolarHBondContact O-N 2.93Å; I139-W141 VanDerWaalsContact O-N 3.09Å; W141-I144 PolarHBondContact O-N 2.63Å; W141-G145 PolarHBondContact O-N 3.37Å
142T92.6Very high93.8Very high101 Ų10169.3 Ų69.362%0.6238%0.377SS*.Hα-helixtrans-62.5-48.9177-57.30000110.8S140 G145 E146S140-T142 VanDerWaalsContact C-N 3.28Å; S140-T142 PolarHBondContact O-N 3.45Å; T142-G145 WeakPolarHBondContact O-CA 3.34Å; T142-G145 PolarHBondContact O-N 2.89Å; T142-G145 VanDerWaalsContact O-N 3.12Å; T142-E146 PolarHBondContact O-N 3.3Å
143Q91.4Very high93.8Very high69 Ų6967.9 Ų67.932%0.32236%0.364SS..Hα-helixtrans-69.9-37.1-179.8-66.577.5-0.800111.2G77 S140 G145 E146 I147G77-Q143 WeakPolarHBondContact O-CB 3.28Å; S140-Q143 PolarHBondContact O-N 3.33Å; S140-Q143 PolarHBondContact O-OE1 3.14Å; S140-Q143 VanDerWaalsContact OG-CD 3.27Å; S140-Q143 PolarHBondContact OG-OE1 3.49Å; Q143-G145 VanDerWaalsContact C-N 3.27Å; Q143-G145 PolarHBondContact O-N 3.47Å; Q143-E146 WeakPolarHBondContact O-CB 3.28Å; Q143-E146 PolarHBondContact O-N 2.93Å; Q143-I147 VanDerWaalsContact O-CG1 3.26Å; Q143-I147 WeakPolarHBondContact O-CG1 3.29Å; Q143-I147 PolarHBondContact O-N 3.16Å
144I93Very high93.8Very high21 Ų2168.4 Ų68.411%0.10837%0.373CS..Hα-helixtrans-58.1-43.3169.1-72-61000110.5V78 V123 V127 I139 S140 W141 E146 I147 V148V78-I144 HydrophobicContact CB-CD1 4.34Å; V78-I144 HydrophobicContact CG1-CD1 3.84Å; V78-I144 HydrophobicContact CG2-CD1 4.29Å; V123-I144 HydrophobicContact CG1-CD1 3.98Å; V127-I144 HydrophobicContact CG2-CD1 4Å; I139-I144 HydrophobicContact CG2-CG1 3.77Å; S140-I144 WeakPolarHBondContact O-CG1 3.14Å; S140-I144 PolarHBondContact O-N 3.02Å; W141-I144 PolarHBondContact O-N 2.63Å; I144-E146 VanDerWaalsContact C-N 3.34Å; I144-E146 PolarHBondContact O-N 3.15Å; I144-I147 HydrophobicContact CD1-CD1 4.37Å; I144-I147 PolarHBondContact O-N 3.08Å; I144-V148 HydrophobicContact CG2-CG2 4.23Å; I144-V148 WeakPolarHBondContact O-CB 3.33Å; I144-V148 VanDerWaalsContact O-CG2 3.28Å; I144-V148 WeakPolarHBondContact O-CG2 3.31Å; I144-V148 PolarHBondContact O-N 3.42Å
145G94.1Very high93.8Very high43 Ų4369.4 Ų69.444%0.44339%0.388SS..Hα-helixtrans-58.5-43.1174.800000112.9W141 T142 Q143 V148 G149W141-G145 PolarHBondContact O-N 3.37Å; T142-G145 WeakPolarHBondContact O-CA 3.34Å; T142-G145 PolarHBondContact O-N 2.89Å; T142-G145 VanDerWaalsContact O-N 3.12Å; Q143-G145 VanDerWaalsContact C-N 3.27Å; Q143-G145 PolarHBondContact O-N 3.47Å; G145-V148 PolarHBondContact O-N 2.9Å; G145-G149 PolarHBondContact O-N 3.49Å
146E93.5Very high94Very high133 Ų13373.7 Ų73.762%0.62140%0.403SS*.Hα-helixtrans-63.7-44.5174.8-67.6173.9175.600112.1T142 Q143 I144 G149 S150T142-E146 PolarHBondContact O-N 3.3Å; Q143-E146 WeakPolarHBondContact O-CB 3.28Å; Q143-E146 PolarHBondContact O-N 2.93Å; I144-E146 VanDerWaalsContact C-N 3.34Å; I144-E146 PolarHBondContact O-N 3.15Å; E146-G149 PolarHBondContact O-N 3.15Å; E146-S150 PolarHBondContact O-N 3.3Å
147I93.2Very high94.2Very high22 Ų2274 Ų7411%0.11340%0.401CS..Hα-helixtrans-60-50.1176.2-69.6166.1000110V78 V123 Q143 I144 G149 S150 W151V78-I147 HydrophobicContact CG2-CD1 4.06Å; V123-I147 HydrophobicContact CG2-CG2 4.45Å; Q143-I147 VanDerWaalsContact O-CG1 3.26Å; Q143-I147 WeakPolarHBondContact O-CG1 3.29Å; Q143-I147 PolarHBondContact O-N 3.16Å; I144-I147 HydrophobicContact CD1-CD1 4.37Å; I144-I147 PolarHBondContact O-N 3.08Å; I147-G149 PolarHBondContact O-N 3.11Å; I147-S150 WeakPolarHBondContact O-CB 3.42Å; I147-S150 PolarHBondContact O-N 3.44Å; I147-S150 VanDerWaalsContact O-N 3.15Å; I147-S150 PolarHBondContact O-OG 3.31Å; I147-W151 HydrophobicContact CG2-CD2 4.39Å; I147-W151 VanDerWaalsContact CG2-CE2 3.47Å; I147-W151 HydrophobicContact CG2-CH2 4.45Å; I147-W151 HydrophobicContact CG2-CZ2 3.51Å; I147-W151 PolarHBondContact O-N 2.95Å; I147-W151 VanDerWaalsContact O-N 3.14Å
148V94.3Very high94.4Very high53 Ų5370.4 Ų70.432%0.32139%0.392SS..Hα-helixtrans-62.8-42.9179.1171.90000110.8I144 G145 S150 W151 F152I144-V148 HydrophobicContact CG2-CG2 4.23Å; I144-V148 WeakPolarHBondContact O-CB 3.33Å; I144-V148 VanDerWaalsContact O-CG2 3.28Å; I144-V148 WeakPolarHBondContact O-CG2 3.31Å; I144-V148 PolarHBondContact O-N 3.42Å; G145-V148 PolarHBondContact O-N 2.9Å; V148-S150 VanDerWaalsContact C-N 3.27Å; V148-S150 PolarHBondContact O-N 2.81Å; V148-W151 HydrophobicContact CG2-CE3 4.28Å; V148-W151 HydrophobicContact CG2-CZ3 4.24Å; V148-W151 WeakPolarHBondContact O-CB 3.3Å; V148-W151 PolarHBondContact O-N 3.46Å; V148-W151 VanDerWaalsContact O-N 3.08Å; V148-F152 HydrophobicContact CG1-CD2 4.31Å; V148-F152 HydrophobicContact CG1-CE2 3.85Å; V148-F152 VanDerWaalsContact O-CD2 3.26Å; V148-F152 WeakPolarHBondContact O-CD2 3.49Å; V148-F152 PolarHBondContact O-N 3.06Å
149G95.7Very high94.7Very high39 Ų3972.1 Ų72.140%0.40241%0.41SS..Hα-helixtrans-56.6-42173.800000112.1G145 E146 I147 W151 F152 L153G145-G149 PolarHBondContact O-N 3.49Å; E146-G149 PolarHBondContact O-N 3.15Å; I147-G149 PolarHBondContact O-N 3.11Å; G149-W151 VanDerWaalsContact C-N 3.29Å; G149-W151 PolarHBondContact O-N 3.37Å; G149-F152 PolarHBondContact O-N 2.96Å; G149-L153 WeakPolarHBondContact O-CB 3.05Å; G149-L153 PolarHBondContact O-N 2.65Å
150S94.6Very high94.9Very high51 Ų5174.3 Ų74.336%0.35743%0.429SS..Hα-helixtrans-63.7-31.5176.584.30000113.1E146 I147 V148 F152 L153 S154E146-S150 PolarHBondContact O-N 3.3Å; I147-S150 WeakPolarHBondContact O-CB 3.42Å; I147-S150 PolarHBondContact O-N 3.44Å; I147-S150 VanDerWaalsContact O-N 3.15Å; I147-S150 PolarHBondContact O-OG 3.31Å; V148-S150 VanDerWaalsContact C-N 3.27Å; V148-S150 PolarHBondContact O-N 2.81Å; S150-F152 VanDerWaalsContact C-N 3.31Å; S150-F152 PolarHBondContact O-N 2.72Å; S150-L153 PolarHBondContact O-N 3.5Å; S150-S154 VanDerWaalsContact O-CB 3.24Å; S150-S154 WeakPolarHBondContact O-CB 3.39Å; S150-S154 PolarHBondContact O-N 3.21Å; S150-S154 PolarHBondContact O-OG 3.34Å
151W94.8Very high95.2Very high70 Ų7077 Ų7727%0.26545%0.445SS..Hα-helixtrans-68.7-28.6179.1-62.5-10.3000113H120 V123 I147 V148 G149 P155H120-W151 HydrophobicContact CB-CH2 4.25Å; H120-W151 AromaticContact CD2-CD2 3.3Å; H120-W151 AromaticContact CD2-CE2 3.2Å; H120-W151 AromaticContact CD2-CE3 3.5Å; H120-W151 AromaticContact CD2-CG 3.96Å; H120-W151 AromaticContact CD2-CH2 3.54Å; H120-W151 AromaticContact CD2-CZ2 3.34Å; H120-W151 WeakPolarHBondContact CD2-CZ2 3.49Å; H120-W151 AromaticContact CD2-CZ3 3.62Å; H120-W151 AromaticContact CD2-NE1 3.79Å; H120-W151 AromaticContact CE1-CE3 3.97Å; H120-W151 AromaticContact CG-CH2 3.99Å; H120-W151 AromaticContact CG-CZ3 3.99Å; H120-W151 AromaticContact NE2-CD1 3.85Å; H120-W151 AromaticContact NE2-CD2 3.13Å; H120-W151 AromaticContact NE2-CE2 3.53Å; H120-W151 AromaticContact NE2-CE3 3.4Å; H120-W151 AromaticContact NE2-CG 3.38Å; H120-W151 AromaticContact NE2-CZ3 3.99Å; H120-W151 AromaticContact NE2-NE1 3.93Å; V123-W151 HydrophobicContact CB-CH2 4.26Å; V123-W151 HydrophobicContact CB-CZ2 4.08Å; V123-W151 HydrophobicContact CG1-CH2 4.12Å; V123-W151 HydrophobicContact CG1-CZ2 4.16Å; V123-W151 HydrophobicContact CG2-CZ2 4.15Å; I147-W151 HydrophobicContact CG2-CD2 4.39Å; I147-W151 VanDerWaalsContact CG2-CE2 3.47Å; I147-W151 HydrophobicContact CG2-CH2 4.45Å; I147-W151 HydrophobicContact CG2-CZ2 3.51Å; I147-W151 PolarHBondContact O-N 2.95Å; I147-W151 VanDerWaalsContact O-N 3.14Å; V148-W151 HydrophobicContact CG2-CE3 4.28Å; V148-W151 HydrophobicContact CG2-CZ3 4.24Å; V148-W151 WeakPolarHBondContact O-CB 3.3Å; V148-W151 PolarHBondContact O-N 3.46Å; V148-W151 VanDerWaalsContact O-N 3.08Å; G149-W151 VanDerWaalsContact C-N 3.29Å; G149-W151 PolarHBondContact O-N 3.37Å; W151-P155 WeakPolarHBondContact O-CD 3.41Å; W151-P155 VanDerWaalsContact O-CG 3.31Å; W151-P155 WeakPolarHBondContact O-CG 3.3Å
152F95.8Very high95.3Very high153 Ų15373.9 Ų73.967%0.67144%0.444SS*.Hα-helixtrans-85.9-40.6173-68.6-79.3000112V148 G149 S150 P155V148-F152 HydrophobicContact CG1-CD2 4.31Å; V148-F152 HydrophobicContact CG1-CE2 3.85Å; V148-F152 VanDerWaalsContact O-CD2 3.26Å; V148-F152 WeakPolarHBondContact O-CD2 3.49Å; V148-F152 PolarHBondContact O-N 3.06Å; G149-F152 PolarHBondContact O-N 2.96Å; S150-F152 VanDerWaalsContact C-N 3.31Å; S150-F152 PolarHBondContact O-N 2.72Å; F152-P155 WeakPolarHBondContact O-CD 3.24Å
153L96.5Very high95.6Very high93 Ų9373.5 Ų73.549%0.48744%0.442SS..Hα-helixtrans-68.6-36.7-176.9-171.460.6000111.9G149 S150 L156 L157G149-L153 WeakPolarHBondContact O-CB 3.05Å; G149-L153 PolarHBondContact O-N 2.65Å; S150-L153 PolarHBondContact O-N 3.5Å; L153-L156 PolarHBondContact O-N 3.3Å; L153-L157 HydrophobicContact CD1-CD1 4.05Å; L153-L157 HydrophobicContact CD1-CD2 4.44Å; L153-L157 HydrophobicContact CD1-CG 3.96Å; L153-L157 HydrophobicContact CD2-CD1 4.22Å; L153-L157 HydrophobicContact CG-CD1 3.72Å; L153-L157 HydrophobicContact CG-CG 4.06Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.16Å
154S95.5Very high95.9Very high70 Ų7074.1 Ų74.149%0.4945%0.45SS..Hα-helixtrans-65.1-49.2-175.7-55.80000113.3S150 L156 L157 S158S150-S154 VanDerWaalsContact O-CB 3.24Å; S150-S154 WeakPolarHBondContact O-CB 3.39Å; S150-S154 PolarHBondContact O-N 3.21Å; S150-S154 PolarHBondContact O-OG 3.34Å; S154-L156 VanDerWaalsContact C-N 3.32Å; S154-L156 PolarHBondContact O-N 2.93Å; S154-L157 PolarHBondContact O-N 3.14Å; S154-S158 WeakPolarHBondContact O-CB 3.39Å; S154-S158 PolarHBondContact O-N 3.48Å
155P95.8Very high96.1Very high86 Ų8676.7 Ų76.756%0.55846%0.464SS*.Hα-helixtrans-62.1-37.1173.7-24.235.2000113.2W151 F152 G159W151-P155 WeakPolarHBondContact O-CD 3.41Å; W151-P155 VanDerWaalsContact O-CG 3.31Å; W151-P155 WeakPolarHBondContact O-CG 3.3Å; F152-P155 WeakPolarHBondContact O-CD 3.24Å; P155-G159 PolarHBondContact O-N 3.16Å
156L97.5Very high96.2Very high122 Ų12281.6 Ų81.664%0.63947%0.47SS*.Hα-helixtrans-64.5-49.8178.6-178.165.6000111.5L153 S154 G159 A160L153-L156 PolarHBondContact O-N 3.3Å; S154-L156 VanDerWaalsContact C-N 3.32Å; S154-L156 PolarHBondContact O-N 2.93Å; L156-G159 PolarHBondContact O-N 3.05Å; L156-A160 PolarHBondContact O-N 2.97Å
157L97.3Very high96.4Very high97 Ų9778.4 Ų78.451%0.50846%0.459SS..Hα-helixtrans-65.3-41.2176.9-69.1179.2000111.5L153 S154 G159 A160 V161L153-L157 HydrophobicContact CD1-CD1 4.05Å; L153-L157 HydrophobicContact CD1-CD2 4.44Å; L153-L157 HydrophobicContact CD1-CG 3.96Å; L153-L157 HydrophobicContact CD2-CD1 4.22Å; L153-L157 HydrophobicContact CG-CD1 3.72Å; L153-L157 HydrophobicContact CG-CG 4.06Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.16Å; S154-L157 PolarHBondContact O-N 3.14Å; L157-G159 VanDerWaalsContact C-N 3.35Å; L157-G159 PolarHBondContact O-N 3.37Å; L157-A160 PolarHBondContact O-N 2.72Å; L157-V161 WeakPolarHBondContact O-CB 3.41Å; L157-V161 VanDerWaalsContact O-CG2 3.32Å; L157-V161 WeakPolarHBondContact O-CG2 3.32Å; L157-V161 PolarHBondContact O-N 3.44Å
158S96.9Very high96.6Very high80 Ų8080.9 Ų80.956%0.55947%0.472SS*.Hα-helixtrans-60.4-43.9174.9-178.30000111.6S154 V161 S162S154-S158 WeakPolarHBondContact O-CB 3.39Å; S154-S158 PolarHBondContact O-N 3.48Å; S158-V161 PolarHBondContact O-N 2.95Å; S158-S162 WeakPolarHBondContact O-CB 3.49Å; S158-S162 PolarHBondContact O-N 3.02Å
159G97.6Very high96.7Very high36 Ų3680.4 Ų80.437%0.37147%0.469SS..Hα-helixtrans-61.4-45.8174.700000112.4P155 L156 L157 S162 V163P155-G159 PolarHBondContact O-N 3.16Å; L156-G159 PolarHBondContact O-N 3.05Å; L157-G159 VanDerWaalsContact C-N 3.35Å; L157-G159 PolarHBondContact O-N 3.37Å; G159-S162 PolarHBondContact O-N 3.32Å; G159-V163 WeakPolarHBondContact O-CG2 3.21Å; G159-V163 PolarHBondContact O-N 2.83Å
160A98.1Very high96.8Very high54 Ų5481.2 Ų81.245%0.44646%0.463SS..Hα-helixtrans-60.5-49.5176.400000111.8L156 L157 S162 V163 T164L156-A160 PolarHBondContact O-N 2.97Å; L157-A160 PolarHBondContact O-N 2.72Å; A160-S162 PolarHBondContact O-N 2.9Å; A160-V163 PolarHBondContact O-N 3.13Å; A160-T164 PolarHBondContact O-N 3.21Å; A160-T164 PolarHBondContact O-OG1 3.37Å; A160-T164 VanDerWaalsContact O-OG1 3.06Å
161V97.2Very high96.8Very high84 Ų8486.6 Ų86.651%0.50948%0.476SS..Hα-helixtrans-61.2-43.8177172.10000111L157 S158 V163 T164 L165L157-V161 WeakPolarHBondContact O-CB 3.41Å; L157-V161 VanDerWaalsContact O-CG2 3.32Å; L157-V161 WeakPolarHBondContact O-CG2 3.32Å; L157-V161 PolarHBondContact O-N 3.44Å; S158-V161 PolarHBondContact O-N 2.95Å; V161-V163 PolarHBondContact O-N 2.84Å; V161-T164 PolarHBondContact O-N 3.02Å; V161-L165 HydrophobicContact CG1-CD1 3.88Å; V161-L165 HydrophobicContact CG1-CG 4.18Å; V161-L165 WeakPolarHBondContact O-CB 3.36Å; V161-L165 VanDerWaalsContact O-CG 3.29Å; V161-L165 WeakPolarHBondContact O-CG 3.21Å; V161-L165 PolarHBondContact O-N 3.34Å
162S97.1Very high96.8Very high74 Ų7486.3 Ų86.352%0.51749%0.485SS..Hα-helixtrans-59.4-45.1177.4-177.70000111.8S158 G159 A160 L165 Y166S158-S162 WeakPolarHBondContact O-CB 3.49Å; S158-S162 PolarHBondContact O-N 3.02Å; G159-S162 PolarHBondContact O-N 3.32Å; A160-S162 PolarHBondContact O-N 2.9Å; S162-L165 PolarHBondContact O-N 3.35Å; S162-Y166 WeakPolarHBondContact O-CB 3.17Å; S162-Y166 PolarHBondContact O-N 2.98Å
163V98.2Very high96.8Very high93 Ų9380 Ų8056%0.56446%0.458SS*.Hα-helixtrans-63.6-45.4176170.70000110.8G159 A160 V161 L165 Y166 V167G159-V163 WeakPolarHBondContact O-CG2 3.21Å; G159-V163 PolarHBondContact O-N 2.83Å; A160-V163 PolarHBondContact O-N 3.13Å; V161-V163 PolarHBondContact O-N 2.84Å; V163-L165 PolarHBondContact O-N 2.88Å; V163-Y166 PolarHBondContact O-N 3.39Å; V163-V167 HydrophobicContact CG1-CG2 4.39Å; V163-V167 WeakPolarHBondContact O-CB 3.45Å; V163-V167 VanDerWaalsContact O-CG2 3.3Å; V163-V167 WeakPolarHBondContact O-CG2 3.5Å; V163-V167 PolarHBondContact O-N 3.42Å
164T97.8Very high96.7Very high82 Ų8279.2 Ų79.250%0.50345%0.454SS..Hα-helixtrans-59.3-47.4177-58.70000111.7A160 V161 Y166 V167 I168A160-T164 PolarHBondContact O-N 3.21Å; A160-T164 PolarHBondContact O-OG1 3.37Å; A160-T164 VanDerWaalsContact O-OG1 3.06Å; V161-T164 PolarHBondContact O-N 3.02Å; T164-Y166 PolarHBondContact O-N 3.43Å; T164-V167 PolarHBondContact O-N 3.39Å; T164-I168 HydrophobicContact CG2-CD1 4Å; T164-I168 VanDerWaalsContact O-CG1 3.29Å; T164-I168 WeakPolarHBondContact O-CG1 3.38Å; T164-I168 PolarHBondContact O-N 3.35Å
165L96.7Very high96.7Very high76 Ų7679.2 Ų79.240%0.39845%0.454SS..Hα-helixtrans-62.4-43177.5-71.4178.9000111.8V161 S162 V163 I168 V169 W190V161-L165 HydrophobicContact CG1-CD1 3.88Å; V161-L165 HydrophobicContact CG1-CG 4.18Å; V161-L165 WeakPolarHBondContact O-CB 3.36Å; V161-L165 VanDerWaalsContact O-CG 3.29Å; V161-L165 WeakPolarHBondContact O-CG 3.21Å; V161-L165 PolarHBondContact O-N 3.34Å; S162-L165 PolarHBondContact O-N 3.35Å; V163-L165 PolarHBondContact O-N 2.88Å; L165-I168 PolarHBondContact O-N 3.46Å; L165-V169 WeakPolarHBondContact O-CG2 3.48Å; L165-V169 PolarHBondContact O-N 2.8Å; L165-W190 HydrophobicContact CD2-CH2 3.9Å; L165-W190 HydrophobicContact CD2-CZ3 3.67Å
166Y97.1Very high96.6Very high145 Ų14576.7 Ų76.757%0.56944%0.437SS*.Hα-helixtrans-60.1-46.6175.7174.8-99.1000111.7S162 V163 T164 I168 V169 H170S162-Y166 WeakPolarHBondContact O-CB 3.17Å; S162-Y166 PolarHBondContact O-N 2.98Å; V163-Y166 PolarHBondContact O-N 3.39Å; T164-Y166 PolarHBondContact O-N 3.43Å; Y166-I168 VanDerWaalsContact C-N 3.34Å; Y166-I168 PolarHBondContact O-N 2.84Å; Y166-V169 PolarHBondContact O-N 2.86Å; Y166-H170 HydrophobicContact CE1-CB 4.41Å; Y166-H170 VanDerWaalsContact O-CB 3.24Å; Y166-H170 WeakPolarHBondContact O-CB 3.27Å; Y166-H170 PolarHBondContact O-N 3.07Å
167V97.8Very high96.4Very high66 Ų6681.4 Ų81.440%0.445%0.452SS..Hα-helixtrans-60-44.3177.21680000110.9V163 T164 H170 Y171V163-V167 HydrophobicContact CG1-CG2 4.39Å; V163-V167 WeakPolarHBondContact O-CB 3.45Å; V163-V167 VanDerWaalsContact O-CG2 3.3Å; V163-V167 WeakPolarHBondContact O-CG2 3.5Å; V163-V167 PolarHBondContact O-N 3.42Å; T164-V167 PolarHBondContact O-N 3.39Å; V167-H170 PolarHBondContact O-N 2.92Å; V167-Y171 HydrophobicContact CG1-CD2 3.75Å; V167-Y171 HydrophobicContact CG1-CE2 3.92Å; V167-Y171 VanDerWaalsContact O-CD2 3.31Å; V167-Y171 WeakPolarHBondContact O-CD2 3.5Å; V167-Y171 PolarHBondContact O-N 2.9Å
168I96.6Very high96.2Very high74 Ų7480.4 Ų80.438%0.37945%0.448SS..Hα-helixtrans-59.3-49.4176.2-69165.2000110.6T164 L165 Y166 S172 W190T164-I168 HydrophobicContact CG2-CD1 4Å; T164-I168 VanDerWaalsContact O-CG1 3.29Å; T164-I168 WeakPolarHBondContact O-CG1 3.38Å; T164-I168 PolarHBondContact O-N 3.35Å; L165-I168 PolarHBondContact O-N 3.46Å; Y166-I168 VanDerWaalsContact C-N 3.34Å; Y166-I168 PolarHBondContact O-N 2.84Å; I168-S172 WeakPolarHBondContact O-CA 3.42Å; I168-S172 WeakPolarHBondContact O-CB 3.12Å; I168-S172 PolarHBondContact O-N 2.77Å; I168-S172 PolarHBondContact O-OG 2.68Å; I168-W190 HydrophobicContact CG2-CH2 4.12Å; I168-W190 HydrophobicContact CG2-CZ2 4.16Å
169V96.6Very high96Very high43 Ų4378.7 Ų78.726%0.26143%0.434SS..Hα-helixtrans-64-43.1179.3169.40000111.2L165 Y166 I173 L174 W190L165-V169 WeakPolarHBondContact O-CG2 3.48Å; L165-V169 PolarHBondContact O-N 2.8Å; Y166-V169 PolarHBondContact O-N 2.86Å; V169-I173 HydrophobicContact CG1-CD1 4.34Å; V169-I173 WeakPolarHBondContact O-CA 3.16Å; V169-I173 VanDerWaalsContact O-CB 3.31Å; V169-I173 WeakPolarHBondContact O-CB 3.25Å; V169-I173 PolarHBondContact O-N 2.89Å; V169-L174 HydrophobicContact CG1-CD1 4.21Å; V169-L174 HydrophobicContact CG1-CG 4.22Å; V169-L174 PolarHBondContact O-N 2.97Å; V169-L174 VanDerWaalsContact O-N 3.12Å; V169-W190 HydrophobicContact CG2-CH2 4.08Å; V169-W190 HydrophobicContact CG2-CZ2 3.57Å
170H96.5Very high95.7Very high57 Ų5781.1 Ų81.126%0.26444%0.438SS..Iπ-helixtrans-59.5-54.4-179-177.479.1000111Y166 V167 L174 S175Y166-H170 HydrophobicContact CE1-CB 4.41Å; Y166-H170 VanDerWaalsContact O-CB 3.24Å; Y166-H170 WeakPolarHBondContact O-CB 3.27Å; Y166-H170 PolarHBondContact O-N 3.07Å; V167-H170 PolarHBondContact O-N 2.92Å; H170-L174 PolarHBondContact O-N 3.43Å; H170-S175 PolarHBondContact CE1-OG 2.96Å; H170-S175 PolarHBondContact NE2-OG 3.34Å; H170-S175 VanDerWaalsContact NE2-OG 3.13Å; H170-S175 WeakPolarHBondContact O-CB 3.43Å; H170-S175 PolarHBondContact O-N 3.46Å; H170-S175 PolarHBondContact O-OG 3.41Å
171Y95.3Very high95.4Very high163 Ų16384.3 Ų84.364%0.63944%0.442SS*.Iπ-helixtrans-77.2-34.9-177.7-71.2-68.5000113.8V167V167-Y171 HydrophobicContact CG1-CD2 3.75Å; V167-Y171 HydrophobicContact CG1-CE2 3.92Å; V167-Y171 VanDerWaalsContact O-CD2 3.31Å; V167-Y171 WeakPolarHBondContact O-CD2 3.5Å; V167-Y171 PolarHBondContact O-N 2.9Å
172S94.7Very high95.2Very high65 Ų6584.9 Ų84.946%0.45544%0.436SS..Iπ-helixtrans-83.8-22.7-175.4-49.70000113.6I168 T176I168-S172 WeakPolarHBondContact O-CA 3.42Å; I168-S172 WeakPolarHBondContact O-CB 3.12Å; I168-S172 PolarHBondContact O-N 2.77Å; I168-S172 PolarHBondContact O-OG 2.68Å; S172-T176 WeakPolarHBondContact O-CG2 3.32Å
173I95.9Very high95.1Very high19 Ų1982.2 Ų82.210%0.09742%0.42CS..Iπ-helixtrans-126-63.2-173.9-56.8169.9000110.6V169 S175 T176 P179 S186V169-I173 HydrophobicContact CG1-CD1 4.34Å; V169-I173 WeakPolarHBondContact O-CA 3.16Å; V169-I173 VanDerWaalsContact O-CB 3.31Å; V169-I173 WeakPolarHBondContact O-CB 3.25Å; V169-I173 PolarHBondContact O-N 2.89Å; I173-S175 PolarHBondContact O-N 3.43Å; I173-T176 WeakPolarHBondContact O-CB 3.18Å; I173-T176 PolarHBondContact O-N 3.13Å; I173-T176 PolarHBondContact O-OG1 2.95Å; I173-P179 WeakPolarHBondContact O-CA 3.33Å; I173-P179 WeakPolarHBondContact O-CB 3.41Å; I173-S186 VanDerWaalsContact CD1-OG 3.26Å; I173-S186 WeakPolarHBondContact CD1-OG 3.5Å
174L95.1Very high94.9Very high78 Ų7878.3 Ų78.341%0.40840%0.396SS..Iπ-helixtrans-70-36.1-166.2-61.4177.3000113.5V169 H170 T176V169-L174 HydrophobicContact CG1-CD1 4.21Å; V169-L174 HydrophobicContact CG1-CG 4.22Å; V169-L174 PolarHBondContact O-N 2.97Å; V169-L174 VanDerWaalsContact O-N 3.12Å; H170-L174 PolarHBondContact O-N 3.43Å; L174-T176 VanDerWaalsContact C-N 3.28Å; L174-T176 PolarHBondContact O-N 3.18Å
175S94.7Very high94.6Very high70 Ų7083.4 Ų83.449%0.4941%0.406SS..THydrogen-bonded Turntrans-88.310-179.4-60.70000113.5H170 I173H170-S175 PolarHBondContact CE1-OG 2.96Å; H170-S175 PolarHBondContact NE2-OG 3.34Å; H170-S175 VanDerWaalsContact NE2-OG 3.13Å; H170-S175 WeakPolarHBondContact O-CB 3.43Å; H170-S175 PolarHBondContact O-N 3.46Å; H170-S175 PolarHBondContact O-OG 3.41Å; I173-S175 PolarHBondContact O-N 3.43Å
176T93.9Very high94.6Very high32 Ų3281.1 Ų81.120%0.19640%0.396CS..SBendtrans-85.7160.7176.9700000111.8S172 I173 L174 D178 P179 Y182S172-T176 WeakPolarHBondContact O-CG2 3.32Å; I173-T176 WeakPolarHBondContact O-CB 3.18Å; I173-T176 PolarHBondContact O-N 3.13Å; I173-T176 PolarHBondContact O-OG1 2.95Å; L174-T176 VanDerWaalsContact C-N 3.28Å; L174-T176 PolarHBondContact O-N 3.18Å; T176-D178 PolarHBondContact O-N 3.16Å; T176-P179 WeakPolarHBondContact O-CD 3.35Å; T176-Y182 HydrophobicContact CG2-CD2 3.85Å; T176-Y182 HydrophobicContact CG2-CE2 4.24Å; T176-Y182 HydrophobicContact CG2-CG 4.08Å; T176-Y182 VanDerWaalsContact OG1-CD2 3.23Å; T176-Y182 WeakPolarHBondContact OG1-CD2 3.28Å
177K93.3Very high94.5Very high222 Ų22276 Ų7697%0.96538%0.378SS*.SBendtrans-62.3-24.6177.5-64.7-176179.9-178.60113.8
178D92.2Very high94.4Very high76 Ų7673.8 Ų73.841%0.40637%0.365SS..  trans-139.478.9-179.8-176.8-6.8000109.8T176 L180 K181 Y182T176-D178 PolarHBondContact O-N 3.16Å; D178-L180 PolarHBondContact O-N 3.49Å; D178-L180 PolarHBondContact OD1-N 2.68Å; D178-K181 HydrophobicContact CB-CB 4.12Å; D178-K181 PolarHBondContact O-N 2.9Å; D178-K181 PolarHBondContact OD1-N 3.34Å; D178-K181 VanDerWaalsContact OD1-N 3.11Å; D178-K181 WeakPolarHBondContact OD2-CB 3.08Å; D178-Y182 WeakPolarHBondContact O-CD2 3.31Å; D178-Y182 PolarHBondContact O-N 3.36Å
179P92.8Very high94.4Very high44 Ų4473.3 Ų73.329%0.28637%0.372SS..Hα-helixtrans-59-29.8-176.2-26.636.3000113.4I173 T176 G183I173-P179 WeakPolarHBondContact O-CA 3.33Å; I173-P179 WeakPolarHBondContact O-CB 3.41Å; T176-P179 WeakPolarHBondContact O-CD 3.35Å; P179-G183 WeakPolarHBondContact O-CA 3.24Å; P179-G183 PolarHBondContact O-N 2.87Å
180L91.5Very high94.4Very high87 Ų8775.5 Ų75.546%0.45538%0.376SS..Hα-helixtrans-67-45.4178.5179.361.9000111.2D178 G183 L184 F247D178-L180 PolarHBondContact O-N 3.49Å; D178-L180 PolarHBondContact OD1-N 2.68Å; L180-G183 PolarHBondContact O-N 3.43Å; L180-L184 HydrophobicContact CD1-CD1 4.03Å; L180-L184 HydrophobicContact CD1-CG 4.13Å; L180-L184 HydrophobicContact CG-CD1 4.2Å; L180-L184 WeakPolarHBondContact O-CB 3.44Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 2.91Å; L180-F247 HydrophobicContact CD1-CD2 4.13Å; L180-F247 HydrophobicContact CD1-CE2 3.85Å; L180-F247 HydrophobicContact CD1-CZ 4.24Å; L180-F247 HydrophobicContact CD2-CD2 4.41Å
181K92Very high94.4Very high121 Ų12178.3 Ų78.353%0.52639%0.385SS..Hα-helixtrans-61.8-47.6177.8177-178.1179-179.20111.8D178 R185D178-K181 HydrophobicContact CB-CB 4.12Å; D178-K181 PolarHBondContact O-N 2.9Å; D178-K181 PolarHBondContact OD1-N 3.34Å; D178-K181 VanDerWaalsContact OD1-N 3.11Å; D178-K181 WeakPolarHBondContact OD2-CB 3.08Å; K181-R185 VanDerWaalsContact O-CB 3.29Å; K181-R185 WeakPolarHBondContact O-CB 3.48Å; K181-R185 PolarHBondContact O-N 2.86Å
182Y94Very high94.5Very high96 Ų9674.2 Ų74.238%0.37637%0.371SS..Hα-helixtrans-70.9-36.6179.7-73.2-79.6000112T176 D178 R185 S186T176-Y182 HydrophobicContact CG2-CD2 3.85Å; T176-Y182 HydrophobicContact CG2-CE2 4.24Å; T176-Y182 HydrophobicContact CG2-CG 4.08Å; T176-Y182 VanDerWaalsContact OG1-CD2 3.23Å; T176-Y182 WeakPolarHBondContact OG1-CD2 3.28Å; D178-Y182 WeakPolarHBondContact O-CD2 3.31Å; D178-Y182 PolarHBondContact O-N 3.36Å; Y182-R185 PolarHBondContact O-N 3.22Å; Y182-S186 WeakPolarHBondContact O-CB 3.05Å; Y182-S186 PolarHBondContact O-N 3.39Å; Y182-S186 PolarHBondContact O-OG 2.99Å
183G94Very high94.6Very high17 Ų1773 Ų7318%0.17536%0.364CS..Hα-helixtrans-58.4-55173.900000111.4P179 L180 R185 S186 L187P179-G183 WeakPolarHBondContact O-CA 3.24Å; P179-G183 PolarHBondContact O-N 2.87Å; L180-G183 PolarHBondContact O-N 3.43Å; G183-R185 VanDerWaalsContact C-N 3.32Å; G183-R185 PolarHBondContact O-N 2.93Å; G183-S186 PolarHBondContact O-N 2.92Å; G183-S186 VanDerWaalsContact O-N 3.15Å; G183-S186 PolarHBondContact O-OG 3.02Å; G183-L187 PolarHBondContact O-N 3.22Å
184L93.7Very high94.6Very high11 Ų1174.4 Ų74.46%0.05838%0.379CS..Hα-helixtrans-60.8-39.5177.4-70.2175.4000112.5L180 S186 L187 I240 M243 K244L180-L184 HydrophobicContact CD1-CD1 4.03Å; L180-L184 HydrophobicContact CD1-CG 4.13Å; L180-L184 HydrophobicContact CG-CD1 4.2Å; L180-L184 WeakPolarHBondContact O-CB 3.44Å; L180-L184 WeakPolarHBondContact O-CG 3.48Å; L180-L184 PolarHBondContact O-N 2.91Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-S186 PolarHBondContact O-N 2.83Å; L184-L187 HydrophobicContact CD2-CD1 3.92Å; L184-L187 PolarHBondContact O-N 2.84Å; L184-I240 WeakPolarHBondContact O-CD1 2.99Å; L184-M243 HydrophobicContact CD2-CB 4Å; L184-M243 HydrophobicContact CD2-CE 3.77Å; L184-M243 HydrophobicContact CD2-SD 3.83Å; L184-K244 HydrophobicContact CD1-CG 3.76Å
185R93.2Very high94.6Very high190 Ų19072.5 Ų72.572%0.71737%0.371SS*.Hα-helixtrans-66.6-30.8178.3-174.2177.3-179.4178.41.1112.5K181 Y182 G183 P188K181-R185 VanDerWaalsContact O-CB 3.29Å; K181-R185 WeakPolarHBondContact O-CB 3.48Å; K181-R185 PolarHBondContact O-N 2.86Å; Y182-R185 PolarHBondContact O-N 3.22Å; G183-R185 VanDerWaalsContact C-N 3.32Å; G183-R185 PolarHBondContact O-N 2.93Å; R185-P188 WeakPolarHBondContact O-CD 3.29Å
186S95Very high94.8Very high27 Ų2769.9 Ų69.919%0.18935%0.352CS..Hα-helixtrans-77.8-22.6-179.874.80000113.7I173 Y182 G183 L184 A189 W190I173-S186 VanDerWaalsContact CD1-OG 3.26Å; I173-S186 WeakPolarHBondContact CD1-OG 3.5Å; Y182-S186 WeakPolarHBondContact O-CB 3.05Å; Y182-S186 PolarHBondContact O-N 3.39Å; Y182-S186 PolarHBondContact O-OG 2.99Å; G183-S186 PolarHBondContact O-N 2.92Å; G183-S186 VanDerWaalsContact O-N 3.15Å; G183-S186 PolarHBondContact O-OG 3.02Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-S186 PolarHBondContact O-N 2.83Å; S186-A189 WeakPolarHBondContact O-CB 3.37Å; S186-A189 PolarHBondContact O-N 2.84Å; S186-W190 VanDerWaalsContact O-CD1 3.26Å; S186-W190 PolarHBondContact O-N 3.43Å; S186-W190 PolarHBondContact OG-NE1 3.41Å
187L95Very high94.8Very high39 Ų3973.6 Ų73.620%0.20437%0.369CS..Hα-helixtrans-51.1-48.2-174.1-68.9175.9000114.1G183 L184 A189 W190 Y191 V235 I240 M243G183-L187 PolarHBondContact O-N 3.22Å; L184-L187 HydrophobicContact CD2-CD1 3.92Å; L184-L187 PolarHBondContact O-N 2.84Å; L187-A189 PolarHBondContact O-N 3.35Å; L187-W190 PolarHBondContact O-N 2.7Å; L187-Y191 HydrophobicContact CD2-CE2 4.39Å; L187-Y191 WeakPolarHBondContact O-CD2 3.29Å; L187-Y191 PolarHBondContact O-N 2.97Å; L187-V235 HydrophobicContact CB-CG1 3.96Å; L187-I240 HydrophobicContact CD1-CG1 4.44Å; L187-M243 HydrophobicContact CD1-CE 4.41Å; L187-M243 HydrophobicContact CD1-SD 3.85Å
188P96.6Very high94.8Very high19 Ų1967.8 Ų67.812%0.12335%0.348CS..Hα-helixtrans-59.5-36.1-179.1-25.137.6000112.7R185 F192 A232 V235 H236 I240R185-P188 WeakPolarHBondContact O-CD 3.29Å; P188-F192 WeakPolarHBondContact O-CB 3.42Å; P188-F192 PolarHBondContact O-N 3.5Å; P188-A232 HydrophobicContact CB-CB 4.05Å; P188-A232 VanDerWaalsContact O-CB 3.29Å; P188-A232 WeakPolarHBondContact O-CB 3.28Å; P188-V235 HydrophobicContact CG-CG1 4.37Å; P188-H236 HydrophobicContact CG-CB 3.99Å; P188-I240 HydrophobicContact CG-CD1 3.75Å
189A96.4Very high94.8Very high64 Ų6466.7 Ų66.753%0.52934%0.343SS..Hα-helixtrans-69.8-40.4178.600000111.9S186 L187 F192 A193S186-A189 WeakPolarHBondContact O-CB 3.37Å; S186-A189 PolarHBondContact O-N 2.84Å; L187-A189 PolarHBondContact O-N 3.35Å; A189-F192 WeakPolarHBondContact O-CB 3.41Å; A189-F192 PolarHBondContact O-N 3.26Å; A189-A193 WeakPolarHBondContact O-CB 3.29Å; A189-A193 PolarHBondContact O-N 3.33Å
190W96Very high94.8Very high88 Ų8866.5 Ų66.533%0.33334%0.338SS..Hα-helixtrans-64.6-46.2175.8-69.8118000112.3L165 I168 V169 S186 L187 A193 A194L165-W190 HydrophobicContact CD2-CH2 3.9Å; L165-W190 HydrophobicContact CD2-CZ3 3.67Å; I168-W190 HydrophobicContact CG2-CH2 4.12Å; I168-W190 HydrophobicContact CG2-CZ2 4.16Å; V169-W190 HydrophobicContact CG2-CH2 4.08Å; V169-W190 HydrophobicContact CG2-CZ2 3.57Å; S186-W190 VanDerWaalsContact O-CD1 3.26Å; S186-W190 PolarHBondContact O-N 3.43Å; S186-W190 PolarHBondContact OG-NE1 3.41Å; L187-W190 PolarHBondContact O-N 2.7Å; W190-A193 PolarHBondContact O-N 3.41Å; W190-A194 WeakPolarHBondContact O-CB 3.15Å; W190-A194 PolarHBondContact O-N 2.96Å
191Y96.7Very high94.8Very high117 Ų11764.4 Ų64.446%0.45933%0.331SS..Hα-helixtrans-67.7-36.4176.6-82.7-90.8000112.2L187 V195 T231 V235L187-Y191 HydrophobicContact CD2-CE2 4.39Å; L187-Y191 WeakPolarHBondContact O-CD2 3.29Å; L187-Y191 PolarHBondContact O-N 2.97Å; Y191-V195 WeakPolarHBondContact O-CB 3.35Å; Y191-V195 WeakPolarHBondContact O-CG2 3.35Å; Y191-V195 PolarHBondContact O-N 3.34Å; Y191-T231 HydrophobicContact CD1-CG2 4.36Å; Y191-V235 HydrophobicContact CD1-CG2 4.16Å; Y191-V235 HydrophobicContact CD2-CG1 4.25Å; Y191-V235 HydrophobicContact CD2-CG2 4.06Å; Y191-V235 HydrophobicContact CG-CG2 3.84Å
192F97.9Very high94.7Very high77 Ų7759.5 Ų59.534%0.33831%0.311SS..Hα-helixtrans-55.4-55171175.3-95.3000110.8P188 A189 T196 A229 A232P188-F192 WeakPolarHBondContact O-CB 3.42Å; P188-F192 PolarHBondContact O-N 3.5Å; A189-F192 WeakPolarHBondContact O-CB 3.41Å; A189-F192 PolarHBondContact O-N 3.26Å; F192-T196 WeakPolarHBondContact O-CB 3.48Å; F192-T196 PolarHBondContact O-N 3.35Å; F192-T196 PolarHBondContact O-OG1 2.94Å; F192-A229 HydrophobicContact CD2-CB 4.39Å; F192-A229 HydrophobicContact CE2-CB 4.17Å; F192-A232 HydrophobicContact CB-CB 3.96Å
193A96.8Very high94.5Very high38 Ų3857 Ų5731%0.31430%0.302SS..Hα-helixtrans-62.7-48.1-177.100000111.1A189 W190 V195 T196 I197A189-A193 WeakPolarHBondContact O-CB 3.29Å; A189-A193 PolarHBondContact O-N 3.33Å; W190-A193 PolarHBondContact O-N 3.41Å; A193-V195 PolarHBondContact O-N 2.86Å; A193-T196 PolarHBondContact O-N 3.16Å; A193-I197 WeakPolarHBondContact O-CB 3.45Å; A193-I197 WeakPolarHBondContact O-CD1 3.4Å; A193-I197 WeakPolarHBondContact O-CG1 3.23Å; A193-I197 PolarHBondContact O-N 3.35Å
194A96Very high94.1Very high49 Ų4960 Ų6041%0.40531%0.314SS..Hα-helixtrans-59.5-50-179.500000112.1W190 N198W190-A194 WeakPolarHBondContact O-CB 3.15Å; W190-A194 PolarHBondContact O-N 2.96Å; A194-N198 PolarHBondContact O-N 3.47Å; A194-N198 VanDerWaalsContact O-N 3.07Å; A194-N198 PolarHBondContact O-ND2 2.92Å
195V96.2Very high93.5Very high39 Ų3963.1 Ų63.124%0.23633%0.33CS..Hα-helixtrans-68.4-41.5180172.10000111.4Y191 A193 I197 N198 L199 T231Y191-V195 WeakPolarHBondContact O-CB 3.35Å; Y191-V195 WeakPolarHBondContact O-CG2 3.35Å; Y191-V195 PolarHBondContact O-N 3.34Å; A193-V195 PolarHBondContact O-N 2.86Å; V195-I197 PolarHBondContact O-N 3.21Å; V195-N198 PolarHBondContact O-N 3.27Å; V195-L199 HydrophobicContact CG1-CD1 3.64Å; V195-L199 HydrophobicContact CG1-CG 4.02Å; V195-L199 WeakPolarHBondContact O-CB 3.49Å; V195-L199 VanDerWaalsContact O-CG 3.31Å; V195-L199 WeakPolarHBondContact O-CG 3.42Å; V195-L199 PolarHBondContact O-N 3.19Å; V195-T231 HydrophobicContact CG2-CG2 3.93Å
196T97.1Very high92.9Very high15 Ų1554.3 Ų54.39%0.09230%0.299CS..Hα-helixtrans-61-45.6178.5-57.20000111F192 A193 M200F192-T196 WeakPolarHBondContact O-CB 3.48Å; F192-T196 PolarHBondContact O-N 3.35Å; F192-T196 PolarHBondContact O-OG1 2.94Å; A193-T196 PolarHBondContact O-N 3.16Å; T196-M200 WeakPolarHBondContact O-CB 3.48Å; T196-M200 PolarHBondContact O-N 3.4Å
197I94.7Very high92.1Very high109 Ų10953.4 Ų53.456%0.55929%0.293SS*.Hα-helixtrans-63.5-47.4179-68.9166.3000110.6A193 V195 M200 S201A193-I197 WeakPolarHBondContact O-CB 3.45Å; A193-I197 WeakPolarHBondContact O-CD1 3.4Å; A193-I197 WeakPolarHBondContact O-CG1 3.23Å; A193-I197 PolarHBondContact O-N 3.35Å; V195-I197 PolarHBondContact O-N 3.21Å; I197-M200 WeakPolarHBondContact O-CB 3.34Å; I197-M200 PolarHBondContact O-N 3.48Å; I197-S201 PolarHBondContact O-N 2.88Å; I197-S201 PolarHBondContact O-OG 2.98Å
198N93.2Very high91.4Very high100 Ų10056.2 Ų56.254%0.53531%0.305SS..Hα-helixtrans-64.7-43.1-179.8-80.6-85.8000112.2A194 V195 M200 S201 V202A194-N198 PolarHBondContact O-N 3.47Å; A194-N198 VanDerWaalsContact O-N 3.07Å; A194-N198 PolarHBondContact O-ND2 2.92Å; V195-N198 PolarHBondContact O-N 3.27Å; N198-M200 VanDerWaalsContact C-N 3.33Å; N198-S201 PolarHBondContact O-N 3.26Å; N198-V202 WeakPolarHBondContact O-CG2 3.36Å; N198-V202 PolarHBondContact O-N 2.77Å; N198-V202 VanDerWaalsContact O-N 3.1Å
199L93.3Very high90.5Very high54 Ų5462.3 Ų62.328%0.28334%0.336SS..Hα-helixtrans-64.6-40175-71.6179.5000111.3V195 S201 V202 F203V195-L199 HydrophobicContact CG1-CD1 3.64Å; V195-L199 HydrophobicContact CG1-CG 4.02Å; V195-L199 WeakPolarHBondContact O-CB 3.49Å; V195-L199 VanDerWaalsContact O-CG 3.31Å; V195-L199 WeakPolarHBondContact O-CG 3.42Å; V195-L199 PolarHBondContact O-N 3.19Å; L199-S201 VanDerWaalsContact C-N 3.32Å; L199-S201 PolarHBondContact O-N 2.88Å; L199-V202 WeakPolarHBondContact O-CB 3.45Å; L199-V202 PolarHBondContact O-N 2.92Å; L199-F203 HydrophobicContact CB-CD2 4.38Å; L199-F203 HydrophobicContact CB-CE2 4.19Å; L199-F203 WeakPolarHBondContact O-CD2 3.4Å; L199-F203 PolarHBondContact O-N 2.8Å
200M92.5Very high89.8Confident39 Ų3962.8 Ų62.819%0.19233%0.329CS..Hα-helixtrans-59-46.4176.2-169.572.468.600110.4T196 I197 N198 V202 F203 L204 I221 S224T196-M200 WeakPolarHBondContact O-CB 3.48Å; T196-M200 PolarHBondContact O-N 3.4Å; I197-M200 WeakPolarHBondContact O-CB 3.34Å; I197-M200 PolarHBondContact O-N 3.48Å; N198-M200 VanDerWaalsContact C-N 3.33Å; M200-V202 VanDerWaalsContact C-N 3.26Å; M200-V202 PolarHBondContact O-N 3.36Å; M200-F203 PolarHBondContact O-N 3.39Å; M200-F203 VanDerWaalsContact O-N 3.16Å; M200-L204 HydrophobicContact CG-CD1 3.55Å; M200-L204 HydrophobicContact CG-CG 3.96Å; M200-L204 WeakPolarHBondContact O-CB 3.4Å; M200-L204 VanDerWaalsContact O-CG 3.25Å; M200-L204 WeakPolarHBondContact O-CG 3.39Å; M200-L204 PolarHBondContact O-N 3.47Å; M200-L204 HydrophobicContact SD-CD1 4.1Å; M200-L204 HydrophobicContact SD-CD2 4.47Å; M200-L204 HydrophobicContact SD-CG 4.14Å; M200-I221 HydrophobicContact CE-CB 4.03Å; M200-I221 HydrophobicContact CE-CG1 3.74Å; M200-I221 HydrophobicContact CE-CG2 4.12Å; M200-I221 HydrophobicContact SD-CB 4.35Å; M200-I221 HydrophobicContact SD-CG1 3.65Å; M200-S224 VanDerWaalsContact CA-OG 3.3Å; M200-S224 WeakPolarHBondContact CA-OG 3.25Å; M200-S224 PolarHBondContact N-OG 3.3Å; M200-S224 VanDerWaalsContact N-OG 3.11Å
201S91.1Very high89.1Confident44 Ų4463.7 Ų63.731%0.30834%0.337SS..Hα-helixtrans-57.1-40.4174.4-620000111.9L66 I197 N198 L199 D205 G206L66-S201 VanDerWaalsContact CD2-O 3.28Å; L66-S201 WeakPolarHBondContact CD2-O 3.45Å; I197-S201 PolarHBondContact O-N 2.88Å; I197-S201 PolarHBondContact O-OG 2.98Å; N198-S201 PolarHBondContact O-N 3.26Å; L199-S201 VanDerWaalsContact C-N 3.32Å; L199-S201 PolarHBondContact O-N 2.88Å; S201-D205 CarbonylContact O-C 3.52Å; S201-D205 WeakPolarHBondContact O-CA 3.3Å; S201-D205 WeakPolarHBondContact O-CB 3.27Å; S201-D205 PolarHBondContact O-N 3.44Å; S201-G206 PolarHBondContact O-N 3.33Å
202V90.6Very high88.3Confident18 Ų1859.9 Ų59.911%0.10932%0.324CS..Hα-helixtrans-66.6-39177.3175.40000111.9L65 L66 N198 L199 M200 G206L65-V202 HydrophobicContact CB-CG1 4.28Å; L65-V202 HydrophobicContact CB-CG2 4.06Å; L65-V202 HydrophobicContact CD1-CG2 4.25Å; L65-V202 HydrophobicContact CD2-CG1 4.26Å; L66-V202 HydrophobicContact CD1-CG2 4.27Å; L66-V202 HydrophobicContact CD2-CB 4.38Å; L66-V202 HydrophobicContact CD2-CG2 3.94Å; L66-V202 HydrophobicContact CG-CG2 4Å; N198-V202 WeakPolarHBondContact O-CG2 3.36Å; N198-V202 PolarHBondContact O-N 2.77Å; N198-V202 VanDerWaalsContact O-N 3.1Å; L199-V202 WeakPolarHBondContact O-CB 3.45Å; L199-V202 PolarHBondContact O-N 2.92Å; M200-V202 VanDerWaalsContact C-N 3.26Å; M200-V202 PolarHBondContact O-N 3.36Å; V202-G206 WeakPolarHBondContact O-CA 3.46Å; V202-G206 PolarHBondContact O-N 3.46Å
203F88.7Confident87.3Confident44 Ų4461.1 Ų61.119%0.19333%0.334CS..Hα-helixtrans-79-31.8179.8-69.2-64.3000113.6L199 M200 M212 I215 A223 S224L199-F203 HydrophobicContact CB-CD2 4.38Å; L199-F203 HydrophobicContact CB-CE2 4.19Å; L199-F203 WeakPolarHBondContact O-CD2 3.4Å; L199-F203 PolarHBondContact O-N 2.8Å; M200-F203 PolarHBondContact O-N 3.39Å; M200-F203 VanDerWaalsContact O-N 3.16Å; F203-M212 HydrophobicContact CD1-SD 4.13Å; F203-M212 HydrophobicContact CE1-SD 4.24Å; F203-I215 HydrophobicContact CD1-CD1 3.74Å; F203-I215 HydrophobicContact CE1-CD1 3.79Å; F203-A223 HydrophobicContact CD2-CB 4.42Å; F203-A223 HydrophobicContact CE1-CB 4.48Å; F203-A223 HydrophobicContact CE2-CB 3.68Å; F203-A223 HydrophobicContact CZ-CB 3.72Å; F203-S224 VanDerWaalsContact CD2-OG 3.32Å; F203-S224 WeakPolarHBondContact CD2-OG 3.44Å
204L85.3Confident86.7Confident78 Ų7865.7 Ų65.741%0.40835%0.347SS..Hα-helixtrans-82.2-42178.9-64.9-178.2000112.4K69 M200 L217K69-L204 PolarHBondContact NZ-O 3.24Å; M200-L204 HydrophobicContact CG-CD1 3.55Å; M200-L204 HydrophobicContact CG-CG 3.96Å; M200-L204 WeakPolarHBondContact O-CB 3.4Å; M200-L204 VanDerWaalsContact O-CG 3.25Å; M200-L204 WeakPolarHBondContact O-CG 3.39Å; M200-L204 PolarHBondContact O-N 3.47Å; M200-L204 HydrophobicContact SD-CD1 4.1Å; M200-L204 HydrophobicContact SD-CD2 4.47Å; M200-L204 HydrophobicContact SD-CG 4.14Å; L204-L217 HydrophobicContact CD2-CD1 3.17Å
205D82.1Confident86.2Confident77 Ų7766.3 Ų66.341%0.41234%0.342SS..Hα-helixtrans-125.19.9-167.2-68.8-46.4000113.8K69 S201K69-D205 HydrophobicContact CD-CB 3.94Å; K69-D205 IonicContact NZ-OD1 3.37Å; K69-D205 PolarHBondContact NZ-OD1 2.87Å; S201-D205 CarbonylContact O-C 3.52Å; S201-D205 WeakPolarHBondContact O-CA 3.3Å; S201-D205 WeakPolarHBondContact O-CB 3.27Å; S201-D205 PolarHBondContact O-N 3.44Å
206G80.1Confident86Confident6 Ų667.4 Ų67.46%0.06235%0.35CS..  trans-68.5175.8-179.500000114.9L65 S201 V202 E208L65-G206 CarbonylContact O-C 3.48Å; L65-G206 WeakPolarHBondContact O-CA 3.4Å; S201-G206 PolarHBondContact O-N 3.33Å; V202-G206 WeakPolarHBondContact O-CA 3.46Å; V202-G206 PolarHBondContact O-N 3.46Å; G206-E208 PolarHBondContact O-N 3.16Å
207S78.5Confident85.6Confident8 Ų871.9 Ų71.96%0.05637%0.373CS..  trans-64124.7-176.2-171.10000113L65 L209 L210L65-S207 PolarHBondContact O-N 3.49Å; S207-L209 PolarHBondContact O-N 2.73Å; S207-L209 VanDerWaalsContact OG-CB 3.31Å; S207-L209 WeakPolarHBondContact OG-CB 3.31Å; S207-L209 PolarHBondContact OG-N 2.94Å; S207-L210 PolarHBondContact O-N 3.14Å
208E79.8Confident85.4Confident98 Ų9875.2 Ų75.246%0.45838%0.379SS..G310 helixtrans-58.2-27.2169-69.1177.2-176.700111.6Y68 G206 L210 Q211Y68-E208 HydrophobicContact CD1-CB 4.32Å; Y68-E208 HydrophobicContact CD1-CG 4.15Å; Y68-E208 HydrophobicContact CE1-CB 3.91Å; Y68-E208 HydrophobicContact CE1-CG 3.68Å; Y68-E208 WeakPolarHBondContact CE1-OE2 3.34Å; Y68-E208 VanDerWaalsContact CZ-OE2 3.27Å; Y68-E208 PolarHBondContact OH-OE2 3.49Å; G206-E208 PolarHBondContact O-N 3.16Å; E208-L210 PolarHBondContact O-N 3.39Å; E208-Q211 WeakPolarHBondContact O-CA 3.13Å; E208-Q211 PolarHBondContact O-N 3.31Å
209L76.8Confident85.4Confident147 Ų14771.1 Ų71.177%0.7736%0.36SS*.G310 helixtrans-61-33.1175.4-173.666.5000112S207 Q211S207-L209 PolarHBondContact O-N 2.73Å; S207-L209 VanDerWaalsContact OG-CB 3.31Å; S207-L209 WeakPolarHBondContact OG-CB 3.31Å; S207-L209 PolarHBondContact OG-N 2.94Å; L209-Q211 VanDerWaalsContact C-N 3.27Å
210L82.6Confident85.3Confident73 Ų7368.7 Ų68.738%0.38235%0.348SS..G310 helixtrans-89.15.7177.3-64175.4000112.4V64 L65 S207 E208 M212V64-L210 HydrophobicContact CG1-CD1 4.45Å; L65-L210 HydrophobicContact CD2-CD1 3.71Å; S207-L210 PolarHBondContact O-N 3.14Å; E208-L210 PolarHBondContact O-N 3.39Å; L210-M212 HydrophobicContact CB-CE 3.84Å; L210-M212 HydrophobicContact CB-CG 3.98Å; L210-M212 PolarHBondContact O-N 3.35Å
211Q82.2Confident85.4Confident107 Ų10770.2 Ų70.250%0.536%0.357SS..THydrogen-bonded Turntrans57.428.7-177.6-52-174.113.800113.5E208 L209 D213 K214E208-Q211 WeakPolarHBondContact O-CA 3.13Å; E208-Q211 PolarHBondContact O-N 3.31Å; L209-Q211 VanDerWaalsContact C-N 3.27Å; Q211-D213 VanDerWaalsContact CA-OD1 3.23Å; Q211-D213 WeakPolarHBondContact CA-OD1 3.26Å; Q211-D213 PolarHBondContact O-N 3.11Å; Q211-K214 HydrophobicContact CB-CD 4.08Å; Q211-K214 HydrophobicContact CB-CG 4.29Å; Q211-K214 WeakPolarHBondContact O-CB 3.41Å; Q211-K214 PolarHBondContact O-N 2.9Å; Q211-K214 VanDerWaalsContact O-N 3.14Å
212M79.4Confident85.6Confident38 Ų3872.9 Ų72.919%0.18737%0.367CS..G310 helixtrans-64.5-27.8178.9-67.4-66.1136.200111.6F203 L210 K214 I215F203-M212 HydrophobicContact CD1-SD 4.13Å; F203-M212 HydrophobicContact CE1-SD 4.24Å; L210-M212 HydrophobicContact CB-CE 3.84Å; L210-M212 HydrophobicContact CB-CG 3.98Å; L210-M212 PolarHBondContact O-N 3.35Å; M212-K214 PolarHBondContact O-N 3.33Å; M212-I215 PolarHBondContact O-N 3.1Å; M212-I215 HydrophobicContact SD-CD1 3.84Å
213D75.9Confident85.7Confident102 Ų10273.9 Ų73.955%0.54538%0.377SS..G310 helixtrans-60.8-22.9173.863.7-56.3000113.8Q211Q211-D213 VanDerWaalsContact CA-OD1 3.23Å; Q211-D213 WeakPolarHBondContact CA-OD1 3.26Å; Q211-D213 PolarHBondContact O-N 3.11Å
214K84.3Confident86.1Confident135 Ų13571.8 Ų71.859%0.58737%0.368SS*.G310 helixtrans-83.4-12.8179.1-59.5-171.8-173.2170.80113.6Q211 M212Q211-K214 HydrophobicContact CB-CD 4.08Å; Q211-K214 HydrophobicContact CB-CG 4.29Å; Q211-K214 WeakPolarHBondContact O-CB 3.41Å; Q211-K214 PolarHBondContact O-N 2.9Å; Q211-K214 VanDerWaalsContact O-N 3.14Å; M212-K214 PolarHBondContact O-N 3.33Å
215I86.1Confident86.6Confident61 Ų6170.4 Ų70.431%0.31336%0.364SS..SBendtrans-78.5125.5-179.6-61173.8000107.9F203 M212F203-I215 HydrophobicContact CD1-CD1 3.74Å; F203-I215 HydrophobicContact CE1-CD1 3.79Å; M212-I215 PolarHBondContact O-N 3.1Å; M212-I215 HydrophobicContact SD-CD1 3.84Å
216P90.7Very high87.3Confident63 Ų6370.1 Ų70.141%0.40937%0.365SS..  trans-63.9145.2178.828.3-35.4000110.4W218 G219 G220P216-W218 VanDerWaalsContact C-N 3.26Å; P216-W218 HydrophobicContact CB-CG 4.49Å; P216-W218 HydrophobicContact CG-CD2 4.42Å; P216-W218 HydrophobicContact CG-CZ2 3.92Å; P216-W218 PolarHBondContact O-N 3.37Å; P216-W218 VanDerWaalsContact O-N 3.13Å; P216-G219 VanDerWaalsContact O-CA 3.32Å; P216-G219 WeakPolarHBondContact O-CA 3.41Å; P216-G219 PolarHBondContact O-N 2.92Å; P216-G220 PolarHBondContact O-N 3.08Å
217L89Confident88.1Confident109 Ų10970.7 Ų70.757%0.57137%0.371SS*.Hα-helixtrans-48.4-45.7-176.8175.961.3000113.2L204 G219 G220 I221L204-L217 HydrophobicContact CD2-CD1 3.17Å; L217-G219 VanDerWaalsContact C-N 3.26Å; L217-G219 PolarHBondContact O-N 3.27Å; L217-G220 PolarHBondContact O-N 3.37Å; L217-I221 HydrophobicContact CD1-CD1 4.04Å; L217-I221 HydrophobicContact CD1-CG1 4.31Å; L217-I221 HydrophobicContact CG-CD1 3.93Å; L217-I221 WeakPolarHBondContact O-CG1 3.48Å; L217-I221 PolarHBondContact O-N 2.62Å
218W92.1Very high89Confident178 Ų17870.3 Ų70.367%0.67437%0.368SS*.Hα-helixtrans-62.8-33.9178.368-98.6000112.5P216 L222P216-W218 VanDerWaalsContact C-N 3.26Å; P216-W218 HydrophobicContact CB-CG 4.49Å; P216-W218 HydrophobicContact CG-CD2 4.42Å; P216-W218 HydrophobicContact CG-CZ2 3.92Å; P216-W218 PolarHBondContact O-N 3.37Å; P216-W218 VanDerWaalsContact O-N 3.13Å; W218-L222 HydrophobicContact CZ3-CD2 4.32Å; W218-L222 VanDerWaalsContact O-CB 3.26Å; W218-L222 WeakPolarHBondContact O-CB 3.41Å; W218-L222 PolarHBondContact O-N 3.15Å
219G91.8Very high89.8Confident14 Ų1468 Ų6814%0.14437%0.365CS..Hα-helixtrans-69.4-42.4176.900000111.4P216 L217 L222 A223P216-G219 VanDerWaalsContact O-CA 3.32Å; P216-G219 WeakPolarHBondContact O-CA 3.41Å; P216-G219 PolarHBondContact O-N 2.92Å; L217-G219 VanDerWaalsContact C-N 3.26Å; L217-G219 PolarHBondContact O-N 3.27Å; G219-L222 PolarHBondContact O-N 2.76Å; G219-A223 VanDerWaalsContact O-CB 3.24Å; G219-A223 WeakPolarHBondContact O-CB 3.48Å; G219-A223 PolarHBondContact O-N 3.14Å
220G92.1Very high90.8Very high3 Ų365.3 Ų65.33%0.03135%0.351CS..Hα-helixtrans-62.2-44.8173.300000112.5P216 L217 A223 S224P216-G220 PolarHBondContact O-N 3.08Å; L217-G220 PolarHBondContact O-N 3.37Å; G220-A223 PolarHBondContact O-N 3.45Å; G220-S224 VanDerWaalsContact O-CB 3.32Å; G220-S224 WeakPolarHBondContact O-CB 3.24Å; G220-S224 PolarHBondContact O-N 3.02Å; G220-S224 PolarHBondContact O-OG 2.92Å
221I94.2Very high91.5Very high72 Ų7263.6 Ų63.637%0.36934%0.344SS..Hα-helixtrans-60.8-49175.5-67.3166.4000110.8M200 L217 S224 C225M200-I221 HydrophobicContact CE-CB 4.03Å; M200-I221 HydrophobicContact CE-CG1 3.74Å; M200-I221 HydrophobicContact CE-CG2 4.12Å; M200-I221 HydrophobicContact SD-CB 4.35Å; M200-I221 HydrophobicContact SD-CG1 3.65Å; L217-I221 HydrophobicContact CD1-CD1 4.04Å; L217-I221 HydrophobicContact CD1-CG1 4.31Å; L217-I221 HydrophobicContact CG-CD1 3.93Å; L217-I221 WeakPolarHBondContact O-CG1 3.48Å; L217-I221 PolarHBondContact O-N 2.62Å; I221-S224 PolarHBondContact O-N 3.44Å; I221-C225 WeakPolarHBondContact O-CB 2.95Å; I221-C225 PolarHBondContact O-N 3.36Å; I221-C225 PolarHBondContact O-SG 3.47Å; I221-C225 VanDerWaalsContact O-SG 3.37Å
222L95.1Very high92.2Very high99 Ų9959.2 Ų59.252%0.51833%0.326SS..Hα-helixtrans-61.2-49.1179.9-178.864.9000111.2W218 G219 S224 C225 V226W218-L222 HydrophobicContact CZ3-CD2 4.32Å; W218-L222 VanDerWaalsContact O-CB 3.26Å; W218-L222 WeakPolarHBondContact O-CB 3.41Å; W218-L222 PolarHBondContact O-N 3.15Å; G219-L222 PolarHBondContact O-N 2.76Å; L222-S224 VanDerWaalsContact C-N 3.3Å; L222-S224 PolarHBondContact O-N 3.48Å; L222-C225 PolarHBondContact O-N 3.04Å; L222-V226 HydrophobicContact CD1-CG2 4.16Å; L222-V226 HydrophobicContact CG-CG2 4.38Å; L222-V226 WeakPolarHBondContact O-CB 3.33Å; L222-V226 WeakPolarHBondContact O-CG2 3.41Å; L222-V226 PolarHBondContact O-N 3.3Å
223A93.4Very high93.1Very high40 Ų4062.1 Ų62.133%0.33134%0.342SS..Hα-helixtrans-60.1-4117900000111.9F203 G219 G220 V226 G227F203-A223 HydrophobicContact CD2-CB 4.42Å; F203-A223 HydrophobicContact CE1-CB 4.48Å; F203-A223 HydrophobicContact CE2-CB 3.68Å; F203-A223 HydrophobicContact CZ-CB 3.72Å; G219-A223 VanDerWaalsContact O-CB 3.24Å; G219-A223 WeakPolarHBondContact O-CB 3.48Å; G219-A223 PolarHBondContact O-N 3.14Å; G220-A223 PolarHBondContact O-N 3.45Å; A223-V226 PolarHBondContact O-N 2.68Å; A223-G227 PolarHBondContact O-N 3.42Å
224S95.6Very high94.1Very high0 Ų061.5 Ų61.50%034%0.338CS..Hα-helixtrans-63.1-49.6176.9-57.40000112.1M200 F203 G220 I221 L222 V226 G227 G228M200-S224 VanDerWaalsContact CA-OG 3.3Å; M200-S224 WeakPolarHBondContact CA-OG 3.25Å; M200-S224 PolarHBondContact N-OG 3.3Å; M200-S224 VanDerWaalsContact N-OG 3.11Å; F203-S224 VanDerWaalsContact CD2-OG 3.32Å; F203-S224 WeakPolarHBondContact CD2-OG 3.44Å; G220-S224 VanDerWaalsContact O-CB 3.32Å; G220-S224 WeakPolarHBondContact O-CB 3.24Å; G220-S224 PolarHBondContact O-N 3.02Å; G220-S224 PolarHBondContact O-OG 2.92Å; I221-S224 PolarHBondContact O-N 3.44Å; L222-S224 VanDerWaalsContact C-N 3.3Å; L222-S224 PolarHBondContact O-N 3.48Å; S224-V226 VanDerWaalsContact C-N 3.35Å; S224-V226 PolarHBondContact O-N 3.47Å; S224-G227 PolarHBondContact O-N 2.89Å; S224-G228 PolarHBondContact O-N 2.91Å
225C96.9Very high94.6Very high49 Ų4955.5 Ų55.533%0.33131%0.312SS..Hα-helixtrans-63.8-39.6178.4-72.30000111.9I221 L222 A229I221-C225 WeakPolarHBondContact O-CB 2.95Å; I221-C225 PolarHBondContact O-N 3.36Å; I221-C225 PolarHBondContact O-SG 3.47Å; I221-C225 VanDerWaalsContact O-SG 3.37Å; L222-C225 PolarHBondContact O-N 3.04Å; C225-A229 VanDerWaalsContact O-CB 3.26Å; C225-A229 WeakPolarHBondContact O-CB 3.26Å; C225-A229 PolarHBondContact O-N 2.97Å
226V96.9Very high95Very high71 Ų7157.5 Ų57.543%0.4332%0.32SS..Hα-helixtrans-65.7-46175.91700000110.7L222 A223 S224 G228 A229 I230L222-V226 HydrophobicContact CD1-CG2 4.16Å; L222-V226 HydrophobicContact CG-CG2 4.38Å; L222-V226 WeakPolarHBondContact O-CB 3.33Å; L222-V226 WeakPolarHBondContact O-CG2 3.41Å; L222-V226 PolarHBondContact O-N 3.3Å; A223-V226 PolarHBondContact O-N 2.68Å; S224-V226 VanDerWaalsContact C-N 3.35Å; S224-V226 PolarHBondContact O-N 3.47Å; V226-G228 VanDerWaalsContact C-N 3.34Å; V226-G228 PolarHBondContact O-N 2.89Å; V226-A229 PolarHBondContact O-N 3.43Å; V226-I230 HydrophobicContact CG1-CD1 3.72Å; V226-I230 HydrophobicContact CG1-CG1 4.34Å; V226-I230 WeakPolarHBondContact O-CB 3.47Å; V226-I230 VanDerWaalsContact O-CG1 3.27Å; V226-I230 WeakPolarHBondContact O-CG1 3.39Å; V226-I230 PolarHBondContact O-N 3.39Å
227G96.6Very high95.3Very high18 Ų1859.2 Ų59.219%0.18633%0.326CS..Hα-helixtrans-60.9-42176.200000112.7A223 S224 T231A223-G227 PolarHBondContact O-N 3.42Å; S224-G227 PolarHBondContact O-N 2.89Å; G227-T231 WeakPolarHBondContact O-CB 3.49Å; G227-T231 PolarHBondContact O-N 3.27Å; G227-T231 PolarHBondContact O-OG1 2.95Å
228G97.4Very high95.6Very high0 Ų059.3 Ų59.30%033%0.326CS..Hα-helixtrans-60.8-46.4171.600000112.5S224 V226 T231 A232S224-G228 PolarHBondContact O-N 2.91Å; V226-G228 VanDerWaalsContact C-N 3.34Å; V226-G228 PolarHBondContact O-N 2.89Å; G228-T231 PolarHBondContact O-N 3.45Å; G228-A232 WeakPolarHBondContact O-CB 3.25Å; G228-A232 PolarHBondContact O-N 3.33Å
229A97.6Very high95.6Very high48 Ų4854.5 Ų54.540%0.39731%0.313SS..Hα-helixtrans-65.2-42.2-179.300000112.3F192 C225 V226 T231 A232 L233F192-A229 HydrophobicContact CD2-CB 4.39Å; F192-A229 HydrophobicContact CE2-CB 4.17Å; C225-A229 VanDerWaalsContact O-CB 3.26Å; C225-A229 WeakPolarHBondContact O-CB 3.26Å; C225-A229 PolarHBondContact O-N 2.97Å; V226-A229 PolarHBondContact O-N 3.43Å; A229-T231 VanDerWaalsContact C-N 3.34Å; A229-A232 PolarHBondContact O-N 2.82Å; A229-L233 WeakPolarHBondContact O-CB 3.38Å; A229-L233 PolarHBondContact O-N 3.43Å
230I97.3Very high95.7Very high91 Ų9154.3 Ų54.347%0.46731%0.308SS..Hα-helixtrans-60.1-46.7173.7-69.1167.6000109.7V226 A232 L233 L234V226-I230 HydrophobicContact CG1-CD1 3.72Å; V226-I230 HydrophobicContact CG1-CG1 4.34Å; V226-I230 WeakPolarHBondContact O-CB 3.47Å; V226-I230 VanDerWaalsContact O-CG1 3.27Å; V226-I230 WeakPolarHBondContact O-CG1 3.39Å; V226-I230 PolarHBondContact O-N 3.39Å; I230-A232 PolarHBondContact O-N 2.89Å; I230-L233 WeakPolarHBondContact O-CB 3.14Å; I230-L233 PolarHBondContact O-N 2.9Å; I230-L234 HydrophobicContact CG2-CD1 4.06Å; I230-L234 HydrophobicContact CG2-CG 4.4Å; I230-L234 WeakPolarHBondContact O-CG 3.14Å; I230-L234 PolarHBondContact O-N 3.5Å
231T96.9Very high95.7Very high38 Ų3856.5 Ų56.523%0.23332%0.322CS..Hα-helixtrans-61.8-45.3178.6-55.20000111.3Y191 V195 G227 G228 A229 L233 L234 V235Y191-T231 HydrophobicContact CD1-CG2 4.36Å; V195-T231 HydrophobicContact CG2-CG2 3.93Å; G227-T231 WeakPolarHBondContact O-CB 3.49Å; G227-T231 PolarHBondContact O-N 3.27Å; G227-T231 PolarHBondContact O-OG1 2.95Å; G228-T231 PolarHBondContact O-N 3.45Å; A229-T231 VanDerWaalsContact C-N 3.34Å; T231-L233 VanDerWaalsContact C-N 3.3Å; T231-L233 PolarHBondContact O-N 3.36Å; T231-L234 PolarHBondContact O-N 3.47Å; T231-V235 HydrophobicContact CG2-CG2 4.39Å; T231-V235 WeakPolarHBondContact O-CG2 3.12Å; T231-V235 PolarHBondContact O-N 3Å
232A97.3Very high95.6Very high14 Ų1460.5 Ų60.512%0.11634%0.337CS..Hα-helixtrans-59.4-42.117700000112P188 F192 G228 A229 I230 V235 H236P188-A232 HydrophobicContact CB-CB 4.05Å; P188-A232 VanDerWaalsContact O-CB 3.29Å; P188-A232 WeakPolarHBondContact O-CB 3.28Å; F192-A232 HydrophobicContact CB-CB 3.96Å; G228-A232 WeakPolarHBondContact O-CB 3.25Å; G228-A232 PolarHBondContact O-N 3.33Å; A229-A232 PolarHBondContact O-N 2.82Å; I230-A232 PolarHBondContact O-N 2.89Å; A232-V235 PolarHBondContact O-N 3.08Å; A232-H236 WeakPolarHBondContact O-CB 3.36Å; A232-H236 PolarHBondContact O-N 3.41Å
233L97.2Very high95.4Very high100 Ų10059 Ų5952%0.52433%0.327SS..Hα-helixtrans-63.6-45.9175.6-177.164000111.4A229 I230 T231 V235 H236 L237A229-L233 WeakPolarHBondContact O-CB 3.38Å; A229-L233 PolarHBondContact O-N 3.43Å; I230-L233 WeakPolarHBondContact O-CB 3.14Å; I230-L233 PolarHBondContact O-N 2.9Å; T231-L233 VanDerWaalsContact C-N 3.3Å; T231-L233 PolarHBondContact O-N 3.36Å; L233-V235 PolarHBondContact O-N 3.32Å; L233-H236 PolarHBondContact O-N 2.88Å; L233-L237 HydrophobicContact CD1-CD1 3.74Å; L233-L237 HydrophobicContact CD1-CG 3.98Å; L233-L237 HydrophobicContact CD2-CD1 4.49Å; L233-L237 HydrophobicContact CG-CD1 3.82Å; L233-L237 HydrophobicContact CG-CG 4.33Å; L233-L237 WeakPolarHBondContact O-CB 3.45Å; L233-L237 VanDerWaalsContact O-CG 3.3Å; L233-L237 WeakPolarHBondContact O-CG 3.33Å; L233-L237 PolarHBondContact O-N 3.09Å
234L96.6Very high95.1Very high88 Ų8862.6 Ų62.646%0.46134%0.336SS..Hα-helixtrans-62.4-42.3177-69.9175.4000112I230 T231 H236 L237 L238I230-L234 HydrophobicContact CG2-CD1 4.06Å; I230-L234 HydrophobicContact CG2-CG 4.4Å; I230-L234 WeakPolarHBondContact O-CG 3.14Å; I230-L234 PolarHBondContact O-N 3.5Å; T231-L234 PolarHBondContact O-N 3.47Å; L234-H236 VanDerWaalsContact C-N 3.32Å; L234-H236 PolarHBondContact O-N 3.4Å; L234-L237 PolarHBondContact O-N 2.97Å; L234-L238 HydrophobicContact CD2-CD1 4.05Å; L234-L238 VanDerWaalsContact O-CB 3.27Å; L234-L238 WeakPolarHBondContact O-CB 3.26Å; L234-L238 PolarHBondContact O-N 3.34Å
235V95.7Very high94.8Very high9 Ų971.8 Ų71.86%0.05537%0.37CS..Iπ-helixtrans-61.1-44.4174170.10000110.4L187 P188 Y191 T231 A232 L233 I239 I240L187-V235 HydrophobicContact CB-CG1 3.96Å; P188-V235 HydrophobicContact CG-CG1 4.37Å; Y191-V235 HydrophobicContact CD1-CG2 4.16Å; Y191-V235 HydrophobicContact CD2-CG1 4.25Å; Y191-V235 HydrophobicContact CD2-CG2 4.06Å; Y191-V235 HydrophobicContact CG-CG2 3.84Å; T231-V235 HydrophobicContact CG2-CG2 4.39Å; T231-V235 WeakPolarHBondContact O-CG2 3.12Å; T231-V235 PolarHBondContact O-N 3Å; A232-V235 PolarHBondContact O-N 3.08Å; L233-V235 PolarHBondContact O-N 3.32Å; V235-I239 HydrophobicContact CG1-CB 4.3Å; V235-I239 HydrophobicContact CG2-CG1 4.44Å; V235-I239 WeakPolarHBondContact O-CB 3.29Å; V235-I239 PolarHBondContact O-N 3.46Å; V235-I239 VanDerWaalsContact O-N 3.11Å; V235-I240 PolarHBondContact O-N 3Å
236H94.7Very high94.1Very high103 Ų10372.2 Ų72.248%0.47737%0.374SS..Iπ-helixtrans-63.9-43.3179.6-172.677000112.9P188 A232 L233 L234 P241P188-H236 HydrophobicContact CG-CB 3.99Å; A232-H236 WeakPolarHBondContact O-CB 3.36Å; A232-H236 PolarHBondContact O-N 3.41Å; L233-H236 PolarHBondContact O-N 2.88Å; L234-H236 VanDerWaalsContact C-N 3.32Å; L234-H236 PolarHBondContact O-N 3.4Å; H236-P241 WeakPolarHBondContact O-CD 3.34Å
237L95.9Very high93.3Very high100 Ų10072.2 Ų72.252%0.52437%0.368SS..Iπ-helixtrans-84.1-34.8-174.6-65.4179.7000113.6L233 L234 P241L233-L237 HydrophobicContact CD1-CD1 3.74Å; L233-L237 HydrophobicContact CD1-CG 3.98Å; L233-L237 HydrophobicContact CD2-CD1 4.49Å; L233-L237 HydrophobicContact CG-CD1 3.82Å; L233-L237 HydrophobicContact CG-CG 4.33Å; L233-L237 WeakPolarHBondContact O-CB 3.45Å; L233-L237 VanDerWaalsContact O-CG 3.3Å; L233-L237 WeakPolarHBondContact O-CG 3.33Å; L233-L237 PolarHBondContact O-N 3.09Å; L234-L237 PolarHBondContact O-N 2.97Å; L237-P241 WeakPolarHBondContact O-CG 3.43Å
238L95.3Very high92.5Very high110 Ų11075.2 Ų75.258%0.57639%0.387SS*.Iπ-helixtrans-106.4-48.8-172.2-55.7179.4000112.3L234 K242L234-L238 HydrophobicContact CD2-CD1 4.05Å; L234-L238 VanDerWaalsContact O-CB 3.27Å; L234-L238 WeakPolarHBondContact O-CB 3.26Å; L234-L238 PolarHBondContact O-N 3.34Å; L238-K242 VanDerWaalsContact O-CB 3.31Å; L238-K242 WeakPolarHBondContact O-CB 3.48Å; L238-K242 PolarHBondContact O-N 3.47Å
239I93.3Very high91.2Very high78 Ų7878.5 Ų78.540%0.441%0.409SS..Iπ-helixtrans-79.2-49.9-170.3-56.4-59.4000111.2V235 K242 M243V235-I239 HydrophobicContact CG1-CB 4.3Å; V235-I239 HydrophobicContact CG2-CG1 4.44Å; V235-I239 WeakPolarHBondContact O-CB 3.29Å; V235-I239 PolarHBondContact O-N 3.46Å; V235-I239 VanDerWaalsContact O-N 3.11Å; I239-K242 PolarHBondContact O-N 3.24Å; I239-M243 HydrophobicContact CG2-CG 4.16Å; I239-M243 HydrophobicContact CG2-SD 3.74Å; I239-M243 WeakPolarHBondContact O-CG 3.39Å; I239-M243 PolarHBondContact O-N 2.85Å
240I93.1Very high90Very high9 Ų978.9 Ų78.95%0.04640%0.404CS..Hα-helixtrans-58.5-48.4-178.5-64.7176.9000111.9L184 L187 P188 V235 K242 M243 K244L184-I240 WeakPolarHBondContact O-CD1 2.99Å; L187-I240 HydrophobicContact CD1-CG1 4.44Å; P188-I240 HydrophobicContact CG-CD1 3.75Å; V235-I240 PolarHBondContact O-N 3Å; I240-K242 VanDerWaalsContact C-N 3.32Å; I240-K242 PolarHBondContact O-N 3.21Å; I240-M243 PolarHBondContact O-N 2.97Å; I240-K244 HydrophobicContact CG2-CD 4.05Å; I240-K244 HydrophobicContact CG2-CG 4.34Å; I240-K244 WeakPolarHBondContact O-CG 3.42Å; I240-K244 PolarHBondContact O-N 3.47Å
241P92.2Very high88.8Confident49 Ų4975.9 Ų75.932%0.31839%0.393SS..Hα-helixtrans-64.3-37.4179.4-25.438.9000112.4H236 L237 K244 R245H236-P241 WeakPolarHBondContact O-CD 3.34Å; L237-P241 WeakPolarHBondContact O-CG 3.43Å; P241-K244 PolarHBondContact O-N 3.43Å; P241-R245 VanDerWaalsContact O-CG 3.3Å; P241-R245 WeakPolarHBondContact O-CG 3.34Å; P241-R245 PolarHBondContact O-N 2.85Å
242K92.1Very high87.3Confident157 Ų15776.8 Ų76.868%0.68340%0.401SS*.Hα-helixtrans-63.8-45.1175.9-174.6175.5178.1174.50111.6L238 I239 I240 R245 S246L238-K242 VanDerWaalsContact O-CB 3.31Å; L238-K242 WeakPolarHBondContact O-CB 3.48Å; L238-K242 PolarHBondContact O-N 3.47Å; I239-K242 PolarHBondContact O-N 3.24Å; I240-K242 VanDerWaalsContact C-N 3.32Å; I240-K242 PolarHBondContact O-N 3.21Å; K242-R245 PolarHBondContact O-N 2.61Å; K242-S246 PolarHBondContact O-N 3.39Å
243M90.5Very high85.8Confident66 Ų6679.8 Ų79.833%0.32542%0.418SS..Hα-helixtrans-62.3-47.1176-70.6179.378.800111.3L184 L187 I239 I240 R245 S246 F247L184-M243 HydrophobicContact CD2-CB 4Å; L184-M243 HydrophobicContact CD2-CE 3.77Å; L184-M243 HydrophobicContact CD2-SD 3.83Å; L187-M243 HydrophobicContact CD1-CE 4.41Å; L187-M243 HydrophobicContact CD1-SD 3.85Å; I239-M243 HydrophobicContact CG2-CG 4.16Å; I239-M243 HydrophobicContact CG2-SD 3.74Å; I239-M243 WeakPolarHBondContact O-CG 3.39Å; I239-M243 PolarHBondContact O-N 2.85Å; I240-M243 PolarHBondContact O-N 2.97Å; M243-R245 VanDerWaalsContact C-N 3.34Å; M243-R245 PolarHBondContact O-N 2.75Å; M243-S246 WeakPolarHBondContact O-CB 3.47Å; M243-S246 PolarHBondContact O-N 3.49Å; M243-S246 VanDerWaalsContact O-N 3.15Å; M243-F247 HydrophobicContact CB-CD2 4.44Å; M243-F247 HydrophobicContact CB-CE2 4.04Å; M243-F247 HydrophobicContact CE-CE2 4.2Å; M243-F247 HydrophobicContact CE-CZ 4.41Å; M243-F247 WeakPolarHBondContact O-CD2 3.26Å; M243-F247 PolarHBondContact O-N 2.94Å
244K89Confident84.3Confident116 Ų11680 Ų8050%0.50442%0.417SS..Hα-helixtrans-56.7-45.7176.6-74.4-179.2177.9179.40112.1L184 I240 P241 S246 F247 S248L184-K244 HydrophobicContact CD1-CG 3.76Å; I240-K244 HydrophobicContact CG2-CD 4.05Å; I240-K244 HydrophobicContact CG2-CG 4.34Å; I240-K244 WeakPolarHBondContact O-CG 3.42Å; I240-K244 PolarHBondContact O-N 3.47Å; P241-K244 PolarHBondContact O-N 3.43Å; K244-S246 VanDerWaalsContact C-N 3.35Å; K244-S246 PolarHBondContact O-N 3.11Å; K244-F247 PolarHBondContact O-N 3.44Å; K244-S248 PolarHBondContact O-N 3.14Å; K244-S248 PolarHBondContact O-OG 2.88Å
245R87.4Confident82.7Confident193 Ų19384.8 Ų84.873%0.72843%0.428SS*.Hα-helixtrans-60.6-42.4176.6-73.2174.7-175179.22.5112.1P241 K242 M243 S248 C249P241-R245 VanDerWaalsContact O-CG 3.3Å; P241-R245 WeakPolarHBondContact O-CG 3.34Å; P241-R245 PolarHBondContact O-N 2.85Å; K242-R245 PolarHBondContact O-N 2.61Å; M243-R245 VanDerWaalsContact C-N 3.34Å; M243-R245 PolarHBondContact O-N 2.75Å; R245-S248 PolarHBondContact O-N 3.32Å; R245-C249 WeakPolarHBondContact O-CB 3.35Å; R245-C249 PolarHBondContact O-N 2.69Å
246S83.5Confident81Confident59 Ų5988.2 Ų88.241%0.41345%0.449SS..Hα-helixtrans-62.5-42.8177.6-167.10000112.1K242 M243 K244 C249 N250K242-S246 PolarHBondContact O-N 3.39Å; M243-S246 WeakPolarHBondContact O-CB 3.47Å; M243-S246 PolarHBondContact O-N 3.49Å; M243-S246 VanDerWaalsContact O-N 3.15Å; K244-S246 VanDerWaalsContact C-N 3.35Å; K244-S246 PolarHBondContact O-N 3.11Å; S246-C249 PolarHBondContact O-N 3.2Å; S246-N250 PolarHBondContact O-N 3.27Å; S246-N250 VanDerWaalsContact O-N 3.11Å; S246-N250 PolarHBondContact O-OD1 2.71Å
247F80Confident79.4Confident70 Ų7086.6 Ų86.631%0.30745%0.447SS..Hα-helixtrans-68.6-38.4178.1-66.3-56000112.5L180 M243 K244 A251L180-F247 HydrophobicContact CD1-CD2 4.13Å; L180-F247 HydrophobicContact CD1-CE2 3.85Å; L180-F247 HydrophobicContact CD1-CZ 4.24Å; L180-F247 HydrophobicContact CD2-CD2 4.41Å; M243-F247 HydrophobicContact CB-CD2 4.44Å; M243-F247 HydrophobicContact CB-CE2 4.04Å; M243-F247 HydrophobicContact CE-CE2 4.2Å; M243-F247 HydrophobicContact CE-CZ 4.41Å; M243-F247 WeakPolarHBondContact O-CD2 3.26Å; M243-F247 PolarHBondContact O-N 2.94Å; K244-F247 PolarHBondContact O-N 3.44Å; F247-A251 WeakPolarHBondContact O-CB 3.47Å; F247-A251 PolarHBondContact O-N 3.44Å; F247-A251 VanDerWaalsContact O-N 3.13Å
248S78.7Confident77.2Confident81 Ų8183.9 Ų83.957%0.56644%0.443SS*.Hα-helixtrans-65.4-41.5175.1-62.10000112.4K244 R245 A251 S252K244-S248 PolarHBondContact O-N 3.14Å; K244-S248 PolarHBondContact O-OG 2.88Å; R245-S248 PolarHBondContact O-N 3.32Å; S248-A251 PolarHBondContact O-N 2.84Å; S248-S252 PolarHBondContact O-N 3.35Å; S248-S252 PolarHBondContact O-OG 3.45Å
249C70.6Confident75Confident70 Ų7086.1 Ų86.147%0.47345%0.448SS..Hα-helixtrans-63.9-45.8178.7-173.30000111.8R245 S246 A251 S252 T253R245-C249 WeakPolarHBondContact O-CB 3.35Å; R245-C249 PolarHBondContact O-N 2.69Å; S246-C249 PolarHBondContact O-N 3.2Å; C249-A251 VanDerWaalsContact C-N 3.31Å; C249-A251 PolarHBondContact O-N 3Å; C249-S252 WeakPolarHBondContact CA-OG 3.44Å; C249-S252 PolarHBondContact O-N 2.87Å; C249-S252 VanDerWaalsContact O-N 3.15Å; C249-S252 PolarHBondContact O-OG 3.44Å; C249-T253 PolarHBondContact O-N 3.12Å; C249-T253 PolarHBondContact O-OG1 2.94Å; C249-T253 VanDerWaalsContact O-OG1 3.13Å
250N71.9Confident72.9Confident56 Ų5687.1 Ų87.130%0.29945%0.454SS..Hα-helixtrans-62.5-40.1177-68.11.6000111.7S246 S252 T253 E254S246-N250 PolarHBondContact O-N 3.27Å; S246-N250 VanDerWaalsContact O-N 3.11Å; S246-N250 PolarHBondContact O-OD1 2.71Å; N250-S252 VanDerWaalsContact C-N 3.3Å; N250-S252 PolarHBondContact O-N 3.46Å; N250-T253 PolarHBondContact O-N 2.92Å; N250-E254 WeakPolarHBondContact O-CG 3.28Å; N250-E254 PolarHBondContact O-N 2.88Å
251A73Confident70.7Confident28 Ų2891.8 Ų91.823%0.23148%0.479CS..Hα-helixtrans-69.5-22.3177.400000114.2F247 S248 C249 R255F247-A251 WeakPolarHBondContact O-CB 3.47Å; F247-A251 PolarHBondContact O-N 3.44Å; F247-A251 VanDerWaalsContact O-N 3.13Å; S248-A251 PolarHBondContact O-N 2.84Å; C249-A251 VanDerWaalsContact C-N 3.31Å; C249-A251 PolarHBondContact O-N 3Å; A251-R255 PolarHBondContact O-NE 3.48Å
252S65.8Low68.4Low57 Ų5793.5 Ų93.540%0.39950%0.498SS..Hα-helixtrans-78.9-43169.843.50000111.8S248 C249 N250 E254 R255 T256S248-S252 PolarHBondContact O-N 3.35Å; S248-S252 PolarHBondContact O-OG 3.45Å; C249-S252 WeakPolarHBondContact CA-OG 3.44Å; C249-S252 PolarHBondContact O-N 2.87Å; C249-S252 VanDerWaalsContact O-N 3.15Å; C249-S252 PolarHBondContact O-OG 3.44Å; N250-S252 VanDerWaalsContact C-N 3.3Å; N250-S252 PolarHBondContact O-N 3.46Å; S252-E254 PolarHBondContact O-N 3.05Å; S252-R255 PolarHBondContact O-N 2.78Å; S252-R255 VanDerWaalsContact O-N 3.12Å; S252-T256 PolarHBondContact O-N 3.22Å; S252-T256 PolarHBondContact O-OG1 2.81Å; S252-T256 VanDerWaalsContact O-OG1 3.1Å
253T65.5Low65.9Low77 Ų7791.7 Ų91.747%0.47250%0.5SS..Hα-helixtrans-61.7-45.9178.9-54.30000111.5C249 N250 R255 T256 T257C249-T253 PolarHBondContact O-N 3.12Å; C249-T253 PolarHBondContact O-OG1 2.94Å; C249-T253 VanDerWaalsContact O-OG1 3.13Å; N250-T253 PolarHBondContact O-N 2.92Å; T253-R255 PolarHBondContact O-N 3.5Å; T253-T256 PolarHBondContact O-N 3.25Å; T253-T256 VanDerWaalsContact O-N 3.15Å; T253-T257 HydrophobicContact CG2-CG2 4.37Å; T253-T257 PolarHBondContact O-N 2.86Å; T253-T257 PolarHBondContact O-OG1 3.14Å; T253-T257 VanDerWaalsContact O-OG1 3.12Å
254E65.6Low63.4Low105 Ų10594.4 Ų94.449%0.49152%0.52SS..Hα-helixtrans-58.2-33.4175.2-74.3173.9-177.200112.7N250 S252 T257 G258 K285N250-E254 WeakPolarHBondContact O-CG 3.28Å; N250-E254 PolarHBondContact O-N 2.88Å; S252-E254 PolarHBondContact O-N 3.05Å; E254-T257 PolarHBondContact O-OG1 3.29Å; E254-G258 PolarHBondContact O-N 3.06Å; E254-K285 IonicContact OE2-NZ 2.84Å
255R62Low60.8Low188 Ų18894.4 Ų94.471%0.70953%0.529SS*.Hα-helixtrans-76.3-33178.3-92.6-171.7-89.9-169.3-9.1113.2A251 S252 T253 K259A251-R255 PolarHBondContact O-NE 3.48Å; S252-R255 PolarHBondContact O-N 2.78Å; S252-R255 VanDerWaalsContact O-N 3.12Å; T253-R255 PolarHBondContact O-N 3.5Å; R255-K259 PolarHBondContact O-N 2.88Å
256T61.2Low58.1Low81 Ų8192.8 Ų92.850%0.49754%0.535SS..Hα-helixtrans-74.3-49.6176.6-48.50000110.2S252 T253 G258 K259 D260S252-T256 PolarHBondContact O-N 3.22Å; S252-T256 PolarHBondContact O-OG1 2.81Å; S252-T256 VanDerWaalsContact O-OG1 3.1Å; T253-T256 PolarHBondContact O-N 3.25Å; T253-T256 VanDerWaalsContact O-N 3.15Å; T256-G258 PolarHBondContact O-N 3.02Å; T256-K259 PolarHBondContact O-N 2.85Å; T256-K259 VanDerWaalsContact O-N 3.09Å; T256-D260 PolarHBondContact O-N 2.83Å
257T60.7Low55.5Low68 Ų6898.3 Ų98.342%0.41756%0.556SS.*Hα-helixtrans-63.6-40.4178.5580000111.9T253 E254 K259 D260 D261T253-T257 HydrophobicContact CG2-CG2 4.37Å; T253-T257 PolarHBondContact O-N 2.86Å; T253-T257 PolarHBondContact O-OG1 3.14Å; T253-T257 VanDerWaalsContact O-OG1 3.12Å; E254-T257 PolarHBondContact O-OG1 3.29Å; T257-K259 PolarHBondContact O-N 3.45Å; T257-D260 PolarHBondContact O-N 3.1Å; T257-D261 WeakPolarHBondContact O-CB 3.26Å; T257-D261 VanDerWaalsContact O-CG 3.27Å; T257-D261 PolarHBondContact O-N 3.2Å
258G51Low53.1Low43 Ų43100.9 Ų100.944%0.44358%0.578SS.*Hα-helixtrans-66.3-19.8176.100000114.6E254 T256 A262E254-G258 PolarHBondContact O-N 3.06Å; T256-G258 PolarHBondContact O-N 3.02Å; G258-A262 WeakPolarHBondContact O-CB 3.01Å; G258-A262 PolarHBondContact O-N 3.16Å
259K48.5Very low50.7Low157 Ų157102 Ų10268%0.68359%0.586SS**Hα-helixtrans-85.6-37.4172-97.1-176.3172.1-177.20112.2R255 T256 T257 T263R255-K259 PolarHBondContact O-N 2.88Å; T256-K259 PolarHBondContact O-N 2.85Å; T256-K259 VanDerWaalsContact O-N 3.09Å; T257-K259 PolarHBondContact O-N 3.45Å; K259-T263 PolarHBondContact O-N 3.45Å; K259-T263 PolarHBondContact O-OG1 3.47Å
260D48.1Very low48.8Very low100 Ų100107.3 Ų107.354%0.53560%0.601SS.*Hα-helixtrans-74.1-37.9-179.5-62.4-20.7000110.9T256 T257 T263T256-D260 PolarHBondContact O-N 2.83Å; T257-D260 PolarHBondContact O-N 3.1Å; D260-T263 PolarHBondContact O-N 3.47Å
261D48.1Very low46.7Very low107 Ų107110 Ų11057%0.57262%0.619SS**Hα-helixtrans-72.3-31.6174.5-65.9-26.6000112.2T257 T263 V264 V265T257-D261 WeakPolarHBondContact O-CB 3.26Å; T257-D261 VanDerWaalsContact O-CG 3.27Å; T257-D261 PolarHBondContact O-N 3.2Å; D261-T263 PolarHBondContact O-N 3.47Å; D261-V264 PolarHBondContact O-N 3.49Å; D261-V265 WeakPolarHBondContact O-CG2 3.45Å
262A42.9Very low44.7Very low85 Ų85114.2 Ų114.270%0.70264%0.643SS**THydrogen-bonded Turntrans-69.4-13.317500000113.5G258G258-A262 WeakPolarHBondContact O-CB 3.01Å; G258-A262 PolarHBondContact O-N 3.16Å
263T40.2Very low43Very low119 Ų119117.6 Ų117.673%0.7366%0.661SS**THydrogen-bonded Turntrans-101.5-7.3-179.9-36.70000112.5K259 D260 D261K259-T263 PolarHBondContact O-N 3.45Å; K259-T263 PolarHBondContact O-OG1 3.47Å; D260-T263 PolarHBondContact O-N 3.47Å; D261-T263 PolarHBondContact O-N 3.47Å
264V38.4Very low41.2Very low122 Ų122120.2 Ų120.274%0.73968%0.681SS**SBendtrans-136.658.6-179.9-163.90000111D261D261-V264 PolarHBondContact O-N 3.49Å
265V34.1Very low39.7Very low117 Ų117120.5 Ų120.571%0.70969%0.692SS**  trans-126.372.3157.1-174.20000108D261 M267D261-V265 WeakPolarHBondContact O-CG2 3.45Å; V265-M267 PolarHBondContact O-N 2.91Å
266N29.5Very low38.2Very low159 Ų159119.4 Ų119.485%0.8570%0.7SS**  trans-72.5111.6153-105.4-11.9000106.6T268N266-T268 PolarHBondContact O-N 3.42Å
267M29Very low37.2Very low174 Ų174122.9 Ų122.986%0.85771%0.714SS**  trans-50.7108167.8-83.7178.3177.700109V265V265-M267 PolarHBondContact O-N 2.91Å
268T29.9Very low35.9Very low125 Ų125126.2 Ų126.277%0.76773%0.729SS**  trans177.3127144.725.10000108.8N266N266-T268 PolarHBondContact O-N 3.42Å
269S28.8Very low35.1Very low103 Ų103136.4 Ų136.472%0.7276%0.755SS**  trans82.9145.116176.70000119.7
270F30.8Very low34.6Very low183 Ų183135.2 Ų135.280%0.80375%0.752SS**  trans80.992.1168.5-70-87.6000116.9
271T28.2Very low34.3Very low111 Ų111138.7 Ų138.768%0.68176%0.758SS**  30.3119.372.862.40000114.9
272T31.1Very low33.6Very low117 Ų117138.5 Ų138.572%0.71876%0.764SS**  trans94.8113.6148.3-33.60000117.1
273T29Very low33.7Very low129 Ų129137.3 Ų137.379%0.79175%0.748SS**  trans64.3108.3153.253.40000118.9
274C28.5Very low33.5Very low132 Ų132133.9 Ų133.989%0.89274%0.737SS**PPolyproline II helixtrans-100.1118.8160.9-143.60000108.9
275P33.2Very low33.4Very low111 Ų111135.1 Ų135.172%0.72173%0.732SS**PPolyproline II helixtrans-80.5153.2-177.727.1-23.2000112.7I277P275-I277 PolarHBondContact O-N 2.79Å
276D30.3Very low33.7Very low164 Ų164134 Ų13488%0.87772%0.722SS**PPolyproline II helixtrans-48.7120.9177.8-70.7-61000114.1
277I40.1Very low34.4Very low154 Ų154130.3 Ų130.379%0.7970%0.702SS**  trans-154.9113.8150.7-89.5134.2000108.8P275P275-I277 PolarHBondContact O-N 2.79Å
278N33.7Very low35.1Very low138 Ų138125.9 Ų125.974%0.73868%0.684SS**  trans52.775.2156.8-67.1-31000119.7Q280N278-Q280 VanDerWaalsContact C-N 3.26Å; N278-Q280 PolarHBondContact O-N 3.3Å; N278-Q280 VanDerWaalsContact O-N 3.09Å
279R33.9Very low35.3Very low258 Ų258128.5 Ų128.597%0.97468%0.68SS**  trans-79.731.7175.7-141.9-179.7-155.9-150.43.8115.9
280Q39.6Very low36Very low132 Ų132125.6 Ų125.662%0.61766%0.662SS**  trans-103.40.6-166.2-149.4149.81.100116.3N278N278-Q280 VanDerWaalsContact C-N 3.26Å; N278-Q280 PolarHBondContact O-N 3.3Å; N278-Q280 VanDerWaalsContact O-N 3.09Å
281Y40.5Very low36.4Very low173 Ų173120 Ų12068%0.67865%0.649SS**SBendtrans-127.4-1.3-166.4-70.4-80.1000118.3V283Y281-V283 VanDerWaalsContact C-N 3.31Å; Y281-V283 PolarHBondContact O-N 3.4Å
282C34Very low37Very low102 Ų102118.4 Ų118.469%0.68964%0.64SS**THydrogen-bonded Turntrans-81.50.4179.2-69.50000115.2G284C282-G284 PolarHBondContact O-N 2.88Å
283V44.4Very low37.3Very low60 Ų60120.4 Ų120.436%0.36464%0.635SS.*Hα-helixtrans-83.4-16.7-160.7-155.20000112.5Y281 K285 I287Y281-V283 VanDerWaalsContact C-N 3.31Å; Y281-V283 PolarHBondContact O-N 3.4Å; V283-K285 PolarHBondContact O-N 3.32Å; V283-I287 HydrophobicContact CB-CD1 3.99Å; V283-I287 HydrophobicContact CB-CG1 4.27Å; V283-I287 HydrophobicContact CG1-CD1 3.42Å; V283-I287 VanDerWaalsContact CG1-CD1 3.42Å; V283-I287 HydrophobicContact CG1-CG1 3.34Å; V283-I287 WeakPolarHBondContact O-CB 3.31Å; V283-I287 WeakPolarHBondContact O-CD1 3.47Å; V283-I287 WeakPolarHBondContact O-CG1 3.5Å; V283-I287 PolarHBondContact O-N 3.04Å
284G37.7Very low37.9Very low48 Ų48119 Ų11950%0.49562%0.623SS.*Hα-helixtrans-70.6-25.5-169.300000117.9C282C282-G284 PolarHBondContact O-N 2.88Å
285K35Very low38.5Very low147 Ų147116.3 Ų116.364%0.63961%0.605SS**Hα-helixtrans-101.6-28.9173.9-95.3177.8179.3168.50112.3E254 V283E254-K285 IonicContact OE2-NZ 2.84Å; V283-K285 PolarHBondContact O-N 3.32Å
286D40.5Very low38.8Very low94 Ų94119 Ų11950%0.50360%0.602SS.*Hα-helixtrans-79.2-23178.4-66.6-28.8000112.4V288 R289 A290D286-V288 PolarHBondContact O-N 3.19Å; D286-R289 PolarHBondContact O-N 2.81Å; D286-A290 WeakPolarHBondContact O-CA 3.5Å; D286-A290 WeakPolarHBondContact O-CB 3.44Å; D286-A290 PolarHBondContact O-N 3.25Å
287I44.8Very low39.5Very low82 Ų82117.2 Ų117.242%0.42159%0.588SS.*Hα-helixtrans-61.7-42.5175.2-75158.5000111.8V283 A291V283-I287 HydrophobicContact CB-CD1 3.99Å; V283-I287 HydrophobicContact CB-CG1 4.27Å; V283-I287 HydrophobicContact CG1-CD1 3.42Å; V283-I287 VanDerWaalsContact CG1-CD1 3.42Å; V283-I287 HydrophobicContact CG1-CG1 3.34Å; V283-I287 WeakPolarHBondContact O-CB 3.31Å; V283-I287 WeakPolarHBondContact O-CD1 3.47Å; V283-I287 WeakPolarHBondContact O-CG1 3.5Å; V283-I287 PolarHBondContact O-N 3.04Å; I287-A291 WeakPolarHBondContact O-CB 3.48Å; I287-A291 PolarHBondContact O-N 3.19Å
288V42.7Very low39.7Very low80 Ų80115.1 Ų115.149%0.48558%0.575SS.*Hα-helixtrans-72.8-36.7-177.8-176.80000110.4D286 T292D286-V288 PolarHBondContact O-N 3.19Å; V288-T292 PolarHBondContact O-N 3.05Å; V288-T292 PolarHBondContact O-OG1 3.31Å
289R35.7Very low40.3Very low180 Ų180117.6 Ų117.668%0.67957%0.574SS**Hα-helixtrans-74.3-46174.2-97.5-178.7176.5173.5-2.8113D286 T292 Y293D286-R289 PolarHBondContact O-N 2.81Å; R289-T292 CarbonylContact O-C 3.6Å; R289-T292 PolarHBondContact O-N 3.24Å; R289-T292 VanDerWaalsContact O-N 3.11Å; R289-Y293 WeakPolarHBondContact O-CB 3.49Å; R289-Y293 WeakPolarHBondContact O-CD2 3.42Å; R289-Y293 PolarHBondContact O-N 3.35Å
290A42.1Very low40.9Very low42 Ų42111.3 Ų111.335%0.34756%0.556SS.*Hα-helixtrans-67.6-34.3179.400000112.5D286 T292 N294D286-A290 WeakPolarHBondContact O-CA 3.5Å; D286-A290 WeakPolarHBondContact O-CB 3.44Å; D286-A290 PolarHBondContact O-N 3.25Å; A290-T292 VanDerWaalsContact C-N 3.26Å; A290-T292 PolarHBondContact O-N 3.35Å; A290-N294 VanDerWaalsContact O-CB 3.23Å; A290-N294 WeakPolarHBondContact O-CB 3.28Å; A290-N294 PolarHBondContact O-N 3.16Å
291A40.4Very low41.2Very low65 Ų65112.1 Ų112.154%0.53756%0.559SS.*Hα-helixtrans-67.9-28.4171.800000112.2I287 C295I287-A291 WeakPolarHBondContact O-CB 3.48Å; I287-A291 PolarHBondContact O-N 3.19Å; A291-C295 WeakPolarHBondContact O-CB 3.22Å
292T39.8Very low41.4Very low79 Ų79109.6 Ų109.649%0.48555%0.552SS.*Hα-helixtrans-82.4-39175.9-39.70000111.5V288 R289 A290 Y296V288-T292 PolarHBondContact O-N 3.05Å; V288-T292 PolarHBondContact O-OG1 3.31Å; R289-T292 CarbonylContact O-C 3.6Å; R289-T292 PolarHBondContact O-N 3.24Å; R289-T292 VanDerWaalsContact O-N 3.11Å; A290-T292 VanDerWaalsContact C-N 3.26Å; A290-T292 PolarHBondContact O-N 3.35Å; T292-Y296 WeakPolarHBondContact O-CD2 3.35Å; T292-Y296 PolarHBondContact O-N 3.29Å
293Y37.3Very low42Very low159 Ų159107.2 Ų107.262%0.62454%0.539SS*.Hα-helixtrans-73.9-45.2178.9-91-88000112.9R289 C295 Y296 E297R289-Y293 WeakPolarHBondContact O-CB 3.49Å; R289-Y293 WeakPolarHBondContact O-CD2 3.42Å; R289-Y293 PolarHBondContact O-N 3.35Å; Y293-C295 VanDerWaalsContact C-N 3.28Å; Y293-C295 PolarHBondContact O-N 3.23Å; Y293-Y296 PolarHBondContact O-N 2.95Å; Y293-Y296 VanDerWaalsContact O-N 3.09Å; Y293-E297 PolarHBondContact O-N 3.34Å
294N41.8Very low42.3Very low99 Ų99110.3 Ų110.353%0.52955%0.553SS.*Hα-helixtrans-66.5-30.7178.7-75.56.3000112.2A290 Y296 E298A290-N294 VanDerWaalsContact O-CB 3.23Å; A290-N294 WeakPolarHBondContact O-CB 3.28Å; A290-N294 PolarHBondContact O-N 3.16Å; N294-Y296 VanDerWaalsContact C-N 3.28Å; N294-Y296 PolarHBondContact O-N 2.61Å; N294-E298 WeakPolarHBondContact O-CB 3.38Å; N294-E298 PolarHBondContact O-N 3.09Å; N294-E298 VanDerWaalsContact O-N 3.09Å
295C41.6Very low42.7Very low75 Ų75111.5 Ų111.551%0.50755%0.553SS.*Hα-helixtrans-74-20.8176.1-138.80000113.1A291 Y293A291-C295 WeakPolarHBondContact O-CB 3.22Å; Y293-C295 VanDerWaalsContact C-N 3.28Å; Y293-C295 PolarHBondContact O-N 3.23Å
296Y39.5Very low43.4Very low168 Ų168110.4 Ų110.466%0.65955%0.553SS**Hα-helixtrans-84.1-46.1173-99-90.6000111.6T292 Y293 N294 R299 E300T292-Y296 WeakPolarHBondContact O-CD2 3.35Å; T292-Y296 PolarHBondContact O-N 3.29Å; Y293-Y296 PolarHBondContact O-N 2.95Å; Y293-Y296 VanDerWaalsContact O-N 3.09Å; N294-Y296 VanDerWaalsContact C-N 3.28Å; N294-Y296 PolarHBondContact O-N 2.61Å; Y296-R299 PolarHBondContact O-N 3.16Å; Y296-E300 PolarHBondContact O-N 3.35Å; Y296-E300 VanDerWaalsContact O-N 3.14Å
297E44.2Very low43.7Very low126 Ų126112.8 Ų112.859%0.58957%0.566SS**Hα-helixtrans-64.3-41.2177.9-89.2-177.1152.200112.7Y293 R299 E300 E301Y293-E297 PolarHBondContact O-N 3.34Å; E297-R299 VanDerWaalsContact C-N 3.25Å; E297-R299 PolarHBondContact O-N 3.3Å; E297-E300 PolarHBondContact O-N 3.26Å; E297-E300 VanDerWaalsContact O-N 3.16Å; E297-E301 PolarHBondContact O-N 3Å
298E43.7Very low43.6Very low110 Ų110112.3 Ų112.351%0.51458%0.581SS.*Hα-helixtrans-70.8-22.1-179.1-138.4-168.5150.700112.8N294 K302N294-E298 WeakPolarHBondContact O-CB 3.38Å; N294-E298 PolarHBondContact O-N 3.09Å; N294-E298 VanDerWaalsContact O-N 3.09Å; E298-K302 WeakPolarHBondContact O-CB 3.46Å; E298-K302 PolarHBondContact O-N 2.78Å; E298-K302 IonicContact OE1-NZ 2.86Å; E298-K302 PolarHBondContact OE1-NZ 3.33Å
299R47.4Very low43.5Very low191 Ų191115.2 Ų115.272%0.72159%0.591SS**Hα-helixtrans-78.1-36.2170.4-84.6-167.5-159.1-143.83.4112.1Y296 E297 A303Y296-R299 PolarHBondContact O-N 3.16Å; E297-R299 VanDerWaalsContact C-N 3.25Å; E297-R299 PolarHBondContact O-N 3.3Å; R299-A303 WeakPolarHBondContact O-CB 3.26Å; R299-A303 PolarHBondContact O-N 3.35Å
300E45.9Very low43.8Very low126 Ų126119.8 Ų119.859%0.58962%0.617SS**Hα-helixtrans-73.4-40.8177.4-72.6-161.8165.400111.9Y296 E297 K302 A303 I304Y296-E300 PolarHBondContact O-N 3.35Å; Y296-E300 VanDerWaalsContact O-N 3.14Å; E297-E300 PolarHBondContact O-N 3.26Å; E297-E300 VanDerWaalsContact O-N 3.16Å; E300-K302 PolarHBondContact O-N 2.97Å; E300-A303 PolarHBondContact O-N 3.08Å; E300-I304 HydrophobicContact CB-CD1 4.42Å; E300-I304 VanDerWaalsContact O-CB 3.25Å; E300-I304 WeakPolarHBondContact O-CB 3.41Å; E300-I304 WeakPolarHBondContact O-CD1 3.49Å; E300-I304 WeakPolarHBondContact O-CG1 3.05Å; E300-I304 PolarHBondContact O-N 3.01Å
301E46.3Very low43.9Very low148 Ų148123.7 Ų123.769%0.69263%0.63SS**Hα-helixtrans-64.3-38.8174.8-85.5-170.714900112.4E297 S305E297-E301 PolarHBondContact O-N 3Å; E301-S305 WeakPolarHBondContact O-CB 3.48Å; E301-S305 PolarHBondContact O-N 2.83Å
302K45.5Very low44.1Very low120 Ų120126.8 Ų126.852%0.52264%0.635SS.*Hα-helixtrans-75.6-31175.6-74.9173.7179.8156.30112.9E298 E300 I306E298-K302 WeakPolarHBondContact O-CB 3.46Å; E298-K302 PolarHBondContact O-N 2.78Å; E298-K302 IonicContact OE1-NZ 2.86Å; E298-K302 PolarHBondContact OE1-NZ 3.33Å; E300-K302 PolarHBondContact O-N 2.97Å; K302-I306 WeakPolarHBondContact O-CB 3.44Å; K302-I306 VanDerWaalsContact O-CD1 3.29Å; K302-I306 WeakPolarHBondContact O-CD1 3.33Å; K302-I306 WeakPolarHBondContact O-CG1 3.21Å; K302-I306 PolarHBondContact O-N 3.34Å
303A46.8Very low44.3Very low52 Ų52129.4 Ų129.443%0.4364%0.643SS.*Hα-helixtrans-76.4-2917500000113.2R299 E300 N307R299-A303 WeakPolarHBondContact O-CB 3.26Å; R299-A303 PolarHBondContact O-N 3.35Å; E300-A303 PolarHBondContact O-N 3.08Å; A303-N307 PolarHBondContact O-ND2 2.93Å
304I49.6Very low44.7Very low125 Ų125127.7 Ų127.764%0.64164%0.644SS**Hα-helixtrans-80.5-33.8174.4-66.1166.6000110.5E300E300-I304 HydrophobicContact CB-CD1 4.42Å; E300-I304 VanDerWaalsContact O-CB 3.25Å; E300-I304 WeakPolarHBondContact O-CB 3.41Å; E300-I304 WeakPolarHBondContact O-CD1 3.49Å; E300-I304 WeakPolarHBondContact O-CG1 3.05Å; E300-I304 PolarHBondContact O-N 3.01Å
305S46.7Very low44.9Very low73 Ų73129.5 Ų129.551%0.5165%0.652SS.*Hα-helixtrans-72-23.6174.9176.30000114.2E301E301-S305 WeakPolarHBondContact O-CB 3.48Å; E301-S305 PolarHBondContact O-N 2.83Å
306I50.3Low45.1Very low125 Ų125133.1 Ų133.164%0.64166%0.661SS**Hα-helixtrans-89.5-16.8-179.3-68169.4000112.2K302K302-I306 WeakPolarHBondContact O-CB 3.44Å; K302-I306 VanDerWaalsContact O-CD1 3.29Å; K302-I306 WeakPolarHBondContact O-CD1 3.33Å; K302-I306 WeakPolarHBondContact O-CG1 3.21Å; K302-I306 PolarHBondContact O-N 3.34Å
307N45.2Very low45.5Very low144 Ų144130.6 Ų130.677%0.7766%0.661SS**THydrogen-bonded Turntrans-94.77.9172.8-76-42.5000114A303A303-N307 PolarHBondContact O-ND2 2.93Å
308G43.7Very low45.6Very low71 Ų71131 Ų13173%0.73267%0.667SS**THydrogen-bonded Turntrans-114.78.7174.200000113.9
309M40.9Very low45.8Very low142 Ų142132.8 Ų132.870%0.768%0.68SS**  trans-145.245.5-173.8-154.1-178.8-64.200111.1
310F41.1Very low45.6Very low276 Ų276127.5 Ų127.5100%1.21168%0.676SS**  trans-1760152.6-92.8-65.8000109.4

Retrieved 310 of 310 residues in 228.5 ms (Link to these results)

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