A0A3Q0KN21_SCHMA Loading...

Putative fgf receptor activating protein

AlphaFold DB , UniProt , Accession A0A3Q0KN21, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 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
1M80.5Confident87.1Confident189 Ų18986 Ų8693%0.93145%0.453SS*.  0-580-64.6-52.8-82.700112.4I3 I4 S5M1-I3 PolarHBondContact O-N 3.43Å; M1-I4 PolarHBondContact O-N 3.47Å; M1-S5 PolarHBondContact O-N 3.5Å; M1-S5 PolarHBondContact O-OG 3.41Å
2W84.3Confident86.9Confident158 Ų15880.1 Ų80.160%0.59843%0.428SS*.Hα-helixtrans-57.1-46.8-175.6179.379.2000115.2I4 S5 I6 S58W2-I4 VanDerWaalsContact C-N 3.34Å; W2-I4 PolarHBondContact O-N 3.48Å; W2-S5 WeakPolarHBondContact O-CB 3.37Å; W2-S5 PolarHBondContact O-N 3.43Å; W2-S5 VanDerWaalsContact O-N 3.17Å; W2-I6 HydrophobicContact CD2-CD1 3.79Å; W2-I6 HydrophobicContact CE3-CD1 4.22Å; W2-I6 HydrophobicContact CH2-CD1 3.67Å; W2-I6 HydrophobicContact CZ2-CD1 3.15Å; W2-I6 HydrophobicContact CZ3-CD1 4.18Å; W2-I6 PolarHBondContact O-N 3Å; W2-S58 VanDerWaalsContact CH2-CB 3.45Å; W2-S58 VanDerWaalsContact CH2-OG 3.31Å; W2-S58 WeakPolarHBondContact CH2-OG 3.49Å; W2-S58 WeakPolarHBondContact CZ3-O 3.26Å
3I87.5Confident87Confident70 Ų7077.2 Ų77.236%0.35941%0.408SS..Hα-helixtrans-59.5-43.2179.2-58.5175.3000111.7M1 S5 I6 L7 I59M1-I3 PolarHBondContact O-N 3.43Å; I3-S5 VanDerWaalsContact C-N 3.32Å; I3-S5 PolarHBondContact O-N 3.43Å; I3-I6 PolarHBondContact O-N 3.14Å; I3-L7 HydrophobicContact CG2-CD1 3.99Å; I3-L7 HydrophobicContact CG2-CG 4.46Å; I3-L7 WeakPolarHBondContact O-CG 3.38Å; I3-L7 PolarHBondContact O-N 3.25Å; I3-I59 HydrophobicContact CG2-CG1 4.47Å
4I88.4Confident87Confident102 Ų10275.8 Ų75.852%0.52340%0.4SS..Hα-helixtrans-62.9-41.6179.3-62.6172.7000110.2M1 W2 I6 L7 I8M1-I4 PolarHBondContact O-N 3.47Å; W2-I4 VanDerWaalsContact C-N 3.34Å; W2-I4 PolarHBondContact O-N 3.48Å; I4-I6 VanDerWaalsContact C-N 3.34Å; I4-I6 PolarHBondContact O-N 2.85Å; I4-L7 PolarHBondContact O-N 3.47Å; I4-I8 HydrophobicContact CG2-CD1 3.81Å; I4-I8 HydrophobicContact CG2-CG1 4.42Å; I4-I8 VanDerWaalsContact O-CG1 3.31Å; I4-I8 WeakPolarHBondContact O-CG1 3.38Å; I4-I8 PolarHBondContact O-N 3.01Å
5S88.4Confident86.8Confident65 Ų6573.7 Ų73.746%0.45539%0.389SS..Hα-helixtrans-62-40.6176-57.50000112.3M1 W2 I3 T9M1-S5 PolarHBondContact O-N 3.5Å; M1-S5 PolarHBondContact O-OG 3.41Å; W2-S5 WeakPolarHBondContact O-CB 3.37Å; W2-S5 PolarHBondContact O-N 3.43Å; W2-S5 VanDerWaalsContact O-N 3.17Å; I3-S5 VanDerWaalsContact C-N 3.32Å; I3-S5 PolarHBondContact O-N 3.43Å; S5-T9 WeakPolarHBondContact O-CB 3.41Å; S5-T9 WeakPolarHBondContact O-CG2 3.35Å; S5-T9 PolarHBondContact O-N 3.28Å; S5-T9 PolarHBondContact O-OG1 3.35Å
6I87Confident86.6Confident22 Ų2270.4 Ų70.411%0.11337%0.371CS..Hα-helixtrans-66.4-42.2175.7-68.4-177.9000111.2W2 I3 I4 I8 T9 S10 L54 S58W2-I6 HydrophobicContact CD2-CD1 3.79Å; W2-I6 HydrophobicContact CE3-CD1 4.22Å; W2-I6 HydrophobicContact CH2-CD1 3.67Å; W2-I6 HydrophobicContact CZ2-CD1 3.15Å; W2-I6 HydrophobicContact CZ3-CD1 4.18Å; W2-I6 PolarHBondContact O-N 3Å; I3-I6 PolarHBondContact O-N 3.14Å; I4-I6 VanDerWaalsContact C-N 3.34Å; I4-I6 PolarHBondContact O-N 2.85Å; I6-I8 PolarHBondContact O-N 3.19Å; I6-T9 WeakPolarHBondContact CA-OG1 3.48Å; I6-T9 PolarHBondContact O-N 2.88Å; I6-T9 PolarHBondContact O-OG1 3.05Å; I6-S10 WeakPolarHBondContact O-CB 3.49Å; I6-S10 PolarHBondContact O-N 3.26Å; I6-S10 PolarHBondContact O-OG 3.33Å; I6-S10 VanDerWaalsContact O-OG 3.07Å; I6-L54 HydrophobicContact CG2-CD2 4.43Å; I6-L54 HydrophobicContact CG2-CG 4.32Å; I6-S58 WeakPolarHBondContact CD1-OG 3.28Å
7L90.1Very high86.6Confident82 Ų8266.7 Ų66.743%0.42935%0.352SS..Hα-helixtrans-60.9-46.1176.6-74.6166.5000111.6I3 I4 S10 A11 N55I3-L7 HydrophobicContact CG2-CD1 3.99Å; I3-L7 HydrophobicContact CG2-CG 4.46Å; I3-L7 WeakPolarHBondContact O-CG 3.38Å; I3-L7 PolarHBondContact O-N 3.25Å; I4-L7 PolarHBondContact O-N 3.47Å; L7-S10 WeakPolarHBondContact CA-OG 3.37Å; L7-S10 PolarHBondContact O-N 2.87Å; L7-S10 PolarHBondContact O-OG 3.34Å; L7-A11 WeakPolarHBondContact O-CB 3.42Å; L7-A11 PolarHBondContact O-N 3.22Å; L7-N55 WeakPolarHBondContact CD2-OD1 3.48Å
8I87.8Confident86.4Confident115 Ų11567.4 Ų67.459%0.5935%0.352SS*.Hα-helixtrans-62.9-47.8178.4-68167.7000111.1I4 I6 S10 A11 G12I4-I8 HydrophobicContact CG2-CD1 3.81Å; I4-I8 HydrophobicContact CG2-CG1 4.42Å; I4-I8 VanDerWaalsContact O-CG1 3.31Å; I4-I8 WeakPolarHBondContact O-CG1 3.38Å; I4-I8 PolarHBondContact O-N 3.01Å; I6-I8 PolarHBondContact O-N 3.19Å; I8-S10 VanDerWaalsContact C-N 3.34Å; I8-S10 PolarHBondContact O-N 2.74Å; I8-A11 PolarHBondContact O-N 3.1Å; I8-G12 PolarHBondContact O-N 3.01Å
9T87.9Confident86.1Confident87 Ų8764.4 Ų64.453%0.53434%0.336SS..Hα-helixtrans-65.6-37.7179.351.30000112.1S5 I6 G12 R13S5-T9 WeakPolarHBondContact O-CB 3.41Å; S5-T9 WeakPolarHBondContact O-CG2 3.35Å; S5-T9 PolarHBondContact O-N 3.28Å; S5-T9 PolarHBondContact O-OG1 3.35Å; I6-T9 WeakPolarHBondContact CA-OG1 3.48Å; I6-T9 PolarHBondContact O-N 2.88Å; I6-T9 PolarHBondContact O-OG1 3.05Å; T9-G12 PolarHBondContact O-N 3.24Å; T9-R13 PolarHBondContact O-N 3.46Å; T9-R13 VanDerWaalsContact O-N 3.08Å
10S88.8Confident85.9Confident6 Ų662.2 Ų62.24%0.04233%0.327CS..Hα-helixtrans-67.2-35.8176.472.30000112.9I6 L7 I8 G12 R13 L14 N55I6-S10 WeakPolarHBondContact O-CB 3.49Å; I6-S10 PolarHBondContact O-N 3.26Å; I6-S10 PolarHBondContact O-OG 3.33Å; I6-S10 VanDerWaalsContact O-OG 3.07Å; L7-S10 WeakPolarHBondContact CA-OG 3.37Å; L7-S10 PolarHBondContact O-N 2.87Å; L7-S10 PolarHBondContact O-OG 3.34Å; I8-S10 VanDerWaalsContact C-N 3.34Å; I8-S10 PolarHBondContact O-N 2.74Å; S10-G12 VanDerWaalsContact C-N 3.33Å; S10-G12 PolarHBondContact O-N 3.28Å; S10-R13 WeakPolarHBondContact O-CB 3.08Å; S10-R13 PolarHBondContact O-N 2.88Å; S10-L14 WeakPolarHBondContact O-CG 3.46Å; S10-L14 PolarHBondContact O-N 3.3Å; S10-N55 PolarHBondContact OG-ND2 3.06Å
11A86.9Confident85.8Confident50 Ų5061.1 Ų61.141%0.41332%0.318SS..Hα-helixtrans-61.1-42.2172.100000111.6L7 I8 R13 L14 L15L7-A11 WeakPolarHBondContact O-CB 3.42Å; L7-A11 PolarHBondContact O-N 3.22Å; I8-A11 PolarHBondContact O-N 3.1Å; A11-R13 VanDerWaalsContact C-N 3.35Å; A11-R13 PolarHBondContact O-N 3.08Å; A11-L14 PolarHBondContact O-N 3.39Å; A11-L15 PolarHBondContact O-N 3.05Å
12G85.3Confident85.8Confident15 Ų1554 Ų5416%0.15528%0.283CS..Hα-helixtrans-59.5-43172.800000112.7I8 T9 S10 L14 L15 I16I8-G12 PolarHBondContact O-N 3.01Å; T9-G12 PolarHBondContact O-N 3.24Å; S10-G12 VanDerWaalsContact C-N 3.33Å; S10-G12 PolarHBondContact O-N 3.28Å; G12-L14 PolarHBondContact O-N 3.5Å; G12-L15 PolarHBondContact O-N 3.25Å; G12-I16 WeakPolarHBondContact O-CG1 3.22Å; G12-I16 PolarHBondContact O-N 2.93Å
13R87.5Confident85.5Confident42 Ų4247.6 Ų47.616%0.15826%0.261CS..Hα-helixtrans-62.5-39.8176.1-71.2175.760-174-5.8112.5T9 S10 A11 L15 I16 L17 E50 I51 H158T9-R13 PolarHBondContact O-N 3.46Å; T9-R13 VanDerWaalsContact O-N 3.08Å; S10-R13 WeakPolarHBondContact O-CB 3.08Å; S10-R13 PolarHBondContact O-N 2.88Å; A11-R13 VanDerWaalsContact C-N 3.35Å; A11-R13 PolarHBondContact O-N 3.08Å; R13-L15 PolarHBondContact O-N 3.34Å; R13-I16 PolarHBondContact O-N 3.3Å; R13-L17 VanDerWaalsContact O-CB 3.27Å; R13-L17 WeakPolarHBondContact O-CB 3.21Å; R13-L17 PolarHBondContact O-N 2.86Å; R13-E50 IonicContact CZ-OE1 3.43Å; R13-E50 IonicContact NH1-OE1 2.81Å; R13-E50 IonicContact NH2-OE1 2.65Å; R13-E50 PolarHBondContact NH2-OE1 2.79Å; R13-E50 IonicContact NH2-OE2 3.78Å; R13-E50 PolarHBondContact NH2-OE2 3.32Å; R13-I51 HydrophobicContact CB-CD1 3.85Å; R13-H158 PolarHBondContact NH2-CD2 2.9Å; R13-H158 PolarHBondContact NH2-CE1 3.09Å; R13-H158 PolarHBondContact NH2-NE2 3.34Å
14L87.5Confident85.2Confident58 Ų5844.7 Ų44.730%0.30425%0.247SC..Hα-helixtrans-63.7-38.4177.2-72.7172.3000112.5S10 A11 G12 L17 F18 F48 I51S10-L14 WeakPolarHBondContact O-CG 3.46Å; S10-L14 PolarHBondContact O-N 3.3Å; A11-L14 PolarHBondContact O-N 3.39Å; G12-L14 PolarHBondContact O-N 3.5Å; L14-L17 HydrophobicContact CD2-CD2 4.34Å; L14-L17 PolarHBondContact O-N 3.4Å; L14-F18 WeakPolarHBondContact O-CB 3.24Å; L14-F18 PolarHBondContact O-N 3.39Å; L14-F48 HydrophobicContact CD2-CD2 3.96Å; L14-F48 HydrophobicContact CD2-CE2 4.5Å; L14-I51 HydrophobicContact CD1-CG2 4.46Å; L14-I51 HydrophobicContact CD2-CD1 3.68Å; L14-I51 HydrophobicContact CD2-CG2 4.37Å; L14-I51 HydrophobicContact CG-CD1 3.98Å; L14-I51 HydrophobicContact CG-CG2 4.29Å
15L84.3Confident84.9Confident44 Ų4445.5 Ų45.523%0.2324%0.244CC..Hα-helixtrans-63.4-46.2175.7-70.7173.5000111.8A11 G12 R13 L17 F18 N19 M173 I174 F177A11-L15 PolarHBondContact O-N 3.05Å; G12-L15 PolarHBondContact O-N 3.25Å; R13-L15 PolarHBondContact O-N 3.34Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.48Å; L15-F18 PolarHBondContact O-N 2.76Å; L15-N19 PolarHBondContact O-N 3.41Å; L15-N19 VanDerWaalsContact O-N 3.15Å; L15-M173 HydrophobicContact CB-SD 3.91Å; L15-I174 HydrophobicContact CD1-CG1 4.36Å; L15-F177 HydrophobicContact CD2-CD2 4.12Å; L15-F177 HydrophobicContact CD2-CE2 4.4Å; L15-F177 HydrophobicContact CD2-CG 4.19Å
16I83.6Confident84.4Confident21 Ų2146.3 Ų46.311%0.10824%0.243CC..Hα-helixtrans-62.5-43.9176.9-65.4171.5000110.5G12 R13 F18 N19 S20 T161 S162 F165 M173G12-I16 WeakPolarHBondContact O-CG1 3.22Å; G12-I16 PolarHBondContact O-N 2.93Å; R13-I16 PolarHBondContact O-N 3.3Å; I16-F18 PolarHBondContact O-N 2.9Å; I16-N19 PolarHBondContact O-N 2.93Å; I16-S20 WeakPolarHBondContact O-CB 3.41Å; I16-S20 PolarHBondContact O-N 3.33Å; I16-T161 HydrophobicContact CG2-CG2 4.44Å; I16-S162 WeakPolarHBondContact CD1-OG 3.42Å; I16-F165 HydrophobicContact CG2-CD2 3.93Å; I16-F165 HydrophobicContact CG2-CE2 3.5Å; I16-F165 HydrophobicContact CG2-CZ 4.25Å; I16-M173 HydrophobicContact CG1-CE 3.8Å; I16-M173 HydrophobicContact CG1-SD 3.9Å
17L86Confident84Confident8 Ų846 Ų464%0.04224%0.241CC..Hα-helixtrans-59.2-45.8177.917966.5000111.5R13 L14 L15 N19 S20 Y21 Y44 Y83R13-L17 VanDerWaalsContact O-CB 3.27Å; R13-L17 WeakPolarHBondContact O-CB 3.21Å; R13-L17 PolarHBondContact O-N 2.86Å; L14-L17 HydrophobicContact CD2-CD2 4.34Å; L14-L17 PolarHBondContact O-N 3.4Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.48Å; L17-N19 PolarHBondContact O-N 3Å; L17-S20 PolarHBondContact O-N 3.15Å; L17-Y21 WeakPolarHBondContact O-CB 3.47Å; L17-Y21 PolarHBondContact O-N 3.43Å; L17-Y44 HydrophobicContact CD1-CD2 4.25Å; L17-Y44 HydrophobicContact CD2-CD2 3.83Å; L17-Y44 HydrophobicContact CD2-CE2 3.88Å; L17-Y44 HydrophobicContact CG-CD2 3.68Å; L17-Y44 HydrophobicContact CG-CE2 3.94Å; L17-Y83 HydrophobicContact CD1-CE2 4.28Å
18F84.3Confident83.5Confident79 Ų7942.2 Ų42.235%0.34622%0.221SC..Hα-helixtrans-61.2-44.1178.6-175.6-105.6000111.9L14 L15 I16 Y21 I22 F177L14-F18 WeakPolarHBondContact O-CB 3.24Å; L14-F18 PolarHBondContact O-N 3.39Å; L15-F18 PolarHBondContact O-N 2.76Å; I16-F18 PolarHBondContact O-N 2.9Å; F18-Y21 PolarHBondContact O-N 3.11Å; F18-I22 HydrophobicContact CD1-CD1 3.83Å; F18-I22 HydrophobicContact CE1-CD1 3.35Å; F18-I22 HydrophobicContact CE1-CG1 4.44Å; F18-I22 HydrophobicContact CE2-CD1 4.3Å; F18-I22 HydrophobicContact CG-CD1 4.49Å; F18-I22 HydrophobicContact CZ-CD1 3.63Å; F18-I22 HydrophobicContact CZ-CG1 4.43Å; F18-I22 WeakPolarHBondContact O-CG1 3.42Å; F18-I22 PolarHBondContact O-N 3.26Å; F18-I22 VanDerWaalsContact O-N 3.07Å; F18-F177 AromaticContact CD1-CD2 3.88Å; F18-F177 HydrophobicContact CD1-CD2 3.88Å; F18-F177 AromaticContact CD1-CE2 3.66Å; F18-F177 HydrophobicContact CD1-CE2 3.66Å; F18-F177 AromaticContact CE1-CD2 3.99Å; F18-F177 HydrophobicContact CE1-CD2 3.99Å; F18-F177 AromaticContact CE1-CE2 3.67Å; F18-F177 HydrophobicContact CE1-CE2 3.67Å; F18-F177 HydrophobicContact CG-CE2 4.35Å; F18-F177 HydrophobicContact CZ-CE2 4.39Å
19N80.3Confident83.1Confident10 Ų1041 Ų415%0.05322%0.216CC..Hα-helixtrans-64.6-41.5176.1-171.259000112.1L15 I16 L17 Y21 I22 N23 F165 I183L15-N19 PolarHBondContact O-N 3.41Å; L15-N19 VanDerWaalsContact O-N 3.15Å; I16-N19 PolarHBondContact O-N 2.93Å; L17-N19 PolarHBondContact O-N 3Å; N19-Y21 VanDerWaalsContact C-N 3.34Å; N19-Y21 PolarHBondContact O-N 2.86Å; N19-I22 PolarHBondContact O-N 3.31Å; N19-N23 WeakPolarHBondContact O-CB 3.38Å; N19-N23 PolarHBondContact O-N 3.32Å; N19-N23 VanDerWaalsContact O-N 3.08Å; N19-F165 WeakPolarHBondContact ND2-CE1 3.48Å; N19-I183 PolarHBondContact OD1-N 2.76Å
20S81.3Confident82.5Confident21 Ų2140.4 Ų40.415%0.14722%0.215CC..Hα-helixtrans-62.9-39.9175-167.70000112.4I16 L17 N23 S24I16-S20 WeakPolarHBondContact O-CB 3.41Å; I16-S20 PolarHBondContact O-N 3.33Å; L17-S20 PolarHBondContact O-N 3.15Å; S20-N23 PolarHBondContact O-N 3.48Å; S20-S24 WeakPolarHBondContact O-CB 3.47Å; S20-S24 PolarHBondContact O-N 3.07Å; S20-S24 PolarHBondContact O-OG 3.32Å
21Y84.1Confident81.8Confident39 Ų3943.4 Ų43.415%0.15323%0.231CC..Hα-helixtrans-61.8-51176.9174.3-107.6000111.8L17 F18 N19 N23 S24 R25 S40 N41 Y44L17-Y21 WeakPolarHBondContact O-CB 3.47Å; L17-Y21 PolarHBondContact O-N 3.43Å; F18-Y21 PolarHBondContact O-N 3.11Å; N19-Y21 VanDerWaalsContact C-N 3.34Å; N19-Y21 PolarHBondContact O-N 2.86Å; Y21-N23 VanDerWaalsContact C-N 3.32Å; Y21-N23 PolarHBondContact O-N 2.86Å; Y21-S24 PolarHBondContact O-N 3.5Å; Y21-S24 PolarHBondContact O-OG 2.9Å; Y21-R25 WeakPolarHBondContact O-CB 3.46Å; Y21-R25 PolarHBondContact O-N 2.87Å; Y21-R25 PolarHBondContact OH-NH1 3.46Å; Y21-S40 WeakPolarHBondContact CD2-OG 3.03Å; Y21-N41 VanDerWaalsContact CE2-OD1 3.22Å; Y21-N41 WeakPolarHBondContact CE2-OD1 3.38Å; Y21-N41 PolarHBondContact OH-OD1 3.12Å; Y21-Y44 HydrophobicContact CD2-CD2 4.25Å; Y21-Y44 HydrophobicContact CD2-CG 4.06Å; Y21-Y44 AromaticContact CG-CD2 3.94Å; Y21-Y44 HydrophobicContact CG-CD2 3.94Å; Y21-Y44 HydrophobicContact CG-CG 4.18Å
22I81.2Confident80.7Confident39 Ų3946.4 Ų46.420%0.225%0.248CC..Hα-helixtrans-62.5-43.5179.5-61166000110.8F18 N19 S24 R25 N26 T182F18-I22 HydrophobicContact CD1-CD1 3.83Å; F18-I22 HydrophobicContact CE1-CD1 3.35Å; F18-I22 HydrophobicContact CE1-CG1 4.44Å; F18-I22 HydrophobicContact CE2-CD1 4.3Å; F18-I22 HydrophobicContact CG-CD1 4.49Å; F18-I22 HydrophobicContact CZ-CD1 3.63Å; F18-I22 HydrophobicContact CZ-CG1 4.43Å; F18-I22 WeakPolarHBondContact O-CG1 3.42Å; F18-I22 PolarHBondContact O-N 3.26Å; F18-I22 VanDerWaalsContact O-N 3.07Å; N19-I22 PolarHBondContact O-N 3.31Å; I22-S24 PolarHBondContact O-N 3.4Å; I22-R25 PolarHBondContact O-N 3.5Å; I22-N26 WeakPolarHBondContact O-CB 3.44Å; I22-N26 VanDerWaalsContact O-CG 3.28Å; I22-N26 PolarHBondContact O-N 2.83Å; I22-T182 HydrophobicContact CB-CG2 3.73Å; I22-T182 HydrophobicContact CD1-CG2 3.61Å; I22-T182 HydrophobicContact CG1-CG2 4.27Å; I22-T182 HydrophobicContact CG2-CG2 3.3Å
23N78.4Confident79.7Confident25 Ų2546.8 Ų46.813%0.13425%0.252CS..Hα-helixtrans-66.9-36.2-179.6-17556.2000112.9N19 S20 Y21 L27 R94 F185N19-N23 WeakPolarHBondContact O-CB 3.38Å; N19-N23 PolarHBondContact O-N 3.32Å; N19-N23 VanDerWaalsContact O-N 3.08Å; S20-N23 PolarHBondContact O-N 3.48Å; Y21-N23 VanDerWaalsContact C-N 3.32Å; Y21-N23 PolarHBondContact O-N 2.86Å; N23-L27 WeakPolarHBondContact O-CB 3.44Å; N23-L27 PolarHBondContact O-N 3.02Å; N23-L27 VanDerWaalsContact O-N 3.08Å; N23-R94 PolarHBondContact ND2-NH1 2.86Å; N23-R94 PolarHBondContact ND2-NH2 3Å; N23-F185 HydrophobicContact CB-CD2 3.85Å; N23-F185 HydrophobicContact CB-CE2 3.79Å; N23-F185 VanDerWaalsContact CG-CD2 3.42Å; N23-F185 WeakPolarHBondContact ND2-CD2 3.43Å; N23-F185 WeakPolarHBondContact ND2-CE2 3.3Å; N23-F185 VanDerWaalsContact ND2-CG 3.34Å; N23-F185 WeakPolarHBondContact ND2-CG 3.2Å
24S79.4Confident78.8Confident8 Ų854 Ų546%0.05629%0.285CS..Hα-helixtrans-70.2-38.6173.462.70000111.9S20 Y21 I22 L27 F28 S40S20-S24 WeakPolarHBondContact O-CB 3.47Å; S20-S24 PolarHBondContact O-N 3.07Å; S20-S24 PolarHBondContact O-OG 3.32Å; Y21-S24 PolarHBondContact O-N 3.5Å; Y21-S24 PolarHBondContact O-OG 2.9Å; I22-S24 PolarHBondContact O-N 3.4Å; S24-L27 PolarHBondContact O-N 3.08Å; S24-F28 WeakPolarHBondContact O-CB 3.35Å; S24-F28 WeakPolarHBondContact O-CD2 3.39Å; S24-F28 VanDerWaalsContact O-CG 3.24Å; S24-F28 WeakPolarHBondContact O-CG 3.34Å; S24-F28 PolarHBondContact O-N 3.27Å; S24-S40 PolarHBondContact OG-OG 3Å
25R82.4Confident78.1Confident120 Ų12053.5 Ų53.545%0.45329%0.294SS..Hα-helixtrans-62.8-43.3174.4-175.4170.7175.5177.8-7.1112Y21 I22 F28 N29Y21-R25 WeakPolarHBondContact O-CB 3.46Å; Y21-R25 PolarHBondContact O-N 2.87Å; Y21-R25 PolarHBondContact OH-NH1 3.46Å; I22-R25 PolarHBondContact O-N 3.5Å; R25-F28 PolarHBondContact O-N 2.9Å; R25-N29 WeakPolarHBondContact O-CB 2.79Å; R25-N29 PolarHBondContact O-N 3.5Å; R25-N29 PolarHBondContact O-ND2 2.99Å
26N78.3Confident77.9Confident81 Ų8153.6 Ų53.643%0.43329%0.293SS..Hα-helixtrans-63.1-43.6175.6-70.5-11000111.6I22 F28 N29 S30I22-N26 WeakPolarHBondContact O-CB 3.44Å; I22-N26 VanDerWaalsContact O-CG 3.28Å; I22-N26 PolarHBondContact O-N 2.83Å; N26-F28 PolarHBondContact O-N 3.28Å; N26-N29 PolarHBondContact O-N 3.35Å; N26-S30 PolarHBondContact O-N 3Å; N26-S30 VanDerWaalsContact O-N 3.14Å
27L78Confident77.7Confident17 Ų1755.1 Ų55.19%0.08930%0.301CS..Hα-helixtrans-59.9-44.7174.7-177.569.4000111.7N23 S24 S30 L31 R94N23-L27 WeakPolarHBondContact O-CB 3.44Å; N23-L27 PolarHBondContact O-N 3.02Å; N23-L27 VanDerWaalsContact O-N 3.08Å; S24-L27 PolarHBondContact O-N 3.08Å; L27-S30 WeakPolarHBondContact O-CB 3.34Å; L27-S30 PolarHBondContact O-N 3.31Å; L27-L31 HydrophobicContact CD1-CD1 4.2Å; L27-L31 HydrophobicContact CD2-CD1 4.49Å; L27-L31 HydrophobicContact CG-CD1 3.91Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 2.75Å; L27-L31 VanDerWaalsContact O-N 3.09Å; L27-R94 HydrophobicContact CD2-CB 4.11Å; L27-R94 HydrophobicContact CD2-CG 4.4Å
28F81Confident77.7Confident1 Ų158.7 Ų58.70%0.00433%0.326CS..Hα-helixtrans-76.1-29.7-178-64.3-37.7000114.2S24 R25 N26 S30 L31 S32 H36 I37 V90 L93S24-F28 WeakPolarHBondContact O-CB 3.35Å; S24-F28 WeakPolarHBondContact O-CD2 3.39Å; S24-F28 VanDerWaalsContact O-CG 3.24Å; S24-F28 WeakPolarHBondContact O-CG 3.34Å; S24-F28 PolarHBondContact O-N 3.27Å; R25-F28 PolarHBondContact O-N 2.9Å; N26-F28 PolarHBondContact O-N 3.28Å; F28-S30 VanDerWaalsContact C-N 3.25Å; F28-S30 PolarHBondContact O-N 3.48Å; F28-L31 HydrophobicContact CD1-CD1 4.2Å; F28-L31 PolarHBondContact O-N 3.31Å; F28-S32 PolarHBondContact O-N 2.78Å; F28-H36 HydrophobicContact CB-CB 3.88Å; F28-H36 HydrophobicContact CD1-CB 3.33Å; F28-H36 AromaticContact CD1-CG 3.94Å; F28-H36 HydrophobicContact CD2-CB 3.91Å; F28-H36 WeakPolarHBondContact CD2-O 3.13Å; F28-H36 HydrophobicContact CE1-CB 3.71Å; F28-H36 HydrophobicContact CE2-CB 4.24Å; F28-H36 WeakPolarHBondContact CE2-O 3.43Å; F28-H36 HydrophobicContact CG-CB 3.43Å; F28-H36 VanDerWaalsContact CG-CB 3.43Å; F28-H36 HydrophobicContact CZ-CB 4.14Å; F28-I37 HydrophobicContact CB-CG1 4.26Å; F28-V90 HydrophobicContact CE2-CG1 4.35Å; F28-V90 HydrophobicContact CE2-CG2 4.08Å; F28-V90 HydrophobicContact CZ-CB 4.36Å; F28-V90 HydrophobicContact CZ-CG1 3.99Å; F28-V90 HydrophobicContact CZ-CG2 3.93Å; F28-L93 HydrophobicContact CE1-CB 4.4Å; F28-L93 HydrophobicContact CE1-CD1 3.69Å; F28-L93 HydrophobicContact CZ-CD1 3.97Å
29N78.9Confident77.9Confident90 Ų9056.8 Ų56.848%0.48132%0.319SS..Hα-helixtrans-60.5-39.4167.6-74.1-15.2000110.6R25 N26R25-N29 WeakPolarHBondContact O-CB 2.79Å; R25-N29 PolarHBondContact O-N 3.5Å; R25-N29 PolarHBondContact O-ND2 2.99Å; N26-N29 PolarHBondContact O-N 3.35Å
30S76Confident78.1Confident74 Ų7456.4 Ų56.452%0.51732%0.317SS..Hα-helixtrans-69.7-29.3175.1-174.10000113.5N26 L27 F28N26-S30 PolarHBondContact O-N 3Å; N26-S30 VanDerWaalsContact O-N 3.14Å; L27-S30 WeakPolarHBondContact O-CB 3.34Å; L27-S30 PolarHBondContact O-N 3.31Å; F28-S30 VanDerWaalsContact C-N 3.25Å; F28-S30 PolarHBondContact O-N 3.48Å
31L74Confident78.5Confident70 Ų7058.3 Ų58.337%0.36633%0.325SS..THydrogen-bonded Turntrans-89.56.5-177.2-70.7166.4000113.9L27 F28 G33L27-L31 HydrophobicContact CD1-CD1 4.2Å; L27-L31 HydrophobicContact CD2-CD1 4.49Å; L27-L31 HydrophobicContact CG-CD1 3.91Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 2.75Å; L27-L31 VanDerWaalsContact O-N 3.09Å; F28-L31 HydrophobicContact CD1-CD1 4.2Å; F28-L31 PolarHBondContact O-N 3.31Å; L31-G33 PolarHBondContact O-N 2.81Å
32S62.5Low78.8Confident112 Ų11260.4 Ų60.478%0.78334%0.339SS*.THydrogen-bonded Turntrans53.813169.4-165.90000117.4F28F28-S32 PolarHBondContact O-N 2.78Å
33G65.9Low79.3Confident23 Ų2359.1 Ų59.124%0.23733%0.334CS..  trans-104.8108.6-178.800000112.6L31 G35 H36L31-G33 PolarHBondContact O-N 2.81Å; G33-G35 PolarHBondContact O-N 2.86Å; G33-H36 PolarHBondContact O-N 3.06Å
34K67.1Low79.9Confident193 Ų19361.1 Ų61.184%0.83934%0.34SS*.Hα-helixtrans-50.3-33.8176.7-70.6-176.6-179.4177.50113.2H36 I37K34-H36 VanDerWaalsContact C-N 3.29Å; K34-H36 PolarHBondContact O-N 3.38Å; K34-I37 PolarHBondContact O-N 2.86Å
35G73.3Confident80.6Confident49 Ų4965.3 Ų65.351%0.50536%0.361SS..Hα-helixtrans-61.8-32.9179.500000113.9G33 C38 I39G33-G35 PolarHBondContact O-N 2.86Å; G35-C38 WeakPolarHBondContact O-CB 3.43Å; G35-C38 PolarHBondContact O-N 3.36Å; G35-I39 WeakPolarHBondContact O-CG1 3.32Å; G35-I39 PolarHBondContact O-N 3.3Å
36H79.6Confident81.1Confident46 Ų4659.7 Ų59.721%0.21334%0.34CS..Hα-helixtrans-76-29.1-176.4-61.4-58000113.2F28 G33 K34 C38 I39 S40 L93F28-H36 HydrophobicContact CB-CB 3.88Å; F28-H36 HydrophobicContact CD1-CB 3.33Å; F28-H36 AromaticContact CD1-CG 3.94Å; F28-H36 HydrophobicContact CD2-CB 3.91Å; F28-H36 WeakPolarHBondContact CD2-O 3.13Å; F28-H36 HydrophobicContact CE1-CB 3.71Å; F28-H36 HydrophobicContact CE2-CB 4.24Å; F28-H36 WeakPolarHBondContact CE2-O 3.43Å; F28-H36 HydrophobicContact CG-CB 3.43Å; F28-H36 VanDerWaalsContact CG-CB 3.43Å; F28-H36 HydrophobicContact CZ-CB 4.14Å; G33-H36 PolarHBondContact O-N 3.06Å; K34-H36 VanDerWaalsContact C-N 3.29Å; K34-H36 PolarHBondContact O-N 3.38Å; H36-C38 VanDerWaalsContact C-N 3.32Å; H36-C38 PolarHBondContact O-N 3.44Å; H36-I39 PolarHBondContact O-N 3.35Å; H36-S40 PolarHBondContact O-N 2.92Å; H36-L93 VanDerWaalsContact CE1-CD1 3.49Å; H36-L93 WeakPolarHBondContact CE1-CD1 3.38Å; H36-L93 VanDerWaalsContact ND1-CD1 3.25Å; H36-L93 WeakPolarHBondContact ND1-CD1 3.26Å
37I80.4Confident81.8Confident52 Ų5256 Ų5627%0.26732%0.32SS..Hα-helixtrans-64.3-40.7174.1-60.3172.2000110.2F28 K34 I39 S40 N41F28-I37 HydrophobicContact CB-CG1 4.26Å; K34-I37 PolarHBondContact O-N 2.86Å; I37-I39 VanDerWaalsContact C-N 3.28Å; I37-I39 PolarHBondContact O-N 3.41Å; I37-S40 PolarHBondContact O-N 2.99Å; I37-N41 PolarHBondContact O-N 3.11Å
38C85.8Confident82.5Confident84 Ų8459.6 Ų59.657%0.56834%0.335SS*.Hα-helixtrans-59.3-41.7175.9-171.50000111.4G35 H36 N41 L42G35-C38 WeakPolarHBondContact O-CB 3.43Å; G35-C38 PolarHBondContact O-N 3.36Å; H36-C38 VanDerWaalsContact C-N 3.32Å; H36-C38 PolarHBondContact O-N 3.44Å; C38-N41 PolarHBondContact O-N 3.3Å; C38-L42 WeakPolarHBondContact O-CB 3.49Å; C38-L42 PolarHBondContact O-N 2.78Å
39I87.4Confident83.2Confident39 Ų3962.2 Ų62.220%0.235%0.349CS..Hα-helixtrans-68-40179.9-61.8169.8000111.6G35 H36 I37 L42 S43 T86 Y89 V90G35-I39 WeakPolarHBondContact O-CG1 3.32Å; G35-I39 PolarHBondContact O-N 3.3Å; H36-I39 PolarHBondContact O-N 3.35Å; I37-I39 VanDerWaalsContact C-N 3.28Å; I37-I39 PolarHBondContact O-N 3.41Å; I39-L42 PolarHBondContact O-N 2.95Å; I39-S43 WeakPolarHBondContact O-CB 3.22Å; I39-S43 PolarHBondContact O-N 2.93Å; I39-T86 HydrophobicContact CG2-CG2 4.35Å; I39-Y89 HydrophobicContact CD1-CD1 3.93Å; I39-Y89 HydrophobicContact CD1-CE1 3.26Å; I39-Y89 HydrophobicContact CG1-CE1 4.46Å; I39-Y89 HydrophobicContact CG2-CD1 3.82Å; I39-Y89 HydrophobicContact CG2-CE1 4.21Å; I39-V90 HydrophobicContact CG2-CG2 4.12Å
40S85.3Confident84Confident1 Ų158 Ų581%0.00733%0.326CS..Hα-helixtrans-61.6-45.6173.4176.70000111.8Y21 S24 H36 I37 L42 S43 Y44Y21-S40 WeakPolarHBondContact CD2-OG 3.03Å; S24-S40 PolarHBondContact OG-OG 3Å; H36-S40 PolarHBondContact O-N 2.92Å; I37-S40 PolarHBondContact O-N 2.99Å; S40-L42 PolarHBondContact O-N 3.35Å; S40-S43 PolarHBondContact O-N 3.33Å; S40-Y44 PolarHBondContact O-N 3.21Å
41N88.9Confident84.8Confident61 Ų6154.7 Ų54.733%0.32630%0.303SS..Hα-helixtrans-62.5-42.1175.9-71-17.8000111.7Y21 I37 C38 S43 Y44 L45Y21-N41 VanDerWaalsContact CE2-OD1 3.22Å; Y21-N41 WeakPolarHBondContact CE2-OD1 3.38Å; Y21-N41 PolarHBondContact OH-OD1 3.12Å; I37-N41 PolarHBondContact O-N 3.11Å; C38-N41 PolarHBondContact O-N 3.3Å; N41-S43 PolarHBondContact O-N 2.92Å; N41-Y44 PolarHBondContact O-N 3.46Å; N41-L45 WeakPolarHBondContact O-CB 3.29Å; N41-L45 VanDerWaalsContact O-CG 3.32Å; N41-L45 WeakPolarHBondContact O-CG 3.37Å; N41-L45 PolarHBondContact O-N 3.25Å
42L91.8Very high85.8Confident83 Ų8356.2 Ų56.244%0.43531%0.307SS..Hα-helixtrans-62.8-41.5177.1-177.663000111.7C38 I39 S40 S46 V82 T86C38-L42 WeakPolarHBondContact O-CB 3.49Å; C38-L42 PolarHBondContact O-N 2.78Å; I39-L42 PolarHBondContact O-N 2.95Å; S40-L42 PolarHBondContact O-N 3.35Å; L42-S46 VanDerWaalsContact O-CB 3.26Å; L42-S46 WeakPolarHBondContact O-CB 3.41Å; L42-S46 PolarHBondContact O-N 3.06Å; L42-S46 PolarHBondContact O-OG 3.31Å; L42-V82 HydrophobicContact CD1-CG1 4.26Å; L42-V82 HydrophobicContact CD2-CG1 4.34Å; L42-V82 HydrophobicContact CG-CG1 4.14Å; L42-T86 HydrophobicContact CD2-CG2 3.88Å; L42-T86 HydrophobicContact CG-CG2 4.11Å
43S90.9Very high87.3Confident13 Ų1351 Ų519%0.09127%0.271CS..Hα-helixtrans-62.3-43.9175.4-168.50000111.7I39 S40 N41 S46 S47 T86I39-S43 WeakPolarHBondContact O-CB 3.22Å; I39-S43 PolarHBondContact O-N 2.93Å; S40-S43 PolarHBondContact O-N 3.33Å; N41-S43 PolarHBondContact O-N 2.92Å; S43-S46 WeakPolarHBondContact CA-OG 3.25Å; S43-S46 PolarHBondContact O-OG 3.46Å; S43-S47 WeakPolarHBondContact O-CB 3.32Å; S43-S47 PolarHBondContact O-N 3.23Å; S43-T86 WeakPolarHBondContact CA-OG1 3.49Å; S43-T86 VanDerWaalsContact CB-OG1 3.32Å; S43-T86 WeakPolarHBondContact CB-OG1 3.46Å; S43-T86 PolarHBondContact OG-OG1 2.87Å
44Y90.5Very high88.6Confident67 Ų6751.7 Ų51.726%0.26327%0.268SS..Hα-helixtrans-63.1-50.3176.5-178.8-98.9000112.4L17 Y21 S40 N41 S47 F48L17-Y44 HydrophobicContact CD1-CD2 4.25Å; L17-Y44 HydrophobicContact CD2-CD2 3.83Å; L17-Y44 HydrophobicContact CD2-CE2 3.88Å; L17-Y44 HydrophobicContact CG-CD2 3.68Å; L17-Y44 HydrophobicContact CG-CE2 3.94Å; Y21-Y44 HydrophobicContact CD2-CD2 4.25Å; Y21-Y44 HydrophobicContact CD2-CG 4.06Å; Y21-Y44 AromaticContact CG-CD2 3.94Å; Y21-Y44 HydrophobicContact CG-CD2 3.94Å; Y21-Y44 HydrophobicContact CG-CG 4.18Å; S40-Y44 PolarHBondContact O-N 3.21Å; N41-Y44 PolarHBondContact O-N 3.46Å; Y44-S47 PolarHBondContact O-N 3.04Å; Y44-F48 WeakPolarHBondContact O-CB 3.48Å; Y44-F48 PolarHBondContact O-N 3.01Å
45L93.8Very high89.8Confident96 Ų9643.4 Ų43.450%0.50323%0.233SC..Hα-helixtrans-64.4-43.6-178.9-71173.6000111.8N41 F48 I49N41-L45 WeakPolarHBondContact O-CB 3.29Å; N41-L45 VanDerWaalsContact O-CG 3.32Å; N41-L45 WeakPolarHBondContact O-CG 3.37Å; N41-L45 PolarHBondContact O-N 3.25Å; L45-F48 PolarHBondContact O-N 2.94Å; L45-I49 VanDerWaalsContact O-CG1 3.24Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 3.37Å
46S93.9Very high90.7Very high2 Ų243.3 Ų43.31%0.01422%0.22CC..Hα-helixtrans-62-44.5177.254.40000111.8L42 S43 F48 I49 E50 Y83L42-S46 VanDerWaalsContact O-CB 3.26Å; L42-S46 WeakPolarHBondContact O-CB 3.41Å; L42-S46 PolarHBondContact O-N 3.06Å; L42-S46 PolarHBondContact O-OG 3.31Å; S43-S46 WeakPolarHBondContact CA-OG 3.25Å; S43-S46 PolarHBondContact O-OG 3.46Å; S46-F48 PolarHBondContact O-N 3.47Å; S46-I49 PolarHBondContact O-N 3.49Å; S46-E50 VanDerWaalsContact O-CB 3.32Å; S46-E50 WeakPolarHBondContact O-CB 3.45Å; S46-E50 PolarHBondContact O-N 3.32Å; S46-Y83 WeakPolarHBondContact OG-CA 3.38Å
47S92.8Very high91.3Very high3 Ų342.2 Ų42.22%0.02122%0.216CC..Hα-helixtrans-66.3-37.3176.4-163.60000112.9S43 Y44 E50 I51S43-S47 WeakPolarHBondContact O-CB 3.32Å; S43-S47 PolarHBondContact O-N 3.23Å; Y44-S47 PolarHBondContact O-N 3.04Å; S47-E50 WeakPolarHBondContact O-CB 3.39Å; S47-E50 PolarHBondContact O-N 3.19Å; S47-I51 WeakPolarHBondContact O-CB 3.29Å; S47-I51 VanDerWaalsContact O-CG1 3.29Å; S47-I51 WeakPolarHBondContact O-CG1 3.24Å; S47-I51 PolarHBondContact O-N 3.5Å
48F93.6Very high91.8Very high92 Ų9240.1 Ų40.140%0.40421%0.206SC..Hα-helixtrans-62.4-47.1174.9-178.1-95.4000111.5L14 Y44 L45 S46 I51 F52L14-F48 HydrophobicContact CD2-CD2 3.96Å; L14-F48 HydrophobicContact CD2-CE2 4.5Å; Y44-F48 WeakPolarHBondContact O-CB 3.48Å; Y44-F48 PolarHBondContact O-N 3.01Å; L45-F48 PolarHBondContact O-N 2.94Å; S46-F48 PolarHBondContact O-N 3.47Å; F48-I51 PolarHBondContact O-N 2.89Å; F48-F52 WeakPolarHBondContact O-CB 3.41Å; F48-F52 PolarHBondContact O-N 2.92Å
49I95.2Very high92Very high57 Ų5740.6 Ų40.629%0.29220%0.202SC..Hα-helixtrans-67.3-37.4178.1-61.6163.9000111L45 S46 F52 S53 F79L45-I49 VanDerWaalsContact O-CG1 3.24Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 3.37Å; S46-I49 PolarHBondContact O-N 3.49Å; I49-F52 PolarHBondContact O-N 3.38Å; I49-S53 VanDerWaalsContact O-CB 3.27Å; I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 3.1Å; I49-S53 PolarHBondContact O-OG 2.93Å; I49-F79 HydrophobicContact CB-CD1 4.13Å; I49-F79 HydrophobicContact CB-CD2 4.06Å; I49-F79 HydrophobicContact CB-CE1 4.36Å; I49-F79 HydrophobicContact CB-CE2 4.32Å; I49-F79 HydrophobicContact CB-CG 3.98Å; I49-F79 HydrophobicContact CB-CZ 4.45Å; I49-F79 HydrophobicContact CD1-CD1 4.13Å; I49-F79 HydrophobicContact CD1-CE1 3.6Å; I49-F79 HydrophobicContact CD1-CE2 4.41Å; I49-F79 HydrophobicContact CD1-CZ 3.77Å; I49-F79 HydrophobicContact CG2-CB 4.49Å; I49-F79 HydrophobicContact CG2-CD1 4.22Å; I49-F79 HydrophobicContact CG2-CD2 3.3Å; I49-F79 HydrophobicContact CG2-CE1 4.29Å; I49-F79 HydrophobicContact CG2-CE2 3.42Å; I49-F79 VanDerWaalsContact CG2-CE2 3.42Å; I49-F79 HydrophobicContact CG2-CG 3.75Å; I49-F79 HydrophobicContact CG2-CZ 3.91Å
50E94.6Very high92.1Very high0 Ų039.8 Ų39.80%020%0.199CC..Hα-helixtrans-56.8-51.8172.7-178.8-158.3162.300110.6R13 S46 S47 F52 S53 L54 F76 F79 N154 H158R13-E50 IonicContact CZ-OE1 3.43Å; R13-E50 IonicContact NH1-OE1 2.81Å; R13-E50 IonicContact NH2-OE1 2.65Å; R13-E50 PolarHBondContact NH2-OE1 2.79Å; R13-E50 IonicContact NH2-OE2 3.78Å; R13-E50 PolarHBondContact NH2-OE2 3.32Å; S46-E50 VanDerWaalsContact O-CB 3.32Å; S46-E50 WeakPolarHBondContact O-CB 3.45Å; S46-E50 PolarHBondContact O-N 3.32Å; S47-E50 WeakPolarHBondContact O-CB 3.39Å; S47-E50 PolarHBondContact O-N 3.19Å; E50-F52 PolarHBondContact O-N 3.22Å; E50-S53 PolarHBondContact O-N 2.96Å; E50-L54 WeakPolarHBondContact O-CB 3.39Å; E50-L54 PolarHBondContact O-N 3.37Å; E50-F76 HydrophobicContact CG-CD2 3.57Å; E50-F76 HydrophobicContact CG-CE2 3.62Å; E50-F79 HydrophobicContact CB-CB 4.22Å; E50-N154 PolarHBondContact OE1-ND2 2.88Å; E50-H158 IonicContact OE1-CD2 3.33Å; E50-H158 IonicContact OE1-CE1 3.57Å; E50-H158 IonicContact OE1-NE2 3.89Å; E50-H158 PolarHBondContact OE1-NE2 3.27Å; E50-H158 IonicContact OE2-CE1 3.5Å; E50-H158 IonicContact OE2-NE2 2.94Å; E50-H158 PolarHBondContact OE2-NE2 3.41Å
51I93.6Very high92.1Very high5 Ų542.1 Ų42.13%0.02622%0.215CC..Hα-helixtrans-63.6-42.5-180-71.1166.7000111.2R13 L14 S47 F48 L54 N55R13-I51 HydrophobicContact CB-CD1 3.85Å; L14-I51 HydrophobicContact CD1-CG2 4.46Å; L14-I51 HydrophobicContact CD2-CD1 3.68Å; L14-I51 HydrophobicContact CD2-CG2 4.37Å; L14-I51 HydrophobicContact CG-CD1 3.98Å; L14-I51 HydrophobicContact CG-CG2 4.29Å; S47-I51 WeakPolarHBondContact O-CB 3.29Å; S47-I51 VanDerWaalsContact O-CG1 3.29Å; S47-I51 WeakPolarHBondContact O-CG1 3.24Å; S47-I51 PolarHBondContact O-N 3.5Å; F48-I51 PolarHBondContact O-N 2.89Å; I51-L54 PolarHBondContact O-N 3.32Å; I51-N55 PolarHBondContact O-N 3.4Å; I51-N55 PolarHBondContact O-ND2 3.09Å
52F94.2Very high91.8Very high102 Ų10242.3 Ų42.345%0.44722%0.221SC..Hα-helixtrans-62.2-45.7176.5-178.3-97000111.4F48 I49 E50 L54 N55 M56F48-F52 WeakPolarHBondContact O-CB 3.41Å; F48-F52 PolarHBondContact O-N 2.92Å; I49-F52 PolarHBondContact O-N 3.38Å; E50-F52 PolarHBondContact O-N 3.22Å; F52-L54 VanDerWaalsContact C-N 3.33Å; F52-L54 PolarHBondContact O-N 3.48Å; F52-N55 PolarHBondContact O-N 3.06Å; F52-M56 HydrophobicContact CD1-CG 4.15Å; F52-M56 HydrophobicContact CD2-CE 4.39Å; F52-M56 HydrophobicContact CE1-CE 4.38Å; F52-M56 HydrophobicContact CE1-CG 3.75Å; F52-M56 HydrophobicContact CE2-CE 3.58Å; F52-M56 HydrophobicContact CE2-CG 4.45Å; F52-M56 HydrophobicContact CZ-CE 3.58Å; F52-M56 HydrophobicContact CZ-CG 3.92Å; F52-M56 HydrophobicContact CZ-SD 4.32Å; F52-M56 WeakPolarHBondContact O-CG 3.31Å; F52-M56 PolarHBondContact O-N 3.23Å
53S93.8Very high91.4Very high4 Ų442.8 Ų42.83%0.02823%0.232CC..Hα-helixtrans-62.7-39.4178.3-56.70000111.6I49 E50 M56 L57I49-S53 VanDerWaalsContact O-CB 3.27Å; I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 3.1Å; I49-S53 PolarHBondContact O-OG 2.93Å; E50-S53 PolarHBondContact O-N 2.96Å; S53-M56 PolarHBondContact O-N 2.72Å; S53-L57 VanDerWaalsContact O-CB 3.26Å; S53-L57 WeakPolarHBondContact O-CB 3.45Å; S53-L57 PolarHBondContact O-N 2.94Å
54L93.3Very high91.2Very high36 Ų3648.3 Ų48.319%0.18826%0.26CS..Hα-helixtrans-62.3-43175-178.866.7000112.2I6 E50 I51 F52 L57 S58 F76I6-L54 HydrophobicContact CG2-CD2 4.43Å; I6-L54 HydrophobicContact CG2-CG 4.32Å; E50-L54 WeakPolarHBondContact O-CB 3.39Å; E50-L54 PolarHBondContact O-N 3.37Å; I51-L54 PolarHBondContact O-N 3.32Å; F52-L54 VanDerWaalsContact C-N 3.33Å; F52-L54 PolarHBondContact O-N 3.48Å; L54-L57 PolarHBondContact O-N 2.88Å; L54-S58 PolarHBondContact O-N 2.91Å; L54-S58 VanDerWaalsContact O-N 3.11Å; L54-S58 PolarHBondContact O-OG 2.88Å; L54-F76 HydrophobicContact CB-CD2 3.95Å; L54-F76 HydrophobicContact CB-CE2 4.16Å; L54-F76 HydrophobicContact CD1-CD2 4.35Å; L54-F76 HydrophobicContact CD1-CE2 4.09Å; L54-F76 HydrophobicContact CD1-CZ 4.38Å; L54-F76 HydrophobicContact CD2-CE2 4.48Å; L54-F76 HydrophobicContact CG-CE2 4.48Å
55N93.2Very high91.2Very high19 Ų1947.7 Ų47.710%0.10226%0.261CS..Hα-helixtrans-65.6-42.8176.6-79.2-71.5000111.4L7 S10 I51 F52 S58 I59L7-N55 WeakPolarHBondContact CD2-OD1 3.48Å; S10-N55 PolarHBondContact OG-ND2 3.06Å; I51-N55 PolarHBondContact O-N 3.4Å; I51-N55 PolarHBondContact O-ND2 3.09Å; F52-N55 PolarHBondContact O-N 3.06Å; N55-S58 WeakPolarHBondContact O-CB 3.32Å; N55-S58 PolarHBondContact O-N 3.01Å; N55-S58 VanDerWaalsContact O-N 3.13Å; N55-I59 WeakPolarHBondContact O-CG1 3.31Å; N55-I59 PolarHBondContact O-N 3.26Å
56M92.9Very high90.9Very high47 Ų4748.7 Ų48.723%0.23226%0.259CS..Hα-helixtrans-65.9-40.2176.7-69.2-61.5147.700112.6F52 S53 S58 I59 V60 Y72F52-M56 HydrophobicContact CD1-CG 4.15Å; F52-M56 HydrophobicContact CD2-CE 4.39Å; F52-M56 HydrophobicContact CE1-CE 4.38Å; F52-M56 HydrophobicContact CE1-CG 3.75Å; F52-M56 HydrophobicContact CE2-CE 3.58Å; F52-M56 HydrophobicContact CE2-CG 4.45Å; F52-M56 HydrophobicContact CZ-CE 3.58Å; F52-M56 HydrophobicContact CZ-CG 3.92Å; F52-M56 HydrophobicContact CZ-SD 4.32Å; F52-M56 WeakPolarHBondContact O-CG 3.31Å; F52-M56 PolarHBondContact O-N 3.23Å; S53-M56 PolarHBondContact O-N 2.72Å; M56-S58 PolarHBondContact O-N 2.81Å; M56-I59 HydrophobicContact CE-CD1 4.41Å; M56-I59 PolarHBondContact O-N 2.88Å; M56-I59 VanDerWaalsContact O-N 3.15Å; M56-I59 HydrophobicContact SD-CD1 4.43Å; M56-V60 PolarHBondContact O-N 3.26Å; M56-Y72 HydrophobicContact CB-CD1 3.56Å; M56-Y72 HydrophobicContact CB-CD2 3.87Å; M56-Y72 HydrophobicContact CB-CE1 3.54Å; M56-Y72 HydrophobicContact CB-CE2 3.85Å; M56-Y72 HydrophobicContact CB-CG 3.74Å; M56-Y72 HydrophobicContact CG-CD1 4.3Å; M56-Y72 HydrophobicContact CG-CE1 3.87Å
57L91.5Very high90.7Very high23 Ų2353.4 Ų53.412%0.1228%0.283CS..Hα-helixtrans-58.7-30.8172.7-171.269.6000112S53 L54 H69 F73S53-L57 VanDerWaalsContact O-CB 3.26Å; S53-L57 WeakPolarHBondContact O-CB 3.45Å; S53-L57 PolarHBondContact O-N 2.94Å; L54-L57 PolarHBondContact O-N 2.88Å; L57-H69 WeakPolarHBondContact CD1-CE1 3.48Å; L57-H69 WeakPolarHBondContact CD1-ND1 3.42Å; L57-H69 VanDerWaalsContact CD1-O 3.26Å; L57-H69 WeakPolarHBondContact CD1-O 3.32Å; L57-F73 HydrophobicContact CD1-CB 3.9Å; L57-F73 HydrophobicContact CD2-CB 4.49Å; L57-F73 HydrophobicContact CD2-CD2 4.1Å
58S90Very high90.7Very high9 Ų957.3 Ų57.36%0.06330%0.301CS..Hα-helixtrans-81.6-27.2178.9-54.70000113.7W2 I6 L54 N55 M56W2-S58 VanDerWaalsContact CH2-CB 3.45Å; W2-S58 VanDerWaalsContact CH2-OG 3.31Å; W2-S58 WeakPolarHBondContact CH2-OG 3.49Å; W2-S58 WeakPolarHBondContact CZ3-O 3.26Å; I6-S58 WeakPolarHBondContact CD1-OG 3.28Å; L54-S58 PolarHBondContact O-N 2.91Å; L54-S58 VanDerWaalsContact O-N 3.11Å; L54-S58 PolarHBondContact O-OG 2.88Å; N55-S58 WeakPolarHBondContact O-CB 3.32Å; N55-S58 PolarHBondContact O-N 3.01Å; N55-S58 VanDerWaalsContact O-N 3.13Å; M56-S58 PolarHBondContact O-N 2.81Å
59I90.2Very high90.6Very high94 Ų9455 Ų5548%0.48229%0.291SS..Hα-helixtrans-83.2-40.7177.9-66.8164.3000110.3I3 N55 M56 S61I3-I59 HydrophobicContact CG2-CG1 4.47Å; N55-I59 WeakPolarHBondContact O-CG1 3.31Å; N55-I59 PolarHBondContact O-N 3.26Å; M56-I59 HydrophobicContact CE-CD1 4.41Å; M56-I59 PolarHBondContact O-N 2.88Å; M56-I59 VanDerWaalsContact O-N 3.15Å; M56-I59 HydrophobicContact SD-CD1 4.43Å; I59-S61 PolarHBondContact O-N 3.31Å
60V89.1Confident90.4Very high22 Ų2257.5 Ų57.513%0.13330%0.297CS..SBendtrans-91.1104.7-177.2-178.30000109.9M56 N65 Q68 H69 Y72M56-V60 PolarHBondContact O-N 3.26Å; V60-N65 HydrophobicContact CG1-CB 4.12Å; V60-Q68 HydrophobicContact CG1-CB 4.03Å; V60-H69 HydrophobicContact CG1-CB 4.46Å; V60-H69 PolarHBondContact O-ND1 3Å; V60-Y72 HydrophobicContact CG2-CD2 4.47Å; V60-Y72 HydrophobicContact CG2-CE2 4Å
61S85.9Confident90.4Very high50 Ų5061.6 Ų61.635%0.3532%0.319SS..  trans-65.5144.3173-175.30000110.9I59 S63 D64 N65I59-S61 PolarHBondContact O-N 3.31Å; S61-S63 WeakPolarHBondContact CB-OG 3.46Å; S61-S63 PolarHBondContact O-N 3.34Å; S61-S63 PolarHBondContact OG-N 3Å; S61-S63 PolarHBondContact OG-OG 3.4Å; S61-D64 PolarHBondContact O-N 2.91Å; S61-D64 VanDerWaalsContact O-N 3.16Å; S61-N65 PolarHBondContact O-N 3.35Å
62S82.5Confident90.4Very high65 Ų6564.3 Ų64.346%0.45533%0.329SS..THydrogen-bonded Turntrans-62.8-24.9173.857.20000112.7Y66S62-Y66 PolarHBondContact O-N 3.27Å
63S84.9Confident90.3Very high93 Ų9361.4 Ų61.465%0.6532%0.316SS*.THydrogen-bonded Turntrans-67.5-33.3174.757.10000113.4S61S61-S63 WeakPolarHBondContact CB-OG 3.46Å; S61-S63 PolarHBondContact O-N 3.34Å; S61-S63 PolarHBondContact OG-N 3Å; S61-S63 PolarHBondContact OG-OG 3.4Å
64D86.1Confident90.3Very high129 Ų12964.2 Ų64.269%0.6934%0.335SS*.THydrogen-bonded Turntrans-91.7-44.4-168.8-57.4-10.5000110S61S61-D64 PolarHBondContact O-N 2.91Å; S61-D64 VanDerWaalsContact O-N 3.16Å
65N89.6Confident90.4Very high53 Ų5363.7 Ų63.728%0.28334%0.336SS..  trans-149.585.1178.1-162.9-32.4000111.6V60 S61 I67 Q68 H69V60-N65 HydrophobicContact CG1-CB 4.12Å; S61-N65 PolarHBondContact O-N 3.35Å; N65-I67 PolarHBondContact O-N 3.25Å; N65-I67 PolarHBondContact OD1-N 3.44Å; N65-Q68 HydrophobicContact CB-CB 4.13Å; N65-Q68 HydrophobicContact CB-CG 4.37Å; N65-Q68 WeakPolarHBondContact ND2-CG 3.49Å; N65-Q68 PolarHBondContact ND2-NE2 3.28Å; N65-Q68 PolarHBondContact ND2-OE1 2.97Å; N65-Q68 PolarHBondContact O-N 3.41Å; N65-Q68 PolarHBondContact OD1-N 3.21Å; N65-Q68 VanDerWaalsContact OD1-N 3.14Å; N65-H69 WeakPolarHBondContact O-CB 3.36Å; N65-H69 PolarHBondContact O-N 2.9Å
66Y87.3Confident90.6Very high118 Ų11863.2 Ų63.246%0.46333%0.333SS..Hα-helixtrans-52.5-40.1177.6175.2-100.4000113.3S62 H69 R70S62-Y66 PolarHBondContact O-N 3.27Å; Y66-H69 PolarHBondContact O-N 3.47Å; Y66-R70 VanDerWaalsContact O-CB 3.3Å; Y66-R70 WeakPolarHBondContact O-CB 3.47Å; Y66-R70 PolarHBondContact O-N 2.9Å
67I90.9Very high90.7Very high100 Ų10061.5 Ų61.551%0.51333%0.327SS..Hα-helixtrans-64.8-47.1-177.2-62.2170.3000110.5N65 N71N65-I67 PolarHBondContact O-N 3.25Å; N65-I67 PolarHBondContact OD1-N 3.44Å; I67-N71 PolarHBondContact O-N 3.41Å; I67-N71 VanDerWaalsContact O-N 3.08Å; I67-N71 PolarHBondContact O-ND2 3.15Å; I67-N71 PolarHBondContact O-OD1 3.42Å
68Q91.6Very high90.9Very high86 Ų8665.5 Ų65.540%0.40235%0.348SS..Hα-helixtrans-65.7-46.3177.7-73.5-179.8-0.100111.4V60 N65 R70 N71 Y72V60-Q68 HydrophobicContact CG1-CB 4.03Å; N65-Q68 HydrophobicContact CB-CB 4.13Å; N65-Q68 HydrophobicContact CB-CG 4.37Å; N65-Q68 WeakPolarHBondContact ND2-CG 3.49Å; N65-Q68 PolarHBondContact ND2-NE2 3.28Å; N65-Q68 PolarHBondContact ND2-OE1 2.97Å; N65-Q68 PolarHBondContact O-N 3.41Å; N65-Q68 PolarHBondContact OD1-N 3.21Å; N65-Q68 VanDerWaalsContact OD1-N 3.14Å; Q68-R70 VanDerWaalsContact C-N 3.34Å; Q68-R70 PolarHBondContact O-N 3.47Å; Q68-N71 PolarHBondContact O-N 2.91Å; Q68-N71 VanDerWaalsContact O-N 3.12Å; Q68-Y72 HydrophobicContact CB-CD2 4.44Å; Q68-Y72 HydrophobicContact CB-CE2 4.08Å; Q68-Y72 WeakPolarHBondContact O-CD2 3.27Å; Q68-Y72 PolarHBondContact O-N 3.47Å
69H92.5Very high91.2Very high42 Ų4268.4 Ų68.419%0.19436%0.359CS..Hα-helixtrans-55.5-47.7177.2-17490.1000111.7L57 V60 N65 Y66 N71 Y72 F73L57-H69 WeakPolarHBondContact CD1-CE1 3.48Å; L57-H69 WeakPolarHBondContact CD1-ND1 3.42Å; L57-H69 VanDerWaalsContact CD1-O 3.26Å; L57-H69 WeakPolarHBondContact CD1-O 3.32Å; V60-H69 HydrophobicContact CG1-CB 4.46Å; V60-H69 PolarHBondContact O-ND1 3Å; N65-H69 WeakPolarHBondContact O-CB 3.36Å; N65-H69 PolarHBondContact O-N 2.9Å; Y66-H69 PolarHBondContact O-N 3.47Å; H69-N71 VanDerWaalsContact C-N 3.35Å; H69-N71 PolarHBondContact O-N 3.19Å; H69-Y72 PolarHBondContact O-N 3.08Å; H69-F73 WeakPolarHBondContact O-CB 3.45Å; H69-F73 PolarHBondContact O-N 2.91Å
70R91.1Very high91.4Very high110 Ų11064 Ų6442%0.41534%0.336SS..Hα-helixtrans-60-42176.1-174.6-171.870.2-159.80.1112.5Y66 Q68 F73 C74Y66-R70 VanDerWaalsContact O-CB 3.3Å; Y66-R70 WeakPolarHBondContact O-CB 3.47Å; Y66-R70 PolarHBondContact O-N 2.9Å; Q68-R70 VanDerWaalsContact C-N 3.34Å; Q68-R70 PolarHBondContact O-N 3.47Å; R70-F73 PolarHBondContact O-N 2.91Å; R70-C74 WeakPolarHBondContact O-CB 3.48Å; R70-C74 PolarHBondContact O-N 3.48Å
71N93.4Very high91.8Very high86 Ų8664.2 Ų64.246%0.4634%0.338SS..Hα-helixtrans-66.8-41.8180-70.1-7.8000111.5I67 Q68 H69 C74 A75I67-N71 PolarHBondContact O-N 3.41Å; I67-N71 VanDerWaalsContact O-N 3.08Å; I67-N71 PolarHBondContact O-ND2 3.15Å; I67-N71 PolarHBondContact O-OD1 3.42Å; Q68-N71 PolarHBondContact O-N 2.91Å; Q68-N71 VanDerWaalsContact O-N 3.12Å; H69-N71 VanDerWaalsContact C-N 3.35Å; H69-N71 PolarHBondContact O-N 3.19Å; N71-C74 PolarHBondContact O-N 2.9Å; N71-A75 WeakPolarHBondContact O-CB 3.49Å; N71-A75 PolarHBondContact O-N 3.41Å
72Y94.6Very high92.2Very high63 Ų6364.3 Ų64.325%0.24734%0.336CS..Hα-helixtrans-65.8-38174.9-67.4-54.2000112.4M56 V60 Q68 H69 A75 F76M56-Y72 HydrophobicContact CB-CD1 3.56Å; M56-Y72 HydrophobicContact CB-CD2 3.87Å; M56-Y72 HydrophobicContact CB-CE1 3.54Å; M56-Y72 HydrophobicContact CB-CE2 3.85Å; M56-Y72 HydrophobicContact CB-CG 3.74Å; M56-Y72 HydrophobicContact CG-CD1 4.3Å; M56-Y72 HydrophobicContact CG-CE1 3.87Å; V60-Y72 HydrophobicContact CG2-CD2 4.47Å; V60-Y72 HydrophobicContact CG2-CE2 4Å; Q68-Y72 HydrophobicContact CB-CD2 4.44Å; Q68-Y72 HydrophobicContact CB-CE2 4.08Å; Q68-Y72 WeakPolarHBondContact O-CD2 3.27Å; Q68-Y72 PolarHBondContact O-N 3.47Å; H69-Y72 PolarHBondContact O-N 3.08Å; Y72-A75 PolarHBondContact O-N 3.29Å; Y72-F76 WeakPolarHBondContact O-CB 3.49Å; Y72-F76 PolarHBondContact O-N 3.08Å
73F93Very high92.8Very high40 Ų4061.6 Ų61.618%0.17532%0.316CS..Hα-helixtrans-62.1-47174.6-179.2-96.6000111.5L57 H69 R70 A75 F76 A77 L124 E147L57-F73 HydrophobicContact CD1-CB 3.9Å; L57-F73 HydrophobicContact CD2-CB 4.49Å; L57-F73 HydrophobicContact CD2-CD2 4.1Å; H69-F73 WeakPolarHBondContact O-CB 3.45Å; H69-F73 PolarHBondContact O-N 2.91Å; R70-F73 PolarHBondContact O-N 2.91Å; F73-A75 PolarHBondContact O-N 3.35Å; F73-F76 PolarHBondContact O-N 2.95Å; F73-A77 WeakPolarHBondContact O-CB 3.4Å; F73-A77 PolarHBondContact O-N 2.97Å; F73-L124 HydrophobicContact CE1-CD2 3.51Å; F73-L124 HydrophobicContact CZ-CD2 3.44Å; F73-L124 VanDerWaalsContact CZ-CD2 3.44Å; F73-E147 HydrophobicContact CE2-CG 3.83Å; F73-E147 WeakPolarHBondContact CE2-OE1 3.35Å; F73-E147 HydrophobicContact CZ-CG 4.1Å
74C93.5Very high93.3Very high63 Ų6357.2 Ų57.243%0.42629%0.285SS..Hα-helixtrans-61.7-44.8177.1-1720000111.5R70 N71 A77 L78R70-C74 WeakPolarHBondContact O-CB 3.48Å; R70-C74 PolarHBondContact O-N 3.48Å; N71-C74 PolarHBondContact O-N 2.9Å; C74-A77 PolarHBondContact O-N 2.87Å; C74-L78 WeakPolarHBondContact O-CB 3.48Å; C74-L78 VanDerWaalsContact O-CG 3.29Å; C74-L78 WeakPolarHBondContact O-CG 3.34Å; C74-L78 PolarHBondContact O-N 3.35Å
75A95.7Very high93.7Very high25 Ų2555.4 Ų55.421%0.20728%0.275CS..Hα-helixtrans-60.4-48.1175.400000111.5N71 Y72 F73 A77 L78 F79N71-A75 WeakPolarHBondContact O-CB 3.49Å; N71-A75 PolarHBondContact O-N 3.41Å; Y72-A75 PolarHBondContact O-N 3.29Å; F73-A75 PolarHBondContact O-N 3.35Å; A75-A77 PolarHBondContact O-N 3.25Å; A75-L78 PolarHBondContact O-N 2.71Å; A75-F79 HydrophobicContact CB-CD2 4.34Å; A75-F79 WeakPolarHBondContact O-CB 3.48Å; A75-F79 WeakPolarHBondContact O-CD2 3.19Å; A75-F79 PolarHBondContact O-N 2.84Å
76F95.7Very high93.9Very high9 Ų953.3 Ų53.34%0.03926%0.264CS..Hα-helixtrans-55-50175.6169.5-104.5000111.8E50 L54 Y72 F73 S80 N154E50-F76 HydrophobicContact CG-CD2 3.57Å; E50-F76 HydrophobicContact CG-CE2 3.62Å; L54-F76 HydrophobicContact CB-CD2 3.95Å; L54-F76 HydrophobicContact CB-CE2 4.16Å; L54-F76 HydrophobicContact CD1-CD2 4.35Å; L54-F76 HydrophobicContact CD1-CE2 4.09Å; L54-F76 HydrophobicContact CD1-CZ 4.38Å; L54-F76 HydrophobicContact CD2-CE2 4.48Å; L54-F76 HydrophobicContact CG-CE2 4.48Å; Y72-F76 WeakPolarHBondContact O-CB 3.49Å; Y72-F76 PolarHBondContact O-N 3.08Å; F73-F76 PolarHBondContact O-N 2.95Å; F76-S80 WeakPolarHBondContact O-CB 3.3Å; F76-S80 PolarHBondContact O-N 3.43Å; F76-S80 PolarHBondContact O-OG 2.93Å; F76-N154 HydrophobicContact CZ-CB 4.48Å
77A95.4Very high94.1Very high11 Ų1148.3 Ų48.39%0.09125%0.245CC..Hα-helixtrans-61.4-50.6179.400000111.8F73 C74 A75 S80 V81 L121F73-A77 WeakPolarHBondContact O-CB 3.4Å; F73-A77 PolarHBondContact O-N 2.97Å; C74-A77 PolarHBondContact O-N 2.87Å; A75-A77 PolarHBondContact O-N 3.25Å; A77-S80 PolarHBondContact O-N 3.03Å; A77-S80 PolarHBondContact O-OG 2.65Å; A77-V81 WeakPolarHBondContact O-CG2 3.4Å; A77-V81 PolarHBondContact O-N 3.43Å; A77-V81 VanDerWaalsContact O-N 3.14Å; A77-L121 HydrophobicContact CB-CD1 4.42Å; A77-L121 HydrophobicContact CB-CD2 3.98Å
78L96Very high94.2Very high107 Ų10744 Ų4456%0.5622%0.224SC*.Hα-helixtrans-60.5-50.8-179.4-72.5172.8000112.3C74 A75 S80 V81 V82C74-L78 WeakPolarHBondContact O-CB 3.48Å; C74-L78 VanDerWaalsContact O-CG 3.29Å; C74-L78 WeakPolarHBondContact O-CG 3.34Å; C74-L78 PolarHBondContact O-N 3.35Å; A75-L78 PolarHBondContact O-N 2.71Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 3.3Å; L78-V81 PolarHBondContact O-N 2.84Å; L78-V82 WeakPolarHBondContact O-CG2 3.29Å; L78-V82 PolarHBondContact O-N 3.41Å; L78-V82 VanDerWaalsContact O-N 3.1Å
79F96.4Very high94.2Very high71 Ų7144.1 Ų44.131%0.31122%0.221SC..Hα-helixtrans-70.8-29-177.7-76.1-71.5000112.6I49 E50 A75 V82 Y83I49-F79 HydrophobicContact CB-CD1 4.13Å; I49-F79 HydrophobicContact CB-CD2 4.06Å; I49-F79 HydrophobicContact CB-CE1 4.36Å; I49-F79 HydrophobicContact CB-CE2 4.32Å; I49-F79 HydrophobicContact CB-CG 3.98Å; I49-F79 HydrophobicContact CB-CZ 4.45Å; I49-F79 HydrophobicContact CD1-CD1 4.13Å; I49-F79 HydrophobicContact CD1-CE1 3.6Å; I49-F79 HydrophobicContact CD1-CE2 4.41Å; I49-F79 HydrophobicContact CD1-CZ 3.77Å; I49-F79 HydrophobicContact CG2-CB 4.49Å; I49-F79 HydrophobicContact CG2-CD1 4.22Å; I49-F79 HydrophobicContact CG2-CD2 3.3Å; I49-F79 HydrophobicContact CG2-CE1 4.29Å; I49-F79 HydrophobicContact CG2-CE2 3.42Å; I49-F79 VanDerWaalsContact CG2-CE2 3.42Å; I49-F79 HydrophobicContact CG2-CG 3.75Å; I49-F79 HydrophobicContact CG2-CZ 3.91Å; E50-F79 HydrophobicContact CB-CB 4.22Å; A75-F79 HydrophobicContact CB-CD2 4.34Å; A75-F79 WeakPolarHBondContact O-CB 3.48Å; A75-F79 WeakPolarHBondContact O-CD2 3.19Å; A75-F79 PolarHBondContact O-N 2.84Å; F79-V82 PolarHBondContact O-N 3.07Å; F79-Y83 WeakPolarHBondContact O-CB 3.27Å; F79-Y83 PolarHBondContact O-N 3.22Å
80S95.3Very high94Very high0 Ų042.8 Ų42.80%022%0.216CC..Hα-helixtrans-65.2-39.1171.575.80000112.3F76 A77 L78 Y83 M84 Y117F76-S80 WeakPolarHBondContact O-CB 3.3Å; F76-S80 PolarHBondContact O-N 3.43Å; F76-S80 PolarHBondContact O-OG 2.93Å; A77-S80 PolarHBondContact O-N 3.03Å; A77-S80 PolarHBondContact O-OG 2.65Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 3.3Å; S80-Y83 PolarHBondContact O-N 3.07Å; S80-M84 WeakPolarHBondContact O-CB 3.24Å; S80-M84 VanDerWaalsContact O-CG 3.25Å; S80-M84 WeakPolarHBondContact O-CG 3.44Å; S80-M84 PolarHBondContact O-N 3.12Å; S80-Y117 VanDerWaalsContact OG-CE1 3.23Å; S80-Y117 WeakPolarHBondContact OG-CE1 3.48Å; S80-Y117 PolarHBondContact OG-OH 3.5Å
81V95.8Very high93.8Very high27 Ų2738.2 Ų38.216%0.16420%0.199CC..Hα-helixtrans-65.2-46.9175.5172.20000110.7A77 L78 Y83 M84 I85 Y117 L118 L121A77-V81 WeakPolarHBondContact O-CG2 3.4Å; A77-V81 PolarHBondContact O-N 3.43Å; A77-V81 VanDerWaalsContact O-N 3.14Å; L78-V81 PolarHBondContact O-N 2.84Å; V81-Y83 VanDerWaalsContact C-N 3.29Å; V81-Y83 PolarHBondContact O-N 3.45Å; V81-M84 PolarHBondContact O-N 2.88Å; V81-I85 HydrophobicContact CG1-CD1 3.66Å; V81-I85 HydrophobicContact CG1-CG1 4.34Å; V81-I85 VanDerWaalsContact O-CG1 3.29Å; V81-I85 WeakPolarHBondContact O-CG1 3.32Å; V81-I85 PolarHBondContact O-N 3.33Å; V81-Y117 HydrophobicContact CG2-CD1 4.23Å; V81-Y117 HydrophobicContact CG2-CE1 3.85Å; V81-L118 HydrophobicContact CG1-CD2 3.85Å; V81-L118 HydrophobicContact CG2-CD2 3.79Å; V81-L121 HydrophobicContact CG2-CD1 3.57Å
82V95.8Very high93.6Very high52 Ų5237.7 Ų37.732%0.31519%0.194SC..Hα-helixtrans-58.9-43.4176.31760000110.7L42 L78 F79 T86L42-V82 HydrophobicContact CD1-CG1 4.26Å; L42-V82 HydrophobicContact CD2-CG1 4.34Å; L42-V82 HydrophobicContact CG-CG1 4.14Å; L78-V82 WeakPolarHBondContact O-CG2 3.29Å; L78-V82 PolarHBondContact O-N 3.41Å; L78-V82 VanDerWaalsContact O-N 3.1Å; F79-V82 PolarHBondContact O-N 3.07Å; V82-T86 HydrophobicContact CG1-CG2 4.45Å; V82-T86 WeakPolarHBondContact O-CB 3.38Å; V82-T86 VanDerWaalsContact O-CG2 3.31Å; V82-T86 WeakPolarHBondContact O-CG2 3.42Å; V82-T86 PolarHBondContact O-N 3.1Å; V82-T86 PolarHBondContact O-OG1 2.88Å
83Y94.5Very high93.2Very high8 Ų835.8 Ų35.83%0.03119%0.188CC..Hα-helixtrans-60.7-50.6175.2172-105.9000111.7L17 S46 F79 S80 V81 I85 T86 D87 Y157 H158L17-Y83 HydrophobicContact CD1-CE2 4.28Å; S46-Y83 WeakPolarHBondContact OG-CA 3.38Å; F79-Y83 WeakPolarHBondContact O-CB 3.27Å; F79-Y83 PolarHBondContact O-N 3.22Å; S80-Y83 PolarHBondContact O-N 3.07Å; V81-Y83 VanDerWaalsContact C-N 3.29Å; V81-Y83 PolarHBondContact O-N 3.45Å; Y83-I85 VanDerWaalsContact C-N 3.33Å; Y83-I85 PolarHBondContact O-N 2.92Å; Y83-T86 WeakPolarHBondContact CA-OG1 3.43Å; Y83-T86 PolarHBondContact O-N 3.45Å; Y83-T86 PolarHBondContact O-OG1 3.46Å; Y83-D87 HydrophobicContact CE1-CB 4.47Å; Y83-D87 HydrophobicContact CE2-CB 4.29Å; Y83-D87 VanDerWaalsContact O-CB 3.25Å; Y83-D87 WeakPolarHBondContact O-CB 3.49Å; Y83-D87 PolarHBondContact O-N 2.95Å; Y83-Y157 HydrophobicContact CD1-CE1 4.46Å; Y83-Y157 HydrophobicContact CE1-CD1 4.45Å; Y83-Y157 AromaticContact CE1-CE1 3.97Å; Y83-Y157 HydrophobicContact CE1-CE1 3.97Å; Y83-H158 AromaticContact CD1-CE1 3.59Å; Y83-H158 AromaticContact CE1-CE1 3.19Å; Y83-H158 WeakPolarHBondContact CE1-CE1 3.48Å; Y83-H158 AromaticContact CE1-ND1 3.72Å
84M94.9Very high92.6Very high1 Ų135.2 Ų35.21%0.00519%0.185CC..Hα-helixtrans-61.3-39.7-178.8-70.1-177.8-172.300112.7S80 V81 V88 M114 Y117 N154 Y157S80-M84 WeakPolarHBondContact O-CB 3.24Å; S80-M84 VanDerWaalsContact O-CG 3.25Å; S80-M84 WeakPolarHBondContact O-CG 3.44Å; S80-M84 PolarHBondContact O-N 3.12Å; V81-M84 PolarHBondContact O-N 2.88Å; M84-V88 WeakPolarHBondContact O-CB 3.19Å; M84-V88 VanDerWaalsContact O-CG2 3.26Å; M84-V88 WeakPolarHBondContact O-CG2 3.32Å; M84-V88 PolarHBondContact O-N 3.42Å; M84-M114 HydrophobicContact CB-CB 4.49Å; M84-M114 HydrophobicContact CB-CG 3.92Å; M84-M114 HydrophobicContact CB-SD 4.1Å; M84-M114 HydrophobicContact SD-CB 4.33Å; M84-M114 HydrophobicContact SD-CG 4.24Å; M84-Y117 HydrophobicContact CE-CD1 4.04Å; M84-Y117 HydrophobicContact CE-CD2 4.44Å; M84-Y117 HydrophobicContact CE-CE1 4.4Å; M84-Y117 HydrophobicContact CE-CG 4.07Å; M84-Y117 HydrophobicContact SD-CD1 3.92Å; M84-Y117 HydrophobicContact SD-CG 4.24Å; M84-N154 HydrophobicContact CE-CB 4.33Å; M84-Y157 WeakPolarHBondContact CA-OH 3.3Å; M84-Y157 HydrophobicContact CB-CE1 4.33Å; M84-Y157 HydrophobicContact CB-CE2 4.13Å; M84-Y157 HydrophobicContact CE-CD1 4.19Å; M84-Y157 HydrophobicContact CE-CD2 4.24Å; M84-Y157 HydrophobicContact CE-CG 3.88Å; M84-Y157 HydrophobicContact CG-CD1 3.97Å; M84-Y157 HydrophobicContact CG-CD2 4.11Å; M84-Y157 HydrophobicContact CG-CE1 3.69Å; M84-Y157 HydrophobicContact CG-CE2 3.82Å; M84-Y157 HydrophobicContact CG-CG 4.18Å; M84-Y157 PolarHBondContact O-OH 3.33Å; M84-Y157 VanDerWaalsContact O-OH 3.12Å; M84-Y157 HydrophobicContact SD-CD2 3.99Å; M84-Y157 HydrophobicContact SD-CE2 4.14Å; M84-Y157 HydrophobicContact SD-CG 4.2Å
85I95.1Very high92.3Very high91 Ų9133.9 Ų33.947%0.46717%0.174SC..Hα-helixtrans-65-48.8176.9-68.4168.6000110.3V81 Y83 Y89 M114V81-I85 HydrophobicContact CG1-CD1 3.66Å; V81-I85 HydrophobicContact CG1-CG1 4.34Å; V81-I85 VanDerWaalsContact O-CG1 3.29Å; V81-I85 WeakPolarHBondContact O-CG1 3.32Å; V81-I85 PolarHBondContact O-N 3.33Å; Y83-I85 VanDerWaalsContact C-N 3.33Å; Y83-I85 PolarHBondContact O-N 2.92Å; I85-Y89 WeakPolarHBondContact O-CB 3.25Å; I85-Y89 PolarHBondContact O-N 3.24Å; I85-M114 HydrophobicContact CG1-SD 4.08Å
86T92.6Very high91.7Very high10 Ų1040.7 Ų40.76%0.06120%0.198CC..Hα-helixtrans-66.3-39.8-179.754.30000111.9I39 L42 S43 V82 Y83 Y89 V90I39-T86 HydrophobicContact CG2-CG2 4.35Å; L42-T86 HydrophobicContact CD2-CG2 3.88Å; L42-T86 HydrophobicContact CG-CG2 4.11Å; S43-T86 WeakPolarHBondContact CA-OG1 3.49Å; S43-T86 VanDerWaalsContact CB-OG1 3.32Å; S43-T86 WeakPolarHBondContact CB-OG1 3.46Å; S43-T86 PolarHBondContact OG-OG1 2.87Å; V82-T86 HydrophobicContact CG1-CG2 4.45Å; V82-T86 WeakPolarHBondContact O-CB 3.38Å; V82-T86 VanDerWaalsContact O-CG2 3.31Å; V82-T86 WeakPolarHBondContact O-CG2 3.42Å; V82-T86 PolarHBondContact O-N 3.1Å; V82-T86 PolarHBondContact O-OG1 2.88Å; Y83-T86 WeakPolarHBondContact CA-OG1 3.43Å; Y83-T86 PolarHBondContact O-N 3.45Å; Y83-T86 PolarHBondContact O-OG1 3.46Å; T86-Y89 PolarHBondContact O-N 3.4Å; T86-V90 VanDerWaalsContact O-CG2 3.22Å; T86-V90 WeakPolarHBondContact O-CG2 3.2Å; T86-V90 PolarHBondContact O-N 3.38Å
87D92Very high90.9Very high12 Ų1243.9 Ų43.96%0.06422%0.218CC..Hα-helixtrans-64.5-45.9176.9178.571.4000112.1Y83 Y89 V90 L91 K110 Y157Y83-D87 HydrophobicContact CE1-CB 4.47Å; Y83-D87 HydrophobicContact CE2-CB 4.29Å; Y83-D87 VanDerWaalsContact O-CB 3.25Å; Y83-D87 WeakPolarHBondContact O-CB 3.49Å; Y83-D87 PolarHBondContact O-N 2.95Å; D87-Y89 VanDerWaalsContact C-N 3.3Å; D87-Y89 PolarHBondContact O-N 2.86Å; D87-V90 PolarHBondContact O-N 2.93Å; D87-L91 VanDerWaalsContact O-CB 3.31Å; D87-L91 WeakPolarHBondContact O-CB 3.41Å; D87-L91 PolarHBondContact O-N 3.04Å; D87-K110 IonicContact OD1-NZ 3.84Å; D87-K110 WeakPolarHBondContact OD2-CD 3.49Å; D87-K110 WeakPolarHBondContact OD2-CE 3.14Å; D87-K110 IonicContact OD2-NZ 3.8Å; D87-K110 PolarHBondContact OD2-NZ 3.41Å; D87-Y157 PolarHBondContact OD2-OH 3.33Å
88V92.8Very high89.9Confident10 Ų1047.2 Ų47.26%0.06123%0.234CC..Hα-helixtrans-59.7-42.4173.5167.10000111M84 L91 Q92 L107 K110 I111 M114M84-V88 WeakPolarHBondContact O-CB 3.19Å; M84-V88 VanDerWaalsContact O-CG2 3.26Å; M84-V88 WeakPolarHBondContact O-CG2 3.32Å; M84-V88 PolarHBondContact O-N 3.42Å; V88-L91 PolarHBondContact O-N 3.03Å; V88-Q92 WeakPolarHBondContact O-CG 3.37Å; V88-Q92 PolarHBondContact O-N 3.24Å; V88-L107 HydrophobicContact CG1-CD1 3.9Å; V88-K110 HydrophobicContact CG2-CB 4.19Å; V88-I111 HydrophobicContact CG1-CD1 4.35Å; V88-I111 HydrophobicContact CG1-CG1 3.87Å; V88-I111 HydrophobicContact CG2-CG1 4.41Å; V88-M114 HydrophobicContact CG2-SD 4.24Å
89Y91.2Very high88.9Confident89 Ų8951.3 Ų51.335%0.34925%0.25SS..Hα-helixtrans-65-45.3178.4178.7-90.9000112.5I39 I85 T86 D87 L91 Q92 L93I39-Y89 HydrophobicContact CD1-CD1 3.93Å; I39-Y89 HydrophobicContact CD1-CE1 3.26Å; I39-Y89 HydrophobicContact CG1-CE1 4.46Å; I39-Y89 HydrophobicContact CG2-CD1 3.82Å; I39-Y89 HydrophobicContact CG2-CE1 4.21Å; I85-Y89 WeakPolarHBondContact O-CB 3.25Å; I85-Y89 PolarHBondContact O-N 3.24Å; T86-Y89 PolarHBondContact O-N 3.4Å; D87-Y89 VanDerWaalsContact C-N 3.3Å; D87-Y89 PolarHBondContact O-N 2.86Å; Y89-L91 VanDerWaalsContact C-N 3.27Å; Y89-L91 PolarHBondContact O-N 2.96Å; Y89-Q92 WeakPolarHBondContact O-CB 3.45Å; Y89-Q92 PolarHBondContact O-N 3.39Å; Y89-L93 HydrophobicContact CD1-CD1 3.88Å; Y89-L93 HydrophobicContact CD1-CG 4.37Å; Y89-L93 HydrophobicContact CE1-CD1 3.27Å; Y89-L93 HydrophobicContact CE1-CG 3.96Å; Y89-L93 WeakPolarHBondContact O-CG 3.49Å; Y89-L93 PolarHBondContact O-N 3.46Å
90V88.6Confident88Confident13 Ų1351 Ų518%0.07925%0.252CS..Hα-helixtrans-60.5-40.3175.2171.60000110.6F28 I39 T86 D87 L93 R94F28-V90 HydrophobicContact CE2-CG1 4.35Å; F28-V90 HydrophobicContact CE2-CG2 4.08Å; F28-V90 HydrophobicContact CZ-CB 4.36Å; F28-V90 HydrophobicContact CZ-CG1 3.99Å; F28-V90 HydrophobicContact CZ-CG2 3.93Å; I39-V90 HydrophobicContact CG2-CG2 4.12Å; T86-V90 VanDerWaalsContact O-CG2 3.22Å; T86-V90 WeakPolarHBondContact O-CG2 3.2Å; T86-V90 PolarHBondContact O-N 3.38Å; D87-V90 PolarHBondContact O-N 2.93Å; V90-L93 PolarHBondContact O-N 3.36Å; V90-R94 PolarHBondContact O-N 3Å
91L87.8Confident87.4Confident14 Ų1454.5 Ų54.57%0.07328%0.281CS..Hα-helixtrans-66.3-39.8177.4-169.963.3000112.5D87 V88 Y89 R94 L95 L103 I106 L107 K110D87-L91 VanDerWaalsContact O-CB 3.31Å; D87-L91 WeakPolarHBondContact O-CB 3.41Å; D87-L91 PolarHBondContact O-N 3.04Å; V88-L91 PolarHBondContact O-N 3.03Å; Y89-L91 VanDerWaalsContact C-N 3.27Å; Y89-L91 PolarHBondContact O-N 2.96Å; L91-R94 PolarHBondContact O-N 2.96Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 PolarHBondContact O-N 3.41Å; L91-L103 HydrophobicContact CD1-CD1 3.34Å; L91-L103 HydrophobicContact CD1-CD2 3.99Å; L91-L103 HydrophobicContact CD1-CG 3.61Å; L91-L103 HydrophobicContact CG-CD1 4.49Å; L91-L103 HydrophobicContact CG-CG 4.37Å; L91-I106 HydrophobicContact CD2-CG2 4.11Å; L91-L107 HydrophobicContact CB-CD1 4.21Å; L91-L107 HydrophobicContact CD2-CB 3.8Å; L91-L107 HydrophobicContact CD2-CD1 3.84Å; L91-L107 HydrophobicContact CD2-CG 4.44Å; L91-L107 HydrophobicContact CG-CB 4.3Å; L91-L107 HydrophobicContact CG-CD1 4.11Å; L91-K110 HydrophobicContact CD2-CD 3.88Å
92Q88.9Confident86.8Confident76 Ų7658 Ų5836%0.35529%0.294SS..Hα-helixtrans-62.1-43.1173.3-76.7176.5-4.700111.9V88 Y89 L95 K96 L107V88-Q92 WeakPolarHBondContact O-CG 3.37Å; V88-Q92 PolarHBondContact O-N 3.24Å; Y89-Q92 WeakPolarHBondContact O-CB 3.45Å; Y89-Q92 PolarHBondContact O-N 3.39Å; Q92-L95 PolarHBondContact O-N 3.47Å; Q92-K96 WeakPolarHBondContact O-CG 3.29Å; Q92-K96 PolarHBondContact O-N 3.27Å; Q92-K96 VanDerWaalsContact O-N 3.11Å; Q92-L107 HydrophobicContact CG-CD1 3.82Å; Q92-L107 HydrophobicContact CG-CD2 3.74Å; Q92-L107 HydrophobicContact CG-CG 4.42Å
93L85.4Confident86.2Confident23 Ų2356.1 Ų56.112%0.1228%0.283CS..Hα-helixtrans-62.2-43.8175.5-71.4177.7000111.5F28 H36 Y89 V90 L95 K96 T97F28-L93 HydrophobicContact CE1-CB 4.4Å; F28-L93 HydrophobicContact CE1-CD1 3.69Å; F28-L93 HydrophobicContact CZ-CD1 3.97Å; H36-L93 VanDerWaalsContact CE1-CD1 3.49Å; H36-L93 WeakPolarHBondContact CE1-CD1 3.38Å; H36-L93 VanDerWaalsContact ND1-CD1 3.25Å; H36-L93 WeakPolarHBondContact ND1-CD1 3.26Å; Y89-L93 HydrophobicContact CD1-CD1 3.88Å; Y89-L93 HydrophobicContact CD1-CG 4.37Å; Y89-L93 HydrophobicContact CE1-CD1 3.27Å; Y89-L93 HydrophobicContact CE1-CG 3.96Å; Y89-L93 WeakPolarHBondContact O-CG 3.49Å; Y89-L93 PolarHBondContact O-N 3.46Å; V90-L93 PolarHBondContact O-N 3.36Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-L95 PolarHBondContact O-N 3.34Å; L93-K96 WeakPolarHBondContact O-CB 3.25Å; L93-K96 PolarHBondContact O-N 2.85Å; L93-T97 PolarHBondContact O-N 3.39Å; L93-T97 PolarHBondContact O-OG1 2.83Å
94R82.3Confident85.8Confident27 Ų2757.1 Ų57.110%0.10229%0.291CS..Hα-helixtrans-61-41.8175.5-177.2-179.5-68.4-88.5-13.8112N23 L27 V90 L91 K96 T97 I98 L103N23-R94 PolarHBondContact ND2-NH1 2.86Å; N23-R94 PolarHBondContact ND2-NH2 3Å; L27-R94 HydrophobicContact CD2-CB 4.11Å; L27-R94 HydrophobicContact CD2-CG 4.4Å; V90-R94 PolarHBondContact O-N 3Å; L91-R94 PolarHBondContact O-N 2.96Å; R94-K96 VanDerWaalsContact C-N 3.25Å; R94-K96 PolarHBondContact O-N 3.46Å; R94-T97 PolarHBondContact O-N 3.29Å; R94-I98 HydrophobicContact CG-CD1 4.35Å; R94-I98 PolarHBondContact O-N 3.07Å; R94-L103 HydrophobicContact CB-CD2 4.17Å; R94-L103 HydrophobicContact CG-CD2 3.75Å
95L85.5Confident85.4Confident36 Ų3661.4 Ų61.419%0.18831%0.313CS..Hα-helixtrans-64.4-30.7178.9-170.268.9000112.4L91 Q92 L93 T97 I98 N100 L103 L107L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 PolarHBondContact O-N 3.41Å; Q92-L95 PolarHBondContact O-N 3.47Å; L93-L95 VanDerWaalsContact C-N 3.32Å; L93-L95 PolarHBondContact O-N 3.34Å; L95-T97 VanDerWaalsContact C-N 3.29Å; L95-I98 CarbonylContact O-C 3.45Å; L95-N100 WeakPolarHBondContact CD1-O 3.5Å; L95-L103 HydrophobicContact CB-CD2 4.15Å; L95-L103 HydrophobicContact CD1-CB 3.88Å; L95-L103 HydrophobicContact CD1-CD2 4.06Å; L95-L103 HydrophobicContact CD1-CG 4.28Å; L95-L107 HydrophobicContact CD2-CD2 3.81Å
96K83.7Confident85.1Confident168 Ų16857.8 Ų57.873%0.7330%0.295SS*.Hα-helixtrans-68.6-27.6172.5-70.1177.9179.6-175.60113Q92 L93 R94Q92-K96 WeakPolarHBondContact O-CG 3.29Å; Q92-K96 PolarHBondContact O-N 3.27Å; Q92-K96 VanDerWaalsContact O-N 3.11Å; L93-K96 WeakPolarHBondContact O-CB 3.25Å; L93-K96 PolarHBondContact O-N 2.85Å; R94-K96 VanDerWaalsContact C-N 3.25Å; R94-K96 PolarHBondContact O-N 3.46Å
97T78.3Confident85Confident75 Ų7558.1 Ų58.146%0.4630%0.296SS..Hα-helixtrans-88.6-34.8178.1-500000112.2L93 R94 L95L93-T97 PolarHBondContact O-N 3.39Å; L93-T97 PolarHBondContact O-OG1 2.83Å; R94-T97 PolarHBondContact O-N 3.29Å; L95-T97 VanDerWaalsContact C-N 3.29Å
98I75.1Confident85.1Confident82 Ų8263 Ų6342%0.42131%0.314SS..SBendtrans-12897.4-175.3-52173.3000107.1R94 L95 N100R94-I98 HydrophobicContact CG-CD1 4.35Å; R94-I98 PolarHBondContact O-N 3.07Å; L95-I98 CarbonylContact O-C 3.45Å; I98-N100 VanDerWaalsContact C-N 3.27Å; I98-N100 HydrophobicContact CG2-CB 4.27Å; I98-N100 PolarHBondContact O-N 2.82Å
99E75Confident85Confident192 Ų19266.8 Ų66.890%0.89733%0.329SS*.  trans-68.384.1176.9-67.9-166.815600110.4
100N78.4Confident85.1Confident64 Ų6462.8 Ų62.834%0.34231%0.314SS..  trans-117.9117.7-179.4-169.7-22000110.9L95 I98 F102 L103 S104L95-N100 WeakPolarHBondContact CD1-O 3.5Å; I98-N100 VanDerWaalsContact C-N 3.27Å; I98-N100 HydrophobicContact CG2-CB 4.27Å; I98-N100 PolarHBondContact O-N 2.82Å; N100-F102 PolarHBondContact O-N 3.01Å; N100-F102 VanDerWaalsContact OD1-CB 3.29Å; N100-F102 WeakPolarHBondContact OD1-CB 3.42Å; N100-F102 PolarHBondContact OD1-N 2.96Å; N100-L103 HydrophobicContact CB-CB 4.12Å; N100-L103 PolarHBondContact O-N 3.49Å; N100-L103 VanDerWaalsContact O-N 3.09Å; N100-S104 PolarHBondContact O-N 2.83Å
101A82.7Confident85.4Confident75 Ų7565 Ų6562%0.6232%0.324SS*.Hα-helixtrans-57.2-34178.100000112.8S104 N105A101-S104 WeakPolarHBondContact O-CB 3.35Å; A101-S104 PolarHBondContact O-N 2.9Å; A101-N105 PolarHBondContact O-N 3.49Å; A101-N105 VanDerWaalsContact O-N 3.07Å
102F81.6Confident85.8Confident99 Ų9972.7 Ų72.743%0.43435%0.353SS..Hα-helixtrans-63.7-45.7176.2179.8-105.1000111.6N100 S104 N105 I106N100-F102 PolarHBondContact O-N 3.01Å; N100-F102 VanDerWaalsContact OD1-CB 3.29Å; N100-F102 WeakPolarHBondContact OD1-CB 3.42Å; N100-F102 PolarHBondContact OD1-N 2.96Å; F102-S104 VanDerWaalsContact C-N 3.32Å; F102-S104 PolarHBondContact O-N 3.03Å; F102-N105 WeakPolarHBondContact O-CB 3.31Å; F102-N105 PolarHBondContact O-N 2.83Å; F102-I106 HydrophobicContact CD1-CD1 3.74Å; F102-I106 HydrophobicContact CE1-CD1 3.25Å; F102-I106 HydrophobicContact CE1-CG1 4.38Å; F102-I106 HydrophobicContact CE2-CD1 4.37Å; F102-I106 HydrophobicContact CG-CD1 4.49Å; F102-I106 HydrophobicContact CZ-CD1 3.62Å; F102-I106 HydrophobicContact CZ-CG1 4.47Å; F102-I106 PolarHBondContact O-N 3.13Å
103L83.1Confident86.1Confident14 Ų1470.3 Ų70.37%0.07334%0.342CS..Hα-helixtrans-66.7-36.2179.4-161.473.6000111.4L91 R94 L95 N100 I106 L107L91-L103 HydrophobicContact CD1-CD1 3.34Å; L91-L103 HydrophobicContact CD1-CD2 3.99Å; L91-L103 HydrophobicContact CD1-CG 3.61Å; L91-L103 HydrophobicContact CG-CD1 4.49Å; L91-L103 HydrophobicContact CG-CG 4.37Å; R94-L103 HydrophobicContact CB-CD2 4.17Å; R94-L103 HydrophobicContact CG-CD2 3.75Å; L95-L103 HydrophobicContact CB-CD2 4.15Å; L95-L103 HydrophobicContact CD1-CB 3.88Å; L95-L103 HydrophobicContact CD1-CD2 4.06Å; L95-L103 HydrophobicContact CD1-CG 4.28Å; N100-L103 HydrophobicContact CB-CB 4.12Å; N100-L103 PolarHBondContact O-N 3.49Å; N100-L103 VanDerWaalsContact O-N 3.09Å; L103-I106 PolarHBondContact O-N 3.06Å; L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 PolarHBondContact O-N 3.07Å
104S86.6Confident86.5Confident29 Ų2970.7 Ų70.720%0.20334%0.344CS..Hα-helixtrans-61.5-41.6173.1-171.60000112.3N100 A101 F102 L107 R108N100-S104 PolarHBondContact O-N 2.83Å; A101-S104 WeakPolarHBondContact O-CB 3.35Å; A101-S104 PolarHBondContact O-N 2.9Å; F102-S104 VanDerWaalsContact C-N 3.32Å; F102-S104 PolarHBondContact O-N 3.03Å; S104-L107 PolarHBondContact O-N 2.77Å; S104-R108 WeakPolarHBondContact O-CG 3.14Å; S104-R108 PolarHBondContact O-N 2.9Å; S104-R108 PolarHBondContact OG-NH1 3.47Å
105N87.8Confident87.2Confident90 Ų9072.8 Ų72.848%0.48136%0.36SS..Hα-helixtrans-63.1-45.4174.2-81.9-32.9000112.2A101 F102 L107 R108 K109A101-N105 PolarHBondContact O-N 3.49Å; A101-N105 VanDerWaalsContact O-N 3.07Å; F102-N105 WeakPolarHBondContact O-CB 3.31Å; F102-N105 PolarHBondContact O-N 2.83Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 3.11Å; N105-R108 PolarHBondContact O-N 2.95Å; N105-R108 PolarHBondContact OD1-NH2 3.36Å; N105-K109 PolarHBondContact O-N 3.43Å
106I87.9Confident87.7Confident16 Ų1676.1 Ų76.18%0.08237%0.373CS..Hα-helixtrans-60.9-45.2176.6-69.4171.9000110.6L91 F102 L103 R108 K109 K110 T160 T164L91-I106 HydrophobicContact CD2-CG2 4.11Å; F102-I106 HydrophobicContact CD1-CD1 3.74Å; F102-I106 HydrophobicContact CE1-CD1 3.25Å; F102-I106 HydrophobicContact CE1-CG1 4.38Å; F102-I106 HydrophobicContact CE2-CD1 4.37Å; F102-I106 HydrophobicContact CG-CD1 4.49Å; F102-I106 HydrophobicContact CZ-CD1 3.62Å; F102-I106 HydrophobicContact CZ-CG1 4.47Å; F102-I106 PolarHBondContact O-N 3.13Å; L103-I106 PolarHBondContact O-N 3.06Å; I106-R108 PolarHBondContact O-N 3.23Å; I106-K109 WeakPolarHBondContact O-CB 3.39Å; I106-K109 PolarHBondContact O-N 2.91Å; I106-K109 VanDerWaalsContact O-N 3.15Å; I106-K110 HydrophobicContact CG2-CD 4.19Å; I106-K110 HydrophobicContact CG2-CG 4.33Å; I106-K110 PolarHBondContact O-N 2.81Å; I106-T160 HydrophobicContact CG2-CG2 4.17Å; I106-T164 HydrophobicContact CD1-CG2 4.38Å
107L90.9Very high88.3Confident16 Ų1668.3 Ų68.38%0.08434%0.339CS..Hα-helixtrans-58-47.9178.1177.465.4000111.5V88 L91 Q92 L95 L103 S104 N105 K109 K110 I111V88-L107 HydrophobicContact CG1-CD1 3.9Å; L91-L107 HydrophobicContact CB-CD1 4.21Å; L91-L107 HydrophobicContact CD2-CB 3.8Å; L91-L107 HydrophobicContact CD2-CD1 3.84Å; L91-L107 HydrophobicContact CD2-CG 4.44Å; L91-L107 HydrophobicContact CG-CB 4.3Å; L91-L107 HydrophobicContact CG-CD1 4.11Å; Q92-L107 HydrophobicContact CG-CD1 3.82Å; Q92-L107 HydrophobicContact CG-CD2 3.74Å; Q92-L107 HydrophobicContact CG-CG 4.42Å; L95-L107 HydrophobicContact CD2-CD2 3.81Å; L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 PolarHBondContact O-N 3.07Å; S104-L107 PolarHBondContact O-N 2.77Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 3.11Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 3.4Å; L107-K110 PolarHBondContact O-N 3.1Å; L107-I111 HydrophobicContact CD1-CD1 4.01Å; L107-I111 HydrophobicContact CD1-CG1 4.3Å; L107-I111 HydrophobicContact CG-CD1 3.95Å; L107-I111 WeakPolarHBondContact O-CG1 3.47Å; L107-I111 PolarHBondContact O-N 2.85Å
108R92.5Very high89.1Confident115 Ų11568 Ų6843%0.43433%0.334SS..Hα-helixtrans-58.5-42.3175.8-75.7-170-72.9-97.25.3112S104 N105 I106 R112S104-R108 WeakPolarHBondContact O-CG 3.14Å; S104-R108 PolarHBondContact O-N 2.9Å; S104-R108 PolarHBondContact OG-NH1 3.47Å; N105-R108 PolarHBondContact O-N 2.95Å; N105-R108 PolarHBondContact OD1-NH2 3.36Å; I106-R108 PolarHBondContact O-N 3.23Å; R108-R112 WeakPolarHBondContact O-CG 3.18Å; R108-R112 PolarHBondContact O-N 3.32Å; R108-R112 VanDerWaalsContact O-N 3.15Å
109K92.2Very high90.2Very high89 Ų8967.7 Ų67.739%0.38734%0.336SS..Hα-helixtrans-64.2-45.7177.3-172.1-179.4176.9-164.10111.4N105 I106 L107 I111 R112 L113 T160N105-K109 PolarHBondContact O-N 3.43Å; I106-K109 WeakPolarHBondContact O-CB 3.39Å; I106-K109 PolarHBondContact O-N 2.91Å; I106-K109 VanDerWaalsContact O-N 3.15Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 3.4Å; K109-I111 PolarHBondContact O-N 3.45Å; K109-R112 PolarHBondContact O-N 3.05Å; K109-L113 HydrophobicContact CG-CD1 4.05Å; K109-L113 WeakPolarHBondContact O-CG 3.29Å; K109-L113 PolarHBondContact O-N 2.91Å; K109-T160 HydrophobicContact CD-CG2 3.89Å; K109-T160 WeakPolarHBondContact CE-OG1 3.4Å; K109-T160 HydrophobicContact CG-CG2 4.39Å; K109-T160 PolarHBondContact NZ-OG1 3.08Å; K109-T160 VanDerWaalsContact NZ-OG1 3.17Å
110K93.7Very high91.1Very high5 Ų559 Ų592%0.02230%0.297CS..Hα-helixtrans-61.3-43177.5-77.8-172.5169-171.70112.4D87 V88 L91 I106 L107 L113 M114 Y157 T160 T161D87-K110 IonicContact OD1-NZ 3.84Å; D87-K110 WeakPolarHBondContact OD2-CD 3.49Å; D87-K110 WeakPolarHBondContact OD2-CE 3.14Å; D87-K110 IonicContact OD2-NZ 3.8Å; D87-K110 PolarHBondContact OD2-NZ 3.41Å; V88-K110 HydrophobicContact CG2-CB 4.19Å; L91-K110 HydrophobicContact CD2-CD 3.88Å; I106-K110 HydrophobicContact CG2-CD 4.19Å; I106-K110 HydrophobicContact CG2-CG 4.33Å; I106-K110 PolarHBondContact O-N 2.81Å; L107-K110 PolarHBondContact O-N 3.1Å; K110-L113 PolarHBondContact O-N 3.33Å; K110-M114 WeakPolarHBondContact O-CB 3.28Å; K110-M114 PolarHBondContact O-N 3.11Å; K110-Y157 HydrophobicContact CB-CE2 3.88Å; K110-Y157 HydrophobicContact CD-CE2 4.5Å; K110-Y157 HydrophobicContact CG-CE2 4.07Å; K110-T160 HydrophobicContact CG-CG2 4.13Å; K110-T161 WeakPolarHBondContact CE-OG1 3.15Å; K110-T161 PolarHBondContact NZ-OG1 3.13Å
111I94.8Very high91.9Very high59 Ų5957 Ų5730%0.30329%0.286SS..Hα-helixtrans-61-47.3176.3-68.4167.8000110.5V88 L107 K109 L113 M114 T115V88-I111 HydrophobicContact CG1-CD1 4.35Å; V88-I111 HydrophobicContact CG1-CG1 3.87Å; V88-I111 HydrophobicContact CG2-CG1 4.41Å; L107-I111 HydrophobicContact CD1-CD1 4.01Å; L107-I111 HydrophobicContact CD1-CG1 4.3Å; L107-I111 HydrophobicContact CG-CD1 3.95Å; L107-I111 WeakPolarHBondContact O-CG1 3.47Å; L107-I111 PolarHBondContact O-N 2.85Å; K109-I111 PolarHBondContact O-N 3.45Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 3.22Å; I111-M114 PolarHBondContact O-N 2.83Å; I111-T115 PolarHBondContact O-N 3.22Å; I111-T115 PolarHBondContact O-OG1 3.24Å
112R95.2Very high92.5Very high176 Ų17658.6 Ų58.666%0.66428%0.283SS*.Hα-helixtrans-59.9-43.4177.7-68.5179.5-148.5166.22.8112.4R108 K109 T115 F116R108-R112 WeakPolarHBondContact O-CG 3.18Å; R108-R112 PolarHBondContact O-N 3.32Å; R108-R112 VanDerWaalsContact O-N 3.15Å; K109-R112 PolarHBondContact O-N 3.05Å; R112-T115 PolarHBondContact O-N 3.23Å; R112-F116 WeakPolarHBondContact O-CB 3.46Å; R112-F116 PolarHBondContact O-N 2.92Å
113L94.6Very high93.1Very high27 Ų2756.5 Ų56.514%0.14128%0.278CS..Hα-helixtrans-65.9-42.3178.3-71.9167.9000111.9K109 K110 I111 F116 Y117 I156 Y157K109-L113 HydrophobicContact CG-CD1 4.05Å; K109-L113 WeakPolarHBondContact O-CG 3.29Å; K109-L113 PolarHBondContact O-N 2.91Å; K110-L113 PolarHBondContact O-N 3.33Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 3.22Å; L113-F116 PolarHBondContact O-N 3.46Å; L113-Y117 WeakPolarHBondContact O-CB 3.37Å; L113-Y117 PolarHBondContact O-N 2.94Å; L113-I156 HydrophobicContact CD1-CG2 3.84Å; L113-I156 HydrophobicContact CD2-CB 4.27Å; L113-I156 HydrophobicContact CD2-CG2 3.72Å; L113-I156 HydrophobicContact CG-CG2 4.46Å; L113-Y157 HydrophobicContact CB-CD2 3.94Å
114M95.3Very high93.6Very high30 Ų3056.6 Ų56.615%0.14828%0.279CS..Hα-helixtrans-61.7-46.6174.9-177.6-17476.200111.1M84 I85 V88 K110 I111 F116 Y117 L118 Y157M84-M114 HydrophobicContact CB-CB 4.49Å; M84-M114 HydrophobicContact CB-CG 3.92Å; M84-M114 HydrophobicContact CB-SD 4.1Å; M84-M114 HydrophobicContact SD-CB 4.33Å; M84-M114 HydrophobicContact SD-CG 4.24Å; I85-M114 HydrophobicContact CG1-SD 4.08Å; V88-M114 HydrophobicContact CG2-SD 4.24Å; K110-M114 WeakPolarHBondContact O-CB 3.28Å; K110-M114 PolarHBondContact O-N 3.11Å; I111-M114 PolarHBondContact O-N 2.83Å; M114-F116 PolarHBondContact O-N 3.17Å; M114-Y117 PolarHBondContact O-N 3.05Å; M114-L118 HydrophobicContact CG-CD1 4.26Å; M114-L118 WeakPolarHBondContact O-CG 3.42Å; M114-L118 PolarHBondContact O-N 3.15Å; M114-Y157 HydrophobicContact CB-CE2 4.24Å
115T96.1Very high93.9Very high72 Ų7260.8 Ų60.844%0.44230%0.298SS..Hα-helixtrans-60.4-45.2176.3-57.80000111.2I111 R112 Y117 L118 V119I111-T115 PolarHBondContact O-N 3.22Å; I111-T115 PolarHBondContact O-OG1 3.24Å; R112-T115 PolarHBondContact O-N 3.23Å; T115-Y117 PolarHBondContact O-N 3.25Å; T115-L118 PolarHBondContact O-N 3.38Å; T115-V119 WeakPolarHBondContact O-CG2 3.39Å; T115-V119 PolarHBondContact O-N 3.36Å
116F96.4Very high94.2Very high106 Ų10661 Ų6147%0.46530%0.298SS..Hα-helixtrans-60.8-45176.7179.3-100.8000111.7R112 L113 M114 L118 V119 C120 A153R112-F116 WeakPolarHBondContact O-CB 3.46Å; R112-F116 PolarHBondContact O-N 2.92Å; L113-F116 PolarHBondContact O-N 3.46Å; M114-F116 PolarHBondContact O-N 3.17Å; F116-L118 PolarHBondContact O-N 3.31Å; F116-V119 PolarHBondContact O-N 3.42Å; F116-C120 PolarHBondContact O-N 2.86Å; F116-C120 PolarHBondContact O-SG 2.66Å; F116-C120 VanDerWaalsContact O-SG 3.36Å; F116-A153 HydrophobicContact CD1-CB 3.6Å; F116-A153 HydrophobicContact CE1-CB 3.87Å
117Y96.1Very high94.3Very high3 Ų361.3 Ų61.31%0.01230%0.302CS..Hα-helixtrans-59.8-44.7176-177.1-103.1000112.3S80 V81 M84 L113 M114 T115 V119 C120 L121 A150 A153 N154S80-Y117 VanDerWaalsContact OG-CE1 3.23Å; S80-Y117 WeakPolarHBondContact OG-CE1 3.48Å; S80-Y117 PolarHBondContact OG-OH 3.5Å; V81-Y117 HydrophobicContact CG2-CD1 4.23Å; V81-Y117 HydrophobicContact CG2-CE1 3.85Å; M84-Y117 HydrophobicContact CE-CD1 4.04Å; M84-Y117 HydrophobicContact CE-CD2 4.44Å; M84-Y117 HydrophobicContact CE-CE1 4.4Å; M84-Y117 HydrophobicContact CE-CG 4.07Å; M84-Y117 HydrophobicContact SD-CD1 3.92Å; M84-Y117 HydrophobicContact SD-CG 4.24Å; L113-Y117 WeakPolarHBondContact O-CB 3.37Å; L113-Y117 PolarHBondContact O-N 2.94Å; M114-Y117 PolarHBondContact O-N 3.05Å; T115-Y117 PolarHBondContact O-N 3.25Å; Y117-V119 VanDerWaalsContact C-N 3.34Å; Y117-V119 PolarHBondContact O-N 2.85Å; Y117-C120 WeakPolarHBondContact O-CB 3.4Å; Y117-C120 PolarHBondContact O-N 3.26Å; Y117-L121 HydrophobicContact CD1-CD1 3.98Å; Y117-L121 HydrophobicContact CD1-CG 4.31Å; Y117-L121 HydrophobicContact CE1-CD1 3.41Å; Y117-L121 VanDerWaalsContact CE1-CD1 3.41Å; Y117-L121 HydrophobicContact CE1-CD2 4.41Å; Y117-L121 HydrophobicContact CE1-CG 3.9Å; Y117-L121 PolarHBondContact O-N 3.15Å; Y117-A150 HydrophobicContact CD2-CB 4.13Å; Y117-A150 VanDerWaalsContact CD2-O 3.26Å; Y117-A150 WeakPolarHBondContact CD2-O 3.47Å; Y117-A150 HydrophobicContact CE2-CB 3.87Å; Y117-A150 VanDerWaalsContact CE2-O 3.27Å; Y117-A150 WeakPolarHBondContact CE2-O 3.47Å; Y117-A153 HydrophobicContact CD2-CB 4.13Å; Y117-N154 HydrophobicContact CD2-CB 4.34Å; Y117-N154 HydrophobicContact CE2-CB 4.02Å
118L96.1Very high94.2Very high68 Ų6864.4 Ų64.436%0.35632%0.315SS..Hα-helixtrans-61.9-40.1175.9-73172000112.4V81 M114 T115 F116 L121 L122V81-L118 HydrophobicContact CG1-CD2 3.85Å; V81-L118 HydrophobicContact CG2-CD2 3.79Å; M114-L118 HydrophobicContact CG-CD1 4.26Å; M114-L118 WeakPolarHBondContact O-CG 3.42Å; M114-L118 PolarHBondContact O-N 3.15Å; T115-L118 PolarHBondContact O-N 3.38Å; F116-L118 PolarHBondContact O-N 3.31Å; L118-L121 PolarHBondContact O-N 3.05Å; L118-L122 PolarHBondContact O-N 3.45Å
119V96.4Very high94.1Very high77 Ų7766.5 Ų66.547%0.46732%0.323SS..Hα-helixtrans-63.1-44.7174.1171.70000110.4T115 F116 Y117 L121 L122 V123T115-V119 WeakPolarHBondContact O-CG2 3.39Å; T115-V119 PolarHBondContact O-N 3.36Å; F116-V119 PolarHBondContact O-N 3.42Å; Y117-V119 VanDerWaalsContact C-N 3.34Å; Y117-V119 PolarHBondContact O-N 2.85Å; V119-L121 VanDerWaalsContact C-N 3.33Å; V119-L121 PolarHBondContact O-N 3.39Å; V119-L122 PolarHBondContact O-N 3.49Å; V119-V123 HydrophobicContact CG1-CG2 4.4Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.44Å; V119-V123 PolarHBondContact O-N 2.92Å
120C95Very high94.1Very high10 Ų1065.7 Ų65.77%0.06832%0.322CS..Hα-helixtrans-59.2-43.1174.9-67.10000112F116 Y117 V123 L124 V146 A150F116-C120 PolarHBondContact O-N 2.86Å; F116-C120 PolarHBondContact O-SG 2.66Å; F116-C120 VanDerWaalsContact O-SG 3.36Å; Y117-C120 WeakPolarHBondContact O-CB 3.4Å; Y117-C120 PolarHBondContact O-N 3.26Å; C120-V123 PolarHBondContact O-N 3.5Å; C120-L124 WeakPolarHBondContact O-CB 3.48Å; C120-L124 PolarHBondContact O-N 2.9Å; C120-V146 HydrophobicContact CB-CG1 4.49Å; C120-V146 WeakPolarHBondContact O-CG1 3.36Å; C120-A150 HydrophobicContact CB-CB 3.84Å
121L95Very high93.8Very high22 Ų2267.9 Ų67.912%0.11533%0.332CS..Hα-helixtrans-63.1-41.6176.3-71.8-175.9000112.5A77 V81 Y117 L118 V119 L124 I125A77-L121 HydrophobicContact CB-CD1 4.42Å; A77-L121 HydrophobicContact CB-CD2 3.98Å; V81-L121 HydrophobicContact CG2-CD1 3.57Å; Y117-L121 HydrophobicContact CD1-CD1 3.98Å; Y117-L121 HydrophobicContact CD1-CG 4.31Å; Y117-L121 HydrophobicContact CE1-CD1 3.41Å; Y117-L121 VanDerWaalsContact CE1-CD1 3.41Å; Y117-L121 HydrophobicContact CE1-CD2 4.41Å; Y117-L121 HydrophobicContact CE1-CG 3.9Å; Y117-L121 PolarHBondContact O-N 3.15Å; L118-L121 PolarHBondContact O-N 3.05Å; V119-L121 VanDerWaalsContact C-N 3.33Å; V119-L121 PolarHBondContact O-N 3.39Å; L121-L124 WeakPolarHBondContact O-CB 3.08Å; L121-L124 PolarHBondContact O-N 3.42Å; L121-I125 VanDerWaalsContact O-CG1 3.32Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 3.14Å
122L95.5Very high93.4Very high108 Ų10870 Ų7057%0.56534%0.342SS*.Hα-helixtrans-60.7-48.5175.6-171.590.1000110.9L118 V119 L124 I125 L126L118-L122 PolarHBondContact O-N 3.45Å; V119-L122 PolarHBondContact O-N 3.49Å; L122-L124 VanDerWaalsContact C-N 3.28Å; L122-L124 PolarHBondContact O-N 3.36Å; L122-I125 PolarHBondContact O-N 2.76Å; L122-L126 HydrophobicContact CD2-CD1 4.46Å; L122-L126 HydrophobicContact CG-CD1 4.41Å; L122-L126 WeakPolarHBondContact O-CG 3.26Å; L122-L126 PolarHBondContact O-N 2.85Å
123V94.6Very high93.2Very high55 Ų5565.1 Ų65.133%0.33333%0.332SS..Hα-helixtrans-60.7-40177.1176.10000110.5V119 C120 I125 L126 C127 V146V119-V123 HydrophobicContact CG1-CG2 4.4Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.44Å; V119-V123 PolarHBondContact O-N 2.92Å; C120-V123 PolarHBondContact O-N 3.5Å; V123-I125 PolarHBondContact O-N 2.95Å; V123-L126 PolarHBondContact O-N 3.4Å; V123-C127 WeakPolarHBondContact O-CB 3.42Å; V123-C127 PolarHBondContact O-N 3.38Å; V123-C127 PolarHBondContact O-SG 2.88Å; V123-V146 HydrophobicContact CB-CG1 4.08Å; V123-V146 HydrophobicContact CG1-CG1 3.95Å; V123-V146 HydrophobicContact CG1-CG2 3.82Å
124L93.3Very high92.8Very high16 Ų1670.6 Ų70.68%0.08435%0.354CS..Hα-helixtrans-62.2-44.3177.7-166.277.8000111.9F73 C120 L121 L122 L126 C127 F128 L143 V146 E147F73-L124 HydrophobicContact CE1-CD2 3.51Å; F73-L124 HydrophobicContact CZ-CD2 3.44Å; F73-L124 VanDerWaalsContact CZ-CD2 3.44Å; C120-L124 WeakPolarHBondContact O-CB 3.48Å; C120-L124 PolarHBondContact O-N 2.9Å; L121-L124 WeakPolarHBondContact O-CB 3.08Å; L121-L124 PolarHBondContact O-N 3.42Å; L122-L124 VanDerWaalsContact C-N 3.28Å; L122-L124 PolarHBondContact O-N 3.36Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 PolarHBondContact O-N 2.92Å; L124-C127 PolarHBondContact O-N 3.24Å; L124-F128 VanDerWaalsContact O-CB 3.32Å; L124-F128 WeakPolarHBondContact O-CB 3.36Å; L124-F128 PolarHBondContact O-N 3.33Å; L124-L143 HydrophobicContact CD1-CD1 3.51Å; L124-L143 HydrophobicContact CD1-CG 4.03Å; L124-L143 WeakPolarHBondContact CD1-O 3.33Å; L124-L143 HydrophobicContact CG-CD1 4.01Å; L124-V146 HydrophobicContact CB-CG1 4.06Å; L124-V146 HydrophobicContact CD1-CB 4.18Å; L124-V146 HydrophobicContact CD1-CG1 4.09Å; L124-E147 HydrophobicContact CD1-CB 4.01Å
125I92.8Very high92.3Very high117 Ų11773.7 Ų73.760%0.638%0.378SS*.Hα-helixtrans-61.6-43.5175.8-67.5164000110.5L121 L122 V123 F128 W129L121-I125 VanDerWaalsContact O-CG1 3.32Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 3.14Å; L122-I125 PolarHBondContact O-N 2.76Å; V123-I125 PolarHBondContact O-N 2.95Å; I125-F128 PolarHBondContact O-N 3.5Å; I125-W129 WeakPolarHBondContact O-CB 3.49Å; I125-W129 PolarHBondContact O-N 3.3Å
126L92.8Very high91.9Very high93 Ų9372.5 Ų72.549%0.48737%0.372SS..Hα-helixtrans-63.9-46.5176.9-68.7172000111.8L122 V123 L124 F128 W129 I130L122-L126 HydrophobicContact CD2-CD1 4.46Å; L122-L126 HydrophobicContact CG-CD1 4.41Å; L122-L126 WeakPolarHBondContact O-CG 3.26Å; L122-L126 PolarHBondContact O-N 2.85Å; V123-L126 PolarHBondContact O-N 3.4Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 PolarHBondContact O-N 2.92Å; L126-F128 VanDerWaalsContact C-N 3.31Å; L126-F128 PolarHBondContact O-N 2.92Å; L126-W129 PolarHBondContact O-N 3.34Å; L126-I130 VanDerWaalsContact O-CG1 3.27Å; L126-I130 WeakPolarHBondContact O-CG1 3.43Å; L126-I130 PolarHBondContact O-N 3.15Å
127C91Very high91.2Very high24 Ų2472.5 Ų72.516%0.16238%0.382CS..Hα-helixtrans-61-40.8176-73.30000111.6V123 L124 I130 H131 L143V123-C127 WeakPolarHBondContact O-CB 3.42Å; V123-C127 PolarHBondContact O-N 3.38Å; V123-C127 PolarHBondContact O-SG 2.88Å; L124-C127 PolarHBondContact O-N 3.24Å; C127-I130 PolarHBondContact O-N 3.41Å; C127-H131 VanDerWaalsContact O-CB 3.26Å; C127-H131 WeakPolarHBondContact O-CB 3.2Å; C127-H131 PolarHBondContact O-N 3.03Å; C127-L143 HydrophobicContact CB-CD1 3.9Å
128F89Confident90.7Very high80 Ų8081.1 Ų81.135%0.35142%0.416SS..Hα-helixtrans-63.2-45.3175.6-178.1-99.9000111.4L124 I125 L126 H131 M132 L143L124-F128 VanDerWaalsContact O-CB 3.32Å; L124-F128 WeakPolarHBondContact O-CB 3.36Å; L124-F128 PolarHBondContact O-N 3.33Å; I125-F128 PolarHBondContact O-N 3.5Å; L126-F128 VanDerWaalsContact C-N 3.31Å; L126-F128 PolarHBondContact O-N 2.92Å; F128-H131 WeakPolarHBondContact O-CB 3.29Å; F128-H131 PolarHBondContact O-N 3.01Å; F128-M132 HydrophobicContact CD1-CG 4.24Å; F128-M132 HydrophobicContact CE1-CG 3.84Å; F128-M132 HydrophobicContact CE2-CE 4.05Å; F128-M132 HydrophobicContact CE2-CG 4.29Å; F128-M132 HydrophobicContact CE2-SD 4.36Å; F128-M132 HydrophobicContact CZ-CE 4.29Å; F128-M132 HydrophobicContact CZ-CG 3.86Å; F128-M132 HydrophobicContact CZ-SD 3.99Å; F128-M132 VanDerWaalsContact O-CG 3.29Å; F128-M132 WeakPolarHBondContact O-CG 3.39Å; F128-M132 PolarHBondContact O-N 3.28Å; F128-L143 HydrophobicContact CB-CD1 4.24Å
129W90.7Very high90.2Very high160 Ų16078.6 Ų78.661%0.60641%0.405SS*.Hα-helixtrans-62.9-43.3177.2-177.577.9000112.7I125 L126 M132 T133 F134I125-W129 WeakPolarHBondContact O-CB 3.49Å; I125-W129 PolarHBondContact O-N 3.3Å; L126-W129 PolarHBondContact O-N 3.34Å; W129-M132 PolarHBondContact O-N 3.37Å; W129-T133 WeakPolarHBondContact O-CB 3.41Å; W129-T133 PolarHBondContact O-N 2.92Å; W129-T133 PolarHBondContact O-OG1 3.31Å; W129-F134 HydrophobicContact CZ3-CE2 4.4Å
130I90.9Very high89.6Confident71 Ų7181.1 Ų81.136%0.36441%0.412SS..Hα-helixtrans-61.9-44174.5-68.4166000110.7L126 C127 M132 T133 F134 P136L126-I130 VanDerWaalsContact O-CG1 3.27Å; L126-I130 WeakPolarHBondContact O-CG1 3.43Å; L126-I130 PolarHBondContact O-N 3.15Å; C127-I130 PolarHBondContact O-N 3.41Å; I130-M132 VanDerWaalsContact C-N 3.34Å; I130-M132 PolarHBondContact O-N 3.22Å; I130-T133 PolarHBondContact O-N 3.43Å; I130-F134 HydrophobicContact CG2-CD2 4.23Å; I130-F134 PolarHBondContact O-N 3.31Å; I130-P136 HydrophobicContact CG2-CG 4.03Å
131H88.2Confident89.4Confident51 Ų5184.6 Ų84.624%0.23643%0.433CS..Hα-helixtrans-60.1-44.1178.1178.454.7000111.7C127 F128 T133 C135 A139C127-H131 VanDerWaalsContact O-CB 3.26Å; C127-H131 WeakPolarHBondContact O-CB 3.2Å; C127-H131 PolarHBondContact O-N 3.03Å; F128-H131 WeakPolarHBondContact O-CB 3.29Å; F128-H131 PolarHBondContact O-N 3.01Å; H131-T133 VanDerWaalsContact C-N 3.32Å; H131-T133 PolarHBondContact O-N 3.41Å; H131-C135 PolarHBondContact O-N 3.21Å; H131-A139 HydrophobicContact CB-CB 4.03Å; H131-A139 VanDerWaalsContact ND1-CB 3.3Å; H131-A139 WeakPolarHBondContact ND1-CB 3.23Å
132M86.6Confident89.2Confident105 Ų10587.1 Ų87.152%0.51745%0.449SS..Hα-helixtrans-67.7-29.1177.5-67.8-66.9105.100113.4F128 W129 I130F128-M132 HydrophobicContact CD1-CG 4.24Å; F128-M132 HydrophobicContact CE1-CG 3.84Å; F128-M132 HydrophobicContact CE2-CE 4.05Å; F128-M132 HydrophobicContact CE2-CG 4.29Å; F128-M132 HydrophobicContact CE2-SD 4.36Å; F128-M132 HydrophobicContact CZ-CE 4.29Å; F128-M132 HydrophobicContact CZ-CG 3.86Å; F128-M132 HydrophobicContact CZ-SD 3.99Å; F128-M132 VanDerWaalsContact O-CG 3.29Å; F128-M132 WeakPolarHBondContact O-CG 3.39Å; F128-M132 PolarHBondContact O-N 3.28Å; W129-M132 PolarHBondContact O-N 3.37Å; I130-M132 VanDerWaalsContact C-N 3.34Å; I130-M132 PolarHBondContact O-N 3.22Å
133T90.4Very high89Confident73 Ų7383.4 Ų83.445%0.44843%0.429SS..Hα-helixtrans-94.2-42.6-172.5-52.20000113.1W129 I130 H131W129-T133 WeakPolarHBondContact O-CB 3.41Å; W129-T133 PolarHBondContact O-N 2.92Å; W129-T133 PolarHBondContact O-OG1 3.31Å; I130-T133 PolarHBondContact O-N 3.43Å; H131-T133 VanDerWaalsContact C-N 3.32Å; H131-T133 PolarHBondContact O-N 3.41Å
134F87.5Confident88.8Confident141 Ų14182.3 Ų82.362%0.61842%0.424SS*.Hα-helixtrans-113.6-12.8-169.1-62.5-78.5000114.1W129 I130 P136W129-F134 HydrophobicContact CZ3-CE2 4.4Å; I130-F134 HydrophobicContact CG2-CD2 4.23Å; I130-F134 PolarHBondContact O-N 3.31Å; F134-P136 VanDerWaalsContact C-CD 3.41Å; F134-P136 VanDerWaalsContact C-N 3.29Å
135C84.3Confident88.8Confident95 Ų9584.2 Ų84.264%0.64244%0.442SS*.  trans41.747.9-174-68.70000114.3H131H131-C135 PolarHBondContact O-N 3.21Å
136P86.5Confident88.8Confident47 Ų4779.8 Ų79.831%0.30542%0.421SS..  trans-68.9151-176.226.9-27.9000110.4I130 F134 Y138 A139I130-P136 HydrophobicContact CG2-CG 4.03Å; F134-P136 VanDerWaalsContact C-CD 3.41Å; F134-P136 VanDerWaalsContact C-N 3.29Å; P136-Y138 PolarHBondContact O-N 2.88Å; P136-A139 HydrophobicContact CG-CB 3.98Å; P136-A139 WeakPolarHBondContact O-CB 3.45Å; P136-A139 PolarHBondContact O-N 3.17Å
137P83.5Confident88.8Confident107 Ų10777.9 Ų77.970%0.69541%0.409SS*.THydrogen-bonded Turntrans-56.3143.2171.326.6-34.2000109.5A139P137-A139 VanDerWaalsContact C-N 3.26Å; P137-A139 PolarHBondContact O-N 3.07Å
138Y85.4Confident88.9Confident183 Ų18383.7 Ų83.772%0.71843%0.429SS*.THydrogen-bonded Turntrans695-178.8-41.7-72.7000117.1P136 H140 T141 V142P136-Y138 PolarHBondContact O-N 2.88Å; Y138-H140 PolarHBondContact O-N 2.92Å; Y138-T141 WeakPolarHBondContact O-CB 3.32Å; Y138-T141 PolarHBondContact O-N 2.91Å; Y138-V142 PolarHBondContact O-N 3.15Å; Y138-V142 VanDerWaalsContact O-N 3.08Å
139A85.7Confident89.2Confident15 Ų1581.5 Ų81.512%0.12443%0.426CS..Hα-helixtrans-52.2-43.7177.100000112.9H131 P136 P137 T141 V142 L143H131-A139 HydrophobicContact CB-CB 4.03Å; H131-A139 VanDerWaalsContact ND1-CB 3.3Å; H131-A139 WeakPolarHBondContact ND1-CB 3.23Å; P136-A139 HydrophobicContact CG-CB 3.98Å; P136-A139 WeakPolarHBondContact O-CB 3.45Å; P136-A139 PolarHBondContact O-N 3.17Å; P137-A139 VanDerWaalsContact C-N 3.26Å; P137-A139 PolarHBondContact O-N 3.07Å; A139-T141 PolarHBondContact O-N 3.47Å; A139-V142 PolarHBondContact O-N 3.24Å; A139-L143 WeakPolarHBondContact O-CB 3.5Å; A139-L143 PolarHBondContact O-N 2.92Å
140H83Confident89.4Confident131 Ų13174.1 Ų74.161%0.60640%0.398SS*.Hα-helixtrans-65-38178.4-171.6-79.9000112.5Y138 L143 S144Y138-H140 PolarHBondContact O-N 2.92Å; H140-L143 PolarHBondContact O-N 3.47Å; H140-S144 WeakPolarHBondContact O-CB 3.33Å; H140-S144 PolarHBondContact O-N 2.93Å; H140-S144 PolarHBondContact O-OG 3.21Å
141T89.9Confident89.5Confident83 Ų8373.7 Ų73.751%0.50940%0.396SS..Hα-helixtrans-64-46.7177.6-52.20000110.8Y138 A139 S144 A145Y138-T141 WeakPolarHBondContact O-CB 3.32Å; Y138-T141 PolarHBondContact O-N 2.91Å; A139-T141 PolarHBondContact O-N 3.47Å; T141-S144 PolarHBondContact O-N 3.14Å; T141-S144 PolarHBondContact O-OG 2.98Å; T141-A145 WeakPolarHBondContact O-CB 3.34Å; T141-A145 PolarHBondContact O-N 3.41Å
142V90.9Very high89.7Confident74 Ų7477.4 Ų77.445%0.44841%0.412SS..Hα-helixtrans-63.9-44177.8178.70000110.8Y138 A139 S144 A145 V146Y138-V142 PolarHBondContact O-N 3.15Å; Y138-V142 VanDerWaalsContact O-N 3.08Å; A139-V142 PolarHBondContact O-N 3.24Å; V142-S144 VanDerWaalsContact C-N 3.35Å; V142-S144 PolarHBondContact O-N 3.34Å; V142-A145 PolarHBondContact O-N 3.33Å; V142-V146 HydrophobicContact CG1-CG2 4.48Å; V142-V146 WeakPolarHBondContact O-CG2 3.38Å; V142-V146 PolarHBondContact O-N 3.43Å
143L91.1Very high90.1Very high30 Ų3072.5 Ų72.516%0.15739%0.388CS..Hα-helixtrans-56.2-49.4176.2-171.875.1000111.1L124 C127 F128 A139 H140 A145 V146 E147L124-L143 HydrophobicContact CD1-CD1 3.51Å; L124-L143 HydrophobicContact CD1-CG 4.03Å; L124-L143 WeakPolarHBondContact CD1-O 3.33Å; L124-L143 HydrophobicContact CG-CD1 4.01Å; C127-L143 HydrophobicContact CB-CD1 3.9Å; F128-L143 HydrophobicContact CB-CD1 4.24Å; A139-L143 WeakPolarHBondContact O-CB 3.5Å; A139-L143 PolarHBondContact O-N 2.92Å; H140-L143 PolarHBondContact O-N 3.47Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 2.94Å; L143-V146 PolarHBondContact O-N 3.38Å; L143-E147 WeakPolarHBondContact O-CB 3.21Å; L143-E147 PolarHBondContact O-N 3.29Å
144S90.9Very high90.3Very high32 Ų3269.2 Ų69.222%0.22437%0.368CS..Hα-helixtrans-63.2-38.2178.770.10000112.6H140 T141 V142 E147 Y148H140-S144 WeakPolarHBondContact O-CB 3.33Å; H140-S144 PolarHBondContact O-N 2.93Å; H140-S144 PolarHBondContact O-OG 3.21Å; T141-S144 PolarHBondContact O-N 3.14Å; T141-S144 PolarHBondContact O-OG 2.98Å; V142-S144 VanDerWaalsContact C-N 3.35Å; V142-S144 PolarHBondContact O-N 3.34Å; S144-E147 PolarHBondContact O-N 3.24Å; S144-Y148 WeakPolarHBondContact O-CD2 3.24Å; S144-Y148 PolarHBondContact O-N 3.12Å
145A93.3Very high90.5Very high57 Ų5767 Ų6747%0.47136%0.361SS..Hα-helixtrans-65.4-41.7178.600000112.1T141 V142 L143 Y148 A149T141-A145 WeakPolarHBondContact O-CB 3.34Å; T141-A145 PolarHBondContact O-N 3.41Å; V142-A145 PolarHBondContact O-N 3.33Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 2.94Å; A145-Y148 PolarHBondContact O-N 3.38Å; A145-A149 PolarHBondContact O-N 3.42Å; A145-A149 VanDerWaalsContact O-N 3.08Å
146V93.9Very high90.9Very high24 Ų2466 Ų6615%0.14535%0.349CS..Hα-helixtrans-68.1-39.6176.2176.70000111C120 V123 L124 V142 L143 A149 A150C120-V146 HydrophobicContact CB-CG1 4.49Å; C120-V146 WeakPolarHBondContact O-CG1 3.36Å; V123-V146 HydrophobicContact CB-CG1 4.08Å; V123-V146 HydrophobicContact CG1-CG1 3.95Å; V123-V146 HydrophobicContact CG1-CG2 3.82Å; L124-V146 HydrophobicContact CB-CG1 4.06Å; L124-V146 HydrophobicContact CD1-CB 4.18Å; L124-V146 HydrophobicContact CD1-CG1 4.09Å; V142-V146 HydrophobicContact CG1-CG2 4.48Å; V142-V146 WeakPolarHBondContact O-CG2 3.38Å; V142-V146 PolarHBondContact O-N 3.43Å; L143-V146 PolarHBondContact O-N 3.38Å; V146-A149 WeakPolarHBondContact O-CB 3.43Å; V146-A149 PolarHBondContact O-N 3.21Å; V146-A150 PolarHBondContact O-N 2.96Å
147E92.4Very high91.2Very high53 Ų5363.7 Ų63.725%0.24833%0.334CS..Hα-helixtrans-59.9-47.6174.1-174.9-179-170.500111.4F73 L124 L143 S144 A149 A150 I151F73-E147 HydrophobicContact CE2-CG 3.83Å; F73-E147 WeakPolarHBondContact CE2-OE1 3.35Å; F73-E147 HydrophobicContact CZ-CG 4.1Å; L124-E147 HydrophobicContact CD1-CB 4.01Å; L143-E147 WeakPolarHBondContact O-CB 3.21Å; L143-E147 PolarHBondContact O-N 3.29Å; S144-E147 PolarHBondContact O-N 3.24Å; E147-A149 VanDerWaalsContact C-N 3.31Å; E147-A149 PolarHBondContact O-N 3.31Å; E147-A150 WeakPolarHBondContact O-CB 3.31Å; E147-A150 PolarHBondContact O-N 3.46Å; E147-A150 VanDerWaalsContact O-N 3.13Å; E147-I151 HydrophobicContact CG-CD1 4.08Å; E147-I151 WeakPolarHBondContact O-CG1 3.26Å; E147-I151 PolarHBondContact O-N 3.08Å
148Y93Very high91.5Very high146 Ų14659.4 Ų59.457%0.57331%0.305SS*.Hα-helixtrans-57.4-43.9174.5-81-62.5000111.9S144 A145 A150 I151 F152S144-Y148 WeakPolarHBondContact O-CD2 3.24Å; S144-Y148 PolarHBondContact O-N 3.12Å; A145-Y148 PolarHBondContact O-N 3.38Å; Y148-A150 VanDerWaalsContact C-N 3.32Å; Y148-A150 PolarHBondContact O-N 2.95Å; Y148-I151 PolarHBondContact O-N 2.9Å; Y148-F152 WeakPolarHBondContact O-CD2 3.34Å; Y148-F152 PolarHBondContact O-N 3.21Å
149A95.2Very high91.6Very high34 Ų3456.7 Ų56.728%0.28129%0.294SS..Hα-helixtrans-60.3-41.2176.700000112.3A145 V146 E147 F152 A153A145-A149 PolarHBondContact O-N 3.42Å; A145-A149 VanDerWaalsContact O-N 3.08Å; V146-A149 WeakPolarHBondContact O-CB 3.43Å; V146-A149 PolarHBondContact O-N 3.21Å; E147-A149 VanDerWaalsContact C-N 3.31Å; E147-A149 PolarHBondContact O-N 3.31Å; A149-F152 PolarHBondContact O-N 3.46Å; A149-A153 WeakPolarHBondContact O-CB 3.48Å; A149-A153 PolarHBondContact O-N 2.92Å
150A94.7Very high91.6Very high4 Ų456.2 Ų56.23%0.03329%0.29CS..Hα-helixtrans-64.2-42.6174.800000111.9Y117 C120 V146 E147 Y148 A153 N154Y117-A150 HydrophobicContact CD2-CB 4.13Å; Y117-A150 VanDerWaalsContact CD2-O 3.26Å; Y117-A150 WeakPolarHBondContact CD2-O 3.47Å; Y117-A150 HydrophobicContact CE2-CB 3.87Å; Y117-A150 VanDerWaalsContact CE2-O 3.27Å; Y117-A150 WeakPolarHBondContact CE2-O 3.47Å; C120-A150 HydrophobicContact CB-CB 3.84Å; V146-A150 PolarHBondContact O-N 2.96Å; E147-A150 WeakPolarHBondContact O-CB 3.31Å; E147-A150 PolarHBondContact O-N 3.46Å; E147-A150 VanDerWaalsContact O-N 3.13Å; Y148-A150 VanDerWaalsContact C-N 3.32Å; Y148-A150 PolarHBondContact O-N 2.95Å; A150-A153 PolarHBondContact O-N 2.94Å; A150-N154 PolarHBondContact O-N 3.47Å
151I92.8Very high91.6Very high63 Ų6350.3 Ų50.332%0.32326%0.263SS..Hα-helixtrans-61.1-47.9176.4-67.9166.1000110.5E147 Y148 A153 N154 I155E147-I151 HydrophobicContact CG-CD1 4.08Å; E147-I151 WeakPolarHBondContact O-CG1 3.26Å; E147-I151 PolarHBondContact O-N 3.08Å; Y148-I151 PolarHBondContact O-N 2.9Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 2.97Å; I151-N154 PolarHBondContact O-N 3.41Å; I151-I155 HydrophobicContact CG2-CD1 3.86Å; I151-I155 HydrophobicContact CG2-CG1 4.46Å; I151-I155 WeakPolarHBondContact O-CG1 3.27Å; I151-I155 PolarHBondContact O-N 2.92Å
152F93.5Very high91Very high128 Ų12848 Ų4856%0.56125%0.25SS*.Hα-helixtrans-60.5-42.1176.9-82.2-67.1000112Y148 A149 N154 I155 I156Y148-F152 WeakPolarHBondContact O-CD2 3.34Å; Y148-F152 PolarHBondContact O-N 3.21Å; A149-F152 PolarHBondContact O-N 3.46Å; F152-N154 PolarHBondContact O-N 3.3Å; F152-I155 PolarHBondContact O-N 3.47Å; F152-I156 VanDerWaalsContact O-CG1 3.24Å; F152-I156 WeakPolarHBondContact O-CG1 3.26Å; F152-I156 PolarHBondContact O-N 2.93Å
153A94.3Very high90.2Very high3 Ų346.2 Ų46.23%0.02524%0.238CC..Hα-helixtrans-60.9-42.8175.600000112.4F116 Y117 A149 A150 I151 I156 Y157F116-A153 HydrophobicContact CD1-CB 3.6Å; F116-A153 HydrophobicContact CE1-CB 3.87Å; Y117-A153 HydrophobicContact CD2-CB 4.13Å; A149-A153 WeakPolarHBondContact O-CB 3.48Å; A149-A153 PolarHBondContact O-N 2.92Å; A150-A153 PolarHBondContact O-N 2.94Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 2.97Å; A153-I156 PolarHBondContact O-N 3.46Å; A153-Y157 WeakPolarHBondContact O-CB 3.43Å; A153-Y157 PolarHBondContact O-N 2.95Å
154N93.9Very high89.2Confident4 Ų445.9 Ų45.92%0.02124%0.237CC..Hα-helixtrans-62.1-45.3175-179.6-73.7000111.3E50 F76 M84 Y117 A150 I151 F152 I156 Y157 H158E50-N154 PolarHBondContact OE1-ND2 2.88Å; F76-N154 HydrophobicContact CZ-CB 4.48Å; M84-N154 HydrophobicContact CE-CB 4.33Å; Y117-N154 HydrophobicContact CD2-CB 4.34Å; Y117-N154 HydrophobicContact CE2-CB 4.02Å; A150-N154 PolarHBondContact O-N 3.47Å; I151-N154 PolarHBondContact O-N 3.41Å; F152-N154 PolarHBondContact O-N 3.3Å; N154-I156 PolarHBondContact O-N 2.97Å; N154-Y157 WeakPolarHBondContact O-CB 3.36Å; N154-Y157 PolarHBondContact O-N 3.49Å; N154-H158 PolarHBondContact O-CD2 3.26Å; N154-H158 PolarHBondContact O-N 2.75Å; N154-H158 PolarHBondContact OD1-CD2 3.16Å
155I92Very high87.9Confident93 Ų9344.7 Ų44.748%0.47723%0.228SC..Hα-helixtrans-59-49176.2-67.8167.3000111.1I151 F152 Y157 H158 Y159I151-I155 HydrophobicContact CG2-CD1 3.86Å; I151-I155 HydrophobicContact CG2-CG1 4.46Å; I151-I155 WeakPolarHBondContact O-CG1 3.27Å; I151-I155 PolarHBondContact O-N 2.92Å; F152-I155 PolarHBondContact O-N 3.47Å; I155-Y157 VanDerWaalsContact C-N 3.27Å; I155-Y157 PolarHBondContact O-N 3.37Å; I155-H158 PolarHBondContact O-N 3.39Å; I155-Y159 WeakPolarHBondContact O-CB 3.46Å; I155-Y159 PolarHBondContact O-N 2.91Å
156I92.7Very high86.1Confident74 Ų7447.2 Ų47.238%0.37923%0.23SC..Hα-helixtrans-64.7-34.1-179.3-64.8165.5000111.2L113 F152 A153 N154 T160L113-I156 HydrophobicContact CD1-CG2 3.84Å; L113-I156 HydrophobicContact CD2-CB 4.27Å; L113-I156 HydrophobicContact CD2-CG2 3.72Å; L113-I156 HydrophobicContact CG-CG2 4.46Å; F152-I156 VanDerWaalsContact O-CG1 3.24Å; F152-I156 WeakPolarHBondContact O-CG1 3.26Å; F152-I156 PolarHBondContact O-N 2.93Å; A153-I156 PolarHBondContact O-N 3.46Å; N154-I156 PolarHBondContact O-N 2.97Å; I156-T160 WeakPolarHBondContact O-CB 3.38Å; I156-T160 PolarHBondContact O-N 3.21Å; I156-T160 PolarHBondContact O-OG1 3.26Å
157Y92.7Very high84.1Confident0 Ų049.9 Ų49.90%024%0.243CC..Hα-helixtrans-62.3-52.7174.6-172.3-80.8000111.4Y83 M84 D87 K110 L113 M114 A153 N154 I155 Y159 T160 T161Y83-Y157 HydrophobicContact CD1-CE1 4.46Å; Y83-Y157 HydrophobicContact CE1-CD1 4.45Å; Y83-Y157 AromaticContact CE1-CE1 3.97Å; Y83-Y157 HydrophobicContact CE1-CE1 3.97Å; M84-Y157 WeakPolarHBondContact CA-OH 3.3Å; M84-Y157 HydrophobicContact CB-CE1 4.33Å; M84-Y157 HydrophobicContact CB-CE2 4.13Å; M84-Y157 HydrophobicContact CE-CD1 4.19Å; M84-Y157 HydrophobicContact CE-CD2 4.24Å; M84-Y157 HydrophobicContact CE-CG 3.88Å; M84-Y157 HydrophobicContact CG-CD1 3.97Å; M84-Y157 HydrophobicContact CG-CD2 4.11Å; M84-Y157 HydrophobicContact CG-CE1 3.69Å; M84-Y157 HydrophobicContact CG-CE2 3.82Å; M84-Y157 HydrophobicContact CG-CG 4.18Å; M84-Y157 PolarHBondContact O-OH 3.33Å; M84-Y157 VanDerWaalsContact O-OH 3.12Å; M84-Y157 HydrophobicContact SD-CD2 3.99Å; M84-Y157 HydrophobicContact SD-CE2 4.14Å; M84-Y157 HydrophobicContact SD-CG 4.2Å; D87-Y157 PolarHBondContact OD2-OH 3.33Å; K110-Y157 HydrophobicContact CB-CE2 3.88Å; K110-Y157 HydrophobicContact CD-CE2 4.5Å; K110-Y157 HydrophobicContact CG-CE2 4.07Å; L113-Y157 HydrophobicContact CB-CD2 3.94Å; M114-Y157 HydrophobicContact CB-CE2 4.24Å; A153-Y157 WeakPolarHBondContact O-CB 3.43Å; A153-Y157 PolarHBondContact O-N 2.95Å; N154-Y157 WeakPolarHBondContact O-CB 3.36Å; N154-Y157 PolarHBondContact O-N 3.49Å; I155-Y157 VanDerWaalsContact C-N 3.27Å; I155-Y157 PolarHBondContact O-N 3.37Å; Y157-Y159 VanDerWaalsContact C-N 3.33Å; Y157-Y159 PolarHBondContact O-N 3.47Å; Y157-T160 WeakPolarHBondContact O-CB 3.34Å; Y157-T160 PolarHBondContact O-N 2.91Å; Y157-T160 VanDerWaalsContact O-N 3.15Å; Y157-T161 PolarHBondContact O-N 3.42Å; Y157-T161 VanDerWaalsContact O-N 3.11Å
158H90.4Very high82.5Confident16 Ų1648.2 Ų48.27%0.07424%0.236CC..Hα-helixtrans-66.7-33.8178.2-74.4-71.1000112.8R13 E50 Y83 N154 I155 T161 S162R13-H158 PolarHBondContact NH2-CD2 2.9Å; R13-H158 PolarHBondContact NH2-CE1 3.09Å; R13-H158 PolarHBondContact NH2-NE2 3.34Å; E50-H158 IonicContact OE1-CD2 3.33Å; E50-H158 IonicContact OE1-CE1 3.57Å; E50-H158 IonicContact OE1-NE2 3.89Å; E50-H158 PolarHBondContact OE1-NE2 3.27Å; E50-H158 IonicContact OE2-CE1 3.5Å; E50-H158 IonicContact OE2-NE2 2.94Å; E50-H158 PolarHBondContact OE2-NE2 3.41Å; Y83-H158 AromaticContact CD1-CE1 3.59Å; Y83-H158 AromaticContact CE1-CE1 3.19Å; Y83-H158 WeakPolarHBondContact CE1-CE1 3.48Å; Y83-H158 AromaticContact CE1-ND1 3.72Å; N154-H158 PolarHBondContact O-CD2 3.26Å; N154-H158 PolarHBondContact O-N 2.75Å; N154-H158 PolarHBondContact OD1-CD2 3.16Å; I155-H158 PolarHBondContact O-N 3.39Å; H158-T161 WeakPolarHBondContact O-CB 3.32Å; H158-T161 PolarHBondContact O-N 3.47Å; H158-S162 PolarHBondContact O-N 2.98Å; H158-S162 PolarHBondContact O-OG 3.23Å
159Y87.1Confident81Confident127 Ų12744.7 Ų44.750%0.49823%0.233SC..Hα-helixtrans-60.5-46.2170.7-176.4-101.3000110.6I155 Y157 T161 S162 N163 E166I155-Y159 WeakPolarHBondContact O-CB 3.46Å; I155-Y159 PolarHBondContact O-N 2.91Å; Y157-Y159 VanDerWaalsContact C-N 3.33Å; Y157-Y159 PolarHBondContact O-N 3.47Å; Y159-T161 VanDerWaalsContact C-N 3.25Å; Y159-T161 PolarHBondContact O-N 3.46Å; Y159-S162 CarbonylContact O-C 3.58Å; Y159-S162 WeakPolarHBondContact O-CA 3.12Å; Y159-S162 VanDerWaalsContact O-CB 3.3Å; Y159-S162 WeakPolarHBondContact O-CB 3.36Å; Y159-S162 PolarHBondContact O-N 2.99Å; Y159-N163 WeakPolarHBondContact CD1-OD1 3.49Å; Y159-N163 VanDerWaalsContact CE1-ND2 3.28Å; Y159-N163 WeakPolarHBondContact CE1-ND2 3.45Å; Y159-N163 WeakPolarHBondContact CE1-OD1 3.32Å; Y159-N163 WeakPolarHBondContact CE2-OD1 3.46Å; Y159-N163 PolarHBondContact O-N 3.46Å; Y159-N163 PolarHBondContact O-OD1 2.98Å; Y159-N163 PolarHBondContact OH-ND2 3.27Å; Y159-N163 PolarHBondContact OH-OD1 2.85Å; Y159-E166 PolarHBondContact OH-OE1 3.4Å
160T87.2Confident79.3Confident4 Ų447.4 Ų47.43%0.02524%0.241CC..Hα-helixtrans-59.8-33.9175.9-59.10000112.8I106 K109 K110 I156 Y157 T164I106-T160 HydrophobicContact CG2-CG2 4.17Å; K109-T160 HydrophobicContact CD-CG2 3.89Å; K109-T160 WeakPolarHBondContact CE-OG1 3.4Å; K109-T160 HydrophobicContact CG-CG2 4.39Å; K109-T160 PolarHBondContact NZ-OG1 3.08Å; K109-T160 VanDerWaalsContact NZ-OG1 3.17Å; K110-T160 HydrophobicContact CG-CG2 4.13Å; I156-T160 WeakPolarHBondContact O-CB 3.38Å; I156-T160 PolarHBondContact O-N 3.21Å; I156-T160 PolarHBondContact O-OG1 3.26Å; Y157-T160 WeakPolarHBondContact O-CB 3.34Å; Y157-T160 PolarHBondContact O-N 2.91Å; Y157-T160 VanDerWaalsContact O-N 3.15Å; T160-T164 PolarHBondContact O-OG1 3.37Å
161T82.5Confident77.7Confident7 Ų756.5 Ų56.54%0.04327%0.274CS..Hα-helixtrans-66-43.1170.7-62.10000111.6I16 K110 Y157 H158 Y159 N163 T164 F165I16-T161 HydrophobicContact CG2-CG2 4.44Å; K110-T161 WeakPolarHBondContact CE-OG1 3.15Å; K110-T161 PolarHBondContact NZ-OG1 3.13Å; Y157-T161 PolarHBondContact O-N 3.42Å; Y157-T161 VanDerWaalsContact O-N 3.11Å; H158-T161 WeakPolarHBondContact O-CB 3.32Å; H158-T161 PolarHBondContact O-N 3.47Å; Y159-T161 VanDerWaalsContact C-N 3.25Å; Y159-T161 PolarHBondContact O-N 3.46Å; T161-N163 VanDerWaalsContact C-N 3.31Å; T161-N163 PolarHBondContact O-N 3.5Å; T161-T164 VanDerWaalsContact O-CB 3.24Å; T161-T164 WeakPolarHBondContact O-CB 3.41Å; T161-T164 PolarHBondContact O-N 3.5Å; T161-T164 VanDerWaalsContact O-N 3.08Å; T161-T164 PolarHBondContact O-OG1 2.91Å; T161-F165 HydrophobicContact CG2-CE2 4.37Å; T161-F165 VanDerWaalsContact O-CD2 3.32Å; T161-F165 WeakPolarHBondContact O-CD2 3.32Å
162S77.5Confident76.4Confident35 Ų3558 Ų5825%0.24528%0.278CS..Hα-helixtrans-61.9-38.4177.8-52.60000111.9I16 H158 Y159 T164 F165I16-S162 WeakPolarHBondContact CD1-OG 3.42Å; H158-S162 PolarHBondContact O-N 2.98Å; H158-S162 PolarHBondContact O-OG 3.23Å; Y159-S162 CarbonylContact O-C 3.58Å; Y159-S162 WeakPolarHBondContact O-CA 3.12Å; Y159-S162 VanDerWaalsContact O-CB 3.3Å; Y159-S162 WeakPolarHBondContact O-CB 3.36Å; Y159-S162 PolarHBondContact O-N 2.99Å; S162-T164 PolarHBondContact O-N 3.36Å; S162-T164 VanDerWaalsContact O-N 3.15Å; S162-F165 WeakPolarHBondContact O-CA 3.44Å; S162-F165 WeakPolarHBondContact O-CB 3.34Å; S162-F165 PolarHBondContact O-N 2.93Å
163N73.9Confident75Confident37 Ų3752.4 Ų52.420%0.19825%0.254CS..G310 helixtrans-63.9-17.7175.8-69.939.5000113.9Y159 T161 F165 E166Y159-N163 WeakPolarHBondContact CD1-OD1 3.49Å; Y159-N163 VanDerWaalsContact CE1-ND2 3.28Å; Y159-N163 WeakPolarHBondContact CE1-ND2 3.45Å; Y159-N163 WeakPolarHBondContact CE1-OD1 3.32Å; Y159-N163 WeakPolarHBondContact CE2-OD1 3.46Å; Y159-N163 PolarHBondContact O-N 3.46Å; Y159-N163 PolarHBondContact O-OD1 2.98Å; Y159-N163 PolarHBondContact OH-ND2 3.27Å; Y159-N163 PolarHBondContact OH-OD1 2.85Å; T161-N163 VanDerWaalsContact C-N 3.31Å; T161-N163 PolarHBondContact O-N 3.5Å; N163-F165 PolarHBondContact O-N 3.27Å; N163-E166 HydrophobicContact CB-CG 4.33Å; N163-E166 VanDerWaalsContact CB-OE2 3.29Å; N163-E166 WeakPolarHBondContact CB-OE2 3.31Å; N163-E166 VanDerWaalsContact ND2-CD 3.26Å; N163-E166 PolarHBondContact ND2-OE1 3.37Å; N163-E166 PolarHBondContact ND2-OE2 2.94Å; N163-E166 PolarHBondContact O-N 2.85Å; N163-E166 PolarHBondContact OD1-OE1 3.39Å
164T69.9Low73.7Confident22 Ų2256.2 Ų56.214%0.13527%0.273CS..G310 helixtrans-68.7-17.9172.2-48.20000111.3I106 T160 T161 S162 F185I106-T164 HydrophobicContact CD1-CG2 4.38Å; T160-T164 PolarHBondContact O-OG1 3.37Å; T161-T164 VanDerWaalsContact O-CB 3.24Å; T161-T164 WeakPolarHBondContact O-CB 3.41Å; T161-T164 PolarHBondContact O-N 3.5Å; T161-T164 VanDerWaalsContact O-N 3.08Å; T161-T164 PolarHBondContact O-OG1 2.91Å; S162-T164 PolarHBondContact O-N 3.36Å; S162-T164 VanDerWaalsContact O-N 3.15Å; T164-F185 HydrophobicContact CG2-CD1 3.72Å; T164-F185 HydrophobicContact CG2-CE1 3.69Å
165F63Low72.5Confident7 Ų759.7 Ų59.73%0.03130%0.295CS..G310 helixtrans-110.76.2179.8-54.8-83.7000113.7I16 N19 T161 S162 N163 D167 I168 F185I16-F165 HydrophobicContact CG2-CD2 3.93Å; I16-F165 HydrophobicContact CG2-CE2 3.5Å; I16-F165 HydrophobicContact CG2-CZ 4.25Å; N19-F165 WeakPolarHBondContact ND2-CE1 3.48Å; T161-F165 HydrophobicContact CG2-CE2 4.37Å; T161-F165 VanDerWaalsContact O-CD2 3.32Å; T161-F165 WeakPolarHBondContact O-CD2 3.32Å; S162-F165 WeakPolarHBondContact O-CA 3.44Å; S162-F165 WeakPolarHBondContact O-CB 3.34Å; S162-F165 PolarHBondContact O-N 2.93Å; N163-F165 PolarHBondContact O-N 3.27Å; F165-D167 PolarHBondContact O-N 3.24Å; F165-I168 WeakPolarHBondContact O-CD1 3.48Å; F165-I168 PolarHBondContact O-N 3Å; F165-F185 HydrophobicContact CD1-CD2 4.4Å; F165-F185 HydrophobicContact CD1-CE2 4.35Å; F165-F185 HydrophobicContact CD1-CZ 4.46Å; F165-F185 HydrophobicContact CE1-CD1 4.15Å; F165-F185 AromaticContact CE1-CD2 3.51Å; F165-F185 HydrophobicContact CE1-CD2 3.51Å; F165-F185 AromaticContact CE1-CE1 3.77Å; F165-F185 HydrophobicContact CE1-CE1 3.77Å; F165-F185 AromaticContact CE1-CE2 3.15Å; F165-F185 HydrophobicContact CE1-CE2 3.15Å; F165-F185 HydrophobicContact CE1-CG 4.08Å; F165-F185 AromaticContact CE1-CZ 3.32Å; F165-F185 HydrophobicContact CE1-CZ 3.32Å; F165-F185 HydrophobicContact CE2-CE1 4.26Å; F165-F185 AromaticContact CE2-CZ 3.97Å; F165-F185 HydrophobicContact CE2-CZ 3.97Å; F165-F185 HydrophobicContact CZ-CD1 4.44Å; F165-F185 HydrophobicContact CZ-CD2 4.12Å; F165-F185 AromaticContact CZ-CE1 3.62Å; F165-F185 HydrophobicContact CZ-CE1 3.62Å; F165-F185 AromaticContact CZ-CE2 3.31Å; F165-F185 HydrophobicContact CZ-CE2 3.31Å; F165-F185 AromaticContact CZ-CZ 3.02Å; F165-F185 HydrophobicContact CZ-CZ 3.02Å
166E55.4Low71.3Confident110 Ų11058.6 Ų58.651%0.51429%0.285SS..THydrogen-bonded Turntrans-60.8-10.5-164-108.2172.5173.900115.9Y159 N163 I168Y159-E166 PolarHBondContact OH-OE1 3.4Å; N163-E166 HydrophobicContact CB-CG 4.33Å; N163-E166 VanDerWaalsContact CB-OE2 3.29Å; N163-E166 WeakPolarHBondContact CB-OE2 3.31Å; N163-E166 VanDerWaalsContact ND2-CD 3.26Å; N163-E166 PolarHBondContact ND2-OE1 3.37Å; N163-E166 PolarHBondContact ND2-OE2 2.94Å; N163-E166 PolarHBondContact O-N 2.85Å; N163-E166 PolarHBondContact OD1-OE1 3.39Å; E166-I168 VanDerWaalsContact C-N 3.27Å; E166-I168 PolarHBondContact O-N 2.94Å
167D53.2Low70Confident80 Ų8060.6 Ų60.643%0.42829%0.291SS..THydrogen-bonded Turntrans-76.8-10.3169.5-76.6-19.7000113.8F165 N187 M188F165-D167 PolarHBondContact O-N 3.24Å; D167-N187 PolarHBondContact OD2-OD1 3.42Å; D167-M188 PolarHBondContact OD2-N 3.42Å
168I58.1Low68.9Low18 Ų1865.5 Ų65.59%0.09232%0.324CS..SBendtrans-109.6100.7-178-55.6102.4000109.9F165 E166 M170 K172 I183F165-I168 WeakPolarHBondContact O-CD1 3.48Å; F165-I168 PolarHBondContact O-N 3Å; E166-I168 VanDerWaalsContact C-N 3.27Å; E166-I168 PolarHBondContact O-N 2.94Å; I168-M170 PolarHBondContact O-N 3.42Å; I168-K172 HydrophobicContact CG2-CB 3.39Å; I168-K172 HydrophobicContact CG2-CD 4.19Å; I168-K172 HydrophobicContact CG2-CG 4.43Å; I168-I183 HydrophobicContact CB-CD1 4.37Å; I168-I183 HydrophobicContact CB-CG2 4.41Å; I168-I183 HydrophobicContact CD1-CG2 3.3Å; I168-I183 HydrophobicContact CG1-CG2 3.56Å; I168-I183 HydrophobicContact CG2-CD1 3.75Å; I168-I183 HydrophobicContact CG2-CG1 4.27Å; I168-I183 HydrophobicContact CG2-CG2 4.48Å
169S60.9Low67.8Low73 Ų7368.7 Ų68.751%0.5135%0.345SS..  trans-45.3138.5168.8178.80000111R171 K172 M173S169-R171 CarbonylContact O-C 3.58Å; S169-R171 PolarHBondContact O-N 3.36Å; S169-K172 WeakPolarHBondContact O-CA 3.35Å; S169-K172 WeakPolarHBondContact O-CB 3.03Å; S169-K172 PolarHBondContact O-N 3.22Å; S169-M173 PolarHBondContact O-N 3.43Å; S169-M173 VanDerWaalsContact O-N 3.12Å
170M59Low66.7Low90 Ų9066 Ų6644%0.44336%0.356SS..Hα-helixtrans-46.4-34.3174.7-74.3-65.3-68.500112.5I168 M173 I174I168-M170 PolarHBondContact O-N 3.42Å; M170-M173 PolarHBondContact O-N 3.36Å; M170-M173 HydrophobicContact SD-CE 4.39Å; M170-M173 HydrophobicContact SD-SD 4.41Å; M170-I174 VanDerWaalsContact O-CG1 3.29Å; M170-I174 WeakPolarHBondContact O-CG1 3.38Å; M170-I174 PolarHBondContact O-N 2.95Å
171R61.3Low65.4Low195 Ų19574.6 Ų74.674%0.73639%0.388SS*.Hα-helixtrans-59.5-49173.9-176.1-177.4-71.2-107.31.5112S169 M173 I174 T175S169-R171 CarbonylContact O-C 3.58Å; S169-R171 PolarHBondContact O-N 3.36Å; R171-M173 VanDerWaalsContact C-N 3.31Å; R171-M173 PolarHBondContact O-N 2.93Å; R171-I174 PolarHBondContact O-N 3.34Å; R171-T175 PolarHBondContact O-N 2.96Å; R171-T175 PolarHBondContact O-OG1 3.44Å
172K65.7Low64.4Low94 Ų9476.6 Ų76.641%0.40940%0.401SS..Hα-helixtrans-60.2-43.7175.7-76.9-175.9-179.1177.50109.9I168 S169 I174 T175 Y176I168-K172 HydrophobicContact CG2-CB 3.39Å; I168-K172 HydrophobicContact CG2-CD 4.19Å; I168-K172 HydrophobicContact CG2-CG 4.43Å; S169-K172 WeakPolarHBondContact O-CA 3.35Å; S169-K172 WeakPolarHBondContact O-CB 3.03Å; S169-K172 PolarHBondContact O-N 3.22Å; K172-I174 VanDerWaalsContact C-N 3.34Å; K172-I174 PolarHBondContact O-N 2.97Å; K172-T175 CarbonylContact O-C 3.56Å; K172-T175 WeakPolarHBondContact O-CB 3.32Å; K172-T175 PolarHBondContact O-N 3.04Å; K172-T175 VanDerWaalsContact O-N 3.11Å; K172-Y176 HydrophobicContact CB-CD2 4.19Å; K172-Y176 HydrophobicContact CB-CE2 4.16Å; K172-Y176 WeakPolarHBondContact O-CB 3.44Å; K172-Y176 WeakPolarHBondContact O-CD2 3.5Å; K172-Y176 PolarHBondContact O-N 3.39Å
173M64.2Low63.5Low11 Ų1175.1 Ų75.15%0.05439%0.39CS..Hα-helixtrans-59.2-43.1177.6-170-175.1-59.800112.8L15 I16 S169 M170 R171 Y176 F177 I183L15-M173 HydrophobicContact CB-SD 3.91Å; I16-M173 HydrophobicContact CG1-CE 3.8Å; I16-M173 HydrophobicContact CG1-SD 3.9Å; S169-M173 PolarHBondContact O-N 3.43Å; S169-M173 VanDerWaalsContact O-N 3.12Å; M170-M173 PolarHBondContact O-N 3.36Å; M170-M173 HydrophobicContact SD-CE 4.39Å; M170-M173 HydrophobicContact SD-SD 4.41Å; R171-M173 VanDerWaalsContact C-N 3.31Å; R171-M173 PolarHBondContact O-N 2.93Å; M173-Y176 PolarHBondContact O-N 3.3Å; M173-F177 WeakPolarHBondContact O-CB 3.26Å; M173-F177 PolarHBondContact O-N 3.48Å; M173-I183 HydrophobicContact CB-CD1 3.94Å; M173-I183 HydrophobicContact CE-CD1 4.44Å; M173-I183 HydrophobicContact CG-CD1 3.78Å
174I67.1Low62.7Low84 Ų8477.2 Ų77.243%0.43141%0.406SS..Hα-helixtrans-63.3-44.3173.5-65.6163.6000110.4L15 M170 R171 K172 Y176 F177 C178L15-I174 HydrophobicContact CD1-CG1 4.36Å; M170-I174 VanDerWaalsContact O-CG1 3.29Å; M170-I174 WeakPolarHBondContact O-CG1 3.38Å; M170-I174 PolarHBondContact O-N 2.95Å; R171-I174 PolarHBondContact O-N 3.34Å; K172-I174 VanDerWaalsContact C-N 3.34Å; K172-I174 PolarHBondContact O-N 2.97Å; I174-Y176 PolarHBondContact O-N 2.87Å; I174-F177 WeakPolarHBondContact O-CB 3.38Å; I174-F177 PolarHBondContact O-N 3.43Å; I174-C178 PolarHBondContact O-N 2.8Å; I174-C178 PolarHBondContact O-SG 3.04Å
175T68.9Low61.9Low76 Ų7678.2 Ų78.247%0.46641%0.408SS..Hα-helixtrans-62-42.8176.7-53.30000112.1R171 K172 F177 C178 T179R171-T175 PolarHBondContact O-N 2.96Å; R171-T175 PolarHBondContact O-OG1 3.44Å; K172-T175 CarbonylContact O-C 3.56Å; K172-T175 WeakPolarHBondContact O-CB 3.32Å; K172-T175 PolarHBondContact O-N 3.04Å; K172-T175 VanDerWaalsContact O-N 3.11Å; T175-F177 VanDerWaalsContact C-N 3.34Å; T175-C178 PolarHBondContact O-N 3.26Å; T175-T179 HydrophobicContact CG2-CG2 4.35Å; T175-T179 WeakPolarHBondContact O-CB 3.39Å; T175-T179 VanDerWaalsContact O-CG2 3.28Å; T175-T179 WeakPolarHBondContact O-CG2 3.29Å; T175-T179 PolarHBondContact O-N 3.47Å; T175-T179 PolarHBondContact O-OG1 3.47Å
176Y66.5Low61.5Low70 Ų7081.2 Ų81.228%0.27543%0.427SS..Hα-helixtrans-60.4-44.4175.1-85.2-69.8000111K172 M173 I174 T179 G180 R181 I183K172-Y176 HydrophobicContact CB-CD2 4.19Å; K172-Y176 HydrophobicContact CB-CE2 4.16Å; K172-Y176 WeakPolarHBondContact O-CB 3.44Å; K172-Y176 WeakPolarHBondContact O-CD2 3.5Å; K172-Y176 PolarHBondContact O-N 3.39Å; M173-Y176 PolarHBondContact O-N 3.3Å; I174-Y176 PolarHBondContact O-N 2.87Å; Y176-T179 WeakPolarHBondContact CA-OG1 3.4Å; Y176-T179 CarbonylContact O-C 3.41Å; Y176-T179 PolarHBondContact O-N 3.23Å; Y176-T179 PolarHBondContact O-OG1 3.28Å; Y176-T179 VanDerWaalsContact O-OG1 3.1Å; Y176-G180 PolarHBondContact O-N 2.91Å; Y176-R181 CarbonylContact C-O 3.55Å; Y176-R181 WeakPolarHBondContact CB-O 3.27Å; Y176-R181 HydrophobicContact CD1-CB 3.73Å; Y176-R181 HydrophobicContact CE1-CB 4.29Å; Y176-R181 PolarHBondContact O-N 3.26Å; Y176-R181 VanDerWaalsContact O-O 3.09Å; Y176-I183 HydrophobicContact CD1-CG1 4.4Å; Y176-I183 HydrophobicContact CD2-CD1 4.26Å; Y176-I183 HydrophobicContact CD2-CG1 3.55Å; Y176-I183 HydrophobicContact CE2-CG1 4.15Å; Y176-I183 HydrophobicContact CG-CG1 3.74Å
177F66.6Low61Low116 Ų11678.8 Ų78.851%0.50942%0.418SS..Hα-helixtrans-61.1-48.4174.7-171.2-96.1000112.1L15 F18 M173 I174 T175 T179 G180L15-F177 HydrophobicContact CD2-CD2 4.12Å; L15-F177 HydrophobicContact CD2-CE2 4.4Å; L15-F177 HydrophobicContact CD2-CG 4.19Å; F18-F177 AromaticContact CD1-CD2 3.88Å; F18-F177 HydrophobicContact CD1-CD2 3.88Å; F18-F177 AromaticContact CD1-CE2 3.66Å; F18-F177 HydrophobicContact CD1-CE2 3.66Å; F18-F177 AromaticContact CE1-CD2 3.99Å; F18-F177 HydrophobicContact CE1-CD2 3.99Å; F18-F177 AromaticContact CE1-CE2 3.67Å; F18-F177 HydrophobicContact CE1-CE2 3.67Å; F18-F177 HydrophobicContact CG-CE2 4.35Å; F18-F177 HydrophobicContact CZ-CE2 4.39Å; M173-F177 WeakPolarHBondContact O-CB 3.26Å; M173-F177 PolarHBondContact O-N 3.48Å; I174-F177 WeakPolarHBondContact O-CB 3.38Å; I174-F177 PolarHBondContact O-N 3.43Å; T175-F177 VanDerWaalsContact C-N 3.34Å; F177-T179 VanDerWaalsContact C-N 3.26Å; F177-T179 PolarHBondContact O-N 3.36Å; F177-G180 PolarHBondContact O-N 2.79Å
178C69.5Low60.6Low103 Ų10380.4 Ų80.470%0.69642%0.424SS*.Hα-helixtrans-63.7-29.4176.8-680000113.3I174 T175I174-C178 PolarHBondContact O-N 2.8Å; I174-C178 PolarHBondContact O-SG 3.04Å; T175-C178 PolarHBondContact O-N 3.26Å
179T67.1Low59.9Low84 Ų8488.6 Ų88.652%0.51546%0.459SS..THydrogen-bonded Turntrans-91.2-0.5179540000113.4T175 Y176 F177 R181T175-T179 HydrophobicContact CG2-CG2 4.35Å; T175-T179 WeakPolarHBondContact O-CB 3.39Å; T175-T179 VanDerWaalsContact O-CG2 3.28Å; T175-T179 WeakPolarHBondContact O-CG2 3.29Å; T175-T179 PolarHBondContact O-N 3.47Å; T175-T179 PolarHBondContact O-OG1 3.47Å; Y176-T179 WeakPolarHBondContact CA-OG1 3.4Å; Y176-T179 CarbonylContact O-C 3.41Å; Y176-T179 PolarHBondContact O-N 3.23Å; Y176-T179 PolarHBondContact O-OG1 3.28Å; Y176-T179 VanDerWaalsContact O-OG1 3.1Å; F177-T179 VanDerWaalsContact C-N 3.26Å; F177-T179 PolarHBondContact O-N 3.36Å; T179-R181 PolarHBondContact O-N 2.95Å
180G62.8Low59Low71 Ų7188 Ų8873%0.73246%0.455SS*.THydrogen-bonded Turntrans68.613-179.200000114.7Y176 F177Y176-G180 PolarHBondContact O-N 2.91Å; F177-G180 PolarHBondContact O-N 2.79Å
181R60.8Low57.8Low183 Ų18392.7 Ų92.769%0.69148%0.475SS*.PPolyproline II helixtrans-98.6142.3179.8-72.1-173.8-168.2178.83.5110.6Y176 T179Y176-R181 CarbonylContact C-O 3.55Å; Y176-R181 WeakPolarHBondContact CB-O 3.27Å; Y176-R181 HydrophobicContact CD1-CB 3.73Å; Y176-R181 HydrophobicContact CE1-CB 4.29Å; Y176-R181 PolarHBondContact O-N 3.26Å; Y176-R181 VanDerWaalsContact O-O 3.09Å; T179-R181 PolarHBondContact O-N 2.95Å
182T60.5Low56.7Low50 Ų5090.3 Ų90.331%0.30747%0.473SS..PPolyproline II helixtrans-89.4147.817555.50000111.9I22 P184I22-T182 HydrophobicContact CB-CG2 3.73Å; I22-T182 HydrophobicContact CD1-CG2 3.61Å; I22-T182 HydrophobicContact CG1-CG2 4.27Å; I22-T182 HydrophobicContact CG2-CG2 3.3Å; T182-P184 WeakPolarHBondContact O-CD 3.49Å
183I59.7Low55.2Low4 Ų491.8 Ų91.82%0.02149%0.492CS..PPolyproline II helixtrans-81.3119175.2-57.8157.6000108.4N19 I168 M173 Y176 F185N19-I183 PolarHBondContact OD1-N 2.76Å; I168-I183 HydrophobicContact CB-CD1 4.37Å; I168-I183 HydrophobicContact CB-CG2 4.41Å; I168-I183 HydrophobicContact CD1-CG2 3.3Å; I168-I183 HydrophobicContact CG1-CG2 3.56Å; I168-I183 HydrophobicContact CG2-CD1 3.75Å; I168-I183 HydrophobicContact CG2-CG1 4.27Å; I168-I183 HydrophobicContact CG2-CG2 4.48Å; M173-I183 HydrophobicContact CB-CD1 3.94Å; M173-I183 HydrophobicContact CE-CD1 4.44Å; M173-I183 HydrophobicContact CG-CD1 3.78Å; Y176-I183 HydrophobicContact CD1-CG1 4.4Å; Y176-I183 HydrophobicContact CD2-CD1 4.26Å; Y176-I183 HydrophobicContact CD2-CG1 3.55Å; Y176-I183 HydrophobicContact CE2-CG1 4.15Å; Y176-I183 HydrophobicContact CG-CG1 3.74Å; I183-F185 PolarHBondContact O-N 3.32Å
184P57.1Low54.1Low81 Ų8198.1 Ų98.153%0.52653%0.525SS..PPolyproline II helixtrans-61.7135.2171.426-32.1000109.3T182 V186T182-P184 WeakPolarHBondContact O-CD 3.49Å; P184-V186 PolarHBondContact O-N 3.22Å
185F53.3Low52.8Low42 Ų42100 Ų10018%0.18454%0.535CS..SBendtrans-68.315.6-177.4-106.9-106.4000114.6N23 T164 F165 I183N23-F185 HydrophobicContact CB-CD2 3.85Å; N23-F185 HydrophobicContact CB-CE2 3.79Å; N23-F185 VanDerWaalsContact CG-CD2 3.42Å; N23-F185 WeakPolarHBondContact ND2-CD2 3.43Å; N23-F185 WeakPolarHBondContact ND2-CE2 3.3Å; N23-F185 VanDerWaalsContact ND2-CG 3.34Å; N23-F185 WeakPolarHBondContact ND2-CG 3.2Å; T164-F185 HydrophobicContact CG2-CD1 3.72Å; T164-F185 HydrophobicContact CG2-CE1 3.69Å; F165-F185 HydrophobicContact CD1-CD2 4.4Å; F165-F185 HydrophobicContact CD1-CE2 4.35Å; F165-F185 HydrophobicContact CD1-CZ 4.46Å; F165-F185 HydrophobicContact CE1-CD1 4.15Å; F165-F185 AromaticContact CE1-CD2 3.51Å; F165-F185 HydrophobicContact CE1-CD2 3.51Å; F165-F185 AromaticContact CE1-CE1 3.77Å; F165-F185 HydrophobicContact CE1-CE1 3.77Å; F165-F185 AromaticContact CE1-CE2 3.15Å; F165-F185 HydrophobicContact CE1-CE2 3.15Å; F165-F185 HydrophobicContact CE1-CG 4.08Å; F165-F185 AromaticContact CE1-CZ 3.32Å; F165-F185 HydrophobicContact CE1-CZ 3.32Å; F165-F185 HydrophobicContact CE2-CE1 4.26Å; F165-F185 AromaticContact CE2-CZ 3.97Å; F165-F185 HydrophobicContact CE2-CZ 3.97Å; F165-F185 HydrophobicContact CZ-CD1 4.44Å; F165-F185 HydrophobicContact CZ-CD2 4.12Å; F165-F185 AromaticContact CZ-CE1 3.62Å; F165-F185 HydrophobicContact CZ-CE1 3.62Å; F165-F185 AromaticContact CZ-CE2 3.31Å; F165-F185 HydrophobicContact CZ-CE2 3.31Å; F165-F185 AromaticContact CZ-CZ 3.02Å; F165-F185 HydrophobicContact CZ-CZ 3.02Å; I183-F185 PolarHBondContact O-N 3.32Å
186V53.4Low51.1Low71 Ų71105.8 Ų105.843%0.4356%0.557SS.*  trans-99.2118-169.7-175.30000109.3P184 M188P184-V186 PolarHBondContact O-N 3.22Å; V186-M188 PolarHBondContact O-N 3.02Å
187N46.2Very low49.8Very low59 Ų59107.9 Ų107.932%0.31658%0.577SS.*  trans-37.8120.5162.1-175.9-3.8000110.4D167 K189 S190D167-N187 PolarHBondContact OD2-OD1 3.42Å; N187-K189 PolarHBondContact O-N 3.49Å; N187-K189 WeakPolarHBondContact OD1-CB 3.34Å; N187-K189 PolarHBondContact OD1-N 3.26Å; N187-S190 PolarHBondContact O-N 3.08Å; N187-S190 VanDerWaalsContact O-N 3.1Å
188M44.9Very low48.2Very low113 Ų113115 Ų11556%0.55761%0.608SS**THydrogen-bonded Turntrans-67.5-2.7178.6-70.4-168.7-166.900112.3D167 V186D167-M188 PolarHBondContact OD2-N 3.42Å; V186-M188 PolarHBondContact O-N 3.02Å
189K43.1Very low47.1Very low191 Ų191115.7 Ų115.783%0.8360%0.604SS**THydrogen-bonded Turntrans-81.6-9169.7-78.2-177.9169.2177.20115.5N187N187-K189 PolarHBondContact O-N 3.49Å; N187-K189 WeakPolarHBondContact OD1-CB 3.34Å; N187-K189 PolarHBondContact OD1-N 3.26Å
190S41.8Very low46Very low60 Ų60117.3 Ų117.342%0.4261%0.608SS.*SBendtrans-126.595.3172.962.70000109.9N187 Q192N187-S190 PolarHBondContact O-N 3.08Å; N187-S190 VanDerWaalsContact O-N 3.1Å; S190-Q192 VanDerWaalsContact C-N 3.27Å; S190-Q192 PolarHBondContact O-N 3.27Å
191E34.6Very low45.1Very low188 Ų188119.9 Ų119.988%0.87960%0.601SS**  trans-62.284.2168.4-68.8-178.4153.100110.4
192Q36.8Very low44.2Very low145 Ų145116.2 Ų116.268%0.67860%0.596SS**  trans-141.9101.1154.5-76.9-163-3300109.2S190 L194S190-Q192 VanDerWaalsContact C-N 3.27Å; S190-Q192 PolarHBondContact O-N 3.27Å; Q192-L194 PolarHBondContact O-N 3.29Å
193P34.9Very low43.2Very low125 Ų125120.3 Ų120.381%0.81261%0.614SS**  trans-76.1104.9168.931-27.9000107.5
194L41.5Very low42.1Very low145 Ų145128.1 Ų128.176%0.75965%0.654SS**  trans-105.8124166.8-76.9170.6000108.5Q192Q192-L194 PolarHBondContact O-N 3.29Å
195L39.7Very low41Very low123 Ų123131.4 Ų131.464%0.64466%0.663SS**  trans97.254.6-179.8-50.5171.9000115.9V197L195-V197 VanDerWaalsContact C-N 3.25Å; L195-V197 HydrophobicContact CB-CG2 4.3Å; L195-V197 HydrophobicContact CD2-CG2 3.83Å; L195-V197 PolarHBondContact O-N 2.89Å
196E31.7Very low40.1Very low197 Ų197138.3 Ų138.392%0.92170%0.7SS**  -71.794.9124.9-75.1-167.516900106.8K198E196-K198 PolarHBondContact O-N 3.47Å
197V38.9Very low38.9Very low114 Ų114143.9 Ų143.969%0.69172%0.722SS**  trans-77117.8158.7179.90000105.4L195L195-V197 VanDerWaalsContact C-N 3.25Å; L195-V197 HydrophobicContact CB-CG2 4.3Å; L195-V197 HydrophobicContact CD2-CG2 3.83Å; L195-V197 PolarHBondContact O-N 2.89Å
198K33.2Very low38.3Very low267 Ų267151.6 Ų151.6100%1.16176%0.759SS**  trans-50.20173-168.6-179-175.9-177.20112.5E196E196-K198 PolarHBondContact O-N 3.47Å

Retrieved 198 of 198 residues in 668.2 ms (Link to these results)

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