A0A5K4EY29_SCHMA Loading...

Bestrophin homolog

Forms chloride channels.

AlphaFold DB , UniProt , Accession A0A5K4EY29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 570 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
1M47.4Very low67.7Low146 Ų14691.4 Ų91.472%0.71952%0.524SS*.  0110.80-72.2-71.6-173.600106.4K445M1-K445 WeakPolarHBondContact SD-CE 3.41Å; M1-K445 PolarHBondContact SD-NZ 2.77Å
2P57.5Low67.3Low56 Ų5685.3 Ų85.336%0.36450%0.497SS..  trans-50.6144.1165.6-20.628.7000108.1A4 Q442P2-A4 PolarHBondContact O-N 2.93Å; P2-Q442 VanDerWaalsContact CD-OE1 3.24Å; P2-Q442 HydrophobicContact CG-CG 3.36Å
3T59.2Low67.6Low38 Ų3896.5 Ų96.523%0.23353%0.526CS..  trans-70.3105175.3-54.50000107.5Y5 K24 K26T3-Y5 VanDerWaalsContact O-CD1 3.3Å; T3-Y5 WeakPolarHBondContact O-CD1 3.09Å; T3-Y5 PolarHBondContact O-N 2.97Å; T3-K24 HydrophobicContact CG2-CD 3.87Å; T3-K26 PolarHBondContact OG1-O 2.89Å
4A69.5Low68.2Low78 Ų7894.1 Ų94.165%0.64554%0.535SS*.  trans-69.1127.5168.300000108.5P2P2-A4 PolarHBondContact O-N 2.93Å
5Y73.9Confident68.8Low120 Ų12093.2 Ų93.247%0.47154%0.543SS..  trans-137.3-0177.264.5-93.2000112.5T3 E8 L9T3-Y5 VanDerWaalsContact O-CD1 3.3Å; T3-Y5 WeakPolarHBondContact O-CD1 3.09Å; T3-Y5 PolarHBondContact O-N 2.97Å; Y5-E8 PolarHBondContact O-N 3.4Å; Y5-L9 HydrophobicContact CD2-CD1 3.42Å; Y5-L9 VanDerWaalsContact CD2-CD1 3.42Å; Y5-L9 HydrophobicContact CD2-CG 3.96Å; Y5-L9 HydrophobicContact CE2-CD1 3.44Å; Y5-L9 VanDerWaalsContact CE2-CD1 3.44Å; Y5-L9 HydrophobicContact CE2-CG 4.42Å; Y5-L9 PolarHBondContact O-N 2.96Å
6A74.7Confident69.4Low66 Ų6691.4 Ų91.455%0.54554%0.537SS..Hα-helixtrans-62.9-42.2-179.600000112E8 L9 S10A6-E8 VanDerWaalsContact C-N 3.32Å; A6-E8 PolarHBondContact O-N 3.33Å; A6-L9 WeakPolarHBondContact O-CB 3.4Å; A6-L9 PolarHBondContact O-N 3.03Å; A6-S10 PolarHBondContact O-N 3.1Å
7D74.2Confident70Confident118 Ų11887.1 Ų87.163%0.63151%0.512SS*.Hα-helixtrans-63.4-40.7177.2-56.6-28.6000111L9 S10 D11D7-L9 VanDerWaalsContact C-N 3.34Å; D7-L9 PolarHBondContact O-N 3.3Å; D7-S10 WeakPolarHBondContact O-CB 3.45Å; D7-S10 PolarHBondContact O-N 2.89Å; D7-S10 VanDerWaalsContact O-N 3.15Å; D7-D11 WeakPolarHBondContact O-CB 3.33Å; D7-D11 PolarHBondContact O-N 3.5Å
8E70.2Confident70.5Confident65 Ų6588.1 Ų88.130%0.30451%0.514SS..Hα-helixtrans-68.4-31.9177.4-65.4178.4-155.100113.3Y5 A6 G12 K24Y5-E8 PolarHBondContact O-N 3.4Å; A6-E8 VanDerWaalsContact C-N 3.32Å; A6-E8 PolarHBondContact O-N 3.33Å; E8-G12 PolarHBondContact O-N 3.26Å; E8-K24 WeakPolarHBondContact OE1-CE 3.4Å; E8-K24 IonicContact OE1-NZ 3.6Å; E8-K24 PolarHBondContact OE1-NZ 3.02Å; E8-K24 WeakPolarHBondContact OE2-CE 3.3Å; E8-K24 IonicContact OE2-NZ 2.78Å; E8-K24 PolarHBondContact OE2-NZ 2.75Å; E8-K24 VanDerWaalsContact OE2-NZ 3.14Å
9L70.5Confident71Confident83 Ų8388.3 Ų88.344%0.43551%0.513SS..Hα-helixtrans-66.5-39171-85.1171.7000111.4Y5 A6 D7 V17 I21Y5-L9 HydrophobicContact CD2-CD1 3.42Å; Y5-L9 VanDerWaalsContact CD2-CD1 3.42Å; Y5-L9 HydrophobicContact CD2-CG 3.96Å; Y5-L9 HydrophobicContact CE2-CD1 3.44Å; Y5-L9 VanDerWaalsContact CE2-CD1 3.44Å; Y5-L9 HydrophobicContact CE2-CG 4.42Å; Y5-L9 PolarHBondContact O-N 2.96Å; A6-L9 WeakPolarHBondContact O-CB 3.4Å; A6-L9 PolarHBondContact O-N 3.03Å; D7-L9 VanDerWaalsContact C-N 3.34Å; D7-L9 PolarHBondContact O-N 3.3Å; L9-V17 HydrophobicContact CD2-CG1 3.78Å; L9-I21 HydrophobicContact CD2-CD1 3.34Å; L9-I21 HydrophobicContact CG-CD1 3.82Å
10S75.9Confident71.5Confident101 Ų10189.5 Ų89.571%0.70651%0.511SS*.Hα-helixtrans-72.1-41.1179.3-173.20000112.1A6 D7A6-S10 PolarHBondContact O-N 3.1Å; D7-S10 WeakPolarHBondContact O-CB 3.45Å; D7-S10 PolarHBondContact O-N 2.89Å; D7-S10 VanDerWaalsContact O-N 3.15Å
11D71.4Confident72.1Confident134 Ų13487.9 Ų87.972%0.71750%0.5SS*.Hα-helixtrans-75.2-32.1-173.3-77.1-14.6000113.9D7D7-D11 WeakPolarHBondContact O-CB 3.33Å; D7-D11 PolarHBondContact O-N 3.5Å
12G63.6Low73.9Confident19 Ų1984.8 Ų84.820%0.19649%0.487CS..  trans-92150.6-169.500000114.1E8 V17E8-G12 PolarHBondContact O-N 3.26Å; G12-V17 WeakPolarHBondContact O-CG2 3.34Å
13R71.5Confident75.3Confident231 Ų23189.6 Ų89.687%0.87250%0.502SS*.  trans-112.9134.5172.9-65.3-177.1-176.6-169.80.3110.1S16R13-S16 PolarHBondContact O-OG 3.5Å
14G75.4Confident76.4Confident63 Ų6390 Ų9065%0.64950%0.5SS*.THydrogen-bonded Turntrans67.8-153.7171.900000115.3S16 V17G14-S16 PolarHBondContact O-N 3.32Å; G14-V17 PolarHBondContact O-N 3.46Å
15A77.5Confident77.1Confident80 Ų8093.6 Ų93.666%0.66150%0.497SS*.Hα-helixtrans-61.2-17.3-172.700000114.8V17 L18 L19A15-V17 VanDerWaalsContact C-N 3.32Å; A15-V17 PolarHBondContact O-N 3.5Å; A15-L18 PolarHBondContact O-N 3.2Å; A15-L19 PolarHBondContact O-N 3.39Å
16S78.2Confident77.5Confident64 Ų6492.5 Ų92.545%0.44850%0.495SS..Hα-helixtrans-62-38.5176.8690000112.4R13 G14 L19 K20R13-S16 PolarHBondContact O-OG 3.5Å; G14-S16 PolarHBondContact O-N 3.32Å; S16-L19 PolarHBondContact O-N 2.97Å; S16-K20 WeakPolarHBondContact O-CG 3.26Å; S16-K20 PolarHBondContact O-N 2.96Å
17V79.2Confident77.7Confident18 Ų1890.7 Ų90.711%0.10948%0.482CS..Hα-helixtrans-63.9-48.3176.1176.80000110.5L9 G12 G14 A15 L19 K20 I21L9-V17 HydrophobicContact CD2-CG1 3.78Å; G12-V17 WeakPolarHBondContact O-CG2 3.34Å; G14-V17 PolarHBondContact O-N 3.46Å; A15-V17 VanDerWaalsContact C-N 3.32Å; A15-V17 PolarHBondContact O-N 3.5Å; V17-L19 VanDerWaalsContact C-N 3.29Å; V17-L19 PolarHBondContact O-N 2.88Å; V17-K20 WeakPolarHBondContact O-CB 2.98Å; V17-K20 PolarHBondContact O-N 2.88Å; V17-K20 VanDerWaalsContact O-N 3.14Å; V17-I21 HydrophobicContact CG1-CD1 3.78Å; V17-I21 HydrophobicContact CG1-CG1 4.46Å; V17-I21 WeakPolarHBondContact O-CG1 3.01Å; V17-I21 PolarHBondContact O-N 2.74Å
18L78.5Confident78.4Confident106 Ų10685.7 Ų85.756%0.55546%0.457SS*.Hα-helixtrans-56-47.9178.3179.367.2000110.4A15 K20 I21 L22A15-L18 PolarHBondContact O-N 3.2Å; L18-K20 VanDerWaalsContact C-N 3.34Å; L18-K20 PolarHBondContact O-N 2.93Å; L18-I21 PolarHBondContact O-N 2.85Å; L18-L22 HydrophobicContact CD1-CD1 3.94Å; L18-L22 HydrophobicContact CD1-CG 4.15Å; L18-L22 HydrophobicContact CD2-CD1 4.47Å; L18-L22 HydrophobicContact CG-CD1 3.83Å; L18-L22 HydrophobicContact CG-CG 4.36Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 2.72Å
19L80.3Confident79.2Confident92 Ų9285.5 Ų85.548%0.48246%0.457SS..Hα-helixtrans-66-36-180-169.365000112.4A15 S16 V17 K23A15-L19 PolarHBondContact O-N 3.39Å; S16-L19 PolarHBondContact O-N 2.97Å; V17-L19 VanDerWaalsContact C-N 3.29Å; V17-L19 PolarHBondContact O-N 2.88Å; L19-K23 HydrophobicContact CG-CD 4.19Å; L19-K23 WeakPolarHBondContact O-CB 3.45Å; L19-K23 VanDerWaalsContact O-CG 3.22Å; L19-K23 WeakPolarHBondContact O-CG 3.35Å; L19-K23 PolarHBondContact O-N 3.12Å
20K82.1Confident80.1Confident111 Ų11185.4 Ų85.448%0.48345%0.452SS..Hα-helixtrans-63.1-46.3174.6-77.2177.7179.4-176.10111.4S16 V17 L18 K23 K24S16-K20 WeakPolarHBondContact O-CG 3.26Å; S16-K20 PolarHBondContact O-N 2.96Å; V17-K20 WeakPolarHBondContact O-CB 2.98Å; V17-K20 PolarHBondContact O-N 2.88Å; V17-K20 VanDerWaalsContact O-N 3.14Å; L18-K20 VanDerWaalsContact C-N 3.34Å; L18-K20 PolarHBondContact O-N 2.93Å; K20-K23 PolarHBondContact O-N 3.23Å; K20-K24 PolarHBondContact O-N 3.43Å
21I84.3Confident80.8Confident56 Ų5684.5 Ų84.529%0.28744%0.435SS..Hα-helixtrans-65.6-47.6179.5-65.9169.9000110.8L9 V17 L18 K23 K24L9-I21 HydrophobicContact CD2-CD1 3.34Å; L9-I21 HydrophobicContact CG-CD1 3.82Å; V17-I21 HydrophobicContact CG1-CD1 3.78Å; V17-I21 HydrophobicContact CG1-CG1 4.46Å; V17-I21 WeakPolarHBondContact O-CG1 3.01Å; V17-I21 PolarHBondContact O-N 2.74Å; L18-I21 PolarHBondContact O-N 2.85Å; I21-K23 PolarHBondContact O-N 2.94Å; I21-K24 WeakPolarHBondContact O-CB 3.37Å; I21-K24 PolarHBondContact O-N 3.44Å; I21-K24 VanDerWaalsContact O-N 3.07Å
22L85Confident81.6Confident82 Ų8280.8 Ų80.843%0.42942%0.415SS..Hα-helixtrans-64.8-21.6178.4-66.7176.9000113.1L18 Y30L18-L22 HydrophobicContact CD1-CD1 3.94Å; L18-L22 HydrophobicContact CD1-CG 4.15Å; L18-L22 HydrophobicContact CD2-CD1 4.47Å; L18-L22 HydrophobicContact CG-CD1 3.83Å; L18-L22 HydrophobicContact CG-CG 4.36Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 2.72Å; L22-Y30 WeakPolarHBondContact O-CE2 3.36Å
23K85.2Confident83.1Confident157 Ų15779.9 Ų79.968%0.68341%0.406SS*.THydrogen-bonded Turntrans-83.4-12174.8-79.3178.1177.5-177.70113.9L19 K20 I21 W25L19-K23 HydrophobicContact CG-CD 4.19Å; L19-K23 WeakPolarHBondContact O-CB 3.45Å; L19-K23 VanDerWaalsContact O-CG 3.22Å; L19-K23 WeakPolarHBondContact O-CG 3.35Å; L19-K23 PolarHBondContact O-N 3.12Å; K20-K23 PolarHBondContact O-N 3.23Å; I21-K23 PolarHBondContact O-N 2.94Å; K23-W25 PolarHBondContact O-N 3.47Å
24K84.2Confident84.2Confident46 Ų4675.1 Ų75.120%0.239%0.388CS..  trans-68.2133.2177.8-74.1175-178.3-880109.4T3 E8 K20 I21 S28T3-K24 HydrophobicContact CG2-CD 3.87Å; E8-K24 WeakPolarHBondContact OE1-CE 3.4Å; E8-K24 IonicContact OE1-NZ 3.6Å; E8-K24 PolarHBondContact OE1-NZ 3.02Å; E8-K24 WeakPolarHBondContact OE2-CE 3.3Å; E8-K24 IonicContact OE2-NZ 2.78Å; E8-K24 PolarHBondContact OE2-NZ 2.75Å; E8-K24 VanDerWaalsContact OE2-NZ 3.14Å; K20-K24 PolarHBondContact O-N 3.43Å; I21-K24 WeakPolarHBondContact O-CB 3.37Å; I21-K24 PolarHBondContact O-N 3.44Å; I21-K24 VanDerWaalsContact O-N 3.07Å; K24-S28 WeakPolarHBondContact O-CB 3.31Å; K24-S28 PolarHBondContact O-OG 2.95Å
25W84.3Confident85.1Confident153 Ų15375.3 Ų75.358%0.5838%0.376SS*.  trans-95.5-42175.8-176.6-104000112.6K23 S28 K31 W34K23-W25 PolarHBondContact O-N 3.47Å; W25-S28 VanDerWaalsContact O-CB 3.22Å; W25-S28 WeakPolarHBondContact O-CB 3.35Å; W25-S28 PolarHBondContact O-N 2.94Å; W25-S28 PolarHBondContact O-OG 3.31Å; W25-K31 HydrophobicContact CD2-CB 4.28Å; W25-K31 HydrophobicContact CZ2-CB 4.16Å; W25-K31 HydrophobicContact CZ2-CG 4.39Å; W25-K31 VanDerWaalsContact O-CB 3.29Å; W25-K31 WeakPolarHBondContact O-CB 3.5Å; W25-W34 HydrophobicContact CH2-CB 4.37Å; W25-W34 HydrophobicContact CH2-CG 4.45Å
26K81.7Confident86Confident98 Ų9872.7 Ų72.743%0.42635%0.351SS..THydrogen-bonded Turntrans-74.3129.9-178.6-170174.1-177.61660110.6T3 S28 D438T3-K26 PolarHBondContact OG1-O 2.89Å; K26-S28 PolarHBondContact O-N 3.3Å; K26-D438 WeakPolarHBondContact CE-OD1 3.4Å; K26-D438 IonicContact NZ-OD1 2.72Å
27G78.5Confident86.8Confident27 Ų2771.1 Ų71.128%0.27834%0.338SS..THydrogen-bonded Turntrans6128.4-172.500000113.6E439G27-E439 WeakPolarHBondContact CA-OE1 3.42Å
28S88.5Confident87.6Confident14 Ų1474.9 Ų74.910%0.09836%0.357CS..  trans-99.2153.7-177.875.60000111.5K24 W25 K26 Y30 K31 L32K24-S28 WeakPolarHBondContact O-CB 3.31Å; K24-S28 PolarHBondContact O-OG 2.95Å; W25-S28 VanDerWaalsContact O-CB 3.22Å; W25-S28 WeakPolarHBondContact O-CB 3.35Å; W25-S28 PolarHBondContact O-N 2.94Å; W25-S28 PolarHBondContact O-OG 3.31Å; K26-S28 PolarHBondContact O-N 3.3Å; S28-Y30 PolarHBondContact O-N 3.36Å; S28-Y30 PolarHBondContact OG-N 2.89Å; S28-K31 PolarHBondContact O-N 3.5Å; S28-K31 PolarHBondContact OG-N 3.08Å; S28-K31 VanDerWaalsContact OG-N 3.14Å; S28-L32 PolarHBondContact O-N 3.38Å; S28-L32 VanDerWaalsContact O-N 3.15Å
29L88.1Confident88.5Confident60 Ų6074.9 Ų74.931%0.31436%0.356SS..Hα-helixtrans-54-39.6171.3-16864.1000111.8L32 V33 V426L29-L32 WeakPolarHBondContact O-CB 3.44Å; L29-L32 PolarHBondContact O-N 3.48Å; L29-L32 VanDerWaalsContact O-N 3.1Å; L29-V33 HydrophobicContact CD1-CG1 4.31Å; L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.4Å; L29-V33 PolarHBondContact O-N 3.04Å; L29-V426 HydrophobicContact CD1-CG2 4.13Å
30Y89.1Confident89.2Confident81 Ų8170.9 Ų70.932%0.31833%0.334SS..Hα-helixtrans-62.7-46.8-179.2-49.1-68.1000111.7L22 S28 L32 V33 W34 L418L22-Y30 WeakPolarHBondContact O-CE2 3.36Å; S28-Y30 PolarHBondContact O-N 3.36Å; S28-Y30 PolarHBondContact OG-N 2.89Å; Y30-L32 PolarHBondContact O-N 3.28Å; Y30-V33 PolarHBondContact O-N 2.92Å; Y30-W34 WeakPolarHBondContact O-CA 2.85Å; Y30-W34 VanDerWaalsContact O-CB 3.25Å; Y30-W34 WeakPolarHBondContact O-CB 3.28Å; Y30-W34 PolarHBondContact O-N 3.13Å; Y30-L418 HydrophobicContact CE1-CD1 4.48Å
31K89.9Confident89.8Confident83 Ų8367.9 Ų67.936%0.36132%0.323SS..Hα-helixtrans-62.1-28.8175.6-176.7-177.7173.3-171.80111.8W25 S28 W34 D438W25-K31 HydrophobicContact CD2-CB 4.28Å; W25-K31 HydrophobicContact CZ2-CB 4.16Å; W25-K31 HydrophobicContact CZ2-CG 4.39Å; W25-K31 VanDerWaalsContact O-CB 3.29Å; W25-K31 WeakPolarHBondContact O-CB 3.5Å; S28-K31 PolarHBondContact O-N 3.5Å; S28-K31 PolarHBondContact OG-N 3.08Å; S28-K31 VanDerWaalsContact OG-N 3.14Å; K31-W34 PolarHBondContact O-NE1 3.07Å; K31-D438 IonicContact NZ-OD2 3.94Å; K31-D438 PolarHBondContact NZ-OD2 3.44Å
32L89.4Confident90.3Very high55 Ų5567.9 Ų67.929%0.28833%0.329SS..Hα-helixtrans-78.2-31.4179.2-171.561000113.3S28 L29 Y30 K425 V426S28-L32 PolarHBondContact O-N 3.38Å; S28-L32 VanDerWaalsContact O-N 3.15Å; L29-L32 WeakPolarHBondContact O-CB 3.44Å; L29-L32 PolarHBondContact O-N 3.48Å; L29-L32 VanDerWaalsContact O-N 3.1Å; Y30-L32 PolarHBondContact O-N 3.28Å; L32-K425 HydrophobicContact CD1-CB 4.42Å; L32-K425 HydrophobicContact CD2-CB 3.57Å; L32-K425 HydrophobicContact CG-CB 3.69Å; L32-V426 HydrophobicContact CD2-CG2 4.24Å
33V94Very high90.7Very high0 Ų065.7 Ų65.70%032%0.322CS..Hα-helixtrans-116.5-3-171.9-50.40000115.2L29 Y30 V35 D36 L37 L418 K425L29-V33 HydrophobicContact CD1-CG1 4.31Å; L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.4Å; L29-V33 PolarHBondContact O-N 3.04Å; Y30-V33 PolarHBondContact O-N 2.92Å; V33-V35 VanDerWaalsContact C-N 3.26Å; V33-V35 PolarHBondContact O-N 3.28Å; V33-D36 PolarHBondContact O-N 2.88Å; V33-D36 VanDerWaalsContact O-N 3.13Å; V33-L37 WeakPolarHBondContact O-CB 3.16Å; V33-L37 PolarHBondContact O-N 3.5Å; V33-L418 HydrophobicContact CG2-CD2 3.61Å; V33-K425 HydrophobicContact CG1-CB 4.27Å; V33-K425 HydrophobicContact CG1-CG 4.15Å
34W94.3Very high91.1Very high132 Ų13258.2 Ų58.250%0.529%0.29SS..Hα-helixtrans-58.1-35.8-171.369.6-82.7000113.5W25 Y30 K31 L38W25-W34 HydrophobicContact CH2-CB 4.37Å; W25-W34 HydrophobicContact CH2-CG 4.45Å; Y30-W34 WeakPolarHBondContact O-CA 2.85Å; Y30-W34 VanDerWaalsContact O-CB 3.25Å; Y30-W34 WeakPolarHBondContact O-CB 3.28Å; Y30-W34 PolarHBondContact O-N 3.13Å; K31-W34 PolarHBondContact O-NE1 3.07Å; W34-L38 VanDerWaalsContact O-CB 3.29Å; W34-L38 WeakPolarHBondContact O-CB 3.11Å; W34-L38 PolarHBondContact O-N 2.92Å
35V95.6Very high91.5Very high66 Ų6659.6 Ų59.640%0.429%0.294SS..Hα-helixtrans-66.1-50.1177.3-1780000110.2V33 L37 L38 I39V33-V35 VanDerWaalsContact C-N 3.26Å; V33-V35 PolarHBondContact O-N 3.28Å; V35-L37 VanDerWaalsContact C-N 3.28Å; V35-L37 PolarHBondContact O-N 3.06Å; V35-L38 PolarHBondContact O-N 2.93Å; V35-I39 HydrophobicContact CG1-CD1 4.11Å; V35-I39 WeakPolarHBondContact O-CG1 3.42Å; V35-I39 PolarHBondContact O-N 3.44Å
36D95.9Very high92Very high25 Ų2557 Ų5713%0.13430%0.295CS..Hα-helixtrans-62.5-39.4179.3-52.8-95.5000110.7V33 I39 Y40 Y381 F417 M421 K425V33-D36 PolarHBondContact O-N 2.88Å; V33-D36 VanDerWaalsContact O-N 3.13Å; D36-I39 PolarHBondContact O-N 3.38Å; D36-Y40 WeakPolarHBondContact O-CB 3.32Å; D36-Y40 PolarHBondContact O-N 3.48Å; D36-Y381 PolarHBondContact OD1-OH 3.47Å; D36-F417 VanDerWaalsContact C-CZ 3.5Å; D36-F417 HydrophobicContact CB-CE1 4.39Å; D36-F417 HydrophobicContact CB-CZ 3.76Å; D36-M421 HydrophobicContact CB-CE 4.41Å; D36-M421 HydrophobicContact CB-CG 4.31Å; D36-K425 IonicContact OD1-NZ 3.02Å; D36-K425 PolarHBondContact OD1-NZ 2.76Å; D36-K425 VanDerWaalsContact OD2-CE 3.26Å; D36-K425 WeakPolarHBondContact OD2-CE 3.48Å; D36-K425 IonicContact OD2-NZ 2.89Å; D36-K425 PolarHBondContact OD2-NZ 2.82Å
37L95.5Very high92.5Very high32 Ų3254 Ų5417%0.16828%0.283CS..Hα-helixtrans-64.8-42.2176-179.763.9000111.8V33 V35 I39 Y40 I41 I414 F417 L418V33-L37 WeakPolarHBondContact O-CB 3.16Å; V33-L37 PolarHBondContact O-N 3.5Å; V35-L37 VanDerWaalsContact C-N 3.28Å; V35-L37 PolarHBondContact O-N 3.06Å; L37-I39 VanDerWaalsContact C-N 3.34Å; L37-Y40 PolarHBondContact O-N 2.92Å; L37-I41 HydrophobicContact CD1-CD1 3.83Å; L37-I41 HydrophobicContact CD1-CG1 4.08Å; L37-I41 HydrophobicContact CD2-CD1 4.4Å; L37-I41 HydrophobicContact CG-CD1 3.79Å; L37-I41 HydrophobicContact CG-CG1 4.38Å; L37-I41 WeakPolarHBondContact O-CB 3.45Å; L37-I41 VanDerWaalsContact O-CG1 3.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.4Å; L37-I41 PolarHBondContact O-N 2.97Å; L37-I414 HydrophobicContact CD1-CG2 4.07Å; L37-F417 HydrophobicContact CB-CD1 4.3Å; L37-F417 HydrophobicContact CB-CE1 3.77Å; L37-F417 HydrophobicContact CD1-CD1 3.65Å; L37-F417 HydrophobicContact CD1-CE1 3.98Å; L37-F417 HydrophobicContact CD1-CG 4.33Å; L37-F417 HydrophobicContact CG-CE1 4.5Å; L37-L418 HydrophobicContact CD2-CD2 4.19Å
38L96.3Very high93Very high97 Ų9752.8 Ų52.851%0.50827%0.27SS..Hα-helixtrans-62.1-43.7176.8-179.865000110.9W34 V35 S42W34-L38 VanDerWaalsContact O-CB 3.29Å; W34-L38 WeakPolarHBondContact O-CB 3.11Å; W34-L38 PolarHBondContact O-N 2.92Å; V35-L38 PolarHBondContact O-N 2.93Å; L38-S42 VanDerWaalsContact O-CB 3.26Å; L38-S42 WeakPolarHBondContact O-CB 3.29Å; L38-S42 PolarHBondContact O-N 3.1Å; L38-S42 PolarHBondContact O-OG 2.88Å
39I96.4Very high93.1Very high106 Ų10656.3 Ų56.354%0.54429%0.287SS..Hα-helixtrans-62.2-46.6175.6-67.4167.4000110.3V35 D36 L37 I41 S42 A43V35-I39 HydrophobicContact CG1-CD1 4.11Å; V35-I39 WeakPolarHBondContact O-CG1 3.42Å; V35-I39 PolarHBondContact O-N 3.44Å; D36-I39 PolarHBondContact O-N 3.38Å; L37-I39 VanDerWaalsContact C-N 3.34Å; I39-I41 PolarHBondContact O-N 2.89Å; I39-S42 PolarHBondContact O-N 2.96Å; I39-A43 WeakPolarHBondContact O-CB 3.22Å; I39-A43 PolarHBondContact O-N 3.27Å
40Y95.5Very high93.3Very high7 Ų754.9 Ų54.93%0.02728%0.283CS..Hα-helixtrans-58.5-48.8178.6178.3-92.4000112D36 L37 A43 Y44 F384 I388 S413 F417D36-Y40 WeakPolarHBondContact O-CB 3.32Å; D36-Y40 PolarHBondContact O-N 3.48Å; L37-Y40 PolarHBondContact O-N 2.92Å; Y40-A43 PolarHBondContact O-N 3.35Å; Y40-Y44 WeakPolarHBondContact O-CB 3.3Å; Y40-Y44 PolarHBondContact O-N 3.39Å; Y40-F384 HydrophobicContact CD2-CD1 4.48Å; Y40-F384 HydrophobicContact CE2-CD1 4.08Å; Y40-I388 HydrophobicContact CD2-CD1 3.8Å; Y40-I388 HydrophobicContact CD2-CG1 3.64Å; Y40-I388 HydrophobicContact CE2-CD1 3.97Å; Y40-I388 HydrophobicContact CE2-CG1 3.29Å; Y40-S413 PolarHBondContact OH-OG 3.03Å; Y40-F417 HydrophobicContact CD1-CD2 4.04Å; Y40-F417 HydrophobicContact CD1-CG 4.32Å; Y40-F417 AromaticContact CD2-CD2 3.5Å; Y40-F417 HydrophobicContact CD2-CD2 3.5Å; Y40-F417 VanDerWaalsContact CD2-CD2 3.5Å; Y40-F417 AromaticContact CD2-CE2 3.72Å; Y40-F417 HydrophobicContact CD2-CE2 3.72Å; Y40-F417 HydrophobicContact CD2-CG 4.5Å; Y40-F417 HydrophobicContact CE1-CD2 4.49Å; Y40-F417 AromaticContact CE2-CD2 3.98Å; Y40-F417 HydrophobicContact CE2-CD2 3.98Å; Y40-F417 AromaticContact CG-CD2 3.55Å; Y40-F417 HydrophobicContact CG-CD2 3.55Å; Y40-F417 AromaticContact CG-CE2 3.71Å; Y40-F417 HydrophobicContact CG-CE2 3.71Å; Y40-F417 HydrophobicContact CG-CG 4.25Å
41I93.9Very high93.3Very high48 Ų4851.4 Ų51.425%0.24627%0.269CS..Hα-helixtrans-65.2-41.7178.3-69.3173000111L37 I39 Y44 Y45 I414L37-I41 HydrophobicContact CD1-CD1 3.83Å; L37-I41 HydrophobicContact CD1-CG1 4.08Å; L37-I41 HydrophobicContact CD2-CD1 4.4Å; L37-I41 HydrophobicContact CG-CD1 3.79Å; L37-I41 HydrophobicContact CG-CG1 4.38Å; L37-I41 WeakPolarHBondContact O-CB 3.45Å; L37-I41 VanDerWaalsContact O-CG1 3.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.4Å; L37-I41 PolarHBondContact O-N 2.97Å; I39-I41 PolarHBondContact O-N 2.89Å; I41-Y44 WeakPolarHBondContact O-CB 3.48Å; I41-Y44 PolarHBondContact O-N 2.99Å; I41-Y45 HydrophobicContact CG2-CD2 3.61Å; I41-Y45 HydrophobicContact CG2-CE2 3.53Å; I41-Y45 VanDerWaalsContact O-CD2 3.25Å; I41-Y45 WeakPolarHBondContact O-CD2 3.42Å; I41-Y45 PolarHBondContact O-N 3Å; I41-I414 HydrophobicContact CD1-CD1 4.33Å
42S94.9Very high93Very high57 Ų5749.8 Ų49.840%0.39926%0.261SS..Hα-helixtrans-63-47.2178.3-58.60000111.2L38 I39 Y44 Y45 V46L38-S42 VanDerWaalsContact O-CB 3.26Å; L38-S42 WeakPolarHBondContact O-CB 3.29Å; L38-S42 PolarHBondContact O-N 3.1Å; L38-S42 PolarHBondContact O-OG 2.88Å; I39-S42 PolarHBondContact O-N 2.96Å; S42-Y44 VanDerWaalsContact C-N 3.32Å; S42-Y44 PolarHBondContact O-N 3.5Å; S42-Y45 PolarHBondContact O-N 2.88Å; S42-V46 WeakPolarHBondContact O-CB 3.45Å; S42-V46 VanDerWaalsContact O-CG2 3.27Å; S42-V46 WeakPolarHBondContact O-CG2 3.31Å; S42-V46 PolarHBondContact O-N 3.31Å
43A94.7Very high93Very high35 Ų3555 Ų5529%0.28928%0.282SS..Hα-helixtrans-61.4-41.5176.700000111.8I39 Y40 Y45 V46 L47 I388I39-A43 WeakPolarHBondContact O-CB 3.22Å; I39-A43 PolarHBondContact O-N 3.27Å; Y40-A43 PolarHBondContact O-N 3.35Å; A43-Y45 PolarHBondContact O-N 3.44Å; A43-V46 PolarHBondContact O-N 3.22Å; A43-L47 WeakPolarHBondContact O-CG 3.36Å; A43-L47 PolarHBondContact O-N 3.04Å; A43-I388 HydrophobicContact CB-CD1 4.1Å
44Y93.4Very high92.9Very high1 Ų158.6 Ų58.60%0.00431%0.311CS..Hα-helixtrans-57-50.1174.5175-92.2000112Y40 I41 S42 L47 N48 C391 Q392 F393 P410Y40-Y44 WeakPolarHBondContact O-CB 3.3Å; Y40-Y44 PolarHBondContact O-N 3.39Å; I41-Y44 WeakPolarHBondContact O-CB 3.48Å; I41-Y44 PolarHBondContact O-N 2.99Å; S42-Y44 VanDerWaalsContact C-N 3.32Å; S42-Y44 PolarHBondContact O-N 3.5Å; Y44-L47 PolarHBondContact O-N 3.21Å; Y44-N48 HydrophobicContact CE1-CB 4.47Å; Y44-N48 VanDerWaalsContact O-CB 3.32Å; Y44-N48 WeakPolarHBondContact O-CB 3.32Å; Y44-N48 PolarHBondContact O-N 3.46Å; Y44-C391 HydrophobicContact CE2-CB 4.16Å; Y44-C391 WeakPolarHBondContact CE2-O 3.45Å; Y44-C391 PolarHBondContact OH-O 3.14Å; Y44-Q392 VanDerWaalsContact CD2-NE2 3.3Å; Y44-Q392 PolarHBondContact O-NE2 3.33Å; Y44-F393 WeakPolarHBondContact OH-CD2 3.4Å; Y44-F393 WeakPolarHBondContact OH-CE2 3.41Å; Y44-P410 HydrophobicContact CD1-CG 3.85Å; Y44-P410 HydrophobicContact CD2-CG 4.08Å; Y44-P410 HydrophobicContact CE1-CB 4.37Å; Y44-P410 HydrophobicContact CE1-CG 3.62Å; Y44-P410 HydrophobicContact CE2-CB 4.02Å; Y44-P410 HydrophobicContact CE2-CG 3.85Å; Y44-P410 HydrophobicContact CG-CG 4.08Å
45Y93Very high92.8Very high75 Ų7554.6 Ų54.629%0.29430%0.299SS..Hα-helixtrans-71.4-33.7-179.2-78.2-62.8000113.1I41 S42 A43 L47 N48 L49 Y408I41-Y45 HydrophobicContact CG2-CD2 3.61Å; I41-Y45 HydrophobicContact CG2-CE2 3.53Å; I41-Y45 VanDerWaalsContact O-CD2 3.25Å; I41-Y45 WeakPolarHBondContact O-CD2 3.42Å; I41-Y45 PolarHBondContact O-N 3Å; S42-Y45 PolarHBondContact O-N 2.88Å; A43-Y45 PolarHBondContact O-N 3.44Å; Y45-L47 VanDerWaalsContact C-N 3.35Å; Y45-N48 PolarHBondContact O-N 2.89Å; Y45-L49 VanDerWaalsContact O-CB 3.24Å; Y45-L49 WeakPolarHBondContact O-CB 3.48Å; Y45-L49 WeakPolarHBondContact O-CG 3.45Å; Y45-L49 PolarHBondContact O-N 3.07Å; Y45-Y408 WeakPolarHBondContact CE1-O 3.19Å; Y45-Y408 PolarHBondContact OH-O 3.5Å
46V94.2Very high92.7Very high99 Ų9955.6 Ų55.660%0.630%0.301SS*.Hα-helixtrans-60-47.1173.3167.30000110.6S42 A43 S50S42-V46 WeakPolarHBondContact O-CB 3.45Å; S42-V46 VanDerWaalsContact O-CG2 3.27Å; S42-V46 WeakPolarHBondContact O-CG2 3.31Å; S42-V46 PolarHBondContact O-N 3.31Å; A43-V46 PolarHBondContact O-N 3.22Å; V46-S50 VanDerWaalsContact O-CB 3.29Å; V46-S50 WeakPolarHBondContact O-CB 3.37Å; V46-S50 PolarHBondContact O-N 3.42Å; V46-S50 PolarHBondContact O-OG 2.92Å
47L91.9Very high92.3Very high35 Ų3560.4 Ų60.418%0.18333%0.327CS..Hα-helixtrans-65.3-42.8175.9-72.1168.9000112.1A43 Y44 Y45 S50 Y51 F63 I388 F389A43-L47 WeakPolarHBondContact O-CG 3.36Å; A43-L47 PolarHBondContact O-N 3.04Å; Y44-L47 PolarHBondContact O-N 3.21Å; Y45-L47 VanDerWaalsContact C-N 3.35Å; L47-S50 WeakPolarHBondContact CA-OG 3.25Å; L47-S50 PolarHBondContact O-N 2.81Å; L47-S50 PolarHBondContact O-OG 3.27Å; L47-Y51 WeakPolarHBondContact O-CB 3.16Å; L47-Y51 PolarHBondContact O-N 2.9Å; L47-F63 HydrophobicContact CD2-CE2 4.3Å; L47-I388 HydrophobicContact CD1-CG2 3.42Å; L47-I388 VanDerWaalsContact CD1-CG2 3.42Å; L47-F389 HydrophobicContact CD1-CD1 4.31Å; L47-F389 HydrophobicContact CD1-CE1 3.97Å; L47-F389 HydrophobicContact CD1-CE2 4.32Å; L47-F389 HydrophobicContact CD1-CZ 3.96Å; L47-F389 HydrophobicContact CD2-CE1 3.84Å; L47-F389 HydrophobicContact CD2-CZ 4.12Å
48N89.9Confident92.2Very high1 Ų166.9 Ų66.91%0.00535%0.354CS..Hα-helixtrans-62.4-46.7178.4-173-94.5000112.4Y44 Y45 Y51 R52 Q392Y44-N48 HydrophobicContact CE1-CB 4.47Å; Y44-N48 VanDerWaalsContact O-CB 3.32Å; Y44-N48 WeakPolarHBondContact O-CB 3.32Å; Y44-N48 PolarHBondContact O-N 3.46Å; Y45-N48 PolarHBondContact O-N 2.89Å; N48-Y51 PolarHBondContact O-N 3.47Å; N48-R52 WeakPolarHBondContact O-CB 3.42Å; N48-R52 VanDerWaalsContact O-CG 3.3Å; N48-R52 WeakPolarHBondContact O-CG 3.34Å; N48-R52 PolarHBondContact O-N 3.39Å; N48-R52 WeakPolarHBondContact OD1-CD 3.48Å; N48-R52 PolarHBondContact OD1-NE 3.38Å; N48-R52 PolarHBondContact OD1-NH1 3.09Å; N48-Q392 VanDerWaalsContact CA-OE1 3.25Å
49L89.9Confident92.1Very high87 Ų8766.7 Ų66.746%0.45535%0.35SS..Hα-helixtrans-69.4-38.5179.9-67.7173.7000111.5Y45 R52 F53Y45-L49 VanDerWaalsContact O-CB 3.24Å; Y45-L49 WeakPolarHBondContact O-CB 3.48Å; Y45-L49 WeakPolarHBondContact O-CG 3.45Å; Y45-L49 PolarHBondContact O-N 3.07Å; L49-R52 PolarHBondContact O-N 2.93Å; L49-F53 HydrophobicContact CB-CD2 4.41Å; L49-F53 HydrophobicContact CD2-CD2 3.89Å; L49-F53 HydrophobicContact CD2-CE2 3.62Å; L49-F53 WeakPolarHBondContact O-CB 3.48Å; L49-F53 PolarHBondContact O-N 3.33Å
50S91.2Very high91.8Very high31 Ų3164 Ų6422%0.21734%0.335CS..Iπ-helixtrans-63.5-44.8174.7630000112.2V46 L47 R52 A54 M55V46-S50 VanDerWaalsContact O-CB 3.29Å; V46-S50 WeakPolarHBondContact O-CB 3.37Å; V46-S50 PolarHBondContact O-N 3.42Å; V46-S50 PolarHBondContact O-OG 2.92Å; L47-S50 WeakPolarHBondContact CA-OG 3.25Å; L47-S50 PolarHBondContact O-N 2.81Å; L47-S50 PolarHBondContact O-OG 3.27Å; S50-R52 VanDerWaalsContact C-N 3.33Å; S50-R52 PolarHBondContact O-N 3.35Å; S50-A54 CarbonylContact O-C 3.54Å; S50-A54 WeakPolarHBondContact O-CA 3.39Å; S50-A54 WeakPolarHBondContact O-CB 3.48Å; S50-A54 PolarHBondContact O-N 3.05Å; S50-M55 WeakPolarHBondContact O-CG 3.49Å; S50-M55 PolarHBondContact O-N 3.17Å
51Y88.8Confident91.6Very high8 Ų868.2 Ų68.23%0.03136%0.357CS..Iπ-helixtrans-59.9-43.1174.9172.4-101.2000111.8L47 N48 M55 K60 F63 E64 V394 Q395L47-Y51 WeakPolarHBondContact O-CB 3.16Å; L47-Y51 PolarHBondContact O-N 2.9Å; N48-Y51 PolarHBondContact O-N 3.47Å; Y51-M55 HydrophobicContact CD2-SD 4.29Å; Y51-K60 HydrophobicContact CD2-CB 4.43Å; Y51-K60 HydrophobicContact CD2-CG 3.93Å; Y51-K60 HydrophobicContact CE2-CB 3.8Å; Y51-K60 HydrophobicContact CE2-CD 4.22Å; Y51-K60 HydrophobicContact CE2-CG 3.63Å; Y51-K60 WeakPolarHBondContact O-CE 3.4Å; Y51-F63 HydrophobicContact CD2-CB 4.25Å; Y51-F63 AromaticContact CD2-CD1 3.29Å; Y51-F63 HydrophobicContact CD2-CD1 3.29Å; Y51-F63 AromaticContact CD2-CE1 3.72Å; Y51-F63 HydrophobicContact CD2-CE1 3.72Å; Y51-F63 AromaticContact CD2-CG 3.92Å; Y51-F63 HydrophobicContact CD2-CG 3.92Å; Y51-F63 AromaticContact CE2-CD1 3.82Å; Y51-F63 HydrophobicContact CE2-CD1 3.82Å; Y51-F63 HydrophobicContact CE2-CE1 4.44Å; Y51-F63 AromaticContact CG-CD1 3.98Å; Y51-F63 HydrophobicContact CG-CD1 3.98Å; Y51-F63 AromaticContact CG-CE1 3.91Å; Y51-F63 HydrophobicContact CG-CE1 3.91Å; Y51-E64 HydrophobicContact CE2-CG 4.44Å; Y51-E64 PolarHBondContact OH-OE1 3.42Å; Y51-V394 HydrophobicContact CE2-CG1 4.31Å; Y51-V394 WeakPolarHBondContact OH-CG1 3.24Å; Y51-Q395 HydrophobicContact CE1-CB 4.46Å; Y51-Q395 PolarHBondContact OH-N 3.38Å
52R85.3Confident91.5Very high48 Ų4870.5 Ų70.518%0.18137%0.369CS..Iπ-helixtrans-72.8-45-176.9-74175.8170.4172.2-10.6113.6N48 L49 S50 D406 Y408N48-R52 WeakPolarHBondContact O-CB 3.42Å; N48-R52 VanDerWaalsContact O-CG 3.3Å; N48-R52 WeakPolarHBondContact O-CG 3.34Å; N48-R52 PolarHBondContact O-N 3.39Å; N48-R52 WeakPolarHBondContact OD1-CD 3.48Å; N48-R52 PolarHBondContact OD1-NE 3.38Å; N48-R52 PolarHBondContact OD1-NH1 3.09Å; L49-R52 PolarHBondContact O-N 2.93Å; S50-R52 VanDerWaalsContact C-N 3.33Å; S50-R52 PolarHBondContact O-N 3.35Å; R52-D406 IonicContact CZ-OD2 2.95Å; R52-D406 IonicContact NE-OD2 3.37Å; R52-D406 IonicContact NH2-OD2 2.88Å; R52-D406 PolarHBondContact NH2-OD2 3.37Å; R52-Y408 VanDerWaalsContact NH1-CD1 3.25Å
53F89.7Confident91.5Very high166 Ų16668.3 Ų68.373%0.72835%0.352SS*.Iπ-helixtrans-117-18.5-165.4-57.4-62.2000115.2L49L49-F53 HydrophobicContact CB-CD2 4.41Å; L49-F53 HydrophobicContact CD2-CD2 3.89Å; L49-F53 HydrophobicContact CD2-CE2 3.62Å; L49-F53 WeakPolarHBondContact O-CB 3.48Å; L49-F53 PolarHBondContact O-N 3.33Å
54A91.2Very high91.4Very high75 Ų7569.7 Ų69.762%0.6235%0.352SS*.Iπ-helixtrans-108-31.3-176.700000113.4S50S50-A54 CarbonylContact O-C 3.54Å; S50-A54 WeakPolarHBondContact O-CA 3.39Å; S50-A54 WeakPolarHBondContact O-CB 3.48Å; S50-A54 PolarHBondContact O-N 3.05Å
55M92Very high91.3Very high48 Ų4875.6 Ų75.624%0.23638%0.38CS..  trans-84.4135.4-177-67.4-178.1-175.500112.6S50 Y51 Q59 K60 F63S50-M55 WeakPolarHBondContact O-CG 3.49Å; S50-M55 PolarHBondContact O-N 3.17Å; Y51-M55 HydrophobicContact CD2-SD 4.29Å; M55-Q59 HydrophobicContact CB-CB 3.98Å; M55-Q59 HydrophobicContact CG-CB 4.23Å; M55-K60 HydrophobicContact CB-CG 3.97Å; M55-K60 WeakPolarHBondContact O-CE 3.34Å; M55-F63 HydrophobicContact CE-CD2 3.76Å; M55-F63 HydrophobicContact CE-CE2 4.19Å; M55-F63 HydrophobicContact CE-CG 4.41Å; M55-F63 HydrophobicContact SD-CB 3.96Å; M55-F63 HydrophobicContact SD-CD2 4.01Å; M55-F63 HydrophobicContact SD-CG 4.06Å
56N92.9Very high91.4Very high86 Ų8675.4 Ų75.446%0.4638%0.384SS..  trans-80.6172.9169.868.432.8000112.1K58 Q59 K60N56-K58 VanDerWaalsContact C-N 3.29Å; N56-K58 PolarHBondContact O-N 3.02Å; N56-K58 PolarHBondContact OD1-N 3.5Å; N56-Q59 VanDerWaalsContact CG-OE1 3.3Å; N56-Q59 PolarHBondContact ND2-OE1 3.38Å; N56-Q59 PolarHBondContact O-N 3.37Å; N56-Q59 VanDerWaalsContact O-N 3.12Å; N56-Q59 WeakPolarHBondContact OD1-CB 3.38Å; N56-Q59 VanDerWaalsContact OD1-CG 3.3Å; N56-Q59 WeakPolarHBondContact OD1-CG 3.3Å; N56-Q59 PolarHBondContact OD1-N 3.43Å; N56-Q59 PolarHBondContact OD1-OE1 2.94Å; N56-K60 WeakPolarHBondContact O-CG 2.98Å; N56-K60 PolarHBondContact O-N 2.87Å
57D88.4Confident91.4Very high126 Ų12671.3 Ų71.367%0.67436%0.359SS*.Hα-helixtrans-59.2-36.7-174.6-60-41.9000113.6K60 I61D57-K60 PolarHBondContact O-N 3.28Å; D57-I61 WeakPolarHBondContact O-CG1 3.14Å; D57-I61 PolarHBondContact O-N 3.4Å
58K92.5Very high91.3Very high169 Ų16975.1 Ų75.174%0.73538%0.375SS*.Hα-helixtrans-68.5-42.1177.1-65.8-175.2179.9-178.70111.8N56 I61 I62N56-K58 VanDerWaalsContact C-N 3.29Å; N56-K58 PolarHBondContact O-N 3.02Å; N56-K58 PolarHBondContact OD1-N 3.5Å; K58-I61 PolarHBondContact O-N 3.49Å; K58-I62 PolarHBondContact O-N 2.89Å
59Q93.8Very high91.5Very high92 Ų9281.1 Ų81.143%0.4340%0.402SS..Hα-helixtrans-67.7-37.2177.1-71.8169.7-41.400111.7M55 N56 I61 I62 F63M55-Q59 HydrophobicContact CB-CB 3.98Å; M55-Q59 HydrophobicContact CG-CB 4.23Å; N56-Q59 VanDerWaalsContact CG-OE1 3.3Å; N56-Q59 PolarHBondContact ND2-OE1 3.38Å; N56-Q59 PolarHBondContact O-N 3.37Å; N56-Q59 VanDerWaalsContact O-N 3.12Å; N56-Q59 WeakPolarHBondContact OD1-CB 3.38Å; N56-Q59 VanDerWaalsContact OD1-CG 3.3Å; N56-Q59 WeakPolarHBondContact OD1-CG 3.3Å; N56-Q59 PolarHBondContact OD1-N 3.43Å; N56-Q59 PolarHBondContact OD1-OE1 2.94Å; Q59-I61 PolarHBondContact O-N 3.25Å; Q59-I62 PolarHBondContact O-N 3.05Å; Q59-F63 PolarHBondContact O-N 2.92Å
60K91.3Very high91.8Very high51 Ų5177.4 Ų77.422%0.22238%0.383CS..Hα-helixtrans-56.7-50.5175.2-75.8178.4176.4173.40110.3Y51 M55 N56 D57 I62 F63 E64Y51-K60 HydrophobicContact CD2-CB 4.43Å; Y51-K60 HydrophobicContact CD2-CG 3.93Å; Y51-K60 HydrophobicContact CE2-CB 3.8Å; Y51-K60 HydrophobicContact CE2-CD 4.22Å; Y51-K60 HydrophobicContact CE2-CG 3.63Å; Y51-K60 WeakPolarHBondContact O-CE 3.4Å; M55-K60 HydrophobicContact CB-CG 3.97Å; M55-K60 WeakPolarHBondContact O-CE 3.34Å; N56-K60 WeakPolarHBondContact O-CG 2.98Å; N56-K60 PolarHBondContact O-N 2.87Å; D57-K60 PolarHBondContact O-N 3.28Å; K60-I62 VanDerWaalsContact C-N 3.33Å; K60-I62 PolarHBondContact O-N 2.67Å; K60-F63 CarbonylContact O-C 3.57Å; K60-F63 WeakPolarHBondContact O-CA 3.45Å; K60-F63 VanDerWaalsContact O-CB 3.26Å; K60-F63 WeakPolarHBondContact O-CB 3.41Å; K60-F63 PolarHBondContact O-N 3.04Å; K60-E64 WeakPolarHBondContact O-CG 3.27Å; K60-E64 PolarHBondContact O-N 3.27Å
61I90.6Very high91.8Very high94 Ų9479.8 Ų79.848%0.48240%0.396SS..Hα-helixtrans-51.8-49.8177.7-66.2164.8000111.7D57 K58 Q59 F63 E64 E65D57-I61 WeakPolarHBondContact O-CG1 3.14Å; D57-I61 PolarHBondContact O-N 3.4Å; K58-I61 PolarHBondContact O-N 3.49Å; Q59-I61 PolarHBondContact O-N 3.25Å; I61-F63 VanDerWaalsContact C-N 3.29Å; I61-F63 PolarHBondContact O-N 3.4Å; I61-E64 PolarHBondContact O-N 3.39Å; I61-E64 VanDerWaalsContact O-N 3.13Å; I61-E65 PolarHBondContact O-N 3.24Å; I61-E65 VanDerWaalsContact O-N 3.08Å
62I92.9Very high91.9Very high97 Ų9786.7 Ų86.750%0.49742%0.422SS..Hα-helixtrans-61.2-40.2177.8-61.7169.5000110.9K58 Q59 K60 E64 E65 I66K58-I62 PolarHBondContact O-N 2.89Å; Q59-I62 PolarHBondContact O-N 3.05Å; K60-I62 VanDerWaalsContact C-N 3.33Å; K60-I62 PolarHBondContact O-N 2.67Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.32Å; I62-E65 WeakPolarHBondContact O-CB 3.41Å; I62-E65 PolarHBondContact O-N 2.75Å; I62-I66 HydrophobicContact CG2-CD1 4.15Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 2.92Å
63F93.4Very high92.3Very high10 Ų1086.3 Ų86.34%0.04443%0.425CS..Hα-helixtrans-63.4-39.5176-175.6-93.3000112L47 Y51 M55 Q59 K60 I61 E65 I66 V67 F389 Q392 V394L47-F63 HydrophobicContact CD2-CE2 4.3Å; Y51-F63 HydrophobicContact CD2-CB 4.25Å; Y51-F63 AromaticContact CD2-CD1 3.29Å; Y51-F63 HydrophobicContact CD2-CD1 3.29Å; Y51-F63 AromaticContact CD2-CE1 3.72Å; Y51-F63 HydrophobicContact CD2-CE1 3.72Å; Y51-F63 AromaticContact CD2-CG 3.92Å; Y51-F63 HydrophobicContact CD2-CG 3.92Å; Y51-F63 AromaticContact CE2-CD1 3.82Å; Y51-F63 HydrophobicContact CE2-CD1 3.82Å; Y51-F63 HydrophobicContact CE2-CE1 4.44Å; Y51-F63 AromaticContact CG-CD1 3.98Å; Y51-F63 HydrophobicContact CG-CD1 3.98Å; Y51-F63 AromaticContact CG-CE1 3.91Å; Y51-F63 HydrophobicContact CG-CE1 3.91Å; M55-F63 HydrophobicContact CE-CD2 3.76Å; M55-F63 HydrophobicContact CE-CE2 4.19Å; M55-F63 HydrophobicContact CE-CG 4.41Å; M55-F63 HydrophobicContact SD-CB 3.96Å; M55-F63 HydrophobicContact SD-CD2 4.01Å; M55-F63 HydrophobicContact SD-CG 4.06Å; Q59-F63 PolarHBondContact O-N 2.92Å; K60-F63 CarbonylContact O-C 3.57Å; K60-F63 WeakPolarHBondContact O-CA 3.45Å; K60-F63 VanDerWaalsContact O-CB 3.26Å; K60-F63 WeakPolarHBondContact O-CB 3.41Å; K60-F63 PolarHBondContact O-N 3.04Å; I61-F63 VanDerWaalsContact C-N 3.29Å; I61-F63 PolarHBondContact O-N 3.4Å; F63-E65 VanDerWaalsContact C-N 3.33Å; F63-E65 PolarHBondContact O-N 3.32Å; F63-I66 PolarHBondContact O-N 3.37Å; F63-V67 HydrophobicContact CD1-CG2 3.85Å; F63-V67 HydrophobicContact CE1-CG2 3.61Å; F63-V67 HydrophobicContact CZ-CG2 4.18Å; F63-V67 VanDerWaalsContact O-CG2 3.31Å; F63-V67 WeakPolarHBondContact O-CG2 3.35Å; F63-V67 PolarHBondContact O-N 2.88Å; F63-F389 HydrophobicContact CE2-CD1 4.07Å; F63-F389 HydrophobicContact CE2-CE1 4.07Å; F63-F389 HydrophobicContact CZ-CD1 4.43Å; F63-Q392 HydrophobicContact CE1-CB 3.98Å; F63-Q392 HydrophobicContact CE1-CG 4.11Å; F63-Q392 HydrophobicContact CZ-CB 4.21Å; F63-Q392 HydrophobicContact CZ-CG 3.81Å; F63-V394 HydrophobicContact CD1-CG2 4.38Å; F63-V394 HydrophobicContact CE1-CG2 4.3Å
64E92.5Very high92.2Very high64 Ų6480.6 Ų80.630%0.29940%0.4SS..Hα-helixtrans-64.6-39177.4-34.6-162.5151.400110.9Y51 K60 I61 I62 V67 E68 V394Y51-E64 HydrophobicContact CE2-CG 4.44Å; Y51-E64 PolarHBondContact OH-OE1 3.42Å; K60-E64 WeakPolarHBondContact O-CG 3.27Å; K60-E64 PolarHBondContact O-N 3.27Å; I61-E64 PolarHBondContact O-N 3.39Å; I61-E64 VanDerWaalsContact O-N 3.13Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.32Å; E64-V67 PolarHBondContact O-N 2.84Å; E64-E68 PolarHBondContact O-N 3.41Å; E64-V394 HydrophobicContact CB-CG1 3.77Å; E64-V394 HydrophobicContact CG-CG1 3.35Å; E64-V394 WeakPolarHBondContact OE1-CG1 3.26Å
65E93.1Very high92.1Very high125 Ų12580.1 Ų80.158%0.58440%0.403SS*.Hα-helixtrans-61.8-42.1172.8-68.3176179.500111.9I61 I62 F63 E68 F69I61-E65 PolarHBondContact O-N 3.24Å; I61-E65 VanDerWaalsContact O-N 3.08Å; I62-E65 WeakPolarHBondContact O-CB 3.41Å; I62-E65 PolarHBondContact O-N 2.75Å; F63-E65 VanDerWaalsContact C-N 3.33Å; F63-E65 PolarHBondContact O-N 3.32Å; E65-E68 PolarHBondContact O-N 3Å; E65-F69 WeakPolarHBondContact O-CB 3.33Å; E65-F69 PolarHBondContact O-N 3.4Å
66I94.5Very high92Very high72 Ų7283.9 Ų83.937%0.36942%0.424SS..Hα-helixtrans-64-43.1175.2-67.7166.3000110.7I62 F63 E68 F69 C70 F389I62-I66 HydrophobicContact CG2-CD1 4.15Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 2.92Å; F63-I66 PolarHBondContact O-N 3.37Å; I66-E68 VanDerWaalsContact C-N 3.35Å; I66-E68 PolarHBondContact O-N 3.35Å; I66-F69 WeakPolarHBondContact O-CB 3.41Å; I66-F69 PolarHBondContact O-N 2.99Å; I66-C70 WeakPolarHBondContact O-CB 3.5Å; I66-C70 PolarHBondContact O-N 3.16Å; I66-C70 PolarHBondContact O-SG 3.41Å; I66-F389 HydrophobicContact CG2-CD1 3.99Å; I66-F389 HydrophobicContact CG2-CE1 4.28Å; I66-F389 HydrophobicContact CG2-CG 4.4Å
67V93.1Very high91.7Very high13 Ų1381.9 Ų81.98%0.07941%0.412CS..Hα-helixtrans-60-47176.9168.80000110.1F63 E64 F69 C70 V71 F389 Q392 V394F63-V67 HydrophobicContact CD1-CG2 3.85Å; F63-V67 HydrophobicContact CE1-CG2 3.61Å; F63-V67 HydrophobicContact CZ-CG2 4.18Å; F63-V67 VanDerWaalsContact O-CG2 3.31Å; F63-V67 WeakPolarHBondContact O-CG2 3.35Å; F63-V67 PolarHBondContact O-N 2.88Å; E64-V67 PolarHBondContact O-N 2.84Å; V67-F69 PolarHBondContact O-N 3.3Å; V67-C70 PolarHBondContact O-N 3.35Å; V67-V71 HydrophobicContact CG1-CG2 4.46Å; V67-V71 VanDerWaalsContact O-CG2 3.32Å; V67-V71 WeakPolarHBondContact O-CG2 3.36Å; V67-V71 PolarHBondContact O-N 3.44Å; V67-F389 WeakPolarHBondContact CG1-O 3.41Å; V67-F389 WeakPolarHBondContact CG2-O 3.33Å; V67-Q392 HydrophobicContact CG2-CB 4.13Å; V67-V394 HydrophobicContact CB-CG2 4.09Å; V67-V394 HydrophobicContact CG1-CG2 3.96Å; V67-V394 HydrophobicContact CG2-CG2 3.82Å
68E91Very high91.8Very high114 Ų11479.8 Ų79.853%0.53341%0.406SS..Hα-helixtrans-61.5-43.4177.3-164.1-165.7146.400111.8E64 E65 I66 C70 V71 R72E64-E68 PolarHBondContact O-N 3.41Å; E65-E68 PolarHBondContact O-N 3Å; I66-E68 VanDerWaalsContact C-N 3.35Å; I66-E68 PolarHBondContact O-N 3.35Å; E68-C70 VanDerWaalsContact C-N 3.32Å; E68-C70 PolarHBondContact O-N 2.96Å; E68-V71 PolarHBondContact O-N 3.49Å; E68-R72 PolarHBondContact O-N 2.88Å; E68-R72 VanDerWaalsContact O-N 3.07Å; E68-R72 IonicContact OE1-NH2 3.36Å; E68-R72 PolarHBondContact OE1-NH2 2.89Å
69F93.9Very high91.8Very high127 Ų12772.1 Ų72.156%0.55737%0.373SS*.Hα-helixtrans-58.1-44.5174.6174.8-97000111.9E65 I66 V67 R72 T73E65-F69 WeakPolarHBondContact O-CB 3.33Å; E65-F69 PolarHBondContact O-N 3.4Å; I66-F69 WeakPolarHBondContact O-CB 3.41Å; I66-F69 PolarHBondContact O-N 2.99Å; V67-F69 PolarHBondContact O-N 3.3Å; F69-R72 PolarHBondContact O-N 3.47Å; F69-T73 WeakPolarHBondContact CZ-OG1 3.3Å; F69-T73 WeakPolarHBondContact O-CB 3.19Å; F69-T73 PolarHBondContact O-N 3.3Å; F69-T73 PolarHBondContact O-OG1 3.26Å
70C95.1Very high91.6Very high10 Ų1071.5 Ų71.57%0.06838%0.378CS..Hα-helixtrans-68.1-37.4177.9-76.10000112.8I66 V67 E68 R72 K74 C386 F389 A390I66-C70 WeakPolarHBondContact O-CB 3.5Å; I66-C70 PolarHBondContact O-N 3.16Å; I66-C70 PolarHBondContact O-SG 3.41Å; V67-C70 PolarHBondContact O-N 3.35Å; E68-C70 VanDerWaalsContact C-N 3.32Å; E68-C70 PolarHBondContact O-N 2.96Å; C70-R72 VanDerWaalsContact C-N 3.31Å; C70-R72 PolarHBondContact O-N 2.87Å; C70-K74 WeakPolarHBondContact O-CB 3.25Å; C70-K74 PolarHBondContact O-N 3.11Å; C70-C386 HydrophobicContact CB-CB 4.18Å; C70-C386 WeakPolarHBondContact CB-O 3.46Å; C70-F389 HydrophobicContact CB-CB 3.77Å; C70-A390 HydrophobicContact CB-CB 4.47Å
71V91Very high91.7Very high80 Ų8075.8 Ų75.849%0.48540%0.397SS..Hα-helixtrans-57.9-46.2173.7169.30000110.3V67 E68 A390V67-V71 HydrophobicContact CG1-CG2 4.46Å; V67-V71 VanDerWaalsContact O-CG2 3.32Å; V67-V71 WeakPolarHBondContact O-CG2 3.36Å; V67-V71 PolarHBondContact O-N 3.44Å; E68-V71 PolarHBondContact O-N 3.49Å; V71-A390 HydrophobicContact CB-CB 4.37Å; V71-A390 HydrophobicContact CG2-CB 3.62Å
72R92.6Very high91.8Very high154 Ų15473.4 Ų73.458%0.58139%0.385SS*.Hα-helixtrans-65.6-55.4179-167.8-179.8-55.3165.45.7111.6E68 F69 C70 K74 G75E68-R72 PolarHBondContact O-N 2.88Å; E68-R72 VanDerWaalsContact O-N 3.07Å; E68-R72 IonicContact OE1-NH2 3.36Å; E68-R72 PolarHBondContact OE1-NH2 2.89Å; F69-R72 PolarHBondContact O-N 3.47Å; C70-R72 VanDerWaalsContact C-N 3.31Å; C70-R72 PolarHBondContact O-N 2.87Å; R72-K74 VanDerWaalsContact C-N 3.29Å; R72-K74 PolarHBondContact O-N 2.96Å; R72-G75 PolarHBondContact O-N 3.19Å
73T92Very high91.9Very high39 Ų3968.8 Ų68.824%0.23936%0.362CS..Hα-helixtrans-59.8-38.8-175.5-56.10000112.4F69 G75 D76F69-T73 WeakPolarHBondContact CZ-OG1 3.3Å; F69-T73 WeakPolarHBondContact O-CB 3.19Å; F69-T73 PolarHBondContact O-N 3.3Å; F69-T73 PolarHBondContact O-OG1 3.26Å; T73-G75 VanDerWaalsContact C-N 3.26Å; T73-G75 PolarHBondContact O-N 3.27Å; T73-D76 PolarHBondContact O-N 2.81Å; T73-D76 VanDerWaalsContact O-N 3.16Å
74K89.3Confident92Very high46 Ų4669.2 Ų69.220%0.237%0.369CS..Hα-helixtrans-57.9-38.7177.3-179.1-153.6170.8-172.10112.1C70 R72 D76 I77 Y383 C386 Q387C70-K74 WeakPolarHBondContact O-CB 3.25Å; C70-K74 PolarHBondContact O-N 3.11Å; R72-K74 VanDerWaalsContact C-N 3.29Å; R72-K74 PolarHBondContact O-N 2.96Å; K74-D76 PolarHBondContact O-N 3.36Å; K74-I77 PolarHBondContact O-N 3.06Å; K74-Y383 HydrophobicContact CB-CD2 4.46Å; K74-Y383 HydrophobicContact CD-CD2 4.3Å; K74-Y383 HydrophobicContact CD-CE2 3.85Å; K74-Y383 WeakPolarHBondContact CE-OH 3.16Å; K74-Y383 HydrophobicContact CG-CD2 3.34Å; K74-Y383 HydrophobicContact CG-CE2 3.28Å; K74-Y383 HydrophobicContact CG-CG 4.33Å; K74-Y383 PolarHBondContact NZ-OH 3.15Å; K74-C386 HydrophobicContact CB-CB 4.09Å; K74-Q387 HydrophobicContact CD-CB 4.44Å
75G87.5Confident92.1Very high66 Ų6671.9 Ų71.968%0.6838%0.38SS*.Hα-helixtrans-64.6-26.9-179.900000113.5R72 T73R72-G75 PolarHBondContact O-N 3.19Å; T73-G75 VanDerWaalsContact C-N 3.26Å; T73-G75 PolarHBondContact O-N 3.27Å
76D89.9Confident92.3Very high127 Ų12766 Ų6668%0.67935%0.352SS*.THydrogen-bonded Turntrans-82.2-12.8-177.3-61.5-33.1000113.4T73 K74 P78T73-D76 PolarHBondContact O-N 2.81Å; T73-D76 VanDerWaalsContact O-N 3.16Å; K74-D76 PolarHBondContact O-N 3.36Å; D76-P78 VanDerWaalsContact O-CD 3.25Å; D76-P78 WeakPolarHBondContact O-CD 3.49Å
77I88.2Confident92.4Very high43 Ų4363 Ų6322%0.22134%0.338CS..  trans-89.7109.5-179.2-47.2176.3000109.6K74 I79 A379K74-I77 PolarHBondContact O-N 3.06Å; I77-I79 VanDerWaalsContact C-N 3.28Å; I77-I79 HydrophobicContact CB-CD1 4.17Å; I77-I79 HydrophobicContact CB-CG1 4.14Å; I77-I79 HydrophobicContact CG2-CD1 3.96Å; I77-I79 HydrophobicContact CG2-CG1 3.54Å; I77-I79 PolarHBondContact O-N 3.45Å; I77-A379 HydrophobicContact CG2-CB 4.49Å
78P90.6Very high92.5Very high83 Ų8366.2 Ų66.254%0.53936%0.36SS..  trans-81.966.8-173.635.3-37.9000112.3D76 F81 L82D76-P78 VanDerWaalsContact O-CD 3.25Å; D76-P78 WeakPolarHBondContact O-CD 3.49Å; P78-F81 HydrophobicContact CB-CB 4.44Å; P78-F81 PolarHBondContact O-N 3.03Å; P78-L82 WeakPolarHBondContact O-CB 3.46Å; P78-L82 PolarHBondContact O-N 3.32Å
79I90.9Very high92.7Very high7 Ų762.5 Ų62.54%0.03635%0.353CS..Hα-helixtrans-72.9-42.7-166.3-62.7151000112.4I77 F81 L82 L83 V380 Y383 L420I77-I79 VanDerWaalsContact C-N 3.28Å; I77-I79 HydrophobicContact CB-CD1 4.17Å; I77-I79 HydrophobicContact CB-CG1 4.14Å; I77-I79 HydrophobicContact CG2-CD1 3.96Å; I77-I79 HydrophobicContact CG2-CG1 3.54Å; I77-I79 PolarHBondContact O-N 3.45Å; I79-F81 PolarHBondContact O-N 3.03Å; I79-L82 PolarHBondContact O-N 2.88Å; I79-L83 HydrophobicContact CG2-CB 4.32Å; I79-L83 HydrophobicContact CG2-CD2 4.43Å; I79-L83 WeakPolarHBondContact O-CA 3.35Å; I79-L83 WeakPolarHBondContact O-CB 3.41Å; I79-L83 PolarHBondContact O-N 3.37Å; I79-V380 HydrophobicContact CG2-CG2 3.99Å; I79-Y383 HydrophobicContact CD1-CD1 3.68Å; I79-Y383 HydrophobicContact CD1-CD2 2.87Å; I79-Y383 HydrophobicContact CD1-CE1 4.21Å; I79-Y383 HydrophobicContact CD1-CE2 3.4Å; I79-Y383 HydrophobicContact CD1-CG 2.95Å; I79-Y383 HydrophobicContact CG1-CD2 4.31Å; I79-Y383 HydrophobicContact CG1-CG 4.37Å; I79-L420 HydrophobicContact CG2-CD1 4.4Å; I79-L420 HydrophobicContact CG2-CD2 3.95Å
80S91Very high92.7Very high79 Ų7956.7 Ų56.755%0.55233%0.327SS*.Hα-helixtrans-60.3-36.4-179.7-57.40000111.5G84S80-G84 PolarHBondContact O-N 2.87Å
81F92.7Very high92.7Very high142 Ų14259.6 Ų59.662%0.62334%0.341SS*.Hα-helixtrans-66.9-56.9174.2-179.4-91.4000110.9P78 I79 L83 G84 F85P78-F81 HydrophobicContact CB-CB 4.44Å; P78-F81 PolarHBondContact O-N 3.03Å; I79-F81 PolarHBondContact O-N 3.03Å; F81-L83 PolarHBondContact O-N 3.43Å; F81-G84 PolarHBondContact O-N 3.1Å; F81-F85 HydrophobicContact CD1-CD2 4.03Å; F81-F85 HydrophobicContact CD1-CE2 4.06Å; F81-F85 HydrophobicContact CD2-CD2 4.41Å; F81-F85 AromaticContact CD2-CE2 3.78Å; F81-F85 HydrophobicContact CD2-CE2 3.78Å; F81-F85 AromaticContact CE1-CD2 3.84Å; F81-F85 HydrophobicContact CE1-CD2 3.84Å; F81-F85 AromaticContact CE1-CE2 3.63Å; F81-F85 HydrophobicContact CE1-CE2 3.63Å; F81-F85 HydrophobicContact CE2-CD2 4.28Å; F81-F85 AromaticContact CE2-CE2 3.36Å; F81-F85 HydrophobicContact CE2-CE2 3.36Å; F81-F85 HydrophobicContact CE2-CZ 4.14Å; F81-F85 HydrophobicContact CG-CD2 4.32Å; F81-F85 HydrophobicContact CG-CE2 4.12Å; F81-F85 AromaticContact CZ-CD2 3.97Å; F81-F85 HydrophobicContact CZ-CD2 3.97Å; F81-F85 AromaticContact CZ-CE2 3.26Å; F81-F85 HydrophobicContact CZ-CE2 3.26Å; F81-F85 HydrophobicContact CZ-CZ 4.06Å; F81-F85 VanDerWaalsContact O-CD2 3.27Å; F81-F85 WeakPolarHBondContact O-CD2 3.25Å; F81-F85 PolarHBondContact O-N 3.26Å; F81-F85 VanDerWaalsContact O-N 3.13Å
82L92.7Very high92.9Very high43 Ų4358.9 Ų58.923%0.22534%0.34CS..Hα-helixtrans-60.6-45.7-176.5-176.7148000112.4P78 I79 F86 V375 V376 A379P78-L82 WeakPolarHBondContact O-CB 3.46Å; P78-L82 PolarHBondContact O-N 3.32Å; I79-L82 PolarHBondContact O-N 2.88Å; L82-F86 PolarHBondContact O-N 2.88Å; L82-F86 VanDerWaalsContact O-N 3.14Å; L82-V375 HydrophobicContact CD1-CG1 4.27Å; L82-V376 HydrophobicContact CD2-CB 3.88Å; L82-V376 HydrophobicContact CD2-CG1 3.88Å; L82-V376 HydrophobicContact CD2-CG2 3.53Å; L82-A379 HydrophobicContact CD1-CB 4.42Å; L82-A379 HydrophobicContact CD2-CB 4.24Å
83L95.1Very high93Very high0 Ų054.4 Ų54.40%032%0.323CS..Hα-helixtrans-67.5-37177.8-171.859000111.5I79 F81 F86 V87 V376 V380 L420 W423 L424I79-L83 HydrophobicContact CG2-CB 4.32Å; I79-L83 HydrophobicContact CG2-CD2 4.43Å; I79-L83 WeakPolarHBondContact O-CA 3.35Å; I79-L83 WeakPolarHBondContact O-CB 3.41Å; I79-L83 PolarHBondContact O-N 3.37Å; F81-L83 PolarHBondContact O-N 3.43Å; L83-F86 HydrophobicContact CD1-CD1 4.34Å; L83-F86 PolarHBondContact O-N 3.28Å; L83-V87 HydrophobicContact CD1-CG2 4.01Å; L83-V87 HydrophobicContact CG-CG2 4.12Å; L83-V87 WeakPolarHBondContact O-CB 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.11Å; L83-V87 PolarHBondContact O-N 3.37Å; L83-V376 HydrophobicContact CD1-CG1 3.82Å; L83-V380 HydrophobicContact CD1-CG2 4.38Å; L83-V380 HydrophobicContact CD2-CG2 4.44Å; L83-L420 HydrophobicContact CD2-CD2 4.18Å; L83-L420 WeakPolarHBondContact CD2-O 3.44Å; L83-W423 HydrophobicContact CD2-CB 3.96Å; L83-W423 HydrophobicContact CD2-CD2 4.06Å; L83-W423 HydrophobicContact CD2-CE3 3.76Å; L83-W423 HydrophobicContact CD2-CG 4.16Å; L83-W423 HydrophobicContact CG-CD2 4.13Å; L83-W423 HydrophobicContact CG-CE3 4.08Å; L83-W423 HydrophobicContact CG-CG 4.32Å; L83-L424 HydrophobicContact CD1-CB 4.04Å; L83-L424 HydrophobicContact CD1-CD1 4.17Å
84G95.8Very high93.1Very high19 Ų1955.8 Ų55.820%0.19632%0.324CS..Hα-helixtrans-59.4-48.4175.600000112.8S80 F81 S88S80-G84 PolarHBondContact O-N 2.87Å; F81-G84 PolarHBondContact O-N 3.1Å; G84-S88 VanDerWaalsContact O-CB 3.29Å; G84-S88 WeakPolarHBondContact O-CB 3.29Å; G84-S88 PolarHBondContact O-N 3.38Å
85F95.1Very high93.4Very high121 Ų12159.4 Ų59.453%0.53134%0.337SS..Hα-helixtrans-62.8-43.1175.1-79.9-74.5000112.3F81 S88 G89F81-F85 HydrophobicContact CD1-CD2 4.03Å; F81-F85 HydrophobicContact CD1-CE2 4.06Å; F81-F85 HydrophobicContact CD2-CD2 4.41Å; F81-F85 AromaticContact CD2-CE2 3.78Å; F81-F85 HydrophobicContact CD2-CE2 3.78Å; F81-F85 AromaticContact CE1-CD2 3.84Å; F81-F85 HydrophobicContact CE1-CD2 3.84Å; F81-F85 AromaticContact CE1-CE2 3.63Å; F81-F85 HydrophobicContact CE1-CE2 3.63Å; F81-F85 HydrophobicContact CE2-CD2 4.28Å; F81-F85 AromaticContact CE2-CE2 3.36Å; F81-F85 HydrophobicContact CE2-CE2 3.36Å; F81-F85 HydrophobicContact CE2-CZ 4.14Å; F81-F85 HydrophobicContact CG-CD2 4.32Å; F81-F85 HydrophobicContact CG-CE2 4.12Å; F81-F85 AromaticContact CZ-CD2 3.97Å; F81-F85 HydrophobicContact CZ-CD2 3.97Å; F81-F85 AromaticContact CZ-CE2 3.26Å; F81-F85 HydrophobicContact CZ-CE2 3.26Å; F81-F85 HydrophobicContact CZ-CZ 4.06Å; F81-F85 VanDerWaalsContact O-CD2 3.27Å; F81-F85 WeakPolarHBondContact O-CD2 3.25Å; F81-F85 PolarHBondContact O-N 3.26Å; F81-F85 VanDerWaalsContact O-N 3.13Å; F85-S88 PolarHBondContact O-N 3.22Å; F85-G89 PolarHBondContact O-N 3.34Å
86F96.2Very high93.7Very high1 Ų158.9 Ų58.90%0.00432%0.317CS..Hα-helixtrans-59.4-53.8178.4178.6-109.4000111.2L82 L83 S88 G89 I90 Y372 T373 V376 L424 A427 L428 M431L82-F86 PolarHBondContact O-N 2.88Å; L82-F86 VanDerWaalsContact O-N 3.14Å; L83-F86 HydrophobicContact CD1-CD1 4.34Å; L83-F86 PolarHBondContact O-N 3.28Å; F86-S88 VanDerWaalsContact C-N 3.35Å; F86-S88 PolarHBondContact O-N 3.02Å; F86-G89 PolarHBondContact O-N 3.23Å; F86-I90 HydrophobicContact CD1-CG1 4.38Å; F86-I90 HydrophobicContact CD2-CG1 4.3Å; F86-I90 HydrophobicContact CE1-CD1 4.19Å; F86-I90 HydrophobicContact CE1-CG1 4.16Å; F86-I90 HydrophobicContact CE2-CD1 3.84Å; F86-I90 HydrophobicContact CE2-CG1 4.08Å; F86-I90 HydrophobicContact CG-CG1 4.46Å; F86-I90 HydrophobicContact CZ-CD1 3.64Å; F86-I90 HydrophobicContact CZ-CG1 4Å; F86-I90 WeakPolarHBondContact O-CG1 3.42Å; F86-I90 PolarHBondContact O-N 3Å; F86-I90 VanDerWaalsContact O-N 3.09Å; F86-Y372 WeakPolarHBondContact CA-OH 3.36Å; F86-Y372 HydrophobicContact CD2-CD1 4.05Å; F86-Y372 AromaticContact CD2-CE1 3.72Å; F86-Y372 HydrophobicContact CD2-CE1 3.72Å; F86-Y372 HydrophobicContact CE2-CD1 4.42Å; F86-Y372 HydrophobicContact CE2-CE1 4.49Å; F86-Y372 PolarHBondContact N-OH 3.47Å; F86-T373 HydrophobicContact CZ-CG2 4.22Å; F86-V376 HydrophobicContact CB-CG1 4.2Å; F86-V376 HydrophobicContact CB-CG2 3.74Å; F86-V376 HydrophobicContact CD1-CB 4.39Å; F86-V376 HydrophobicContact CD1-CG1 3.79Å; F86-V376 HydrophobicContact CD1-CG2 4.29Å; F86-V376 HydrophobicContact CD2-CB 4.4Å; F86-V376 HydrophobicContact CD2-CG2 3.66Å; F86-V376 HydrophobicContact CE1-CG1 4.3Å; F86-V376 HydrophobicContact CE2-CG2 4.31Å; F86-V376 HydrophobicContact CG-CB 4.21Å; F86-V376 HydrophobicContact CG-CG1 3.95Å; F86-V376 HydrophobicContact CG-CG2 3.63Å; F86-L424 HydrophobicContact CE1-CD1 4.19Å; F86-A427 HydrophobicContact CD1-CB 4.12Å; F86-A427 HydrophobicContact CE1-CB 3.85Å; F86-L428 HydrophobicContact CE1-CD2 4.44Å; F86-L428 HydrophobicContact CZ-CD2 4.34Å; F86-M431 HydrophobicContact CZ-SD 4.31Å
87V96.2Very high93.9Very high10 Ų1053.1 Ų53.16%0.06129%0.286CS..Hα-helixtrans-62.6-43-178.7178.50000110.8L83 G89 I90 I91 W423 A427L83-V87 HydrophobicContact CD1-CG2 4.01Å; L83-V87 HydrophobicContact CG-CG2 4.12Å; L83-V87 WeakPolarHBondContact O-CB 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.11Å; L83-V87 PolarHBondContact O-N 3.37Å; V87-G89 VanDerWaalsContact C-N 3.31Å; V87-G89 PolarHBondContact O-N 3.49Å; V87-I90 PolarHBondContact O-N 3.04Å; V87-I91 HydrophobicContact CG1-CG1 3.87Å; V87-I91 WeakPolarHBondContact O-CB 3.32Å; V87-I91 VanDerWaalsContact O-CG1 3.3Å; V87-I91 WeakPolarHBondContact O-CG1 3.2Å; V87-I91 PolarHBondContact O-N 2.85Å; V87-W423 HydrophobicContact CG2-CD2 4.32Å; V87-W423 HydrophobicContact CG2-CG 3.96Å; V87-A427 HydrophobicContact CB-CB 4.28Å; V87-A427 HydrophobicContact CG1-CB 4.3Å; V87-A427 HydrophobicContact CG2-CB 3.74Å
88S95.9Very high94.1Very high80 Ų8056 Ų5656%0.55930%0.295SS*.Hα-helixtrans-58.6-42.7178.1-174.50000112.3G84 F85 F86 S92G84-S88 VanDerWaalsContact O-CB 3.29Å; G84-S88 WeakPolarHBondContact O-CB 3.29Å; G84-S88 PolarHBondContact O-N 3.38Å; F85-S88 PolarHBondContact O-N 3.22Å; F86-S88 VanDerWaalsContact C-N 3.35Å; F86-S88 PolarHBondContact O-N 3.02Å; S88-S92 WeakPolarHBondContact O-CB 3.16Å; S88-S92 PolarHBondContact O-N 3.36Å; S88-S92 VanDerWaalsContact O-N 3.07Å
89G94.5Very high94.4Very high36 Ų3656.3 Ų56.337%0.37129%0.292SS..Hα-helixtrans-64.9-41.3177.500000112.4F85 F86 V87 S92 R93F85-G89 PolarHBondContact O-N 3.34Å; F86-G89 PolarHBondContact O-N 3.23Å; V87-G89 VanDerWaalsContact C-N 3.31Å; V87-G89 PolarHBondContact O-N 3.49Å; G89-S92 PolarHBondContact O-N 2.85Å; G89-R93 WeakPolarHBondContact O-CG 3.46Å; G89-R93 PolarHBondContact O-N 2.89Å; G89-R93 VanDerWaalsContact O-N 3.12Å
90I95.3Very high94.6Very high4 Ų458.6 Ų58.62%0.02130%0.3CS..Hα-helixtrans-65.7-49.3179.8-62.2-96.6000111F86 V87 S92 R93 W94 I368 A427 V430 M431F86-I90 HydrophobicContact CD1-CG1 4.38Å; F86-I90 HydrophobicContact CD2-CG1 4.3Å; F86-I90 HydrophobicContact CE1-CD1 4.19Å; F86-I90 HydrophobicContact CE1-CG1 4.16Å; F86-I90 HydrophobicContact CE2-CD1 3.84Å; F86-I90 HydrophobicContact CE2-CG1 4.08Å; F86-I90 HydrophobicContact CG-CG1 4.46Å; F86-I90 HydrophobicContact CZ-CD1 3.64Å; F86-I90 HydrophobicContact CZ-CG1 4Å; F86-I90 WeakPolarHBondContact O-CG1 3.42Å; F86-I90 PolarHBondContact O-N 3Å; F86-I90 VanDerWaalsContact O-N 3.09Å; V87-I90 PolarHBondContact O-N 3.04Å; I90-S92 VanDerWaalsContact C-N 3.3Å; I90-S92 PolarHBondContact O-N 3.4Å; I90-R93 PolarHBondContact O-N 3.4Å; I90-R93 VanDerWaalsContact O-N 3.15Å; I90-W94 PolarHBondContact O-N 3.45Å; I90-I368 HydrophobicContact CD1-CD1 3.18Å; I90-I368 HydrophobicContact CG1-CD1 3.78Å; I90-A427 HydrophobicContact CB-CB 4.38Å; I90-A427 HydrophobicContact CG1-CB 4.4Å; I90-A427 HydrophobicContact CG2-CB 4.2Å; I90-A427 VanDerWaalsContact CG2-O 3.32Å; I90-A427 WeakPolarHBondContact CG2-O 3.47Å; I90-V430 HydrophobicContact CG2-CG2 3.57Å; I90-M431 HydrophobicContact CD1-CG 3.36Å; I90-M431 HydrophobicContact CD1-SD 3.46Å; I90-M431 WeakPolarHBondContact CD1-SD 3.33Å; I90-M431 HydrophobicContact CG2-CG 4.05Å
91I94.8Very high94.9Very high71 Ų7155.2 Ų55.236%0.36428%0.276SS..Hα-helixtrans-62.8-38.8179.3-66.1-67.8000110.9V87 R93 W94 Y95 V430V87-I91 HydrophobicContact CG1-CG1 3.87Å; V87-I91 WeakPolarHBondContact O-CB 3.32Å; V87-I91 VanDerWaalsContact O-CG1 3.3Å; V87-I91 WeakPolarHBondContact O-CG1 3.2Å; V87-I91 PolarHBondContact O-N 2.85Å; I91-R93 PolarHBondContact O-N 2.68Å; I91-W94 PolarHBondContact O-N 3.22Å; I91-Y95 WeakPolarHBondContact O-CB 3.07Å; I91-Y95 PolarHBondContact O-N 3.32Å; I91-V430 HydrophobicContact CD1-CG2 4.02Å
92S95.8Very high95Very high66 Ų6648.8 Ų48.846%0.46225%0.248SC..Hα-helixtrans-59.1-46.4173.8-178.10000111.6S88 G89 I90 Y95 Q96S88-S92 WeakPolarHBondContact O-CB 3.16Å; S88-S92 PolarHBondContact O-N 3.36Å; S88-S92 VanDerWaalsContact O-N 3.07Å; G89-S92 PolarHBondContact O-N 2.85Å; I90-S92 VanDerWaalsContact C-N 3.3Å; I90-S92 PolarHBondContact O-N 3.4Å; S92-Y95 PolarHBondContact O-N 2.94Å; S92-Q96 WeakPolarHBondContact O-CG 3.48Å; S92-Q96 PolarHBondContact O-N 2.92Å
93R93.3Very high95.1Very high60 Ų6052 Ų5223%0.22626%0.258CS..Hα-helixtrans-64.4-42.6176-71.3-178.564.782.86.7112.8G89 I90 I91 Y95 Q96 M97 Y363 I366G89-R93 WeakPolarHBondContact O-CG 3.46Å; G89-R93 PolarHBondContact O-N 2.89Å; G89-R93 VanDerWaalsContact O-N 3.12Å; I90-R93 PolarHBondContact O-N 3.4Å; I90-R93 VanDerWaalsContact O-N 3.15Å; I91-R93 PolarHBondContact O-N 2.68Å; R93-Y95 VanDerWaalsContact C-N 3.28Å; R93-Y95 PolarHBondContact O-N 3.29Å; R93-Q96 WeakPolarHBondContact O-CB 3.47Å; R93-Q96 PolarHBondContact O-N 3.46Å; R93-M97 HydrophobicContact CB-CE 4.28Å; R93-M97 WeakPolarHBondContact O-CG 3.04Å; R93-M97 PolarHBondContact O-N 3.01Å; R93-Y363 PolarHBondContact NH2-O 2.97Å; R93-I366 PolarHBondContact NH2-O 3.3Å
94W94.2Very high95.2Very high68 Ų6852 Ų5226%0.25826%0.258SS..Hα-helixtrans-58-43.9175.8177.190.2000111I90 I91 Q96 M97 Y98 V430 F441I90-W94 PolarHBondContact O-N 3.45Å; I91-W94 PolarHBondContact O-N 3.22Å; W94-Q96 PolarHBondContact O-N 3.44Å; W94-M97 PolarHBondContact O-N 2.76Å; W94-Y98 PolarHBondContact O-N 3Å; W94-V430 HydrophobicContact CG-CB 4.16Å; W94-F441 HydrophobicContact CD2-CZ 4.4Å; W94-F441 AromaticContact CE2-CE1 3.72Å; W94-F441 AromaticContact CE2-CZ 3.71Å; W94-F441 HydrophobicContact CH2-CE1 4.3Å; W94-F441 AromaticContact CZ2-CE1 3.47Å; W94-F441 HydrophobicContact CZ2-CE1 3.47Å; W94-F441 VanDerWaalsContact CZ2-CE1 3.47Å; W94-F441 AromaticContact CZ2-CZ 3.92Å; W94-F441 HydrophobicContact CZ2-CZ 3.92Å; W94-F441 AromaticContact NE1-CE1 3.81Å; W94-F441 AromaticContact NE1-CZ 3.61Å
95Y95Very high95.2Very high122 Ų12253.3 Ų53.348%0.47826%0.26SS..Hα-helixtrans-64.7-39.3177-169.4-109.1000112.3I91 S92 R93 Y98 L99I91-Y95 WeakPolarHBondContact O-CB 3.07Å; I91-Y95 PolarHBondContact O-N 3.32Å; S92-Y95 PolarHBondContact O-N 2.94Å; R93-Y95 VanDerWaalsContact C-N 3.28Å; R93-Y95 PolarHBondContact O-N 3.29Å; Y95-Y98 HydrophobicContact CD2-CD1 4.21Å; Y95-Y98 HydrophobicContact CE2-CD1 4.12Å; Y95-Y98 HydrophobicContact CE2-CE1 4.41Å; Y95-Y98 WeakPolarHBondContact O-CB 3.14Å; Y95-Y98 PolarHBondContact O-N 2.81Å; Y95-L99 HydrophobicContact CD1-CD1 3.77Å; Y95-L99 HydrophobicContact CD1-CG 4.27Å; Y95-L99 HydrophobicContact CE1-CD1 3.46Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.46Å; Y95-L99 HydrophobicContact CE1-CD2 4.37Å; Y95-L99 HydrophobicContact CE1-CG 4.02Å; Y95-L99 WeakPolarHBondContact O-CG 3.48Å; Y95-L99 PolarHBondContact O-N 3.38Å
96Q94Very high95.2Very high54 Ų5454.1 Ų54.125%0.25227%0.265SS..Hα-helixtrans-60.8-45.3172.7-68.4-64.5-33.800111.7S92 R93 W94 Y98 L99 Y100 Y363S92-Q96 WeakPolarHBondContact O-CG 3.48Å; S92-Q96 PolarHBondContact O-N 2.92Å; R93-Q96 WeakPolarHBondContact O-CB 3.47Å; R93-Q96 PolarHBondContact O-N 3.46Å; W94-Q96 PolarHBondContact O-N 3.44Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3.27Å; Q96-L99 PolarHBondContact O-N 2.68Å; Q96-Y100 HydrophobicContact CB-CD2 4.48Å; Q96-Y100 HydrophobicContact CB-CE2 4.04Å; Q96-Y100 WeakPolarHBondContact O-CD2 3.34Å; Q96-Y100 PolarHBondContact O-N 3.34Å; Q96-Y100 VanDerWaalsContact O-N 3.09Å; Q96-Y100 PolarHBondContact OE1-OH 2.88Å; Q96-Y100 VanDerWaalsContact OE1-OH 3.09Å; Q96-Y363 HydrophobicContact CB-CD1 4.21Å; Q96-Y363 HydrophobicContact CB-CE1 3.67Å; Q96-Y363 HydrophobicContact CB-CE2 4.48Å; Q96-Y363 HydrophobicContact CG-CE1 4.08Å
97M93.9Very high95.2Very high6 Ų654.2 Ų54.23%0.0327%0.266CS..Hα-helixtrans-60.2-43.4176.3-68.4-177.4-134.400111.8R93 W94 L99 Y100 I101 L360 Y363 P433 F434 F441R93-M97 HydrophobicContact CB-CE 4.28Å; R93-M97 WeakPolarHBondContact O-CG 3.04Å; R93-M97 PolarHBondContact O-N 3.01Å; W94-M97 PolarHBondContact O-N 2.76Å; M97-L99 PolarHBondContact O-N 2.84Å; M97-Y100 PolarHBondContact O-N 3.35Å; M97-I101 WeakPolarHBondContact O-CG1 3.43Å; M97-I101 PolarHBondContact O-N 3.27Å; M97-L360 HydrophobicContact CB-CD1 4.14Å; M97-L360 WeakPolarHBondContact O-CD1 3.28Å; M97-Y363 HydrophobicContact CG-CD1 4.45Å; M97-Y363 HydrophobicContact CG-CG 4.36Å; M97-P433 HydrophobicContact SD-CG 3.75Å; M97-F434 HydrophobicContact CB-CE2 4.31Å; M97-F434 HydrophobicContact SD-CE2 4.08Å; M97-F441 HydrophobicContact CB-CE2 4.48Å
98Y94.1Very high95.3Very high104 Ų10453.7 Ų53.741%0.40826%0.263SS..Hα-helixtrans-56.1-48.2174.3166.1-104.5000112.1W94 Y95 Q96 Y100 I101 F441W94-Y98 PolarHBondContact O-N 3Å; Y95-Y98 HydrophobicContact CD2-CD1 4.21Å; Y95-Y98 HydrophobicContact CE2-CD1 4.12Å; Y95-Y98 HydrophobicContact CE2-CE1 4.41Å; Y95-Y98 WeakPolarHBondContact O-CB 3.14Å; Y95-Y98 PolarHBondContact O-N 2.81Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3.27Å; Y98-Y100 VanDerWaalsContact C-N 3.29Å; Y98-Y100 PolarHBondContact O-N 2.97Å; Y98-I101 PolarHBondContact O-N 3.26Å; Y98-F441 HydrophobicContact CD2-CE1 4.24Å
99L95.3Very high95.3Very high89 Ų8954.9 Ų54.947%0.46626%0.263SS..Hα-helixtrans-66.9-26.9-178.8-70.1177.5000113.7Y95 Q96 M97Y95-L99 HydrophobicContact CD1-CD1 3.77Å; Y95-L99 HydrophobicContact CD1-CG 4.27Å; Y95-L99 HydrophobicContact CE1-CD1 3.46Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.46Å; Y95-L99 HydrophobicContact CE1-CD2 4.37Å; Y95-L99 HydrophobicContact CE1-CG 4.02Å; Y95-L99 WeakPolarHBondContact O-CG 3.48Å; Y95-L99 PolarHBondContact O-N 3.38Å; Q96-L99 PolarHBondContact O-N 2.68Å; M97-L99 PolarHBondContact O-N 2.84Å
100Y95.6Very high95.3Very high56 Ų5654.6 Ų54.622%0.2225%0.252CS..THydrogen-bonded Turntrans-86.5-1.9179-66.2-48.8000114.4Q96 M97 Y98 P102 N359 Y363Q96-Y100 HydrophobicContact CB-CD2 4.48Å; Q96-Y100 HydrophobicContact CB-CE2 4.04Å; Q96-Y100 WeakPolarHBondContact O-CD2 3.34Å; Q96-Y100 PolarHBondContact O-N 3.34Å; Q96-Y100 VanDerWaalsContact O-N 3.09Å; Q96-Y100 PolarHBondContact OE1-OH 2.88Å; Q96-Y100 VanDerWaalsContact OE1-OH 3.09Å; M97-Y100 PolarHBondContact O-N 3.35Å; Y98-Y100 VanDerWaalsContact C-N 3.29Å; Y98-Y100 PolarHBondContact O-N 2.97Å; Y100-P102 WeakPolarHBondContact O-CD 3.46Å; Y100-P102 VanDerWaalsContact O-N 3.16Å; Y100-N359 HydrophobicContact CD1-CB 3.8Å; Y100-N359 HydrophobicContact CD2-CB 3.71Å; Y100-N359 HydrophobicContact CE1-CB 4.03Å; Y100-N359 WeakPolarHBondContact CE1-ND2 3.27Å; Y100-N359 HydrophobicContact CE2-CB 3.98Å; Y100-N359 HydrophobicContact CG-CB 3.66Å; Y100-Y363 HydrophobicContact CD2-CD2 4.08Å; Y100-Y363 HydrophobicContact CD2-CE2 4.13Å; Y100-Y363 AromaticContact CE2-CD2 3.91Å; Y100-Y363 HydrophobicContact CE2-CD2 3.91Å; Y100-Y363 AromaticContact CE2-CE2 3.48Å; Y100-Y363 HydrophobicContact CE2-CE2 3.48Å; Y100-Y363 VanDerWaalsContact CE2-CE2 3.48Å
101I97.1Very high95.4Very high8 Ų854.4 Ų54.44%0.04125%0.251CS..SBendtrans-64.1114.7172.7-63.4176.3000108.6M97 Y98 W103 W138 L360 F441 I446M97-I101 WeakPolarHBondContact O-CG1 3.43Å; M97-I101 PolarHBondContact O-N 3.27Å; Y98-I101 PolarHBondContact O-N 3.26Å; I101-W103 PolarHBondContact O-N 2.93Å; I101-W103 PolarHBondContact O-NE1 3.13Å; I101-W138 HydrophobicContact CG2-CH2 4.28Å; I101-W138 HydrophobicContact CG2-CZ2 4.13Å; I101-L360 HydrophobicContact CG1-CD2 4.49Å; I101-F441 HydrophobicContact CD1-CD2 3.87Å; I101-F441 HydrophobicContact CD1-CE2 4.05Å; I101-F441 HydrophobicContact CD1-CG 4.21Å; I101-I446 HydrophobicContact CD1-CD1 4.19Å; I101-I446 HydrophobicContact CG2-CD1 4.48Å; I101-I446 HydrophobicContact CG2-CG2 3.83Å
102P94.5Very high95.4Very high7 Ų752.3 Ų52.35%0.04524%0.244CC..  trans-71.9129.6179.630.8-35.8000111.1Y100 M104 W138 V353 M357 N450Y100-P102 WeakPolarHBondContact O-CD 3.46Å; Y100-P102 VanDerWaalsContact O-N 3.16Å; P102-M104 HydrophobicContact CB-CE 4.44Å; P102-W138 HydrophobicContact CG-CD2 3.84Å; P102-W138 HydrophobicContact CG-CE3 3.37Å; P102-W138 HydrophobicContact CG-CH2 3.74Å; P102-W138 HydrophobicContact CG-CZ2 4.16Å; P102-W138 HydrophobicContact CG-CZ3 3.33Å; P102-V353 HydrophobicContact CB-CG1 4.05Å; P102-M357 HydrophobicContact CG-CG 3.9Å; P102-N450 PolarHBondContact O-ND2 3.35Å
103W95.6Very high95.2Very high110 Ų11052.7 Ų52.742%0.41725%0.246SC..  trans-102.1131.6170.8-60.891.2000109.4I101 N105 I446 Y449I101-W103 PolarHBondContact O-N 2.93Å; I101-W103 PolarHBondContact O-NE1 3.13Å; W103-N105 VanDerWaalsContact C-N 3.27Å; W103-N105 PolarHBondContact O-N 3.44Å; W103-I446 HydrophobicContact CH2-CG1 4.29Å; W103-I446 HydrophobicContact CH2-CG2 4.43Å; W103-I446 HydrophobicContact CZ3-CG2 4.37Å; W103-Y449 AromaticContact CE3-CD1 3.59Å; W103-Y449 HydrophobicContact CE3-CD1 3.59Å; W103-Y449 AromaticContact CE3-CE1 3.59Å; W103-Y449 HydrophobicContact CE3-CE1 3.59Å; W103-Y449 AromaticContact CZ3-CD1 3.59Å; W103-Y449 HydrophobicContact CZ3-CD1 3.59Å; W103-Y449 AromaticContact CZ3-CE1 3.86Å; W103-Y449 HydrophobicContact CZ3-CE1 3.86Å; W103-Y449 HydrophobicContact CZ3-CG 4.29Å
104M96.8Very high95.2Very high0 Ų050.1 Ų50.10%024%0.238CC..Hα-helixtrans-80.2-5.6-174.1-65.3-62.1159.600113.9P102 I107 A108 M131 M134 W138 V353 N450 V453P102-M104 HydrophobicContact CB-CE 4.44Å; M104-I107 HydrophobicContact CB-CG2 4.45Å; M104-I107 VanDerWaalsContact O-CG2 3.29Å; M104-I107 WeakPolarHBondContact O-CG2 3.41Å; M104-I107 HydrophobicContact SD-CG2 3.93Å; M104-A108 WeakPolarHBondContact O-CB 3.44Å; M104-A108 PolarHBondContact O-N 3.03Å; M104-M131 HydrophobicContact CB-CE 4.08Å; M104-M131 HydrophobicContact CG-CE 4.43Å; M104-M131 HydrophobicContact SD-CE 4.2Å; M104-M134 HydrophobicContact SD-CB 4.18Å; M104-W138 HydrophobicContact CE-CB 3.78Å; M104-W138 HydrophobicContact CE-CG 4.07Å; M104-V353 HydrophobicContact CE-CG1 4.14Å; M104-N450 HydrophobicContact CB-CB 4.17Å; M104-N450 HydrophobicContact CG-CB 3.7Å; M104-N450 PolarHBondContact N-OD1 2.93Å; M104-V453 HydrophobicContact CB-CG1 4.39Å
105N95Very high95.2Very high47 Ų4746.9 Ų46.925%0.25123%0.225SC..Hα-helixtrans-56.8-56.9-177.3-58.5-5.5000112.5W103 I107 A108 L109 Y449 V453W103-N105 VanDerWaalsContact C-N 3.27Å; W103-N105 PolarHBondContact O-N 3.44Å; N105-I107 PolarHBondContact O-N 3.04Å; N105-A108 PolarHBondContact O-N 3.04Å; N105-L109 WeakPolarHBondContact O-CB 3.14Å; N105-L109 WeakPolarHBondContact O-CG 3.25Å; N105-L109 PolarHBondContact O-N 3.06Å; N105-Y449 PolarHBondContact ND2-OH 3.36Å; N105-Y449 VanDerWaalsContact OD1-CE1 3.26Å; N105-Y449 WeakPolarHBondContact OD1-CE1 3.34Å; N105-Y449 PolarHBondContact OD1-OH 2.89Å; N105-V453 WeakPolarHBondContact OD1-CG1 3.48Å; N105-V453 WeakPolarHBondContact OD1-CG2 3.41Å
106Q95.1Very high94.9Very high137 Ų13742.8 Ų42.864%0.6421%0.212SC*.Hα-helixtrans-63.9-45.5-171.5-179.3177.6-20.900111Q110Q106-Q110 WeakPolarHBondContact O-CB 3.22Å; Q106-Q110 PolarHBondContact O-N 2.99Å
107I97.6Very high94.6Very high3 Ų340.4 Ų40.42%0.01520%0.201CC..Hα-helixtrans-69.3-36.9179.6-170.9166.5000111.9M104 N105 Q110 I111 M131 M134 I350 V353M104-I107 HydrophobicContact CB-CG2 4.45Å; M104-I107 VanDerWaalsContact O-CG2 3.29Å; M104-I107 WeakPolarHBondContact O-CG2 3.41Å; M104-I107 HydrophobicContact SD-CG2 3.93Å; N105-I107 PolarHBondContact O-N 3.04Å; I107-Q110 PolarHBondContact O-N 3.44Å; I107-I111 HydrophobicContact CD1-CD1 4.41Å; I107-I111 HydrophobicContact CG1-CD1 3.71Å; I107-I111 HydrophobicContact CG1-CG1 4.39Å; I107-I111 WeakPolarHBondContact O-CB 3.32Å; I107-I111 WeakPolarHBondContact O-CD1 3.41Å; I107-I111 VanDerWaalsContact O-CG1 3.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.35Å; I107-I111 PolarHBondContact O-N 3.37Å; I107-M131 HydrophobicContact CG2-CE 4.1Å; I107-M134 HydrophobicContact CD1-CE 3.73Å; I107-M134 HydrophobicContact CD1-CG 4.21Å; I107-M134 HydrophobicContact CD1-SD 4.36Å; I107-I350 HydrophobicContact CD1-CB 4.32Å; I107-I350 HydrophobicContact CD1-CG1 3.8Å; I107-V353 HydrophobicContact CB-CG2 4.21Å; I107-V353 HydrophobicContact CD1-CB 4.32Å; I107-V353 HydrophobicContact CD1-CG2 3.73Å; I107-V353 HydrophobicContact CG2-CG2 4.24Å
108A97.7Very high94.3Very high0 Ų046.1 Ų46.10%023%0.226CC..Hα-helixtrans-67-45.7178.300000112.1M104 N105 Q110 I111 A112 M131 V458M104-A108 WeakPolarHBondContact O-CB 3.44Å; M104-A108 PolarHBondContact O-N 3.03Å; N105-A108 PolarHBondContact O-N 3.04Å; A108-Q110 VanDerWaalsContact C-N 3.32Å; A108-Q110 PolarHBondContact O-N 3.14Å; A108-I111 PolarHBondContact O-N 2.92Å; A108-A112 WeakPolarHBondContact O-CB 3.41Å; A108-A112 PolarHBondContact O-N 3.22Å; A108-M131 HydrophobicContact CB-CE 3.92Å; A108-M131 HydrophobicContact CB-CG 4.48Å; A108-M131 HydrophobicContact CB-SD 4.03Å; A108-V458 HydrophobicContact CB-CG1 4.38Å
109L95.2Very high94Very high105 Ų10543.1 Ų43.155%0.5522%0.22SC..Hα-helixtrans-61.7-42.3175.5-72.5172.7000111.5N105 A112 S113N105-L109 WeakPolarHBondContact O-CB 3.14Å; N105-L109 WeakPolarHBondContact O-CG 3.25Å; N105-L109 PolarHBondContact O-N 3.06Å; L109-A112 WeakPolarHBondContact O-CB 3.26Å; L109-A112 PolarHBondContact O-N 2.91Å; L109-S113 PolarHBondContact O-N 3.45Å; L109-S113 PolarHBondContact O-OG 2.92Å
110Q95.8Very high93.6Very high30 Ų3041.1 Ų41.114%0.1421%0.208CC..Hα-helixtrans-64.9-46.8177.2-168.6-154.7-1000111.5Q106 I107 A108 A112 S113 S114 Y345 T346 N349Q106-Q110 WeakPolarHBondContact O-CB 3.22Å; Q106-Q110 PolarHBondContact O-N 2.99Å; I107-Q110 PolarHBondContact O-N 3.44Å; A108-Q110 VanDerWaalsContact C-N 3.32Å; A108-Q110 PolarHBondContact O-N 3.14Å; Q110-A112 PolarHBondContact O-N 3.43Å; Q110-S113 WeakPolarHBondContact CA-OG 3.49Å; Q110-S113 CarbonylContact O-C 3.6Å; Q110-S113 PolarHBondContact O-N 2.83Å; Q110-S113 PolarHBondContact O-OG 3.32Å; Q110-S114 WeakPolarHBondContact O-CB 3.39Å; Q110-S114 PolarHBondContact O-N 2.95Å; Q110-S114 PolarHBondContact O-OG 2.91Å; Q110-S114 VanDerWaalsContact O-OG 3.07Å; Q110-Y345 PolarHBondContact NE2-O 3.32Å; Q110-T346 VanDerWaalsContact NE2-CA 3.34Å; Q110-N349 PolarHBondContact NE2-ND2 3.27Å; Q110-N349 PolarHBondContact OE1-ND2 3.43Å
111I97.5Very high93.3Very high0 Ų044.7 Ų44.70%023%0.227CC..Hα-helixtrans-59-38175.5-74.2162.1000111.2I107 A108 S114 I115 R127 I130 M131 T346 V458I107-I111 HydrophobicContact CD1-CD1 4.41Å; I107-I111 HydrophobicContact CG1-CD1 3.71Å; I107-I111 HydrophobicContact CG1-CG1 4.39Å; I107-I111 WeakPolarHBondContact O-CB 3.32Å; I107-I111 WeakPolarHBondContact O-CD1 3.41Å; I107-I111 VanDerWaalsContact O-CG1 3.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.35Å; I107-I111 PolarHBondContact O-N 3.37Å; A108-I111 PolarHBondContact O-N 2.92Å; I111-S114 PolarHBondContact O-N 3.3Å; I111-I115 HydrophobicContact CG2-CD1 4.12Å; I111-I115 PolarHBondContact O-N 3.06Å; I111-R127 HydrophobicContact CG2-CB 3.78Å; I111-R127 HydrophobicContact CG2-CG 3.76Å; I111-R127 WeakPolarHBondContact O-CD 3.31Å; I111-I130 HydrophobicContact CD1-CB 4.32Å; I111-I130 HydrophobicContact CD1-CG2 3.4Å; I111-I130 VanDerWaalsContact CD1-CG2 3.4Å; I111-I130 HydrophobicContact CG1-CG2 4.31Å; I111-M131 HydrophobicContact CD1-SD 3.46Å; I111-M131 WeakPolarHBondContact CD1-SD 3.43Å; I111-T346 HydrophobicContact CG1-CG2 4.14Å; I111-V458 HydrophobicContact CG2-CG1 4.34Å
112A93.7Very high93.1Very high26 Ų2644.9 Ų44.922%0.21523%0.231CC..Hα-helixtrans-56.6-46.717200000112.5A108 L109 Q110 R127A108-A112 WeakPolarHBondContact O-CB 3.41Å; A108-A112 PolarHBondContact O-N 3.22Å; L109-A112 WeakPolarHBondContact O-CB 3.26Å; L109-A112 PolarHBondContact O-N 2.91Å; Q110-A112 PolarHBondContact O-N 3.43Å; A112-R127 VanDerWaalsContact CA-CD 3.49Å
113S91.4Very high93.1Very high74 Ų7444.5 Ų44.552%0.51723%0.229SC..Hα-helixtrans-77.5-26.4179.467.90000115.2L109 Q110 N116L109-S113 PolarHBondContact O-N 3.45Å; L109-S113 PolarHBondContact O-OG 2.92Å; Q110-S113 WeakPolarHBondContact CA-OG 3.49Å; Q110-S113 CarbonylContact O-C 3.6Å; Q110-S113 PolarHBondContact O-N 2.83Å; Q110-S113 PolarHBondContact O-OG 3.32Å; S113-N116 PolarHBondContact O-ND2 2.86Å
114S93.3Very high93Very high7 Ų741.1 Ų41.15%0.04922%0.216CC..Hα-helixtrans-85.3-27.1-173-71.30000113.7Q110 I111 V342 T346Q110-S114 WeakPolarHBondContact O-CB 3.39Å; Q110-S114 PolarHBondContact O-N 2.95Å; Q110-S114 PolarHBondContact O-OG 2.91Å; Q110-S114 VanDerWaalsContact O-OG 3.07Å; I111-S114 PolarHBondContact O-N 3.3Å; S114-V342 WeakPolarHBondContact OG-CG1 3.41Å; S114-T346 VanDerWaalsContact CB-OG1 3.26Å; S114-T346 WeakPolarHBondContact CB-OG1 3.25Å; S114-T346 PolarHBondContact OG-OG1 3.25Å
115I94.5Very high93Very high0 Ų046.8 Ų46.80%024%0.24CC..SBendtrans-120.188.1-171.4-50-177.3000107.7I111 S123 I126 R127 I130 I337I111-I115 HydrophobicContact CG2-CD1 4.12Å; I111-I115 PolarHBondContact O-N 3.06Å; I115-S123 WeakPolarHBondContact O-CB 3.36Å; I115-I126 HydrophobicContact CD1-CG2 3.65Å; I115-I126 HydrophobicContact CG2-CB 4.12Å; I115-I126 HydrophobicContact CG2-CD1 4.49Å; I115-I126 HydrophobicContact CG2-CG2 3.86Å; I115-R127 HydrophobicContact CB-CG 3.83Å; I115-R127 HydrophobicContact CD1-CG 4.39Å; I115-R127 HydrophobicContact CG2-CG 4.21Å; I115-R127 PolarHBondContact O-NH1 3.32Å; I115-I130 HydrophobicContact CD1-CD1 3.42Å; I115-I130 VanDerWaalsContact CD1-CD1 3.42Å; I115-I337 HydrophobicContact CG1-CD1 4.12Å; I115-I337 HydrophobicContact CG1-CG1 4.08Å
116N89.5Confident93.1Very high36 Ų3645.7 Ų45.719%0.19323%0.234CC..  trans-1511.6-173.853.412.8000114.9S113 Y336S113-N116 PolarHBondContact O-ND2 2.86Å; N116-Y336 PolarHBondContact N-O 3.24Å
117A86.5Confident93.3Very high3 Ų339.9 Ų39.93%0.02521%0.206CC..SBendtrans-77.1-60.9-165.200000115.7Y336 D338 G474A117-Y336 PolarHBondContact N-O 3.15Å; A117-D338 HydrophobicContact CB-CB 4.37Å; A117-D338 WeakPolarHBondContact CB-OD1 3.21Å; A117-D338 WeakPolarHBondContact CB-OD2 3.24Å; A117-G474 PolarHBondContact O-N 3.44Å
118K88.2Confident93.3Very high126 Ų12641.4 Ų41.455%0.54821%0.214SC..SBendtrans-74.1-48.9-166.6173.5173.5-172173.60115.1S334 G335 Y336K118-S334 VanDerWaalsContact CD-O 3.29Å; K118-S334 WeakPolarHBondContact CD-O 3.48Å; K118-S334 PolarHBondContact NZ-O 3.48Å; K118-S334 VanDerWaalsContact NZ-O 3.12Å; K118-G335 VanDerWaalsContact CB-O 3.26Å; K118-G335 WeakPolarHBondContact CB-O 3.39Å; K118-G335 PolarHBondContact N-O 2.88Å; K118-Y336 HydrophobicContact CB-CD1 3.8Å; K118-Y336 HydrophobicContact CB-CE1 3.98Å; K118-Y336 HydrophobicContact CB-CG 4.28Å; K118-Y336 HydrophobicContact CD-CD1 4.47Å; K118-Y336 HydrophobicContact CD-CD2 4.44Å; K118-Y336 HydrophobicContact CD-CE1 4.12Å; K118-Y336 HydrophobicContact CD-CE2 4.12Å; K118-Y336 HydrophobicContact CG-CD1 4.49Å; K118-Y336 HydrophobicContact CG-CE1 4.19Å
119S88.4Confident93.3Very high42 Ų4243 Ų4329%0.29422%0.224SC..  trans-158.4143.4177.567.70000109.4G122 S123S119-G122 PolarHBondContact OG-N 3.13Å; S119-S123 WeakPolarHBondContact O-CB 3.18Å; S119-S123 PolarHBondContact O-N 3.32Å; S119-S123 PolarHBondContact O-OG 3.26Å
120E87.5Confident93.5Very high46 Ų4638 Ų3822%0.21520%0.198CC..Hα-helixtrans-67.2-41.4-179.8172.149.2-156.800111.6G122 S123 R124 R127E120-G122 PolarHBondContact O-N 3.01Å; E120-S123 PolarHBondContact O-N 3.24Å; E120-R124 WeakPolarHBondContact O-CB 3.47Å; E120-R124 PolarHBondContact O-N 3.49Å; E120-R124 IonicContact OE1-CZ 3.81Å; E120-R124 IonicContact OE1-NE 3.29Å; E120-R124 PolarHBondContact OE1-NE 3.05Å; E120-R124 IonicContact OE1-NH2 2.73Å; E120-R124 PolarHBondContact OE1-NH2 3.02Å; E120-R127 VanDerWaalsContact CD-NH2 3.3Å; E120-R127 IonicContact OE1-CZ 3.95Å; E120-R127 IonicContact OE1-NH2 2.75Å; E120-R127 PolarHBondContact OE1-NH2 3.43Å; E120-R127 IonicContact OE2-CZ 3.32Å; E120-R127 IonicContact OE2-NH1 3.63Å; E120-R127 PolarHBondContact OE2-NH1 3.1Å; E120-R127 IonicContact OE2-NH2 3.99Å; E120-R127 PolarHBondContact OE2-NH2 2.96Å
121E89.3Confident93.6Very high132 Ų13236.5 Ų36.562%0.61719%0.191SC*.Hα-helixtrans-60.4-46.2179.3-168.3-163.8157.100112.1K125E121-K125 WeakPolarHBondContact O-CG 3.49Å; E121-K125 PolarHBondContact O-N 2.7Å; E121-K125 VanDerWaalsContact O-N 3.17Å; E121-K125 WeakPolarHBondContact OE1-CE 3.29Å; E121-K125 IonicContact OE1-NZ 2.62Å; E121-K125 PolarHBondContact OE1-NZ 3.19Å
122G93Very high93.7Very high11 Ų1138.3 Ų38.311%0.11320%0.198CC..Hα-helixtrans-70.4-41.9179.200000112S119 E120 R124 K125 I126S119-G122 PolarHBondContact OG-N 3.13Å; E120-G122 PolarHBondContact O-N 3.01Å; G122-R124 PolarHBondContact O-N 2.87Å; G122-K125 PolarHBondContact O-N 3.17Å; G122-I126 WeakPolarHBondContact O-CG1 3.13Å; G122-I126 PolarHBondContact O-N 3.43Å
123S93.7Very high93.9Very high0 Ų038.3 Ų38.30%019%0.192CC..Hα-helixtrans-57.3-50.3174.5-65.10000111.1I115 S119 E120 K125 I126 R127I115-S123 WeakPolarHBondContact O-CB 3.36Å; S119-S123 WeakPolarHBondContact O-CB 3.18Å; S119-S123 PolarHBondContact O-N 3.32Å; S119-S123 PolarHBondContact O-OG 3.26Å; E120-S123 PolarHBondContact O-N 3.24Å; S123-K125 VanDerWaalsContact C-N 3.35Å; S123-K125 PolarHBondContact O-N 2.96Å; S123-I126 WeakPolarHBondContact O-CB 3.29Å; S123-I126 PolarHBondContact O-N 2.85Å; S123-R127 VanDerWaalsContact O-CG 3.28Å; S123-R127 WeakPolarHBondContact O-CG 3.38Å; S123-R127 PolarHBondContact O-N 2.86Å
124R93.6Very high94.2Very high39 Ų3934.8 Ų34.815%0.14717%0.168CC..Hα-helixtrans-56.1-45.7177.7-173.7177.5-65.2-135.6-11.4112.3E120 G122 I126 R127 L128 F459 M460E120-R124 WeakPolarHBondContact O-CB 3.47Å; E120-R124 PolarHBondContact O-N 3.49Å; E120-R124 IonicContact OE1-CZ 3.81Å; E120-R124 IonicContact OE1-NE 3.29Å; E120-R124 PolarHBondContact OE1-NE 3.05Å; E120-R124 IonicContact OE1-NH2 2.73Å; E120-R124 PolarHBondContact OE1-NH2 3.02Å; G122-R124 PolarHBondContact O-N 2.87Å; R124-I126 VanDerWaalsContact C-N 3.33Å; R124-I126 PolarHBondContact O-N 3.46Å; R124-R127 PolarHBondContact O-N 3.17Å; R124-L128 HydrophobicContact CG-CD1 4Å; R124-L128 WeakPolarHBondContact O-CB 3.47Å; R124-L128 WeakPolarHBondContact O-CG 3.33Å; R124-L128 PolarHBondContact O-N 3.3Å; R124-F459 VanDerWaalsContact CZ-O 3.28Å; R124-F459 PolarHBondContact NH1-O 2.86Å; R124-M460 PolarHBondContact NH2-O 2.85Å
125K96.4Very high94.5Very high118 Ų11834.5 Ų34.551%0.51317%0.165SC..Hα-helixtrans-59.9-42175.8-73.2174.1-173.1170.70112E121 G122 S123 T129E121-K125 WeakPolarHBondContact O-CG 3.49Å; E121-K125 PolarHBondContact O-N 2.7Å; E121-K125 VanDerWaalsContact O-N 3.17Å; E121-K125 WeakPolarHBondContact OE1-CE 3.29Å; E121-K125 IonicContact OE1-NZ 2.62Å; E121-K125 PolarHBondContact OE1-NZ 3.19Å; G122-K125 PolarHBondContact O-N 3.17Å; S123-K125 VanDerWaalsContact C-N 3.35Å; S123-K125 PolarHBondContact O-N 2.96Å; K125-T129 WeakPolarHBondContact O-CB 3.28Å; K125-T129 PolarHBondContact O-N 3.14Å; K125-T129 PolarHBondContact O-OG1 3.21Å
126I98.2Very high94.7Very high24 Ų2434.5 Ų34.512%0.12317%0.165CC..Hα-helixtrans-64.6-50.7177.1-68.1167.2000110.4I115 G122 S123 R124 L128 T129 I130 I327 A331 Y336I115-I126 HydrophobicContact CD1-CG2 3.65Å; I115-I126 HydrophobicContact CG2-CB 4.12Å; I115-I126 HydrophobicContact CG2-CD1 4.49Å; I115-I126 HydrophobicContact CG2-CG2 3.86Å; G122-I126 WeakPolarHBondContact O-CG1 3.13Å; G122-I126 PolarHBondContact O-N 3.43Å; S123-I126 WeakPolarHBondContact O-CB 3.29Å; S123-I126 PolarHBondContact O-N 2.85Å; R124-I126 VanDerWaalsContact C-N 3.33Å; R124-I126 PolarHBondContact O-N 3.46Å; I126-L128 PolarHBondContact O-N 2.81Å; I126-T129 PolarHBondContact O-N 3.19Å; I126-T129 VanDerWaalsContact O-N 3.14Å; I126-I130 HydrophobicContact CG2-CD1 3.92Å; I126-I130 HydrophobicContact CG2-CG1 4.49Å; I126-I130 WeakPolarHBondContact O-CG1 3.24Å; I126-I130 PolarHBondContact O-N 3.32Å; I126-I327 HydrophobicContact CG2-CG2 3.7Å; I126-A331 HydrophobicContact CD1-CB 4.11Å; I126-A331 HydrophobicContact CG2-CB 4.06Å; I126-Y336 HydrophobicContact CD1-CD1 3.92Å; I126-Y336 HydrophobicContact CD1-CD2 3.28Å; I126-Y336 HydrophobicContact CD1-CE1 4.29Å; I126-Y336 HydrophobicContact CD1-CE2 3.7Å; I126-Y336 HydrophobicContact CD1-CG 3.4Å
127R97.8Very high95.1Very high16 Ų1632.8 Ų32.86%0.0616%0.156CC..Hα-helixtrans-58.4-46.9-179.7-63.5-171.6-65.4-111.17.3112.1I111 A112 I115 E120 S123 R124 T129 I130 M131 V458I111-R127 HydrophobicContact CG2-CB 3.78Å; I111-R127 HydrophobicContact CG2-CG 3.76Å; I111-R127 WeakPolarHBondContact O-CD 3.31Å; A112-R127 VanDerWaalsContact CA-CD 3.49Å; I115-R127 HydrophobicContact CB-CG 3.83Å; I115-R127 HydrophobicContact CD1-CG 4.39Å; I115-R127 HydrophobicContact CG2-CG 4.21Å; I115-R127 PolarHBondContact O-NH1 3.32Å; E120-R127 VanDerWaalsContact CD-NH2 3.3Å; E120-R127 IonicContact OE1-CZ 3.95Å; E120-R127 IonicContact OE1-NH2 2.75Å; E120-R127 PolarHBondContact OE1-NH2 3.43Å; E120-R127 IonicContact OE2-CZ 3.32Å; E120-R127 IonicContact OE2-NH1 3.63Å; E120-R127 PolarHBondContact OE2-NH1 3.1Å; E120-R127 IonicContact OE2-NH2 3.99Å; E120-R127 PolarHBondContact OE2-NH2 2.96Å; S123-R127 VanDerWaalsContact O-CG 3.28Å; S123-R127 WeakPolarHBondContact O-CG 3.38Å; S123-R127 PolarHBondContact O-N 2.86Å; R124-R127 PolarHBondContact O-N 3.17Å; R127-T129 VanDerWaalsContact C-N 3.34Å; R127-T129 PolarHBondContact O-N 2.95Å; R127-I130 PolarHBondContact O-N 3.16Å; R127-M131 PolarHBondContact O-N 3.4Å; R127-V458 HydrophobicContact CB-CB 3.81Å; R127-V458 HydrophobicContact CB-CG1 4.11Å; R127-V458 HydrophobicContact CB-CG2 4.49Å; R127-V458 PolarHBondContact NE-O 2.88Å
128L97.6Very high95.6Very high34 Ų3432.7 Ų32.718%0.17816%0.155CC..Hα-helixtrans-58.9-44.1174.9-76.9167000111.9R124 I126 M131 R132 F286 Y455 V458 F459R124-L128 HydrophobicContact CG-CD1 4Å; R124-L128 WeakPolarHBondContact O-CB 3.47Å; R124-L128 WeakPolarHBondContact O-CG 3.33Å; R124-L128 PolarHBondContact O-N 3.3Å; I126-L128 PolarHBondContact O-N 2.81Å; L128-M131 PolarHBondContact O-N 3.38Å; L128-R132 WeakPolarHBondContact O-CB 2.88Å; L128-R132 WeakPolarHBondContact O-CG 3.29Å; L128-R132 PolarHBondContact O-N 3.36Å; L128-F286 HydrophobicContact CD2-CD1 4.47Å; L128-F286 HydrophobicContact CD2-CE1 4.21Å; L128-Y455 HydrophobicContact CD2-CD2 3.75Å; L128-Y455 HydrophobicContact CD2-CE2 3.91Å; L128-V458 HydrophobicContact CD2-CG2 3.62Å; L128-V458 HydrophobicContact CG-CG2 4.03Å; L128-F459 HydrophobicContact CD1-CD2 4.31Å; L128-F459 HydrophobicContact CD2-CB 4.38Å
129T98.6Very high95.9Very high33 Ų3326.7 Ų26.720%0.20213%0.129CC..Hα-helixtrans-65.7-42.1-179.5-550000111.5K125 I126 R127 R132 Y133 I327K125-T129 WeakPolarHBondContact O-CB 3.28Å; K125-T129 PolarHBondContact O-N 3.14Å; K125-T129 PolarHBondContact O-OG1 3.21Å; I126-T129 PolarHBondContact O-N 3.19Å; I126-T129 VanDerWaalsContact O-N 3.14Å; R127-T129 VanDerWaalsContact C-N 3.34Å; R127-T129 PolarHBondContact O-N 2.95Å; T129-R132 WeakPolarHBondContact O-CB 3.22Å; T129-R132 PolarHBondContact O-N 3.41Å; T129-Y133 HydrophobicContact CG2-CE1 4.17Å; T129-Y133 HydrophobicContact CG2-CE2 3.94Å; T129-Y133 PolarHBondContact O-N 3.15Å; T129-Y133 VanDerWaalsContact O-N 3.1Å; T129-I327 HydrophobicContact CG2-CD1 3.36Å
130I98.8Very high96.2Very high0 Ų025 Ų250%012%0.117CC..Hα-helixtrans-61.7-46.4175.4-65.2170.9000110.2I111 I115 I126 R127 R132 Y133 M134 A324 I327 I350I111-I130 HydrophobicContact CD1-CB 4.32Å; I111-I130 HydrophobicContact CD1-CG2 3.4Å; I111-I130 VanDerWaalsContact CD1-CG2 3.4Å; I111-I130 HydrophobicContact CG1-CG2 4.31Å; I115-I130 HydrophobicContact CD1-CD1 3.42Å; I115-I130 VanDerWaalsContact CD1-CD1 3.42Å; I126-I130 HydrophobicContact CG2-CD1 3.92Å; I126-I130 HydrophobicContact CG2-CG1 4.49Å; I126-I130 WeakPolarHBondContact O-CG1 3.24Å; I126-I130 PolarHBondContact O-N 3.32Å; R127-I130 PolarHBondContact O-N 3.16Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 3.04Å; I130-Y133 PolarHBondContact O-N 2.98Å; I130-Y133 VanDerWaalsContact O-N 3.14Å; I130-M134 HydrophobicContact CG2-CG 4.35Å; I130-M134 WeakPolarHBondContact O-CG 3.16Å; I130-M134 PolarHBondContact O-N 3.43Å; I130-A324 HydrophobicContact CG2-CB 3.95Å; I130-I327 HydrophobicContact CD1-CG2 3.94Å; I130-I327 HydrophobicContact CG1-CB 4.15Å; I130-I327 HydrophobicContact CG1-CG2 3.67Å; I130-I350 HydrophobicContact CG2-CD1 4.42Å
131M98.5Very high96.5Very high0 Ų022.8 Ų22.80%011%0.107CC..Hα-helixtrans-67.6-32.3179.2-69.5-44.6-57.200113.4M104 I107 A108 I111 R127 L128 Y133 M134 N135 F286 V458M104-M131 HydrophobicContact CB-CE 4.08Å; M104-M131 HydrophobicContact CG-CE 4.43Å; M104-M131 HydrophobicContact SD-CE 4.2Å; I107-M131 HydrophobicContact CG2-CE 4.1Å; A108-M131 HydrophobicContact CB-CE 3.92Å; A108-M131 HydrophobicContact CB-CG 4.48Å; A108-M131 HydrophobicContact CB-SD 4.03Å; I111-M131 HydrophobicContact CD1-SD 3.46Å; I111-M131 WeakPolarHBondContact CD1-SD 3.43Å; R127-M131 PolarHBondContact O-N 3.4Å; L128-M131 PolarHBondContact O-N 3.38Å; M131-Y133 VanDerWaalsContact C-N 3.33Å; M131-M134 HydrophobicContact CE-CB 4.22Å; M131-M134 PolarHBondContact O-N 3.24Å; M131-N135 WeakPolarHBondContact O-CB 3.32Å; M131-N135 PolarHBondContact O-N 2.66Å; M131-N135 PolarHBondContact O-ND2 3.49Å; M131-F286 HydrophobicContact CB-CE1 4.2Å; M131-F286 HydrophobicContact CB-CZ 3.99Å; M131-V458 HydrophobicContact CB-CG2 4.44Å; M131-V458 HydrophobicContact CG-CB 4.46Å; M131-V458 HydrophobicContact CG-CG1 3.53Å; M131-V458 HydrophobicContact CG-CG2 4.17Å
132R98.4Very high96.7Very high38 Ų3816.7 Ų16.714%0.1438%0.078CC..Hα-helixtrans-57.8-47.3168.9-78.1175.153-140.5-21.2111L128 T129 I130 N135 L136 F286 V288 L289 E294L128-R132 WeakPolarHBondContact O-CB 2.88Å; L128-R132 WeakPolarHBondContact O-CG 3.29Å; L128-R132 PolarHBondContact O-N 3.36Å; T129-R132 WeakPolarHBondContact O-CB 3.22Å; T129-R132 PolarHBondContact O-N 3.41Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 3.04Å; R132-N135 PolarHBondContact O-N 3.39Å; R132-L136 VanDerWaalsContact O-CB 3.29Å; R132-L136 WeakPolarHBondContact O-CB 2.95Å; R132-L136 PolarHBondContact O-N 3.14Å; R132-F286 HydrophobicContact CG-CB 4.09Å; R132-F286 HydrophobicContact CG-CD1 3.28Å; R132-F286 HydrophobicContact CG-CE1 3.76Å; R132-F286 HydrophobicContact CG-CG 3.74Å; R132-V288 PolarHBondContact NE-O 3.14Å; R132-L289 HydrophobicContact CB-CD1 4.46Å; R132-L289 PolarHBondContact NE-O 3.07Å; R132-L289 VanDerWaalsContact NE-O 3.13Å; R132-L289 PolarHBondContact NH2-O 3.38Å; R132-L289 WeakPolarHBondContact O-CD1 3.41Å; R132-E294 IonicContact NH2-OE1 2.74Å; R132-E294 PolarHBondContact NH2-OE1 3.37Å; R132-E294 IonicContact NH2-OE2 3.14Å; R132-E294 PolarHBondContact NH2-OE2 2.87Å; R132-E294 VanDerWaalsContact NH2-OE2 3.13Å
133Y98.8Very high96.6Very high26 Ų2619.1 Ų19.110%0.1029%0.085CC..Hα-helixtrans-67.1-39.2179.3-66-12000113.2T129 I130 M131 L136 A137 E294 P320 W323 A324 I327T129-Y133 HydrophobicContact CG2-CE1 4.17Å; T129-Y133 HydrophobicContact CG2-CE2 3.94Å; T129-Y133 PolarHBondContact O-N 3.15Å; T129-Y133 VanDerWaalsContact O-N 3.1Å; I130-Y133 PolarHBondContact O-N 2.98Å; I130-Y133 VanDerWaalsContact O-N 3.14Å; M131-Y133 VanDerWaalsContact C-N 3.33Å; Y133-L136 PolarHBondContact O-N 3.28Å; Y133-A137 WeakPolarHBondContact O-CB 3.34Å; Y133-A137 PolarHBondContact O-N 3.21Å; Y133-E294 HydrophobicContact CE1-CG 4.21Å; Y133-E294 PolarHBondContact OH-OE1 3.33Å; Y133-P320 WeakPolarHBondContact CB-O 3.3Å; Y133-P320 WeakPolarHBondContact O-CB 3.45Å; Y133-W323 HydrophobicContact CD1-CE3 4.18Å; Y133-W323 HydrophobicContact CD2-CB 3.49Å; Y133-W323 VanDerWaalsContact CD2-CB 3.49Å; Y133-W323 HydrophobicContact CD2-CE3 4.49Å; Y133-W323 HydrophobicContact CE1-CE3 4.02Å; Y133-W323 HydrophobicContact CE2-CB 3.41Å; Y133-W323 VanDerWaalsContact CE2-CB 3.41Å; Y133-W323 HydrophobicContact CE2-CE3 4.3Å; Y133-W323 HydrophobicContact CE2-CG 4.39Å; Y133-W323 HydrophobicContact CG-CB 4.34Å; Y133-W323 HydrophobicContact CG-CE3 4.42Å; Y133-A324 HydrophobicContact CD2-CB 4.4Å; Y133-I327 HydrophobicContact CD2-CD1 4.03Å; Y133-I327 HydrophobicContact CE2-CD1 3.34Å; Y133-I327 HydrophobicContact CE2-CG1 4.27Å
134M98.6Very high96.2Very high0 Ų020.7 Ų20.70%09%0.092CC..Hα-helixtrans-64.7-40.5175.8-66.7-49.9-66.300112M104 I107 I130 M131 W138 I321 A324 I350 V353M104-M134 HydrophobicContact SD-CB 4.18Å; I107-M134 HydrophobicContact CD1-CE 3.73Å; I107-M134 HydrophobicContact CD1-CG 4.21Å; I107-M134 HydrophobicContact CD1-SD 4.36Å; I130-M134 HydrophobicContact CG2-CG 4.35Å; I130-M134 WeakPolarHBondContact O-CG 3.16Å; I130-M134 PolarHBondContact O-N 3.43Å; M131-M134 HydrophobicContact CE-CB 4.22Å; M131-M134 PolarHBondContact O-N 3.24Å; M134-W138 PolarHBondContact O-N 2.99Å; M134-I321 HydrophobicContact SD-CG1 4.46Å; M134-A324 HydrophobicContact SD-CB 4.05Å; M134-I350 HydrophobicContact CE-CG2 4.2Å; M134-I350 HydrophobicContact SD-CG1 4.42Å; M134-I350 HydrophobicContact SD-CG2 3.89Å; M134-V353 HydrophobicContact CE-CB 3.72Å; M134-V353 HydrophobicContact CE-CG1 3.43Å; M134-V353 VanDerWaalsContact CE-CG1 3.43Å; M134-V353 HydrophobicContact CE-CG2 4.4Å
135N98.3Very high96Very high0 Ų019.2 Ų19.20%09%0.086CC..Hα-helixtrans-71-38.2174.4-77.4-77.2000112.4M131 R132 A137 W138 V139 L289 N450 L451 S454M131-N135 WeakPolarHBondContact O-CB 3.32Å; M131-N135 PolarHBondContact O-N 2.66Å; M131-N135 PolarHBondContact O-ND2 3.49Å; R132-N135 PolarHBondContact O-N 3.39Å; N135-A137 VanDerWaalsContact C-N 3.34Å; N135-A137 PolarHBondContact O-N 3.49Å; N135-W138 PolarHBondContact O-N 3.45Å; N135-W138 VanDerWaalsContact O-N 3.16Å; N135-V139 VanDerWaalsContact O-CG2 3.3Å; N135-V139 WeakPolarHBondContact O-CG2 3.31Å; N135-V139 PolarHBondContact O-N 3.46Å; N135-L289 HydrophobicContact CB-CD1 3.97Å; N135-N450 PolarHBondContact OD1-O 3Å; N135-L451 HydrophobicContact CB-CD2 3.84Å; N135-S454 WeakPolarHBondContact ND2-CB 3.42Å; N135-S454 PolarHBondContact ND2-OG 3.13Å
136L98.3Very high95.8Very high0 Ų013.6 Ų13.60%06%0.062CC..Hα-helixtrans-58.9-47173.8178.561.2000110.8R132 Y133 W138 V139 L140 L276 L289 I290 P320 W323R132-L136 VanDerWaalsContact O-CB 3.29Å; R132-L136 WeakPolarHBondContact O-CB 2.95Å; R132-L136 PolarHBondContact O-N 3.14Å; Y133-L136 PolarHBondContact O-N 3.28Å; L136-W138 VanDerWaalsContact C-N 3.31Å; L136-W138 PolarHBondContact O-N 3.44Å; L136-V139 PolarHBondContact O-N 2.89Å; L136-L140 HydrophobicContact CD1-CD1 4.36Å; L136-L140 HydrophobicContact CD1-CG 4.28Å; L136-L140 HydrophobicContact CG-CD1 4.25Å; L136-L140 WeakPolarHBondContact O-CB 3.36Å; L136-L140 VanDerWaalsContact O-CG 3.3Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 3.39Å; L136-L276 HydrophobicContact CD1-CD1 3.68Å; L136-L289 HydrophobicContact CB-CD1 4.48Å; L136-L289 HydrophobicContact CB-CD2 4.36Å; L136-L289 HydrophobicContact CB-CG 4.13Å; L136-L289 HydrophobicContact CD1-CD2 4.21Å; L136-L289 HydrophobicContact CD1-CG 4.35Å; L136-I290 HydrophobicContact CD1-CB 4.19Å; L136-I290 HydrophobicContact CD1-CD1 4.34Å; L136-I290 HydrophobicContact CD2-CB 4.03Å; L136-I290 HydrophobicContact CD2-CD1 3.82Å; L136-I290 HydrophobicContact CD2-CG1 3.88Å; L136-P320 HydrophobicContact CB-CB 4.39Å; L136-P320 HydrophobicContact CB-CG 4.37Å; L136-P320 HydrophobicContact CD2-CB 4.1Å; L136-P320 HydrophobicContact CD2-CG 3.66Å; L136-P320 HydrophobicContact CG-CB 4.34Å; L136-P320 HydrophobicContact CG-CG 3.83Å; L136-W323 HydrophobicContact CD2-CZ3 4.39Å
137A98.1Very high95.3Very high0 Ų012.7 Ų12.70%06%0.057CC..Hα-helixtrans-55.6-47.7172.900000111.4Y133 N135 V139 L140 M141 Y317 P320 I321 M357Y133-A137 WeakPolarHBondContact O-CB 3.34Å; Y133-A137 PolarHBondContact O-N 3.21Å; N135-A137 VanDerWaalsContact C-N 3.34Å; N135-A137 PolarHBondContact O-N 3.49Å; A137-V139 PolarHBondContact O-N 3.21Å; A137-L140 PolarHBondContact O-N 3.15Å; A137-M141 WeakPolarHBondContact O-CB 3.4Å; A137-M141 PolarHBondContact O-N 3.31Å; A137-Y317 WeakPolarHBondContact CA-O 3.06Å; A137-Y317 WeakPolarHBondContact CB-O 3.37Å; A137-Y317 VanDerWaalsContact O-CB 3.31Å; A137-Y317 WeakPolarHBondContact O-CB 3.28Å; A137-P320 HydrophobicContact CB-CB 4.3Å; A137-I321 HydrophobicContact CB-CD1 4.01Å; A137-I321 HydrophobicContact CB-CG1 3.53Å; A137-M357 HydrophobicContact CB-CE 4.06Å
138W97.2Very high94.9Very high1 Ų114.1 Ų14.10%0.0047%0.065CC..Hα-helixtrans-62.6-42.4179.2-178.4-128.1000113.1I101 P102 M104 M134 N135 L136 M141 M142 M357 L360 I446 N450I101-W138 HydrophobicContact CG2-CH2 4.28Å; I101-W138 HydrophobicContact CG2-CZ2 4.13Å; P102-W138 HydrophobicContact CG-CD2 3.84Å; P102-W138 HydrophobicContact CG-CE3 3.37Å; P102-W138 HydrophobicContact CG-CH2 3.74Å; P102-W138 HydrophobicContact CG-CZ2 4.16Å; P102-W138 HydrophobicContact CG-CZ3 3.33Å; M104-W138 HydrophobicContact CE-CB 3.78Å; M104-W138 HydrophobicContact CE-CG 4.07Å; M134-W138 PolarHBondContact O-N 2.99Å; N135-W138 PolarHBondContact O-N 3.45Å; N135-W138 VanDerWaalsContact O-N 3.16Å; L136-W138 VanDerWaalsContact C-N 3.31Å; L136-W138 PolarHBondContact O-N 3.44Å; W138-M141 HydrophobicContact CE3-CB 4.32Å; W138-M141 HydrophobicContact CE3-CG 4.33Å; W138-M141 HydrophobicContact CZ3-CG 4.15Å; W138-M141 PolarHBondContact O-N 2.91Å; W138-M142 HydrophobicContact CD2-CG 3.7Å; W138-M142 VanDerWaalsContact CE2-CG 3.46Å; W138-M142 HydrophobicContact CE3-CG 3.81Å; W138-M142 HydrophobicContact CE3-SD 4.33Å; W138-M142 HydrophobicContact CG-CG 4.49Å; W138-M142 HydrophobicContact CH2-CE 4.22Å; W138-M142 HydrophobicContact CH2-CG 3.51Å; W138-M142 HydrophobicContact CH2-SD 3.08Å; W138-M142 WeakPolarHBondContact CH2-SD 3.48Å; W138-M142 HydrophobicContact CZ2-CE 4.11Å; W138-M142 HydrophobicContact CZ2-CG 3.39Å; W138-M142 HydrophobicContact CZ2-SD 3.41Å; W138-M142 WeakPolarHBondContact CZ2-SD 3.38Å; W138-M142 HydrophobicContact CZ3-CG 3.71Å; W138-M142 HydrophobicContact CZ3-SD 3.6Å; W138-M142 WeakPolarHBondContact O-CB 3.41Å; W138-M142 VanDerWaalsContact O-CG 3.31Å; W138-M142 WeakPolarHBondContact O-CG 3.49Å; W138-M142 PolarHBondContact O-N 3.2Å; W138-M357 HydrophobicContact CE3-CG 3.9Å; W138-M357 HydrophobicContact CE3-SD 3.9Å; W138-M357 HydrophobicContact CZ3-CG 4.1Å; W138-L360 HydrophobicContact CH2-CD2 3.78Å; W138-L360 HydrophobicContact CZ3-CD2 3.93Å; W138-I446 HydrophobicContact CZ2-CG2 4.43Å; W138-N450 PolarHBondContact NE1-ND2 2.95Å
139V95.9Very high94.5Very high0 Ų012.5 Ų12.50%06%0.056CC..Hα-helixtrans-60.6-48.6175171.40000111N135 L136 A137 M141 M142 K143 F153 L276 L289 L447N135-V139 VanDerWaalsContact O-CG2 3.3Å; N135-V139 WeakPolarHBondContact O-CG2 3.31Å; N135-V139 PolarHBondContact O-N 3.46Å; L136-V139 PolarHBondContact O-N 2.89Å; A137-V139 PolarHBondContact O-N 3.21Å; V139-M141 VanDerWaalsContact C-N 3.34Å; V139-M141 PolarHBondContact O-N 3.07Å; V139-M142 PolarHBondContact O-N 3.42Å; V139-K143 WeakPolarHBondContact O-CB 3.3Å; V139-K143 PolarHBondContact O-N 2.89Å; V139-F153 HydrophobicContact CG1-CD2 4.3Å; V139-F153 HydrophobicContact CG1-CE2 3.79Å; V139-F153 HydrophobicContact CG1-CZ 3.93Å; V139-F153 HydrophobicContact CG2-CZ 4.5Å; V139-L276 HydrophobicContact CG1-CD1 4.26Å; V139-L276 HydrophobicContact CG1-CD2 3.82Å; V139-L289 HydrophobicContact CG2-CD2 4.07Å; V139-L447 HydrophobicContact CG2-CD1 3.58Å; V139-L447 HydrophobicContact CG2-CD2 4.13Å; V139-L447 HydrophobicContact CG2-CG 4.45Å
140L94.4Very high94Very high7 Ų711.3 Ų11.34%0.0375%0.05CC..Hα-helixtrans-61.7-41.6179.2-69.5177.9000111.7L136 A137 L273 L276 F298 P315 P320L136-L140 HydrophobicContact CD1-CD1 4.36Å; L136-L140 HydrophobicContact CD1-CG 4.28Å; L136-L140 HydrophobicContact CG-CD1 4.25Å; L136-L140 WeakPolarHBondContact O-CB 3.36Å; L136-L140 VanDerWaalsContact O-CG 3.3Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 3.39Å; A137-L140 PolarHBondContact O-N 3.15Å; L140-L273 HydrophobicContact CD2-CD2 4.15Å; L140-L276 HydrophobicContact CD2-CD1 4.35Å; L140-F298 HydrophobicContact CD1-CE1 4.42Å; L140-F298 HydrophobicContact CD1-CZ 3.88Å; L140-P315 HydrophobicContact CD1-CB 4.38Å; L140-P315 HydrophobicContact CD2-CB 4.2Å; L140-P320 HydrophobicContact CD1-CG 4.22Å
141M93.5Very high93.5Very high0 Ų014.3 Ų14.30%07%0.07CC..Hα-helixtrans-61.2-51.7174174.256.182.400111A137 W138 V139 K143 R144 I145 Y317 M357 Q361A137-M141 WeakPolarHBondContact O-CB 3.4Å; A137-M141 PolarHBondContact O-N 3.31Å; W138-M141 HydrophobicContact CE3-CB 4.32Å; W138-M141 HydrophobicContact CE3-CG 4.33Å; W138-M141 HydrophobicContact CZ3-CG 4.15Å; W138-M141 PolarHBondContact O-N 2.91Å; V139-M141 VanDerWaalsContact C-N 3.34Å; V139-M141 PolarHBondContact O-N 3.07Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-K143 PolarHBondContact O-N 3.21Å; M141-R144 WeakPolarHBondContact O-CB 3.45Å; M141-R144 PolarHBondContact O-N 3.36Å; M141-I145 PolarHBondContact O-N 3.09Å; M141-I145 HydrophobicContact SD-CG2 4.4Å; M141-Y317 HydrophobicContact CB-CD2 4.42Å; M141-Y317 HydrophobicContact CB-CG 4.07Å; M141-Y317 HydrophobicContact CE-CD1 3.36Å; M141-Y317 HydrophobicContact CE-CD2 3.72Å; M141-Y317 HydrophobicContact CE-CE1 3.14Å; M141-Y317 HydrophobicContact CE-CE2 3.5Å; M141-Y317 HydrophobicContact CE-CG 3.64Å; M141-Y317 HydrophobicContact SD-CD1 4.35Å; M141-Y317 HydrophobicContact SD-CE1 4.5Å; M141-M357 HydrophobicContact CB-SD 3.95Å; M141-M357 HydrophobicContact CE-CB 3.85Å; M141-M357 WeakPolarHBondContact CE-O 3.38Å; M141-M357 HydrophobicContact CG-CB 4.46Å; M141-M357 HydrophobicContact CG-CG 4.35Å; M141-M357 HydrophobicContact CG-SD 4.32Å; M141-Q361 HydrophobicContact CE-CB 3.78Å; M141-Q361 HydrophobicContact CE-CG 4.37Å; M141-Q361 HydrophobicContact SD-CB 4.02Å; M141-Q361 HydrophobicContact SD-CG 4.38Å
142M93.1Very high93Very high3 Ų316.4 Ų16.42%0.0158%0.078CC..Hα-helixtrans-66.7-31.6-174.9-73.2-57.4-73.400113.5W138 V139 R144 I145 S146 I149 F434 T443W138-M142 HydrophobicContact CD2-CG 3.7Å; W138-M142 VanDerWaalsContact CE2-CG 3.46Å; W138-M142 HydrophobicContact CE3-CG 3.81Å; W138-M142 HydrophobicContact CE3-SD 4.33Å; W138-M142 HydrophobicContact CG-CG 4.49Å; W138-M142 HydrophobicContact CH2-CE 4.22Å; W138-M142 HydrophobicContact CH2-CG 3.51Å; W138-M142 HydrophobicContact CH2-SD 3.08Å; W138-M142 WeakPolarHBondContact CH2-SD 3.48Å; W138-M142 HydrophobicContact CZ2-CE 4.11Å; W138-M142 HydrophobicContact CZ2-CG 3.39Å; W138-M142 HydrophobicContact CZ2-SD 3.41Å; W138-M142 WeakPolarHBondContact CZ2-SD 3.38Å; W138-M142 HydrophobicContact CZ3-CG 3.71Å; W138-M142 HydrophobicContact CZ3-SD 3.6Å; W138-M142 WeakPolarHBondContact O-CB 3.41Å; W138-M142 VanDerWaalsContact O-CG 3.31Å; W138-M142 WeakPolarHBondContact O-CG 3.49Å; W138-M142 PolarHBondContact O-N 3.2Å; V139-M142 PolarHBondContact O-N 3.42Å; M142-R144 PolarHBondContact O-N 3.47Å; M142-I145 PolarHBondContact O-N 3.25Å; M142-I145 HydrophobicContact SD-CD1 3.78Å; M142-I145 HydrophobicContact SD-CG1 3.94Å; M142-S146 WeakPolarHBondContact O-CB 2.92Å; M142-S146 PolarHBondContact O-N 3.38Å; M142-I149 HydrophobicContact CB-CB 4.18Å; M142-I149 HydrophobicContact CB-CG1 4.01Å; M142-I149 HydrophobicContact CB-CG2 3.89Å; M142-I149 HydrophobicContact CE-CG1 4.4Å; M142-F434 HydrophobicContact CE-CD1 3.99Å; M142-F434 HydrophobicContact CE-CE1 4Å; M142-F434 HydrophobicContact SD-CE1 4.41Å; M142-T443 HydrophobicContact CE-CG2 3.27Å
143K90.1Very high92.3Very high62 Ų6214.9 Ų14.927%0.277%0.072SC..Hα-helixtrans-60.4-25.3171.5-178.7173.5174.5-74.70112.6V139 M141 I149 I182 M272V139-K143 WeakPolarHBondContact O-CB 3.3Å; V139-K143 PolarHBondContact O-N 2.89Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-K143 PolarHBondContact O-N 3.21Å; K143-I149 HydrophobicContact CB-CG2 4.39Å; K143-I182 WeakPolarHBondContact O-CD1 3.42Å; K143-M272 HydrophobicContact CD-SD 4.15Å
144R87.1Confident91.1Very high34 Ų3416.8 Ų16.813%0.1288%0.083CC..Hα-helixtrans-86.1-23179.2-66.5-17765.1166.61.6114.1M141 M142 I182 C187M141-R144 WeakPolarHBondContact O-CB 3.45Å; M141-R144 PolarHBondContact O-N 3.36Å; M142-R144 PolarHBondContact O-N 3.47Å; R144-I182 WeakPolarHBondContact O-CG2 3.42Å; R144-C187 PolarHBondContact NH2-SG 3.23Å
145I89.4Confident89Confident7 Ų724.3 Ų24.34%0.03612%0.116CC..Hα-helixtrans-118.6-22-172.465.9172.9000113.6M141 M142 R184 L360 S364 F434M141-I145 PolarHBondContact O-N 3.09Å; M141-I145 HydrophobicContact SD-CG2 4.4Å; M142-I145 PolarHBondContact O-N 3.25Å; M142-I145 HydrophobicContact SD-CD1 3.78Å; M142-I145 HydrophobicContact SD-CG1 3.94Å; I145-R184 PolarHBondContact O-NH2 3.45Å; I145-L360 HydrophobicContact CD1-CD2 3.61Å; I145-L360 HydrophobicContact CD1-CG 3.75Å; I145-S364 VanDerWaalsContact CG2-OG 3.27Å; I145-S364 WeakPolarHBondContact CG2-OG 3.49Å; I145-F434 HydrophobicContact CD1-CD1 4.22Å; I145-F434 HydrophobicContact CD1-CE1 4.07Å; I145-F434 HydrophobicContact CD1-CZ 4.26Å; I145-F434 HydrophobicContact CG1-CD1 4.34Å; I145-F434 WeakPolarHBondContact O-CB 3.37Å
146S91.7Very high86.6Confident0 Ų026.6 Ų26.60%013%0.128CC..  trans-113.8121.4-176.8-177.20000113.5M142 Q148 I149 A150 F434 T443M142-S146 WeakPolarHBondContact O-CB 2.92Å; M142-S146 PolarHBondContact O-N 3.38Å; S146-Q148 VanDerWaalsContact C-N 3.33Å; S146-Q148 PolarHBondContact O-N 3.26Å; S146-I149 PolarHBondContact O-N 3.31Å; S146-A150 PolarHBondContact O-N 3.05Å; S146-F434 VanDerWaalsContact CA-O 3.26Å; S146-F434 WeakPolarHBondContact CA-O 3.32Å; S146-F434 PolarHBondContact OG-O 3.21Å; S146-T443 WeakPolarHBondContact OG-CB 3.39Å; S146-T443 WeakPolarHBondContact OG-CG2 3.18Å; S146-T443 PolarHBondContact OG-OG1 2.78Å
147D87.2Confident84.2Confident6 Ų630.1 Ų30.13%0.03215%0.148CC..Hα-helixtrans-64-40.3179.3-63.3-54.7000110.6I149 A150 C151 I182 R184 F434D147-I149 VanDerWaalsContact C-N 3.33Å; D147-I149 PolarHBondContact O-N 2.89Å; D147-A150 PolarHBondContact O-N 3.39Å; D147-C151 WeakPolarHBondContact O-CB 3.48Å; D147-C151 PolarHBondContact O-N 2.89Å; D147-C151 PolarHBondContact O-SG 2.71Å; D147-C151 VanDerWaalsContact O-SG 3.38Å; D147-I182 WeakPolarHBondContact OD1-CG1 3.41Å; D147-I182 PolarHBondContact OD1-N 3.21Å; D147-R184 IonicContact OD1-NH1 2.72Å; D147-R184 IonicContact OD2-CZ 3.21Å; D147-R184 IonicContact OD2-NH1 3.62Å; D147-R184 PolarHBondContact OD2-NH1 3.4Å; D147-R184 IonicContact OD2-NH2 3.47Å; D147-R184 PolarHBondContact OD2-NH2 2.93Å; D147-R184 VanDerWaalsContact OD2-NH2 3.11Å; D147-F434 PolarHBondContact N-O 2.99Å; D147-F434 VanDerWaalsContact N-O 3.07Å
148Q89.1Confident81.5Confident46 Ų4637.2 Ų37.222%0.21519%0.185CC..Hα-helixtrans-56.2-43.3173.7-75.4174.364.200112.8S146 R152 G435 F441 T443S146-Q148 VanDerWaalsContact C-N 3.33Å; S146-Q148 PolarHBondContact O-N 3.26Å; Q148-R152 WeakPolarHBondContact O-CB 3.29Å; Q148-R152 PolarHBondContact O-N 3.42Å; Q148-G435 WeakPolarHBondContact CG-O 3.32Å; Q148-G435 PolarHBondContact NE2-O 2.8Å; Q148-F441 PolarHBondContact NE2-O 3.16Å; Q148-T443 WeakPolarHBondContact CB-OG1 3.48Å
149I90.6Very high78.6Confident0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-76.6-40.8-178.7-62.5-56.5000111.1M142 K143 S146 D147 C151 R152 F153 L447M142-I149 HydrophobicContact CB-CB 4.18Å; M142-I149 HydrophobicContact CB-CG1 4.01Å; M142-I149 HydrophobicContact CB-CG2 3.89Å; M142-I149 HydrophobicContact CE-CG1 4.4Å; K143-I149 HydrophobicContact CB-CG2 4.39Å; S146-I149 PolarHBondContact O-N 3.31Å; D147-I149 VanDerWaalsContact C-N 3.33Å; D147-I149 PolarHBondContact O-N 2.89Å; I149-C151 VanDerWaalsContact C-N 3.34Å; I149-C151 PolarHBondContact O-N 2.91Å; I149-R152 WeakPolarHBondContact O-CB 3.08Å; I149-R152 PolarHBondContact O-N 3.44Å; I149-F153 HydrophobicContact CG2-CD2 3.84Å; I149-F153 HydrophobicContact CG2-CE2 3.85Å; I149-F153 WeakPolarHBondContact O-CD2 3.46Å; I149-F153 PolarHBondContact O-N 3.2Å; I149-L447 HydrophobicContact CD1-CB 4.25Å; I149-L447 HydrophobicContact CD1-CD2 3.82Å
150A87.8Confident75.8Confident8 Ų846.9 Ų46.97%0.06625%0.247CC..Hα-helixtrans-56-50.617300000111S146 D147 R152 F153 I154 I182S146-A150 PolarHBondContact O-N 3.05Å; D147-A150 PolarHBondContact O-N 3.39Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 3.3Å; A150-F153 PolarHBondContact O-N 3.24Å; A150-I154 WeakPolarHBondContact O-CD1 3.46Å; A150-I154 WeakPolarHBondContact O-CG1 3.39Å; A150-I154 PolarHBondContact O-N 3.3Å; A150-I182 HydrophobicContact CB-CD1 3.91Å; A150-I182 HydrophobicContact CB-CG1 4.12Å
151C87.4Confident73.1Confident63 Ų6351.4 Ų51.443%0.42628%0.279SS..Hα-helixtrans-63.9-34.4178.2-68.90000113.7D147 I149 F153D147-C151 WeakPolarHBondContact O-CB 3.48Å; D147-C151 PolarHBondContact O-N 2.89Å; D147-C151 PolarHBondContact O-SG 2.71Å; D147-C151 VanDerWaalsContact O-SG 3.38Å; I149-C151 VanDerWaalsContact C-N 3.34Å; I149-C151 PolarHBondContact O-N 2.91Å; C151-F153 VanDerWaalsContact C-N 3.3Å; C151-F153 PolarHBondContact O-N 3.45Å
152R88.9Confident70.2Confident44 Ų4457.9 Ų57.917%0.16631%0.313CS..Hα-helixtrans-58.9-40.8177176.6177.3174.7169.2-5.4112.1Q148 I149 A150 D279 S444 D448Q148-R152 WeakPolarHBondContact O-CB 3.29Å; Q148-R152 PolarHBondContact O-N 3.42Å; I149-R152 WeakPolarHBondContact O-CB 3.08Å; I149-R152 PolarHBondContact O-N 3.44Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 3.3Å; R152-D279 IonicContact CZ-OD1 3.87Å; R152-D279 IonicContact CZ-OD2 3.62Å; R152-D279 VanDerWaalsContact CZ-OD2 3.29Å; R152-D279 IonicContact NE-OD1 3.05Å; R152-D279 IonicContact NE-OD2 3.14Å; R152-D279 PolarHBondContact NE-OD2 3.45Å; R152-D279 VanDerWaalsContact NH2-CG 3.28Å; R152-D279 IonicContact NH2-OD1 2.88Å; R152-D279 PolarHBondContact NH2-OD1 2.8Å; R152-D279 IonicContact NH2-OD2 2.7Å; R152-D279 PolarHBondContact NH2-OD2 2.64Å; R152-S444 PolarHBondContact NH1-O 2.96Å; R152-S444 PolarHBondContact NH1-OG 3Å; R152-D448 IonicContact CZ-OD1 3.21Å; R152-D448 IonicContact NH1-OD1 3.5Å; R152-D448 PolarHBondContact NH1-OD1 3.26Å; R152-D448 IonicContact NH1-OD2 3.49Å; R152-D448 IonicContact NH2-OD1 2.67Å; R152-D448 PolarHBondContact NH2-OD1 2.87Å
153F83.8Confident67.4Low6 Ų662.4 Ų62.43%0.02634%0.343CS..Hα-helixtrans-95.1-15.4-176-68.5-75.1000114.6V139 I149 A150 C151 L276 D279 L447V139-F153 HydrophobicContact CG1-CD2 4.3Å; V139-F153 HydrophobicContact CG1-CE2 3.79Å; V139-F153 HydrophobicContact CG1-CZ 3.93Å; V139-F153 HydrophobicContact CG2-CZ 4.5Å; I149-F153 HydrophobicContact CG2-CD2 3.84Å; I149-F153 HydrophobicContact CG2-CE2 3.85Å; I149-F153 WeakPolarHBondContact O-CD2 3.46Å; I149-F153 PolarHBondContact O-N 3.2Å; A150-F153 PolarHBondContact O-N 3.24Å; C151-F153 VanDerWaalsContact C-N 3.3Å; C151-F153 PolarHBondContact O-N 3.45Å; F153-L276 HydrophobicContact CB-CD2 4.17Å; F153-L276 HydrophobicContact CD1-CD2 3.5Å; F153-L276 VanDerWaalsContact CD1-CD2 3.5Å; F153-L276 HydrophobicContact CD2-CD2 4.4Å; F153-L276 HydrophobicContact CE1-CD2 3.9Å; F153-L276 HydrophobicContact CG-CD2 3.77Å; F153-D279 HydrophobicContact CD1-CB 4.37Å; F153-D279 HydrophobicContact CE1-CB 3.62Å; F153-D279 HydrophobicContact CZ-CB 4.38Å; F153-L447 HydrophobicContact CE2-CD2 3.8Å; F153-L447 HydrophobicContact CZ-CD2 4.02Å
154I73.4Confident64.7Low65 Ų6565.7 Ų65.733%0.33337%0.373SS..Hα-helixtrans-68.3-37.4172.4-70.9161.4000112A150 N156 D157A150-I154 WeakPolarHBondContact O-CD1 3.46Å; A150-I154 WeakPolarHBondContact O-CG1 3.39Å; A150-I154 PolarHBondContact O-N 3.3Å; I154-N156 PolarHBondContact O-N 3.47Å; I154-D157 WeakPolarHBondContact O-CB 3.39Å; I154-D157 PolarHBondContact O-N 3.48Å
155K53.9Low62.3Low158 Ų15868.3 Ų68.369%0.68740%0.402SS*.THydrogen-bonded Turntrans-64.9-13.1-166-149.3176.1-176.5-178.30114.2
156N48.7Very low59.7Low48 Ų4875.3 Ų75.326%0.25744%0.439SS..THydrogen-bonded Turntrans-84.7-8.7177.7-71.1-12.7000113.5I154 A275 Q278I154-N156 PolarHBondContact O-N 3.47Å; N156-A275 HydrophobicContact CB-CB 4.09Å; N156-A275 PolarHBondContact ND2-O 3.41Å; N156-Q278 HydrophobicContact CB-CB 4.42Å; N156-Q278 WeakPolarHBondContact ND2-CB 2.97Å
157D47.6Very low56.9Low75 Ų7578.2 Ų78.240%0.40147%0.469SS..SBendtrans-76.5-28.7-179.4-61.1-24.4000112.6I154I154-D157 WeakPolarHBondContact O-CB 3.39Å; I154-D157 PolarHBondContact O-N 3.48Å
158N41.4Very low54.4Low148 Ų14883.9 Ų83.979%0.79151%0.506SS*.SBendtrans-95.1-7.5-169-78-32.6000116
159I36.3Very low51.9Low156 Ų15687.5 Ų87.580%0.853%0.531SS*.SBendtrans-105.3-5.2-171.2-64.3175.9000113.4
160G37.1Very low48.9Very low48 Ų4895.6 Ų95.650%0.49557%0.573SS.*SBendtrans-148.5128.3179.600000113.7
161S36.7Very low46.1Very low102 Ų102100 Ų10071%0.71360%0.602SS**  trans66.982.415965.30000119.1
162L33Very low43.3Very low136 Ų136106.9 Ų106.971%0.71262%0.624SS**  -119.6103129.9-166.373.3000108.6
163P34.8Very low40.4Very low99 Ų99115.9 Ų115.964%0.64366%0.658SS**  trans-62.4134.2163.7-10.325.4000108.2A165P163-A165 PolarHBondContact O-N 3.49Å
164S33.8Very low37.6Very low130 Ų130124.6 Ų124.691%0.90970%0.696SS**THydrogen-bonded Turntrans-64.236.2-173.8-52.60000116.5
165A36.7Very low35.6Very low89 Ų89126.6 Ų126.674%0.73672%0.716SS**THydrogen-bonded Turntrans-87.9-11.5-176.100000114.4P163P163-A165 PolarHBondContact O-N 3.49Å
166L34.1Very low34.4Very low155 Ų155123.2 Ų123.281%0.81271%0.708SS**SBendtrans-105.276.9178.9-74.2166.1000111.5
167G31.9Very low33.5Very low61 Ų61128.6 Ų128.663%0.62974%0.737SS**  trans55.7179.6152.100000118.5V169G167-V169 PolarHBondContact O-N 3.41Å
168P36.3Very low32.8Very low125 Ų125132 Ų13281%0.81275%0.75SS**SBendtrans-78.6117.1-169.129.4-30.3000112.3
169V35.1Very low32.7Very low122 Ų122131.4 Ų131.474%0.73974%0.741SS**  trans51.678.4136.3-163.80000115.5G167G167-V169 PolarHBondContact O-N 3.41Å
170L29.1Very low33.1Very low170 Ų170131.1 Ų131.189%0.8974%0.736SS**  trans-63.7125140.8-96.2138.8000107.1K172L170-K172 PolarHBondContact O-N 2.88Å
171P29Very low33.6Very low101 Ų101134.3 Ų134.366%0.65674%0.741SS**  trans-58.8128.4-175.821.5-30.3000108.9R173P171-R173 VanDerWaalsContact C-N 3.32Å; P171-R173 PolarHBondContact O-N 3.33Å
172K27.8Very low34.3Very low207 Ų207131.1 Ų131.190%0.972%0.715SS**  trans-47.498.8170.9-71.2-179.6178179.30108.1L170 K174L170-K172 PolarHBondContact O-N 2.88Å; K172-K174 PolarHBondContact O-N 3.48Å
173R27.3Very low35.1Very low232 Ų232128.1 Ų128.188%0.87571%0.706SS**  trans-62.3109.7176.3-164.4174.3-175.6172.30.3104.6P171 S175P171-R173 VanDerWaalsContact C-N 3.32Å; P171-R173 PolarHBondContact O-N 3.33Å; R173-S175 PolarHBondContact O-N 3.15Å
174K25.8Very low35.9Very low189 Ų189125.7 Ų125.782%0.82268%0.684SS**  trans-50.8114171.9-74.1-177.9177.91790105.2K172 T176K172-K174 PolarHBondContact O-N 3.48Å; K174-T176 PolarHBondContact O-N 3.12Å
175S30.9Very low36.6Very low107 Ų107126.4 Ų126.475%0.74868%0.677SS**  trans-60.892.7174.9177.90000106R173 N177R173-S175 PolarHBondContact O-N 3.15Å; S175-N177 PolarHBondContact O-N 2.88Å
176T28.3Very low37Very low87 Ų87124.8 Ų124.853%0.53466%0.659SS.*  trans-66.6125.7163.8380000104.1K174 H178K174-T176 PolarHBondContact O-N 3.12Å; T176-H178 PolarHBondContact O-N 3.09Å
177N30.1Very low37.6Very low161 Ų161118.6 Ų118.686%0.86163%0.628SS**  trans-61.931.5171.6-84.7-39.6000112.4S175 K179S175-N177 PolarHBondContact O-N 2.88Å; N177-K179 PolarHBondContact O-N 3.27Å
178H34.1Very low38.5Very low146 Ų146119.1 Ų119.168%0.67661%0.614SS**  trans-64.998.9159.4-73.2-58.2000105.4T176 H180T176-H178 PolarHBondContact O-N 3.09Å; H178-H180 PolarHBondContact O-N 3.44Å
179K39.5Very low39Very low137 Ų137115 Ų11560%0.59659%0.587SS**  trans-36.9112.3159.6-66.5-173.1172.5-157.70106N177 L181 D436N177-K179 PolarHBondContact O-N 3.27Å; K179-L181 HydrophobicContact CB-CG 4.35Å; K179-L181 PolarHBondContact O-N 2.89Å; K179-D436 IonicContact NZ-OD2 3.13Å; K179-D436 PolarHBondContact NZ-OD2 3.47Å
180H43.3Very low39.8Very low150 Ų150117.8 Ų117.869%0.69458%0.584SS**  trans-66.979.8176.1-90.8-93.5000106.8H178 I182H178-H180 PolarHBondContact O-N 3.44Å; H180-I182 PolarHBondContact O-N 3.49Å
181L49Very low40.5Very low115 Ų115111.4 Ų111.460%0.60255%0.554SS**  trans-68.6129173.2-68170000106.6K179 S183K179-L181 HydrophobicContact CB-CG 4.35Å; K179-L181 PolarHBondContact O-N 2.89Å; L181-S183 PolarHBondContact O-N 3.18Å
182I51.5Low41.3Very low35 Ų35110.5 Ų110.518%0.17954%0.543CS..  trans-56.8124.9177.4-63.4167.1000108.1K143 R144 D147 A150 H180 R184K143-I182 WeakPolarHBondContact O-CD1 3.42Å; R144-I182 WeakPolarHBondContact O-CG2 3.42Å; D147-I182 WeakPolarHBondContact OD1-CG1 3.41Å; D147-I182 PolarHBondContact OD1-N 3.21Å; A150-I182 HydrophobicContact CB-CD1 3.91Å; A150-I182 HydrophobicContact CB-CG1 4.12Å; H180-I182 PolarHBondContact O-N 3.49Å; I182-R184 VanDerWaalsContact C-N 3.35Å; I182-R184 PolarHBondContact O-N 3.42Å
183S48.9Very low41.8Very low73 Ų73104.1 Ų104.151%0.5152%0.519SS..  trans-68.594.2172.2-1780000109L181 N185 T186L181-S183 PolarHBondContact O-N 3.18Å; S183-N185 PolarHBondContact O-N 3.29Å; S183-T186 PolarHBondContact O-OG1 3.05Å
184R52.3Low42.4Very low48 Ų4894.2 Ų94.218%0.18149%0.486CS..G310 helixtrans-67.2-17.4-179.6-69.7179.7167.287.73.4113I145 D147 I182 T186 N432I145-R184 PolarHBondContact O-NH2 3.45Å; D147-R184 IonicContact OD1-NH1 2.72Å; D147-R184 IonicContact OD2-CZ 3.21Å; D147-R184 IonicContact OD2-NH1 3.62Å; D147-R184 PolarHBondContact OD2-NH1 3.4Å; D147-R184 IonicContact OD2-NH2 3.47Å; D147-R184 PolarHBondContact OD2-NH2 2.93Å; D147-R184 VanDerWaalsContact OD2-NH2 3.11Å; I182-R184 VanDerWaalsContact C-N 3.35Å; I182-R184 PolarHBondContact O-N 3.42Å; R184-T186 PolarHBondContact O-N 3.02Å; R184-N432 VanDerWaalsContact CZ-CG 3.47Å; R184-N432 PolarHBondContact NE-OD1 3.28Å; R184-N432 PolarHBondContact NH1-ND2 2.95Å; R184-N432 PolarHBondContact NH1-OD1 2.96Å; R184-N432 PolarHBondContact NH2-OD1 3.44Å
185N47.5Very low43.1Very low144 Ų14486.8 Ų86.877%0.7746%0.458SS*.G310 helixtrans-66.8-16.4-177-75.1-10.5000114.4S183S183-N185 PolarHBondContact O-N 3.29Å
186T45.6Very low43.3Very low56 Ų5688.3 Ų88.334%0.34445%0.454SS..G310 helixtrans-111.3-8-171.855.20000114.5S183 R184 Q188S183-T186 PolarHBondContact O-OG1 3.05Å; R184-T186 PolarHBondContact O-N 3.02Å; T186-Q188 VanDerWaalsContact C-N 3.25Å; T186-Q188 PolarHBondContact O-N 3.25Å
187C47.3Very low43.4Very low25 Ų2589.1 Ų89.117%0.16946%0.458CS..  trans-86.159.7177.7-78.70000111.5R144 S365R144-C187 PolarHBondContact NH2-SG 3.23Å; C187-S365 WeakPolarHBondContact O-CB 3.48Å
188Q50.7Low43.5Very low72 Ų7285.8 Ų85.834%0.33644%0.443SS..  trans-62.3130.8168.8-64.4-64.5-16.600108.7T186 W190 S191T186-Q188 VanDerWaalsContact C-N 3.25Å; T186-Q188 PolarHBondContact O-N 3.25Å; Q188-W190 HydrophobicContact CB-CD2 4.5Å; Q188-W190 HydrophobicContact CB-CZ2 4.43Å; Q188-W190 HydrophobicContact CG-CZ2 4.47Å; Q188-W190 PolarHBondContact O-N 2.83Å; Q188-W190 VanDerWaalsContact OE1-CH2 3.3Å; Q188-S191 PolarHBondContact O-N 3.45Å; Q188-S191 VanDerWaalsContact O-N 3.09Å
189P46.5Very low43Very low38 Ų3888.9 Ų88.925%0.24745%0.449CS..THydrogen-bonded Turntrans-69.2-20.8-172.423.3-26.3000112.5V362 S365P189-V362 HydrophobicContact CB-CG2 3.77Å; P189-V362 HydrophobicContact CG-CG2 3.98Å; P189-S365 VanDerWaalsContact CD-OG 3.27Å; P189-S365 WeakPolarHBondContact CD-OG 3.41Å; P189-S365 WeakPolarHBondContact CG-OG 3.3Å
190W50.5Low42.3Very low180 Ų18087.9 Ų87.968%0.68246%0.455SS*.THydrogen-bonded Turntrans-97.1-10.9174.256.582.2000113.9Q188 I192 I366Q188-W190 HydrophobicContact CB-CD2 4.5Å; Q188-W190 HydrophobicContact CB-CZ2 4.43Å; Q188-W190 HydrophobicContact CG-CZ2 4.47Å; Q188-W190 PolarHBondContact O-N 2.83Å; Q188-W190 VanDerWaalsContact OE1-CH2 3.3Å; W190-I192 PolarHBondContact O-N 2.96Å; W190-I366 HydrophobicContact CH2-CD1 4.5Å; W190-I366 HydrophobicContact CZ3-CD1 4.06Å
191S44.8Very low41.3Very low37 Ų3785.3 Ų85.326%0.25945%0.453SS..  trans-83.6106178-163.50000107.7Q188 D193Q188-S191 PolarHBondContact O-N 3.45Å; Q188-S191 VanDerWaalsContact O-N 3.09Å; S191-D193 WeakPolarHBondContact CB-O 3.35Å; S191-D193 PolarHBondContact O-N 3.45Å; S191-D193 VanDerWaalsContact OG-C 3.31Å; S191-D193 WeakPolarHBondContact OG-CA 3.47Å; S191-D193 WeakPolarHBondContact OG-CB 3.35Å; S191-D193 PolarHBondContact OG-N 3.22Å; S191-D193 PolarHBondContact OG-O 3.33Å
192I46.2Very low40.3Very low82 Ų8285.6 Ų85.642%0.42146%0.462SS..SBendtrans-60.7-20.9162-39.4179.7000109.1W190 A194 W305W190-I192 PolarHBondContact O-N 2.96Å; I192-A194 VanDerWaalsContact C-N 3.33Å; I192-A194 PolarHBondContact O-N 3.08Å; I192-W305 VanDerWaalsContact C-CH2 3.48Å; I192-W305 HydrophobicContact CB-CH2 3.62Å; I192-W305 HydrophobicContact CB-CZ3 3.99Å; I192-W305 HydrophobicContact CG2-CE3 4.28Å; I192-W305 HydrophobicContact CG2-CH2 3.24Å; I192-W305 HydrophobicContact CG2-CZ2 4.36Å; I192-W305 HydrophobicContact CG2-CZ3 3.18Å; I192-W305 WeakPolarHBondContact O-CH2 3.43Å; I192-W305 WeakPolarHBondContact O-CZ2 3.31Å
193D38.7Very low39.1Very low73 Ų7389.6 Ų89.639%0.3949%0.493SS..  trans-78.276.2170.9-149-11.9000110.1S191 S195S191-D193 WeakPolarHBondContact CB-O 3.35Å; S191-D193 PolarHBondContact O-N 3.45Å; S191-D193 VanDerWaalsContact OG-C 3.31Å; S191-D193 WeakPolarHBondContact OG-CA 3.47Å; S191-D193 WeakPolarHBondContact OG-CB 3.35Å; S191-D193 PolarHBondContact OG-N 3.22Å; S191-D193 PolarHBondContact OG-O 3.33Å; D193-S195 PolarHBondContact O-N 2.97Å; D193-S195 PolarHBondContact O-OG 2.98Å; D193-S195 WeakPolarHBondContact OD1-CB 3.46Å; D193-S195 PolarHBondContact OD1-OG 3.48Å
194A38.8Very low38.1Very low23 Ų2395 Ų9519%0.1951%0.508CS..  trans-75.866.6163.500000107.8I192 E196I192-A194 VanDerWaalsContact C-N 3.33Å; I192-A194 PolarHBondContact O-N 3.08Å; A194-E196 PolarHBondContact O-N 3.23Å; A194-E196 VanDerWaalsContact O-N 3.14Å
195S40.8Very low36.9Very low34 Ų3497.4 Ų97.424%0.23853%0.532CS..  trans-68.3112.8-169.5-26.90000110.7D193D193-S195 PolarHBondContact O-N 2.97Å; D193-S195 PolarHBondContact O-OG 2.98Å; D193-S195 WeakPolarHBondContact OD1-CB 3.46Å; D193-S195 PolarHBondContact OD1-OG 3.48Å
196E34.5Very low36.1Very low138 Ų13898.1 Ų98.165%0.64553%0.534SS*.  trans-83.593.1132.1-94.7-170.1162.700107.3A194 V198A194-E196 PolarHBondContact O-N 3.23Å; A194-E196 VanDerWaalsContact O-N 3.14Å; E196-V198 HydrophobicContact CB-CG2 4Å; E196-V198 HydrophobicContact CG-CG2 4.24Å; E196-V198 PolarHBondContact O-N 3Å; E196-V198 VanDerWaalsContact O-N 3.07Å
197V31.7Very low35.2Very low105 Ų105102.8 Ų102.864%0.63656%0.556SS**  trans-73.285.3141.4-179.40000103.8R199V197-R199 HydrophobicContact CG1-CG 4.43Å; V197-R199 PolarHBondContact O-N 2.99Å
198V30.6Very low34.4Very low90 Ų90109.4 Ų109.455%0.54558%0.584SS.*  trans-58.397.7157.1177.90000103.7E196 T200E196-V198 HydrophobicContact CB-CG2 4Å; E196-V198 HydrophobicContact CG-CG2 4.24Å; E196-V198 PolarHBondContact O-N 3Å; E196-V198 VanDerWaalsContact O-N 3.07Å; V198-T200 HydrophobicContact CG1-CG2 4.32Å; V198-T200 PolarHBondContact O-N 3.22Å
199R23.5Very low33.3Very low212 Ų212114.5 Ų114.580%0.861%0.608SS**  trans-57.491.4154.3-83.7-176.1-72.7-98-3.3103.9V197 S201V197-R199 HydrophobicContact CG1-CG 4.43Å; V197-R199 PolarHBondContact O-N 2.99Å; R199-S201 VanDerWaalsContact C-N 3.26Å; R199-S201 PolarHBondContact O-N 3.32Å
200T25Very low32.5Very low115 Ų115121.5 Ų121.571%0.70664%0.638SS**  trans-49.7111.7150.749.40000102.8V198 P202V198-T200 HydrophobicContact CG1-CG2 4.32Å; V198-T200 PolarHBondContact O-N 3.22Å; T200-P202 VanDerWaalsContact O-N 3.09Å
201S23.2Very low31.4Very low96 Ų96119.9 Ų119.967%0.67164%0.641SS**  trans-49.1126.8166.2-690000104.4R199 S203R199-S201 VanDerWaalsContact C-N 3.26Å; R199-S201 PolarHBondContact O-N 3.32Å; S201-S203 VanDerWaalsContact C-N 3.26Å; S201-S203 PolarHBondContact O-N 3.31Å
202P27.8Very low30.4Very low121 Ų121123.2 Ų123.279%0.78667%0.665SS**  trans-59103.3-179.321.2-28.5000105.2T200 K204T200-P202 VanDerWaalsContact O-N 3.09Å; P202-K204 VanDerWaalsContact C-N 3.28Å; P202-K204 PolarHBondContact O-N 3.43Å
203S26.3Very low29.5Very low119 Ų119128.3 Ų128.383%0.83269%0.687SS**  trans-58.6104.8175.2-73.50000104.1S201 S205S201-S203 VanDerWaalsContact C-N 3.26Å; S201-S203 PolarHBondContact O-N 3.31Å; S203-S205 PolarHBondContact O-N 3.09Å
204K27.3Very low29Very low188 Ų188129.5 Ų129.582%0.81770%0.701SS**  trans-43.4111.1175-79.1178172.1179.80108P202 I206P202-K204 VanDerWaalsContact C-N 3.28Å; P202-K204 PolarHBondContact O-N 3.43Å; K204-I206 PolarHBondContact O-N 2.96Å
205S28.3Very low28.2Very low97 Ų97137.7 Ų137.768%0.67874%0.735SS**SBendtrans34.878.8138.566.50000115.3S203S203-S205 PolarHBondContact O-N 3.09Å
206I30.2Very low27.6Very low160 Ų160146 Ų14682%0.82176%0.763SS**SBendtrans-121.4-17.1153.4-63.3-178.8000111.6K204K204-I206 PolarHBondContact O-N 2.96Å
207L27.5Very low27.1Very low153 Ų153145.3 Ų145.380%0.80177%0.77SS**SBendtrans-101.4-7.8-177.6-113.1135.3000115.8Q209L207-Q209 VanDerWaalsContact C-N 3.3Å; L207-Q209 PolarHBondContact O-N 2.67Å
208Q28.6Very low26.7Very low165 Ų165147.7 Ų147.777%0.77178%0.778SS**THydrogen-bonded Turntrans-81.7-3.8179.3-153.267.12700113.8
209Q28.3Very low26.6Very low179 Ų179152.9 Ų152.984%0.83680%0.796SS**THydrogen-bonded Turntrans-94.86.4-174.6-142.3171.611.900115L207L207-Q209 VanDerWaalsContact C-N 3.3Å; L207-Q209 PolarHBondContact O-N 2.67Å
210Q29.1Very low26.6Very low185 Ų185147.8 Ų147.886%0.86479%0.793SS**SBendtrans-121.53.1179.5-71.2-162.5-39.200116.2
211L27.5Very low26.7Very low145 Ų145152.5 Ų152.576%0.75980%0.804SS**  trans-111.421-179.2-71.5167.3000114.7Q213L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 3.46Å
212S24.6Very low26.8Very low108 Ų108155 Ų15576%0.75581%0.809SS**  trans-90.350.1170.665.90000112.4
213Q27.3Very low26.7Very low189 Ų189155.4 Ų155.488%0.88381%0.805SS**  trans-153.168.9168-70-165.64.200112L211L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 3.46Å
214S28Very low26.9Very low98 Ų98155.4 Ų155.469%0.68581%0.805SS**  trans-159.699.7147.456.10000110.6
215Q23.3Very low26.9Very low194 Ų194152.1 Ų152.191%0.90780%0.802SS**  trans-74.1116.9163.3-76.3169.2-47.500108
216Y26.2Very low26.8Very low209 Ų209155.3 Ų155.382%0.8281%0.811SS**  trans-133142.3156.8-74.5-76.4000110.2
217P25.3Very low26.7Very low124 Ų124155.3 Ų155.381%0.80581%0.812SS**  trans-93153.4-159.43.618000113.1
218I22.9Very low26.7Very low155 Ų155155.2 Ų155.280%0.79581%0.813SS**  trans-48.2133.7173.2-62.6151.9000112.8
219Q29Very low26.8Very low198 Ų198154 Ų15493%0.92581%0.81SS**  trans-139.899.8151.1-104.7171.4-9.600110.3
220S22.8Very low26.7Very low105 Ų105155.3 Ų155.373%0.73481%0.813SS**  trans-69.3125.8165.1510000110.3
221K28.3Very low26.8Very low214 Ų214153.6 Ų153.693%0.9381%0.809SS**  trans-133.4107.4156.8-105.1-176.6178-179.10110
222L24.6Very low26.7Very low148 Ų148154.6 Ų154.678%0.77581%0.81SS**  trans-75.7165.6169.4-160.273000109.4
223D26.4Very low26.8Very low131 Ų131155.5 Ų155.570%0.70181%0.813SS**  trans82.8104.8160-53.7-41.3000118.6
224S28.6Very low26.8Very low119 Ų119155.5 Ų155.583%0.83281%0.813SS**  -178.9143.6105.4-72.10000112.3
225P28.7Very low26.6Very low119 Ų119156.8 Ų156.877%0.77382%0.817SS**  trans-98.3145.4-165.718.21.3000114.2N227P225-N227 PolarHBondContact O-N 3.13Å
226L25.9Very low26.9Very low164 Ų164153.7 Ų153.786%0.85981%0.813SS**  trans19.494.3145.8-68.3164.5000117.1
227N28.9Very low27Very low159 Ų159150.8 Ų150.885%0.8581%0.812SS**  trans-91.9109.5161.5-128.80.1000109.2P225 I229P225-N227 PolarHBondContact O-N 3.13Å; N227-I229 PolarHBondContact O-N 3.43Å
228N26Very low27.1Very low151 Ų151150.5 Ų150.581%0.80781%0.813SS**  trans-59.7110.9170.7-75.9-33.9000110.2
229I31.5Very low27.4Very low141 Ų141147.9 Ų147.972%0.72381%0.808SS**  trans-109.8106.5162.1-61.7-179.2000108N227 I231N227-I229 PolarHBondContact O-N 3.43Å; I229-I231 HydrophobicContact CG2-CG1 4.11Å; I229-I231 PolarHBondContact O-N 2.77Å
230F25.3Very low27.3Very low205 Ų205144.2 Ų144.290%0.89980%0.795SS**  trans-52.8112.3164.9-120.1-104.8000109.5
231I32.1Very low27.6Very low150 Ų150146 Ų14677%0.76980%0.801SS**  trans-119.6120.1164.9-60.7-178.2000107.8I229I229-I231 HydrophobicContact CG2-CG1 4.11Å; I229-I231 PolarHBondContact O-N 2.77Å
232Q25.5Very low27.7Very low166 Ų166142.5 Ų142.578%0.77679%0.788SS**  trans-59.1153.3177.4-87.7-177.4-39.300112.5Q234Q232-Q234 PolarHBondContact O-N 2.94Å
233P25.7Very low27.9Very low127 Ų127139.9 Ų139.983%0.82578%0.778SS**  trans-78.3114.2-167.729.6-28.8000111
234Q27.5Very low28.3Very low189 Ų189139.1 Ų139.188%0.88378%0.78SS**PPolyproline II helixtrans-79.6134.4162.8-68.3-154.8-6.100109.8Q232Q232-Q234 PolarHBondContact O-N 2.94Å
235T25Very low29Very low124 Ų124138.1 Ų138.176%0.76177%0.765SS**PPolyproline II helixtrans-49.6138.3178.744.40000112.4N237T235-N237 PolarHBondContact O-N 2.9Å
236P29.4Very low29.5Very low129 Ų129133.1 Ų133.184%0.83873%0.734SS**PPolyproline II helixtrans-69.8116.6-173.2-5.320.3000110.2S238P236-S238 PolarHBondContact O-N 3.38Å
237N28.2Very low30Very low148 Ų148130.9 Ų130.979%0.79173%0.729SS**PPolyproline II helixtrans-65.9130.6166.1-97.5-18.4000108.9T235 S239T235-N237 PolarHBondContact O-N 2.9Å; N237-S239 PolarHBondContact O-N 2.93Å
238S26.9Very low30.3Very low119 Ų119129.6 Ų129.683%0.83272%0.722SS**SBendtrans-72.6106.8-179.469.60000110.4P236P236-S238 PolarHBondContact O-N 3.38Å
239S29.5Very low30.9Very low99 Ų99124.3 Ų124.369%0.69270%0.699SS**  trans-172.718.3158.744.90000115.4N237N237-S239 PolarHBondContact O-N 2.93Å
240D27.5Very low31.4Very low122 Ų122123.8 Ų123.865%0.65270%0.703SS**  trans-108.172-177.9-66.8-29.7000111.7H242D240-H242 VanDerWaalsContact C-N 3.27Å; D240-H242 PolarHBondContact O-N 2.97Å; D240-H242 VanDerWaalsContact O-N 3.1Å
241V28.8Very low32.3Very low141 Ų141121.2 Ų121.286%0.85570%0.698SS**  trans-80.584164.1-177.10000107.4T243V241-T243 PolarHBondContact O-N 2.9Å
242H29.5Very low32.7Very low141 Ų141122.8 Ų122.865%0.65370%0.702SS**  trans-67.6114.6172.9-68.5-71.8000109.8D240 L245D240-H242 VanDerWaalsContact C-N 3.27Å; D240-H242 PolarHBondContact O-N 2.97Å; D240-H242 VanDerWaalsContact O-N 3.1Å; H242-L245 HydrophobicContact CB-CD1 4.35Å
243T28.9Very low33.4Very low94 Ų94123.6 Ų123.658%0.57771%0.706SS**  trans-68.3133.7164.4-58.70000107.6V241 L245V241-T243 PolarHBondContact O-N 2.9Å; T243-L245 WeakPolarHBondContact O-CD1 3.47Å; T243-L245 PolarHBondContact O-N 2.71Å
244P34.8Very low34.1Very low114 Ų114126.7 Ų126.774%0.7471%0.707SS**  trans-55.9113.5-173.319.1-30.4000111.6
245L43.3Very low34.6Very low99 Ų99120.6 Ų120.652%0.51870%0.695SS.*PPolyproline II helixtrans-88.8145.5-168.2-80.4102.4000112.7H242 T243H242-L245 HydrophobicContact CB-CD1 4.35Å; T243-L245 WeakPolarHBondContact O-CD1 3.47Å; T243-L245 PolarHBondContact O-N 2.71Å
246A39.4Very low35.4Very low14 Ų14119.7 Ų119.712%0.11670%0.7CS.*PPolyproline II helixtrans-64.6156.8164.900000111.6W305 T309A246-W305 HydrophobicContact CB-CH2 3.62Å; A246-W305 HydrophobicContact CB-CZ3 3.64Å; A246-T309 HydrophobicContact CB-CG2 4.23Å
247P36.4Very low36Very low116 Ų116119.7 Ų119.775%0.75369%0.692SS**PPolyproline II helixtrans-56.2141.7-179.1-19.730.2000112.6
248L34.8Very low36.9Very low132 Ų132114.8 Ų114.869%0.69167%0.669SS**PPolyproline II helixtrans-78.8124.4177.5-163.276.3000109.5R308L248-R308 HydrophobicContact CD1-CG 4.11Å
249A39.5Very low38.1Very low41 Ų41115.2 Ų115.234%0.33966%0.662SS.*PPolyproline II helixtrans-65.1137.2166.100000109.9R308A249-R308 VanDerWaalsContact CB-O 3.26Å; A249-R308 WeakPolarHBondContact CB-O 3.38Å; A249-R308 PolarHBondContact N-O 2.74Å
250T41.1Very low39.1Very low130 Ų130114.1 Ų114.180%0.79866%0.659SS**PPolyproline II helixtrans-71.7130.7176.247.20000110.5E252T250-E252 PolarHBondContact O-N 2.7Å
251D44.4Very low40.3Very low150 Ų150113.8 Ų113.880%0.80265%0.652SS**THydrogen-bonded Turntrans-70.711.5-171.2-72.5-44.6000116.2
252E40.8Very low41.7Very low184 Ų184109 Ų10986%0.8662%0.62SS**THydrogen-bonded Turntrans-90.80.3-164.6-71.5-165.1165.600117.1T250T250-E252 PolarHBondContact O-N 2.7Å
253E39.6Very low43.1Very low182 Ų182104.9 Ų104.985%0.8561%0.61SS**SBendtrans-132.3123.8178.2-72.2-174.7158.300113.7
254F40.3Very low44.7Very low192 Ų192102.7 Ų102.784%0.84260%0.602SS**  trans95.1109163.1-126.7-98.1000118.5
255G39.3Very low46.4Very low62 Ų6298.4 Ų98.464%0.63957%0.572SS**  trans-72.2144.6178.800000114.9L257G255-L257 VanDerWaalsContact C-N 3.26Å; G255-L257 PolarHBondContact O-N 3.21Å
256A40.4Very low48.1Very low105 Ų10595.2 Ų95.287%0.86856%0.557SS**SBendtrans47.313.315100000121.3
257L41.9Very low50Low128 Ų12898.1 Ų98.167%0.6757%0.573SS**  trans-96.48.9163.6-131.184.7000118.3G255G255-L257 VanDerWaalsContact C-N 3.26Å; G255-L257 PolarHBondContact O-N 3.21Å
258P47.8Very low52.3Low46 Ų4698.5 Ų98.530%0.29957%0.565SS.*Hα-helixtrans-66.9-44-175.1-17.729.2000115.1A260 F261 E262P258-A260 VanDerWaalsContact C-N 3.32Å; P258-A260 PolarHBondContact O-N 2.83Å; P258-F261 PolarHBondContact O-N 2.82Å; P258-E262 WeakPolarHBondContact O-CG 2.79Å; P258-E262 PolarHBondContact O-N 3.3Å
259D51.3Low54.8Low128 Ų12892.8 Ų92.868%0.68454%0.535SS*.Hα-helixtrans-64.2-35-164.5-67.2-4000113.4A263D259-A263 WeakPolarHBondContact O-CB 3.2Å; D259-A263 PolarHBondContact O-N 3.29Å
260A51.2Low57.3Low76 Ų7693.8 Ų93.863%0.62853%0.53SS*.Hα-helixtrans-70.8-37-179.300000112.3P258 A264P258-A260 VanDerWaalsContact C-N 3.32Å; P258-A260 PolarHBondContact O-N 2.83Å; A260-A264 PolarHBondContact O-N 3.11Å
261F52.2Low59.6Low114 Ų11491.9 Ų91.950%0.551%0.512SS..Hα-helixtrans-75.9-40.6179.1-155.1-85.5000110.7P258 A263 A264 D265 F306P258-F261 PolarHBondContact O-N 2.82Å; F261-A263 VanDerWaalsContact C-N 3.26Å; F261-A263 PolarHBondContact O-N 3.07Å; F261-A264 PolarHBondContact O-N 2.9Å; F261-A264 VanDerWaalsContact O-N 3.17Å; F261-D265 WeakPolarHBondContact CD1-OD2 3.5Å; F261-D265 VanDerWaalsContact CE1-OD2 3.3Å; F261-D265 WeakPolarHBondContact CE1-OD2 3.26Å; F261-D265 PolarHBondContact O-N 3.27Å; F261-F306 HydrophobicContact CB-CZ 4.23Å; F261-F306 AromaticContact CD1-CE2 3.46Å; F261-F306 HydrophobicContact CD1-CE2 3.46Å; F261-F306 VanDerWaalsContact CD1-CE2 3.46Å; F261-F306 AromaticContact CD1-CZ 3.51Å; F261-F306 HydrophobicContact CD1-CZ 3.51Å; F261-F306 AromaticContact CE1-CE2 3.88Å; F261-F306 HydrophobicContact CE1-CE2 3.88Å; F261-F306 HydrophobicContact CE1-CZ 4.32Å; F261-F306 HydrophobicContact CG-CZ 4.25Å
262E57.8Low61.8Low41 Ų4186.2 Ų86.219%0.19248%0.481CS..Hα-helixtrans-53.5-43.6170.5-76.4-176.1-166.400111.7P258 V266 F306P258-E262 WeakPolarHBondContact O-CG 2.79Å; P258-E262 PolarHBondContact O-N 3.3Å; E262-V266 WeakPolarHBondContact O-CB 3.35Å; E262-V266 WeakPolarHBondContact O-CG2 3.5Å; E262-V266 PolarHBondContact O-N 3.3Å; E262-F306 HydrophobicContact CB-CD1 4.45Å; E262-F306 HydrophobicContact CG-CD1 3.19Å; E262-F306 HydrophobicContact CG-CE1 3.4Å; E262-F306 VanDerWaalsContact CG-CE1 3.4Å; E262-F306 HydrophobicContact CG-CG 4.08Å; E262-F306 HydrophobicContact CG-CZ 4.44Å
263A59.6Low64.3Low54 Ų5477.4 Ų77.445%0.44644%0.44SS..Hα-helixtrans-66.1-39179.300000113.1D259 F261 V267D259-A263 WeakPolarHBondContact O-CB 3.2Å; D259-A263 PolarHBondContact O-N 3.29Å; F261-A263 VanDerWaalsContact C-N 3.26Å; F261-A263 PolarHBondContact O-N 3.07Å; A263-V267 WeakPolarHBondContact O-CG2 3.11Å; A263-V267 PolarHBondContact O-N 3.36Å; A263-V267 VanDerWaalsContact O-N 3.14Å
264A62.9Low66.8Low48 Ų4873.3 Ų73.340%0.39742%0.417SS..Hα-helixtrans-67.1-49.5-178.300000112A260 F261 V266 V267 E268A260-A264 PolarHBondContact O-N 3.11Å; F261-A264 PolarHBondContact O-N 2.9Å; F261-A264 VanDerWaalsContact O-N 3.17Å; A264-V266 VanDerWaalsContact C-N 3.3Å; A264-V266 PolarHBondContact O-N 2.93Å; A264-V267 PolarHBondContact O-N 3.24Å; A264-V267 VanDerWaalsContact O-N 3.14Å; A264-E268 PolarHBondContact O-N 3.48Å
265D70.7Confident69.2Low24 Ų2464.2 Ų64.213%0.12838%0.377CS..Hα-helixtrans-63.5-37.6-179.2-69.9-22.1000112F261 V267 E268 L269 N312F261-D265 WeakPolarHBondContact CD1-OD2 3.5Å; F261-D265 VanDerWaalsContact CE1-OD2 3.3Å; F261-D265 WeakPolarHBondContact CE1-OD2 3.26Å; F261-D265 PolarHBondContact O-N 3.27Å; D265-V267 VanDerWaalsContact C-N 3.34Å; D265-E268 PolarHBondContact O-N 3.03Å; D265-L269 WeakPolarHBondContact O-CB 3.34Å; D265-L269 PolarHBondContact O-N 2.87Å; D265-N312 PolarHBondContact OD1-ND2 2.95Å; D265-N312 PolarHBondContact OD2-OD1 2.76Å; D265-N312 VanDerWaalsContact OD2-OD1 3.08Å
266V78.2Confident71.8Confident32 Ų3261.3 Ų61.319%0.19435%0.347CS..Hα-helixtrans-66.2-37.8176.6172.10000111.1E262 A264 R270 E299E262-V266 WeakPolarHBondContact O-CB 3.35Å; E262-V266 WeakPolarHBondContact O-CG2 3.5Å; E262-V266 PolarHBondContact O-N 3.3Å; A264-V266 VanDerWaalsContact C-N 3.3Å; A264-V266 PolarHBondContact O-N 2.93Å; V266-R270 WeakPolarHBondContact O-CB 3.27Å; V266-R270 PolarHBondContact O-N 3.3Å; V266-E299 HydrophobicContact CG1-CB 3.96Å; V266-E299 HydrophobicContact CG1-CG 3.86Å
267V79.6Confident74.4Confident75 Ų7557.6 Ų57.646%0.45531%0.313SS..Hα-helixtrans-65.7-46.9176.1170.50000111.1A263 A264 D265 L269 R270 E271A263-V267 WeakPolarHBondContact O-CG2 3.11Å; A263-V267 PolarHBondContact O-N 3.36Å; A263-V267 VanDerWaalsContact O-N 3.14Å; A264-V267 PolarHBondContact O-N 3.24Å; A264-V267 VanDerWaalsContact O-N 3.14Å; D265-V267 VanDerWaalsContact C-N 3.34Å; V267-L269 VanDerWaalsContact C-N 3.33Å; V267-L269 PolarHBondContact O-N 3.01Å; V267-R270 WeakPolarHBondContact O-CB 3.21Å; V267-R270 PolarHBondContact O-N 3.09Å; V267-R270 VanDerWaalsContact O-N 3.17Å; V267-E271 WeakPolarHBondContact O-CG 3.36Å; V267-E271 PolarHBondContact O-N 3.45Å
268E84.4Confident76.8Confident124 Ų12455.9 Ų55.958%0.57930%0.301SS*.Hα-helixtrans-61-42.3177.7-69.3-172.9177.300112A264 D265 R270 E271 M272A264-E268 PolarHBondContact O-N 3.48Å; D265-E268 PolarHBondContact O-N 3.03Å; E268-R270 VanDerWaalsContact C-N 3.32Å; E268-R270 PolarHBondContact O-N 3.48Å; E268-E271 PolarHBondContact O-N 3.16Å; E268-M272 WeakPolarHBondContact O-CB 3.35Å; E268-M272 PolarHBondContact O-N 2.94Å
269L87.9Confident78.9Confident13 Ų1354.5 Ų54.57%0.06829%0.291CS..Hα-helixtrans-58.8-45.5175.1170.262.7000111.7D265 V267 M272 L273 F298 A302 Y313 P315D265-L269 WeakPolarHBondContact O-CB 3.34Å; D265-L269 PolarHBondContact O-N 2.87Å; V267-L269 VanDerWaalsContact C-N 3.33Å; V267-L269 PolarHBondContact O-N 3.01Å; L269-M272 HydrophobicContact CD1-CE 3.91Å; L269-M272 PolarHBondContact O-N 2.89Å; L269-L273 HydrophobicContact CD1-CD1 4.04Å; L269-L273 HydrophobicContact CD1-CG 4.23Å; L269-L273 HydrophobicContact CG-CD1 4.33Å; L269-L273 WeakPolarHBondContact O-CG 2.98Å; L269-L273 PolarHBondContact O-N 2.87Å; L269-F298 HydrophobicContact CD2-CB 4.4Å; L269-A302 HydrophobicContact CD2-CB 3.46Å; L269-A302 VanDerWaalsContact CD2-CB 3.46Å; L269-Y313 HydrophobicContact CD2-CD1 3.94Å; L269-Y313 HydrophobicContact CD2-CE1 4.32Å; L269-P315 HydrophobicContact CD1-CG 3.2Å
270R91.6Very high80.9Confident61 Ų6156.4 Ų56.423%0.2330%0.296CS..Hα-helixtrans-61.1-46.8179.3-168.1-169.6-170.7980.6111.1V266 V267 E268 L273 R274 E292 I295 E299V266-R270 WeakPolarHBondContact O-CB 3.27Å; V266-R270 PolarHBondContact O-N 3.3Å; V267-R270 WeakPolarHBondContact O-CB 3.21Å; V267-R270 PolarHBondContact O-N 3.09Å; V267-R270 VanDerWaalsContact O-N 3.17Å; E268-R270 VanDerWaalsContact C-N 3.32Å; E268-R270 PolarHBondContact O-N 3.48Å; R270-L273 PolarHBondContact O-N 3.31Å; R270-R274 VanDerWaalsContact NH2-NH2 3.19Å; R270-R274 WeakPolarHBondContact O-CB 2.95Å; R270-R274 WeakPolarHBondContact O-CG 3.36Å; R270-R274 PolarHBondContact O-N 3.18Å; R270-E292 IonicContact CZ-OE2 2.72Å; R270-E292 IonicContact NE-OE2 3.84Å; R270-E292 IonicContact NH2-OE2 3.02Å; R270-E292 PolarHBondContact NH2-OE2 3.27Å; R270-I295 HydrophobicContact CB-CG2 4.34Å; R270-I295 HydrophobicContact CG-CG2 3.73Å; R270-E299 WeakPolarHBondContact CB-OE1 3.31Å; R270-E299 VanDerWaalsContact CD-OE1 3.3Å; R270-E299 WeakPolarHBondContact CD-OE1 3.49Å; R270-E299 VanDerWaalsContact CG-OE1 3.28Å; R270-E299 WeakPolarHBondContact CG-OE1 3.5Å; R270-E299 IonicContact CZ-OE1 3.24Å; R270-E299 IonicContact NE-OE1 3.94Å; R270-E299 VanDerWaalsContact NH1-CD 3.27Å; R270-E299 IonicContact NH1-OE1 2.85Å; R270-E299 PolarHBondContact NH1-OE1 3.24Å; R270-E299 IonicContact NH1-OE2 2.78Å; R270-E299 PolarHBondContact NH1-OE2 3.43Å
271E90.2Very high83Confident90 Ų9055.2 Ų55.242%0.42128%0.276SS..Hα-helixtrans-62.2-45.4179.4-72.2178.3167.500111.2V267 E268 L273 R274 A275V267-E271 WeakPolarHBondContact O-CG 3.36Å; V267-E271 PolarHBondContact O-N 3.45Å; E268-E271 PolarHBondContact O-N 3.16Å; E271-L273 PolarHBondContact O-N 3.48Å; E271-R274 PolarHBondContact O-N 3.42Å; E271-A275 WeakPolarHBondContact O-CB 3.37Å; E271-A275 PolarHBondContact O-N 3.18Å
272M89.9Confident85Confident31 Ų3149.8 Ų49.815%0.15325%0.253CS..Hα-helixtrans-58.7-44.2176-176.1-76.7-58.500112.3K143 E268 L269 A275 P315K143-M272 HydrophobicContact CD-SD 4.15Å; E268-M272 WeakPolarHBondContact O-CB 3.35Å; E268-M272 PolarHBondContact O-N 2.94Å; L269-M272 HydrophobicContact CD1-CE 3.91Å; L269-M272 PolarHBondContact O-N 2.89Å; M272-A275 WeakPolarHBondContact O-CB 3.48Å; M272-A275 PolarHBondContact O-N 2.91Å; M272-P315 HydrophobicContact CE-CG 3.74Å
273L93.3Very high86.7Confident0 Ų053.4 Ų53.40%027%0.268CS..Hα-helixtrans-69.2-37.6177.3-69.4175.4000112.3L140 L269 R270 E271 A275 L276 I290 I295 F298L140-L273 HydrophobicContact CD2-CD2 4.15Å; L269-L273 HydrophobicContact CD1-CD1 4.04Å; L269-L273 HydrophobicContact CD1-CG 4.23Å; L269-L273 HydrophobicContact CG-CD1 4.33Å; L269-L273 WeakPolarHBondContact O-CG 2.98Å; L269-L273 PolarHBondContact O-N 2.87Å; R270-L273 PolarHBondContact O-N 3.31Å; E271-L273 PolarHBondContact O-N 3.48Å; L273-A275 VanDerWaalsContact C-N 3.32Å; L273-L276 HydrophobicContact CD2-CD1 4.19Å; L273-L276 WeakPolarHBondContact O-CB 3.44Å; L273-L276 PolarHBondContact O-N 2.98Å; L273-I290 HydrophobicContact CB-CD1 4.37Å; L273-I290 HydrophobicContact CD1-CD1 4.18Å; L273-I290 HydrophobicContact CD2-CD1 4.11Å; L273-I290 HydrophobicContact CG-CD1 4.46Å; L273-I290 WeakPolarHBondContact O-CG2 3.27Å; L273-I295 HydrophobicContact CB-CD1 4.16Å; L273-I295 HydrophobicContact CB-CG1 3.89Å; L273-I295 HydrophobicContact CB-CG2 4.43Å; L273-I295 HydrophobicContact CD1-CB 4.42Å; L273-I295 HydrophobicContact CD1-CG1 4.25Å; L273-I295 HydrophobicContact CD1-CG2 4.1Å; L273-F298 HydrophobicContact CD1-CB 3.76Å; L273-F298 HydrophobicContact CD1-CD2 3.77Å; L273-F298 HydrophobicContact CD1-CG 3.91Å
274R92.3Very high88.4Confident96 Ų9654.6 Ų54.636%0.36227%0.273SS..Hα-helixtrans-65-36.1173.5-78-179.2171.1168.4-3.9112.1R270 E271 L276 N277 E292 I295R270-R274 VanDerWaalsContact NH2-NH2 3.19Å; R270-R274 WeakPolarHBondContact O-CB 2.95Å; R270-R274 WeakPolarHBondContact O-CG 3.36Å; R270-R274 PolarHBondContact O-N 3.18Å; E271-R274 PolarHBondContact O-N 3.42Å; R274-L276 PolarHBondContact O-N 2.94Å; R274-N277 WeakPolarHBondContact O-CB 3.36Å; R274-N277 PolarHBondContact O-N 2.99Å; R274-E292 IonicContact CZ-OE1 2.88Å; R274-E292 IonicContact CZ-OE2 3.08Å; R274-E292 IonicContact NE-OE1 3.02Å; R274-E292 PolarHBondContact NE-OE1 3.45Å; R274-E292 IonicContact NE-OE2 2.84Å; R274-E292 PolarHBondContact NE-OE2 3.03Å; R274-E292 IonicContact NH2-OE1 2.79Å; R274-E292 PolarHBondContact NH2-OE1 3.25Å; R274-E292 IonicContact NH2-OE2 3.28Å; R274-E292 PolarHBondContact NH2-OE2 3.2Å; R274-I295 HydrophobicContact CG-CD1 3.7Å
275A91Very high89.8Confident1 Ų152.7 Ų52.71%0.00826%0.257CS..Hα-helixtrans-60.9-26.9178.400000112.5N156 E271 M272 L273 N277 Q278N156-A275 HydrophobicContact CB-CB 4.09Å; N156-A275 PolarHBondContact ND2-O 3.41Å; E271-A275 WeakPolarHBondContact O-CB 3.37Å; E271-A275 PolarHBondContact O-N 3.18Å; M272-A275 WeakPolarHBondContact O-CB 3.48Å; M272-A275 PolarHBondContact O-N 2.91Å; L273-A275 VanDerWaalsContact C-N 3.32Å; A275-N277 VanDerWaalsContact C-N 3.26Å; A275-N277 PolarHBondContact O-N 3.46Å; A275-Q278 WeakPolarHBondContact O-CB 3.45Å; A275-Q278 PolarHBondContact O-N 2.7Å
276L93.4Very high91Very high1 Ų152.9 Ų52.91%0.00526%0.256CS..Hα-helixtrans-59.3-37.4173.3-56.5-175.1000112.3L136 V139 L140 F153 L273 R274 Q278L136-L276 HydrophobicContact CD1-CD1 3.68Å; V139-L276 HydrophobicContact CG1-CD1 4.26Å; V139-L276 HydrophobicContact CG1-CD2 3.82Å; L140-L276 HydrophobicContact CD2-CD1 4.35Å; F153-L276 HydrophobicContact CB-CD2 4.17Å; F153-L276 HydrophobicContact CD1-CD2 3.5Å; F153-L276 VanDerWaalsContact CD1-CD2 3.5Å; F153-L276 HydrophobicContact CD2-CD2 4.4Å; F153-L276 HydrophobicContact CE1-CD2 3.9Å; F153-L276 HydrophobicContact CG-CD2 3.77Å; L273-L276 HydrophobicContact CD2-CD1 4.19Å; L273-L276 WeakPolarHBondContact O-CB 3.44Å; L273-L276 PolarHBondContact O-N 2.98Å; R274-L276 PolarHBondContact O-N 2.94Å; L276-Q278 PolarHBondContact O-N 2.74Å
277N94.7Very high91.7Very high27 Ų2753 Ų5314%0.14426%0.264CS..THydrogen-bonded Turntrans-74.9-13.1177.8-64.7-32.1000112.7R274 A275 D279 K283 L289 I290R274-N277 WeakPolarHBondContact O-CB 3.36Å; R274-N277 PolarHBondContact O-N 2.99Å; A275-N277 VanDerWaalsContact C-N 3.26Å; A275-N277 PolarHBondContact O-N 3.46Å; N277-D279 VanDerWaalsContact C-N 3.34Å; N277-K283 VanDerWaalsContact O-CE 3.29Å; N277-K283 WeakPolarHBondContact O-CE 3.08Å; N277-K283 WeakPolarHBondContact O-CG 3.17Å; N277-L289 PolarHBondContact OD1-N 3.07Å; N277-I290 PolarHBondContact ND2-O 2.8Å; N277-I290 PolarHBondContact OD1-N 3.03Å; N277-I290 VanDerWaalsContact OD1-N 3.11Å
278Q91.9Very high92.4Very high92 Ų9252.6 Ų52.643%0.4326%0.262SS..THydrogen-bonded Turntrans-82.2-16.3179.4-62-175.814.400112.7N156 A275 L276 K283N156-Q278 HydrophobicContact CB-CB 4.42Å; N156-Q278 WeakPolarHBondContact ND2-CB 2.97Å; A275-Q278 WeakPolarHBondContact O-CB 3.45Å; A275-Q278 PolarHBondContact O-N 2.7Å; L276-Q278 PolarHBondContact O-N 2.74Å; Q278-K283 WeakPolarHBondContact O-CE 3.48Å; Q278-K283 PolarHBondContact O-NZ 3.45Å
279D93.4Very high93Very high16 Ų1646.7 Ų46.79%0.08623%0.234CC..SBendtrans-61135.2178.2179.5-89.7000112.5R152 F153 N277 K281 V282 K283R152-D279 IonicContact CZ-OD1 3.87Å; R152-D279 IonicContact CZ-OD2 3.62Å; R152-D279 VanDerWaalsContact CZ-OD2 3.29Å; R152-D279 IonicContact NE-OD1 3.05Å; R152-D279 IonicContact NE-OD2 3.14Å; R152-D279 PolarHBondContact NE-OD2 3.45Å; R152-D279 VanDerWaalsContact NH2-CG 3.28Å; R152-D279 IonicContact NH2-OD1 2.88Å; R152-D279 PolarHBondContact NH2-OD1 2.8Å; R152-D279 IonicContact NH2-OD2 2.7Å; R152-D279 PolarHBondContact NH2-OD2 2.64Å; F153-D279 HydrophobicContact CD1-CB 4.37Å; F153-D279 HydrophobicContact CE1-CB 3.62Å; F153-D279 HydrophobicContact CZ-CB 4.38Å; N277-D279 VanDerWaalsContact C-N 3.34Å; D279-K281 PolarHBondContact O-N 2.87Å; D279-K281 WeakPolarHBondContact OD1-CA 3.42Å; D279-K281 WeakPolarHBondContact OD1-CB 3.37Å; D279-K281 PolarHBondContact OD1-N 3.26Å; D279-V282 HydrophobicContact CB-CB 4.02Å; D279-V282 HydrophobicContact CB-CG2 3.91Å; D279-V282 PolarHBondContact O-N 2.9Å; D279-V282 PolarHBondContact OD1-N 3.17Å; D279-K283 WeakPolarHBondContact O-CG 3.41Å; D279-K283 PolarHBondContact O-N 3.38Å
280Q93.6Very high93.5Very high169 Ų16946.1 Ų46.179%0.7923%0.231SC*.Hα-helixtrans-63.4-41.2-174.5-175178.4-2.800112.4K283 S284Q280-K283 PolarHBondContact O-N 3.33Å; Q280-S284 PolarHBondContact O-N 2.97Å; Q280-S284 VanDerWaalsContact O-N 3.08Å; Q280-S284 PolarHBondContact O-OG 2.79Å
281K94.1Very high93.8Very high50 Ų5045.4 Ų45.422%0.21723%0.233CC..Hα-helixtrans-69.7-41.9-179.9-172.965.9-177.9167.10110.2D279 K283 S284 S285 D448 L451 D452D279-K281 PolarHBondContact O-N 2.87Å; D279-K281 WeakPolarHBondContact OD1-CA 3.42Å; D279-K281 WeakPolarHBondContact OD1-CB 3.37Å; D279-K281 PolarHBondContact OD1-N 3.26Å; K281-K283 PolarHBondContact O-N 3.48Å; K281-S284 WeakPolarHBondContact CA-OG 3.44Å; K281-S284 PolarHBondContact O-N 2.95Å; K281-S284 PolarHBondContact O-OG 2.87Å; K281-S285 PolarHBondContact O-N 3.46Å; K281-S285 PolarHBondContact O-OG 2.96Å; K281-S285 VanDerWaalsContact O-OG 3.08Å; K281-D448 WeakPolarHBondContact CB-OD1 3.36Å; K281-D448 HydrophobicContact CD-CB 4.34Å; K281-D448 VanDerWaalsContact CE-O 3.27Å; K281-D448 WeakPolarHBondContact CE-O 3.42Å; K281-D448 HydrophobicContact CG-CB 4.1Å; K281-D448 WeakPolarHBondContact CG-OD1 3.32Å; K281-L451 HydrophobicContact CB-CD1 4.3Å; K281-L451 HydrophobicContact CG-CB 4.25Å; K281-L451 HydrophobicContact CG-CD1 3.92Å; K281-D452 IonicContact NZ-OD1 3.7Å; K281-D452 PolarHBondContact NZ-OD1 3.44Å
282V94.5Very high94.1Very high0 Ų044.8 Ų44.80%023%0.231CC..Hα-helixtrans-56.9-46.9174.51710000111.8D279 S284 S285 F286 G287 L289 L451D279-V282 HydrophobicContact CB-CB 4.02Å; D279-V282 HydrophobicContact CB-CG2 3.91Å; D279-V282 PolarHBondContact O-N 2.9Å; D279-V282 PolarHBondContact OD1-N 3.17Å; V282-S284 VanDerWaalsContact C-N 3.32Å; V282-S284 PolarHBondContact O-N 2.91Å; V282-S285 PolarHBondContact O-N 3.19Å; V282-S285 PolarHBondContact O-OG 3.36Å; V282-F286 PolarHBondContact O-N 3.45Å; V282-G287 PolarHBondContact O-N 3.04Å; V282-L289 HydrophobicContact CG1-CB 3.68Å; V282-L289 HydrophobicContact CG2-CD2 4.38Å; V282-L451 HydrophobicContact CG2-CD1 3.95Å; V282-L451 HydrophobicContact CG2-CD2 4.44Å
283K94.1Very high94.4Very high117 Ų11751.7 Ų51.751%0.50926%0.26SS..Hα-helixtrans-59.8-41.3176.3-75172.9177.1157.60112.4N277 Q278 D279 Q280 K281 G287N277-K283 VanDerWaalsContact O-CE 3.29Å; N277-K283 WeakPolarHBondContact O-CE 3.08Å; N277-K283 WeakPolarHBondContact O-CG 3.17Å; Q278-K283 WeakPolarHBondContact O-CE 3.48Å; Q278-K283 PolarHBondContact O-NZ 3.45Å; D279-K283 WeakPolarHBondContact O-CG 3.41Å; D279-K283 PolarHBondContact O-N 3.38Å; Q280-K283 PolarHBondContact O-N 3.33Å; K281-K283 PolarHBondContact O-N 3.48Å; K283-G287 VanDerWaalsContact O-CA 3.3Å; K283-G287 WeakPolarHBondContact O-CA 3.41Å; K283-G287 PolarHBondContact O-N 2.92Å
284S94.4Very high94.6Very high79 Ų7952.5 Ų52.555%0.55226%0.264SS*.Hα-helixtrans-74-24.9-178.5700000114.4Q280 K281 V282Q280-S284 PolarHBondContact O-N 2.97Å; Q280-S284 VanDerWaalsContact O-N 3.08Å; Q280-S284 PolarHBondContact O-OG 2.79Å; K281-S284 WeakPolarHBondContact CA-OG 3.44Å; K281-S284 PolarHBondContact O-N 2.95Å; K281-S284 PolarHBondContact O-OG 2.87Å; V282-S284 VanDerWaalsContact C-N 3.32Å; V282-S284 PolarHBondContact O-N 2.91Å
285S93.3Very high94.9Very high8 Ų848 Ų486%0.05625%0.246CC..Hα-helixtrans-94.7-68.1179.956.70000111.8K281 V282 Y455K281-S285 PolarHBondContact O-N 3.46Å; K281-S285 PolarHBondContact O-OG 2.96Å; K281-S285 VanDerWaalsContact O-OG 3.08Å; V282-S285 PolarHBondContact O-N 3.19Å; V282-S285 PolarHBondContact O-OG 3.36Å; S285-Y455 WeakPolarHBondContact O-CD2 3.47Å; S285-Y455 WeakPolarHBondContact O-CE2 3.41Å
286F94.8Very high95.1Very high28 Ų2850 Ų5012%0.12326%0.26CS..THydrogen-bonded Turntrans-100.3-12.3-174.9-69.2-77.7000113.6L128 M131 R132 V282 V288 L289 L451 Y455L128-F286 HydrophobicContact CD2-CD1 4.47Å; L128-F286 HydrophobicContact CD2-CE1 4.21Å; M131-F286 HydrophobicContact CB-CE1 4.2Å; M131-F286 HydrophobicContact CB-CZ 3.99Å; R132-F286 HydrophobicContact CG-CB 4.09Å; R132-F286 HydrophobicContact CG-CD1 3.28Å; R132-F286 HydrophobicContact CG-CE1 3.76Å; R132-F286 HydrophobicContact CG-CG 3.74Å; V282-F286 PolarHBondContact O-N 3.45Å; F286-V288 PolarHBondContact O-N 2.94Å; F286-L289 HydrophobicContact CD2-CD1 4.35Å; F286-L451 HydrophobicContact CD2-CD2 4.16Å; F286-L451 HydrophobicContact CE2-CD2 4.17Å; F286-Y455 HydrophobicContact CD1-CD2 4.12Å; F286-Y455 HydrophobicContact CE1-CD2 4.15Å
287G92.8Very high95.2Very high34 Ų3451.9 Ų51.935%0.35127%0.274SS..SBendtrans73.9-60.1-171.500000111.9V282 K283V282-G287 PolarHBondContact O-N 3.04Å; K283-G287 VanDerWaalsContact O-CA 3.3Å; K283-G287 WeakPolarHBondContact O-CA 3.41Å; K283-G287 PolarHBondContact O-N 2.92Å
288V95.6Very high95.2Very high68 Ų6850.6 Ų50.641%0.41227%0.267SS..  trans-128.9115.2177.2177.40000108.8R132 F286 I290R132-V288 PolarHBondContact NE-O 3.14Å; F286-V288 PolarHBondContact O-N 2.94Å; V288-I290 WeakPolarHBondContact CG1-O 3.47Å
289L96.4Very high95.3Very high0 Ų047.4 Ų47.40%025%0.252CS..SBendtrans-76.7-47.8177.4-170.561.4000110.9R132 N135 L136 V139 N277 V282 F286R132-L289 HydrophobicContact CB-CD1 4.46Å; R132-L289 PolarHBondContact NE-O 3.07Å; R132-L289 VanDerWaalsContact NE-O 3.13Å; R132-L289 PolarHBondContact NH2-O 3.38Å; R132-L289 WeakPolarHBondContact O-CD1 3.41Å; N135-L289 HydrophobicContact CB-CD1 3.97Å; L136-L289 HydrophobicContact CB-CD1 4.48Å; L136-L289 HydrophobicContact CB-CD2 4.36Å; L136-L289 HydrophobicContact CB-CG 4.13Å; L136-L289 HydrophobicContact CD1-CD2 4.21Å; L136-L289 HydrophobicContact CD1-CG 4.35Å; V139-L289 HydrophobicContact CG2-CD2 4.07Å; N277-L289 PolarHBondContact OD1-N 3.07Å; V282-L289 HydrophobicContact CG1-CB 3.68Å; V282-L289 HydrophobicContact CG2-CD2 4.38Å; F286-L289 HydrophobicContact CD2-CD1 4.35Å
290I97.6Very high95.2Very high1 Ų155.9 Ų55.91%0.00528%0.283CS..SBendtrans-122.4131.8-178.9-167.3177000111.7L136 L273 N277 V288 E294 I295 F298L136-I290 HydrophobicContact CD1-CB 4.19Å; L136-I290 HydrophobicContact CD1-CD1 4.34Å; L136-I290 HydrophobicContact CD2-CB 4.03Å; L136-I290 HydrophobicContact CD2-CD1 3.82Å; L136-I290 HydrophobicContact CD2-CG1 3.88Å; L273-I290 HydrophobicContact CB-CD1 4.37Å; L273-I290 HydrophobicContact CD1-CD1 4.18Å; L273-I290 HydrophobicContact CD2-CD1 4.11Å; L273-I290 HydrophobicContact CG-CD1 4.46Å; L273-I290 WeakPolarHBondContact O-CG2 3.27Å; N277-I290 PolarHBondContact ND2-O 2.8Å; N277-I290 PolarHBondContact OD1-N 3.03Å; N277-I290 VanDerWaalsContact OD1-N 3.11Å; V288-I290 WeakPolarHBondContact CG1-O 3.47Å; I290-E294 VanDerWaalsContact CA-OE2 3.31Å; I290-E294 WeakPolarHBondContact CA-OE2 3.34Å; I290-E294 HydrophobicContact CD1-CB 4.26Å; I290-E294 HydrophobicContact CG1-CB 3.64Å; I290-I295 HydrophobicContact CD1-CG1 3.75Å; I290-I295 HydrophobicContact CG1-CG1 3.94Å; I290-I295 HydrophobicContact CG2-CD1 4.24Å; I290-I295 HydrophobicContact CG2-CG1 4.17Å; I290-F298 HydrophobicContact CD1-CD2 4.02Å; I290-F298 HydrophobicContact CD1-CE2 3.9Å
291T97.9Very high95.1Very high45 Ų4550.6 Ų50.628%0.27626%0.259SS..  trans-88.4162.6178.768.30000113K293 E294 I295T291-K293 VanDerWaalsContact C-N 3.27Å; T291-K293 PolarHBondContact O-N 3.21Å; T291-E294 WeakPolarHBondContact CG2-OE1 3.49Å; T291-E294 PolarHBondContact N-OE2 3.49Å; T291-E294 WeakPolarHBondContact O-CB 3.41Å; T291-E294 PolarHBondContact O-N 3.44Å; T291-E294 VanDerWaalsContact OG1-CG 3.32Å; T291-E294 WeakPolarHBondContact OG1-CG 3.47Å; T291-E294 PolarHBondContact OG1-N 2.86Å; T291-E294 PolarHBondContact OG1-OE1 2.9Å; T291-I295 WeakPolarHBondContact O-CG1 3.27Å; T291-I295 PolarHBondContact O-N 3.46Å
292E96.3Very high94.9Very high78 Ų7848.6 Ų48.636%0.36425%0.252SS..Hα-helixtrans-58.2-34.8177-65.2-66.9136.500113.5R270 R274 I295 S296R270-E292 IonicContact CZ-OE2 2.72Å; R270-E292 IonicContact NE-OE2 3.84Å; R270-E292 IonicContact NH2-OE2 3.02Å; R270-E292 PolarHBondContact NH2-OE2 3.27Å; R274-E292 IonicContact CZ-OE1 2.88Å; R274-E292 IonicContact CZ-OE2 3.08Å; R274-E292 IonicContact NE-OE1 3.02Å; R274-E292 PolarHBondContact NE-OE1 3.45Å; R274-E292 IonicContact NE-OE2 2.84Å; R274-E292 PolarHBondContact NE-OE2 3.03Å; R274-E292 IonicContact NH2-OE1 2.79Å; R274-E292 PolarHBondContact NH2-OE1 3.25Å; R274-E292 IonicContact NH2-OE2 3.28Å; R274-E292 PolarHBondContact NH2-OE2 3.2Å; E292-I295 PolarHBondContact O-N 2.92Å; E292-S296 PolarHBondContact O-N 2.92Å; E292-S296 PolarHBondContact O-OG 3.22Å
293K97.1Very high94.6Very high176 Ų17649.9 Ų49.977%0.76526%0.263SS*.Hα-helixtrans-70.7-34.9176.3-66.6-176.3179.6179.50112.3T291 S297T291-K293 VanDerWaalsContact C-N 3.27Å; T291-K293 PolarHBondContact O-N 3.21Å; K293-S297 PolarHBondContact O-N 3.46Å; K293-S297 VanDerWaalsContact O-N 3.14Å; K293-S297 PolarHBondContact O-OG 3.24Å
294E98Very high94.2Very high17 Ų1747.3 Ų47.38%0.07925%0.254CS..Hα-helixtrans-70.1-40.4174.8-68.7151.7-144.800110.4R132 Y133 I290 T291 S297 F298 W323R132-E294 IonicContact NH2-OE1 2.74Å; R132-E294 PolarHBondContact NH2-OE1 3.37Å; R132-E294 IonicContact NH2-OE2 3.14Å; R132-E294 PolarHBondContact NH2-OE2 2.87Å; R132-E294 VanDerWaalsContact NH2-OE2 3.13Å; Y133-E294 HydrophobicContact CE1-CG 4.21Å; Y133-E294 PolarHBondContact OH-OE1 3.33Å; I290-E294 VanDerWaalsContact CA-OE2 3.31Å; I290-E294 WeakPolarHBondContact CA-OE2 3.34Å; I290-E294 HydrophobicContact CD1-CB 4.26Å; I290-E294 HydrophobicContact CG1-CB 3.64Å; T291-E294 WeakPolarHBondContact CG2-OE1 3.49Å; T291-E294 PolarHBondContact N-OE2 3.49Å; T291-E294 WeakPolarHBondContact O-CB 3.41Å; T291-E294 PolarHBondContact O-N 3.44Å; T291-E294 VanDerWaalsContact OG1-CG 3.32Å; T291-E294 WeakPolarHBondContact OG1-CG 3.47Å; T291-E294 PolarHBondContact OG1-N 2.86Å; T291-E294 PolarHBondContact OG1-OE1 2.9Å; E294-S297 VanDerWaalsContact O-CB 3.27Å; E294-S297 WeakPolarHBondContact O-CB 3.32Å; E294-S297 PolarHBondContact O-N 2.91Å; E294-S297 VanDerWaalsContact O-N 3.1Å; E294-F298 WeakPolarHBondContact O-CD2 3.33Å; E294-F298 PolarHBondContact O-N 2.97Å; E294-W323 HydrophobicContact CB-CH2 3.98Å; E294-W323 HydrophobicContact CB-CZ3 3.79Å; E294-W323 HydrophobicContact CG-CE3 4.41Å; E294-W323 HydrophobicContact CG-CH2 4.44Å; E294-W323 HydrophobicContact CG-CZ3 3.92Å
295I97.2Very high93.8Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-58.9-49.5172-66.1173000110.4R270 L273 R274 I290 T291 E292 S297 F298 E299R270-I295 HydrophobicContact CB-CG2 4.34Å; R270-I295 HydrophobicContact CG-CG2 3.73Å; L273-I295 HydrophobicContact CB-CD1 4.16Å; L273-I295 HydrophobicContact CB-CG1 3.89Å; L273-I295 HydrophobicContact CB-CG2 4.43Å; L273-I295 HydrophobicContact CD1-CB 4.42Å; L273-I295 HydrophobicContact CD1-CG1 4.25Å; L273-I295 HydrophobicContact CD1-CG2 4.1Å; R274-I295 HydrophobicContact CG-CD1 3.7Å; I290-I295 HydrophobicContact CD1-CG1 3.75Å; I290-I295 HydrophobicContact CG1-CG1 3.94Å; I290-I295 HydrophobicContact CG2-CD1 4.24Å; I290-I295 HydrophobicContact CG2-CG1 4.17Å; T291-I295 WeakPolarHBondContact O-CG1 3.27Å; T291-I295 PolarHBondContact O-N 3.46Å; E292-I295 PolarHBondContact O-N 2.92Å; I295-S297 PolarHBondContact O-N 3.45Å; I295-S297 VanDerWaalsContact O-N 3.11Å; I295-F298 WeakPolarHBondContact O-CA 3.42Å; I295-F298 WeakPolarHBondContact O-CB 3.4Å; I295-F298 PolarHBondContact O-N 3.32Å; I295-E299 HydrophobicContact CG2-CG 4.31Å; I295-E299 PolarHBondContact O-N 2.93Å
296S95.9Very high93.4Very high43 Ų4344.6 Ų44.630%0.30123%0.231SC..Hα-helixtrans-63.5-19.6176.9-67.10000114.3E292 E299 R300E292-S296 PolarHBondContact O-N 2.92Å; E292-S296 PolarHBondContact O-OG 3.22Å; S296-E299 WeakPolarHBondContact CA-OE2 3.21Å; S296-E299 WeakPolarHBondContact CB-OE2 3.4Å; S296-E299 PolarHBondContact OG-OE2 3.39Å; S296-R300 VanDerWaalsContact O-CG 3.32Å; S296-R300 WeakPolarHBondContact O-CG 3.48Å; S296-R300 PolarHBondContact O-N 3.42Å; S296-R300 VanDerWaalsContact O-N 3.15Å
297S95.5Very high93Very high41 Ų4150.1 Ų50.129%0.28725%0.252SS..Hα-helixtrans-70.1-39.4169.5-57.10000111.6K293 E294 I295 I301K293-S297 PolarHBondContact O-N 3.46Å; K293-S297 VanDerWaalsContact O-N 3.14Å; K293-S297 PolarHBondContact O-OG 3.24Å; E294-S297 VanDerWaalsContact O-CB 3.27Å; E294-S297 WeakPolarHBondContact O-CB 3.32Å; E294-S297 PolarHBondContact O-N 2.91Å; E294-S297 VanDerWaalsContact O-N 3.1Å; I295-S297 PolarHBondContact O-N 3.45Å; I295-S297 VanDerWaalsContact O-N 3.11Å; S297-I301 WeakPolarHBondContact O-CG1 3.42Å; S297-I301 PolarHBondContact O-N 2.74Å
298F95.6Very high92.6Very high0 Ų049.9 Ų49.90%024%0.24CC..Hα-helixtrans-67.7-40.8171.1-76.5-77.6000112.3L140 L269 L273 I290 E294 I295 R300 I301 A302 Y313 P315 I319 P320 W323L140-F298 HydrophobicContact CD1-CE1 4.42Å; L140-F298 HydrophobicContact CD1-CZ 3.88Å; L269-F298 HydrophobicContact CD2-CB 4.4Å; L273-F298 HydrophobicContact CD1-CB 3.76Å; L273-F298 HydrophobicContact CD1-CD2 3.77Å; L273-F298 HydrophobicContact CD1-CG 3.91Å; I290-F298 HydrophobicContact CD1-CD2 4.02Å; I290-F298 HydrophobicContact CD1-CE2 3.9Å; E294-F298 WeakPolarHBondContact O-CD2 3.33Å; E294-F298 PolarHBondContact O-N 2.97Å; I295-F298 WeakPolarHBondContact O-CA 3.42Å; I295-F298 WeakPolarHBondContact O-CB 3.4Å; I295-F298 PolarHBondContact O-N 3.32Å; F298-R300 VanDerWaalsContact C-N 3.28Å; F298-R300 PolarHBondContact O-N 3.49Å; F298-I301 PolarHBondContact O-N 3.49Å; F298-I301 VanDerWaalsContact O-N 3.09Å; F298-A302 WeakPolarHBondContact O-CB 3.35Å; F298-A302 PolarHBondContact O-N 3.24Å; F298-Y313 HydrophobicContact CD1-CE1 4.16Å; F298-P315 HydrophobicContact CD1-CB 3.94Å; F298-P315 HydrophobicContact CD1-CG 4.45Å; F298-P315 HydrophobicContact CE1-CB 3.83Å; F298-I319 HydrophobicContact CD1-CD1 4.17Å; F298-I319 HydrophobicContact CE1-CB 4.04Å; F298-I319 HydrophobicContact CE1-CD1 3.77Å; F298-I319 HydrophobicContact CE1-CG2 4.05Å; F298-I319 HydrophobicContact CZ-CB 4.18Å; F298-I319 HydrophobicContact CZ-CG2 4.01Å; F298-P320 HydrophobicContact CZ-CG 4.02Å; F298-W323 AromaticContact CD2-CH2 3.85Å; F298-W323 HydrophobicContact CD2-CH2 3.85Å; F298-W323 AromaticContact CE2-CH2 3.43Å; F298-W323 HydrophobicContact CE2-CH2 3.43Å; F298-W323 VanDerWaalsContact CE2-CH2 3.43Å; F298-W323 HydrophobicContact CE2-CZ2 4.28Å; F298-W323 HydrophobicContact CE2-CZ3 4.01Å; F298-W323 HydrophobicContact CZ-CH2 4.13Å
299E93.1Very high92.2Very high26 Ų2648 Ų4812%0.12123%0.229CC..Hα-helixtrans-58-40.7177.2-64.6175.4142.900111.6V266 R270 I295 S296 I301 A302 A303V266-E299 HydrophobicContact CG1-CB 3.96Å; V266-E299 HydrophobicContact CG1-CG 3.86Å; R270-E299 WeakPolarHBondContact CB-OE1 3.31Å; R270-E299 VanDerWaalsContact CD-OE1 3.3Å; R270-E299 WeakPolarHBondContact CD-OE1 3.49Å; R270-E299 VanDerWaalsContact CG-OE1 3.28Å; R270-E299 WeakPolarHBondContact CG-OE1 3.5Å; R270-E299 IonicContact CZ-OE1 3.24Å; R270-E299 IonicContact NE-OE1 3.94Å; R270-E299 VanDerWaalsContact NH1-CD 3.27Å; R270-E299 IonicContact NH1-OE1 2.85Å; R270-E299 PolarHBondContact NH1-OE1 3.24Å; R270-E299 IonicContact NH1-OE2 2.78Å; R270-E299 PolarHBondContact NH1-OE2 3.43Å; I295-E299 HydrophobicContact CG2-CG 4.31Å; I295-E299 PolarHBondContact O-N 2.93Å; S296-E299 WeakPolarHBondContact CA-OE2 3.21Å; S296-E299 WeakPolarHBondContact CB-OE2 3.4Å; S296-E299 PolarHBondContact OG-OE2 3.39Å; E299-I301 VanDerWaalsContact C-N 3.34Å; E299-I301 PolarHBondContact O-N 3.32Å; E299-A302 WeakPolarHBondContact O-CB 3.17Å; E299-A302 PolarHBondContact O-N 2.96Å; E299-A303 PolarHBondContact O-N 3.09Å
300R92.1Very high91.5Very high194 Ų19452.8 Ų52.873%0.73225%0.249SC*.Hα-helixtrans-63.8-38.7175.8-75174.763-138.2-3.9112.9S296 F298 D304S296-R300 VanDerWaalsContact O-CG 3.32Å; S296-R300 WeakPolarHBondContact O-CG 3.48Å; S296-R300 PolarHBondContact O-N 3.42Å; S296-R300 VanDerWaalsContact O-N 3.15Å; F298-R300 VanDerWaalsContact C-N 3.28Å; F298-R300 PolarHBondContact O-N 3.49Å; R300-D304 PolarHBondContact O-N 3.2Å
301I91Very high90.7Very high58 Ų5854 Ų5430%0.29726%0.257SS..Hα-helixtrans-68.8-41.1176.6-63.5168000109.5S297 F298 E299 D304 W305 Y313 I319S297-I301 WeakPolarHBondContact O-CG1 3.42Å; S297-I301 PolarHBondContact O-N 2.74Å; F298-I301 PolarHBondContact O-N 3.49Å; F298-I301 VanDerWaalsContact O-N 3.09Å; E299-I301 VanDerWaalsContact C-N 3.34Å; E299-I301 PolarHBondContact O-N 3.32Å; I301-D304 PolarHBondContact O-N 3.03Å; I301-W305 VanDerWaalsContact O-CB 3.26Å; I301-W305 WeakPolarHBondContact O-CB 3.43Å; I301-W305 PolarHBondContact O-N 2.86Å; I301-Y313 HydrophobicContact CG2-CD2 4.29Å; I301-Y313 HydrophobicContact CG2-CE1 4.33Å; I301-Y313 HydrophobicContact CG2-CE2 3.54Å; I301-I319 HydrophobicContact CD1-CD1 3.59Å; I301-I319 HydrophobicContact CD1-CG1 4.48Å
302A88.7Confident89.8Confident7 Ų754.6 Ų54.66%0.05826%0.258CS..Hα-helixtrans-61.4-45.5177.400000112.5L269 F298 E299 D304 W305 F306 Y313L269-A302 HydrophobicContact CD2-CB 3.46Å; L269-A302 VanDerWaalsContact CD2-CB 3.46Å; F298-A302 WeakPolarHBondContact O-CB 3.35Å; F298-A302 PolarHBondContact O-N 3.24Å; E299-A302 WeakPolarHBondContact O-CB 3.17Å; E299-A302 PolarHBondContact O-N 2.96Å; A302-D304 PolarHBondContact O-N 3.3Å; A302-W305 WeakPolarHBondContact O-CB 3.12Å; A302-W305 PolarHBondContact O-N 2.89Å; A302-F306 WeakPolarHBondContact O-CB 2.97Å; A302-F306 PolarHBondContact O-N 2.92Å; A302-Y313 HydrophobicContact CB-CD1 3.46Å; A302-Y313 VanDerWaalsContact CB-CD1 3.46Å; A302-Y313 HydrophobicContact CB-CE1 4.26Å; A302-Y313 HydrophobicContact CB-CG 3.82Å
303A88.5Confident89.2Confident28 Ų2851.9 Ų51.923%0.23125%0.245CC..Hα-helixtrans-62.3-42.9177.400000112E299 R307E299-A303 PolarHBondContact O-N 3.09Å; A303-R307 WeakPolarHBondContact O-CB 3.46Å; A303-R307 PolarHBondContact O-N 3.43Å
304D86.2Confident88.7Confident62 Ų6246.2 Ų46.233%0.33223%0.225SC..Hα-helixtrans-65.6-41.2175-17972.7000112.2R300 I301 A302 R307 R308R300-D304 PolarHBondContact O-N 3.2Å; I301-D304 PolarHBondContact O-N 3.03Å; A302-D304 PolarHBondContact O-N 3.3Å; D304-R307 PolarHBondContact O-N 2.94Å; D304-R308 WeakPolarHBondContact O-CG 3.26Å; D304-R308 PolarHBondContact O-N 3.2Å; D304-R308 PolarHBondContact O-NE 3.2Å; D304-R308 IonicContact OD1-NE 2.76Å; D304-R308 IonicContact OD2-CZ 3.93Å; D304-R308 VanDerWaalsContact OD2-CZ 3.24Å; D304-R308 IonicContact OD2-NE 3.2Å; D304-R308 PolarHBondContact OD2-NE 2.92Å; D304-R308 IonicContact OD2-NH2 3.77Å; D304-R308 PolarHBondContact OD2-NH2 3.17Å
305W85.5Confident88.3Confident12 Ų1246 Ų465%0.04523%0.225CC..Hα-helixtrans-60.1-49.7176.3-179.2-90000112I192 A246 I301 A302 R307 R308 T309 T311 Y313I192-W305 VanDerWaalsContact C-CH2 3.48Å; I192-W305 HydrophobicContact CB-CH2 3.62Å; I192-W305 HydrophobicContact CB-CZ3 3.99Å; I192-W305 HydrophobicContact CG2-CE3 4.28Å; I192-W305 HydrophobicContact CG2-CH2 3.24Å; I192-W305 HydrophobicContact CG2-CZ2 4.36Å; I192-W305 HydrophobicContact CG2-CZ3 3.18Å; I192-W305 WeakPolarHBondContact O-CH2 3.43Å; I192-W305 WeakPolarHBondContact O-CZ2 3.31Å; A246-W305 HydrophobicContact CB-CH2 3.62Å; A246-W305 HydrophobicContact CB-CZ3 3.64Å; I301-W305 VanDerWaalsContact O-CB 3.26Å; I301-W305 WeakPolarHBondContact O-CB 3.43Å; I301-W305 PolarHBondContact O-N 2.86Å; A302-W305 WeakPolarHBondContact O-CB 3.12Å; A302-W305 PolarHBondContact O-N 2.89Å; W305-R307 VanDerWaalsContact C-N 3.34Å; W305-R308 PolarHBondContact O-N 3.04Å; W305-T309 HydrophobicContact CD2-CG2 4.25Å; W305-T309 HydrophobicContact CH2-CG2 4.19Å; W305-T309 HydrophobicContact CZ2-CG2 3.84Å; W305-T309 PolarHBondContact NE1-OG1 2.87Å; W305-T309 VanDerWaalsContact NE1-OG1 3.13Å; W305-T309 PolarHBondContact O-N 3.29Å; W305-T309 PolarHBondContact O-OG1 3.4Å; W305-T311 VanDerWaalsContact CD1-O 3.3Å; W305-T311 PolarHBondContact NE1-OG1 2.89Å; W305-Y313 HydrophobicContact CB-CD2 3.94Å; W305-Y313 HydrophobicContact CB-CG 4.31Å; W305-Y313 HydrophobicContact CD2-CD2 4.19Å; W305-Y313 AromaticContact CG-CD2 3.84Å; W305-Y313 HydrophobicContact CG-CD2 3.84Å; W305-Y313 HydrophobicContact CG-CG 4.35Å
306F85.4Confident88Confident18 Ų1847 Ų478%0.07923%0.23CC..Hα-helixtrans-63.8-42.2179.1-175.4-88.7000110.9F261 E262 A302 R308 T309 K310F261-F306 HydrophobicContact CB-CZ 4.23Å; F261-F306 AromaticContact CD1-CE2 3.46Å; F261-F306 HydrophobicContact CD1-CE2 3.46Å; F261-F306 VanDerWaalsContact CD1-CE2 3.46Å; F261-F306 AromaticContact CD1-CZ 3.51Å; F261-F306 HydrophobicContact CD1-CZ 3.51Å; F261-F306 AromaticContact CE1-CE2 3.88Å; F261-F306 HydrophobicContact CE1-CE2 3.88Å; F261-F306 HydrophobicContact CE1-CZ 4.32Å; F261-F306 HydrophobicContact CG-CZ 4.25Å; E262-F306 HydrophobicContact CB-CD1 4.45Å; E262-F306 HydrophobicContact CG-CD1 3.19Å; E262-F306 HydrophobicContact CG-CE1 3.4Å; E262-F306 VanDerWaalsContact CG-CE1 3.4Å; E262-F306 HydrophobicContact CG-CG 4.08Å; E262-F306 HydrophobicContact CG-CZ 4.44Å; A302-F306 WeakPolarHBondContact O-CB 2.97Å; A302-F306 PolarHBondContact O-N 2.92Å; F306-R308 PolarHBondContact O-N 3.24Å; F306-T309 PolarHBondContact O-N 3.43Å; F306-K310 HydrophobicContact CE1-CD 4.29Å; F306-K310 WeakPolarHBondContact O-CA 3.39Å; F306-K310 PolarHBondContact O-N 2.97Å
307R86.1Confident87.9Confident145 Ų14545.6 Ų45.655%0.54722%0.218SC..Hα-helixtrans-53.6-42.8176-173.4-179.2-60.1148.73.5111.8A303 D304 W305 K310A303-R307 WeakPolarHBondContact O-CB 3.46Å; A303-R307 PolarHBondContact O-N 3.43Å; D304-R307 PolarHBondContact O-N 2.94Å; W305-R307 VanDerWaalsContact C-N 3.34Å; R307-K310 WeakPolarHBondContact O-CE 3.48Å; R307-K310 PolarHBondContact O-NZ 3.41Å
308R85.9Confident87.9Confident29 Ų2948.4 Ų48.411%0.10922%0.223CC..Hα-helixtrans-80.8-39.7-176.2-69.5-172.7-75.8117.6-2.8114.4L248 A249 D304 W305 F306L248-R308 HydrophobicContact CD1-CG 4.11Å; A249-R308 VanDerWaalsContact CB-O 3.26Å; A249-R308 WeakPolarHBondContact CB-O 3.38Å; A249-R308 PolarHBondContact N-O 2.74Å; D304-R308 WeakPolarHBondContact O-CG 3.26Å; D304-R308 PolarHBondContact O-N 3.2Å; D304-R308 PolarHBondContact O-NE 3.2Å; D304-R308 IonicContact OD1-NE 2.76Å; D304-R308 IonicContact OD2-CZ 3.93Å; D304-R308 VanDerWaalsContact OD2-CZ 3.24Å; D304-R308 IonicContact OD2-NE 3.2Å; D304-R308 PolarHBondContact OD2-NE 2.92Å; D304-R308 IonicContact OD2-NH2 3.77Å; D304-R308 PolarHBondContact OD2-NH2 3.17Å; W305-R308 PolarHBondContact O-N 3.04Å; F306-R308 PolarHBondContact O-N 3.24Å
309T85.3Confident88Confident28 Ų2848.8 Ų48.817%0.17223%0.225CC..Hα-helixtrans-110.4-17.4-169.565.10000113.7A246 W305 F306 T311A246-T309 HydrophobicContact CB-CG2 4.23Å; W305-T309 HydrophobicContact CD2-CG2 4.25Å; W305-T309 HydrophobicContact CH2-CG2 4.19Å; W305-T309 HydrophobicContact CZ2-CG2 3.84Å; W305-T309 PolarHBondContact NE1-OG1 2.87Å; W305-T309 VanDerWaalsContact NE1-OG1 3.13Å; W305-T309 PolarHBondContact O-N 3.29Å; W305-T309 PolarHBondContact O-OG1 3.4Å; F306-T309 PolarHBondContact O-N 3.43Å; T309-T311 WeakPolarHBondContact CB-OG1 3.48Å; T309-T311 PolarHBondContact O-N 3.45Å; T309-T311 PolarHBondContact OG1-N 3.48Å; T309-T311 PolarHBondContact OG1-OG1 2.99Å
310K82.9Confident88.2Confident100 Ų10047.5 Ų47.544%0.43522%0.219SC..SBendtrans55.231.5-171.1-49.6-63.3176.1-172.50112.8F306 R307F306-K310 HydrophobicContact CE1-CD 4.29Å; F306-K310 WeakPolarHBondContact O-CA 3.39Å; F306-K310 PolarHBondContact O-N 2.97Å; R307-K310 WeakPolarHBondContact O-CE 3.48Å; R307-K310 PolarHBondContact O-NZ 3.41Å
311T80.2Confident88.5Confident26 Ų2638.3 Ų38.316%0.1618%0.184CC..SBendtrans-128.5158.7178.664.40000111.8W305 T309W305-T311 VanDerWaalsContact CD1-O 3.3Å; W305-T311 PolarHBondContact NE1-OG1 2.89Å; T309-T311 WeakPolarHBondContact CB-OG1 3.48Å; T309-T311 PolarHBondContact O-N 3.45Å; T309-T311 PolarHBondContact OG1-N 3.48Å; T309-T311 PolarHBondContact OG1-OG1 2.99Å
312N80.4Confident88.9Confident58 Ų5840 Ų4031%0.3119%0.19SC..  trans-68.2132.4-178.7-64.431.7000110.7D265D265-N312 PolarHBondContact OD1-ND2 2.95Å; D265-N312 PolarHBondContact OD2-OD1 2.76Å; D265-N312 VanDerWaalsContact OD2-OD1 3.08Å
313Y83.8Confident89.3Confident21 Ų2142 Ų428%0.08220%0.197CC..  trans-81.8131.7179.6169.7-104.8000111.8L269 F298 I301 A302 W305 P315 E316 I319L269-Y313 HydrophobicContact CD2-CD1 3.94Å; L269-Y313 HydrophobicContact CD2-CE1 4.32Å; F298-Y313 HydrophobicContact CD1-CE1 4.16Å; I301-Y313 HydrophobicContact CG2-CD2 4.29Å; I301-Y313 HydrophobicContact CG2-CE1 4.33Å; I301-Y313 HydrophobicContact CG2-CE2 3.54Å; A302-Y313 HydrophobicContact CB-CD1 3.46Å; A302-Y313 VanDerWaalsContact CB-CD1 3.46Å; A302-Y313 HydrophobicContact CB-CE1 4.26Å; A302-Y313 HydrophobicContact CB-CG 3.82Å; W305-Y313 HydrophobicContact CB-CD2 3.94Å; W305-Y313 HydrophobicContact CB-CG 4.31Å; W305-Y313 HydrophobicContact CD2-CD2 4.19Å; W305-Y313 AromaticContact CG-CD2 3.84Å; W305-Y313 HydrophobicContact CG-CD2 3.84Å; W305-Y313 HydrophobicContact CG-CG 4.35Å; Y313-P315 HydrophobicContact CE1-CB 4.44Å; Y313-P315 HydrophobicContact CE1-CG 4.11Å; Y313-E316 WeakPolarHBondContact CE2-OE1 3.4Å; Y313-E316 WeakPolarHBondContact CE2-OE2 3.49Å; Y313-E316 PolarHBondContact OH-OE2 2.73Å; Y313-I319 VanDerWaalsContact OH-CD1 3.24Å; Y313-I319 WeakPolarHBondContact OH-CD1 3.03Å
314T86Confident89.8Confident58 Ų5840.6 Ų40.636%0.35619%0.185SC..  trans-105.2121.4173-64.40000110.3E316T314-E316 PolarHBondContact O-N 3.26Å
315P89.7Confident90.4Very high12 Ų1239.3 Ų39.38%0.07818%0.177CC..  trans-56.9124.5-177.4-32.741.1000114.2L140 L269 M272 F298 Y313L140-P315 HydrophobicContact CD1-CB 4.38Å; L140-P315 HydrophobicContact CD2-CB 4.2Å; L269-P315 HydrophobicContact CD1-CG 3.2Å; M272-P315 HydrophobicContact CE-CG 3.74Å; F298-P315 HydrophobicContact CD1-CB 3.94Å; F298-P315 HydrophobicContact CD1-CG 4.45Å; F298-P315 HydrophobicContact CE1-CB 3.83Å; Y313-P315 HydrophobicContact CE1-CB 4.44Å; Y313-P315 HydrophobicContact CE1-CG 4.11Å
316E90Very high91Very high22 Ų2246.9 Ų46.910%0.10321%0.206CC..  trans-83.2127.6177.3-53.991.9156.100112.2Y313 T314 W318 I319Y313-E316 WeakPolarHBondContact CE2-OE1 3.4Å; Y313-E316 WeakPolarHBondContact CE2-OE2 3.49Å; Y313-E316 PolarHBondContact OH-OE2 2.73Å; T314-E316 PolarHBondContact O-N 3.26Å; E316-W318 HydrophobicContact CB-CD2 4.35Å; E316-W318 HydrophobicContact CB-CG 4.22Å; E316-W318 HydrophobicContact CB-CZ2 4.35Å; E316-W318 HydrophobicContact CG-CZ2 4.41Å; E316-W318 PolarHBondContact O-N 3.02Å; E316-W318 VanDerWaalsContact O-N 3.08Å; E316-I319 HydrophobicContact CB-CD1 4.25Å; E316-I319 HydrophobicContact CB-CG1 4.42Å; E316-I319 PolarHBondContact O-N 3.45Å; E316-I319 WeakPolarHBondContact OE2-CD1 3.36Å
317Y94.3Very high91.7Very high12 Ų1247.8 Ų47.85%0.04721%0.211CC..THydrogen-bonded Turntrans-57.7-23.6177.773.3-83.7000114.2A137 M141 I319 P320 I321 M357 Q361A137-Y317 WeakPolarHBondContact CA-O 3.06Å; A137-Y317 WeakPolarHBondContact CB-O 3.37Å; A137-Y317 VanDerWaalsContact O-CB 3.31Å; A137-Y317 WeakPolarHBondContact O-CB 3.28Å; M141-Y317 HydrophobicContact CB-CD2 4.42Å; M141-Y317 HydrophobicContact CB-CG 4.07Å; M141-Y317 HydrophobicContact CE-CD1 3.36Å; M141-Y317 HydrophobicContact CE-CD2 3.72Å; M141-Y317 HydrophobicContact CE-CE1 3.14Å; M141-Y317 HydrophobicContact CE-CE2 3.5Å; M141-Y317 HydrophobicContact CE-CG 3.64Å; M141-Y317 HydrophobicContact SD-CD1 4.35Å; M141-Y317 HydrophobicContact SD-CE1 4.5Å; Y317-I319 VanDerWaalsContact C-N 3.33Å; Y317-P320 WeakPolarHBondContact O-CD 3.48Å; Y317-I321 HydrophobicContact CD2-CD1 4.03Å; Y317-I321 HydrophobicContact CE2-CD1 4.25Å; Y317-M357 HydrophobicContact CD2-CB 4.24Å; Y317-M357 HydrophobicContact CD2-CE 4.48Å; Y317-M357 HydrophobicContact CD2-SD 3.77Å; Y317-M357 HydrophobicContact CE2-CB 3.77Å; Y317-M357 HydrophobicContact CE2-SD 4.25Å; Y317-Q361 PolarHBondContact OH-OE1 2.84Å
318W95.6Very high92.2Very high100 Ų10040.9 Ų40.938%0.37919%0.185SC..Hα-helixtrans-80.2-14.7-176.761.3-101.8000113E316 I321 Q322E316-W318 HydrophobicContact CB-CD2 4.35Å; E316-W318 HydrophobicContact CB-CG 4.22Å; E316-W318 HydrophobicContact CB-CZ2 4.35Å; E316-W318 HydrophobicContact CG-CZ2 4.41Å; E316-W318 PolarHBondContact O-N 3.02Å; E316-W318 VanDerWaalsContact O-N 3.08Å; W318-I321 WeakPolarHBondContact O-CB 3.4Å; W318-I321 PolarHBondContact O-N 3.37Å; W318-Q322 HydrophobicContact CE3-CG 3.89Å; W318-Q322 HydrophobicContact CZ3-CG 4.17Å; W318-Q322 PolarHBondContact O-N 2.82Å; W318-Q322 VanDerWaalsContact O-N 3.09Å
319I97.1Very high92.8Very high8 Ų843.7 Ų43.74%0.04120%0.202CC..Hα-helixtrans-62.3-51.3178.7-71.5167.8000111.5F298 I301 Y313 E316 Y317 I321 Q322 W323F298-I319 HydrophobicContact CD1-CD1 4.17Å; F298-I319 HydrophobicContact CE1-CB 4.04Å; F298-I319 HydrophobicContact CE1-CD1 3.77Å; F298-I319 HydrophobicContact CE1-CG2 4.05Å; F298-I319 HydrophobicContact CZ-CB 4.18Å; F298-I319 HydrophobicContact CZ-CG2 4.01Å; I301-I319 HydrophobicContact CD1-CD1 3.59Å; I301-I319 HydrophobicContact CD1-CG1 4.48Å; Y313-I319 VanDerWaalsContact OH-CD1 3.24Å; Y313-I319 WeakPolarHBondContact OH-CD1 3.03Å; E316-I319 HydrophobicContact CB-CD1 4.25Å; E316-I319 HydrophobicContact CB-CG1 4.42Å; E316-I319 PolarHBondContact O-N 3.45Å; E316-I319 WeakPolarHBondContact OE2-CD1 3.36Å; Y317-I319 VanDerWaalsContact C-N 3.33Å; I319-I321 PolarHBondContact O-N 3.24Å; I319-Q322 WeakPolarHBondContact O-CB 3.14Å; I319-Q322 PolarHBondContact O-N 2.75Å; I319-Q322 VanDerWaalsContact O-N 3.1Å; I319-W323 HydrophobicContact CG2-CD2 4.31Å; I319-W323 VanDerWaalsContact CG2-CE2 3.48Å; I319-W323 HydrophobicContact CG2-CH2 4.09Å; I319-W323 HydrophobicContact CG2-CZ2 3.36Å; I319-W323 PolarHBondContact O-N 3.07Å; I319-W323 VanDerWaalsContact O-N 3.14Å
320P98.5Very high93.5Very high0 Ų048.4 Ų48.40%022%0.22CC..Hα-helixtrans-60.7-31.1174.6-24.934.2000113.6Y133 L136 A137 L140 F298 Y317 Q322 W323 A324Y133-P320 WeakPolarHBondContact CB-O 3.3Å; Y133-P320 WeakPolarHBondContact O-CB 3.45Å; L136-P320 HydrophobicContact CB-CB 4.39Å; L136-P320 HydrophobicContact CB-CG 4.37Å; L136-P320 HydrophobicContact CD2-CB 4.1Å; L136-P320 HydrophobicContact CD2-CG 3.66Å; L136-P320 HydrophobicContact CG-CB 4.34Å; L136-P320 HydrophobicContact CG-CG 3.83Å; A137-P320 HydrophobicContact CB-CB 4.3Å; L140-P320 HydrophobicContact CD1-CG 4.22Å; F298-P320 HydrophobicContact CZ-CG 4.02Å; Y317-P320 WeakPolarHBondContact O-CD 3.48Å; P320-Q322 VanDerWaalsContact C-N 3.32Å; P320-Q322 PolarHBondContact O-N 3.41Å; P320-W323 HydrophobicContact CB-CE3 4.16Å; P320-W323 HydrophobicContact CG-CE3 4.41Å; P320-W323 HydrophobicContact CG-CZ3 4.33Å; P320-W323 WeakPolarHBondContact O-CB 3.27Å; P320-W323 PolarHBondContact O-N 3.29Å; P320-W323 VanDerWaalsContact O-N 3.16Å; P320-A324 PolarHBondContact O-N 3.27Å
321I98.4Very high94.2Very high1 Ų143.7 Ų43.71%0.00520%0.2CC..Hα-helixtrans-63.2-41.5175.6-55.9178.6000110.3M134 A137 Y317 W318 I319 W323 A324 Q325 I350 R354 M357M134-I321 HydrophobicContact SD-CG1 4.46Å; A137-I321 HydrophobicContact CB-CD1 4.01Å; A137-I321 HydrophobicContact CB-CG1 3.53Å; Y317-I321 HydrophobicContact CD2-CD1 4.03Å; Y317-I321 HydrophobicContact CE2-CD1 4.25Å; W318-I321 WeakPolarHBondContact O-CB 3.4Å; W318-I321 PolarHBondContact O-N 3.37Å; I319-I321 PolarHBondContact O-N 3.24Å; I321-W323 VanDerWaalsContact C-N 3.31Å; I321-W323 PolarHBondContact O-N 3.34Å; I321-A324 WeakPolarHBondContact O-CB 3.49Å; I321-A324 PolarHBondContact O-N 2.89Å; I321-Q325 WeakPolarHBondContact O-CG 3.44Å; I321-Q325 PolarHBondContact O-N 2.92Å; I321-I350 HydrophobicContact CG2-CG2 3.48Å; I321-I350 VanDerWaalsContact CG2-CG2 3.48Å; I321-R354 HydrophobicContact CD1-CB 3.9Å; I321-R354 HydrophobicContact CD1-CG 3.86Å; I321-R354 HydrophobicContact CG2-CB 4.14Å; I321-R354 HydrophobicContact CG2-CG 4.41Å; I321-M357 HydrophobicContact CD1-CE 3.48Å; I321-M357 VanDerWaalsContact CD1-CE 3.48Å; I321-M357 HydrophobicContact CG1-CE 4.33Å
322Q97.8Very high95Very high92 Ų9244.7 Ų44.743%0.4320%0.204SC..Hα-helixtrans-63.2-38.3173.8-69.6-67.5-39.200111.7W318 I319 P320 A324 Q325 R326W318-Q322 HydrophobicContact CE3-CG 3.89Å; W318-Q322 HydrophobicContact CZ3-CG 4.17Å; W318-Q322 PolarHBondContact O-N 2.82Å; W318-Q322 VanDerWaalsContact O-N 3.09Å; I319-Q322 WeakPolarHBondContact O-CB 3.14Å; I319-Q322 PolarHBondContact O-N 2.75Å; I319-Q322 VanDerWaalsContact O-N 3.1Å; P320-Q322 VanDerWaalsContact C-N 3.32Å; P320-Q322 PolarHBondContact O-N 3.41Å; Q322-A324 VanDerWaalsContact C-N 3.34Å; Q322-Q325 PolarHBondContact O-N 3.35Å; Q322-R326 WeakPolarHBondContact O-CB 3.45Å; Q322-R326 PolarHBondContact O-N 3.39Å
323W98.7Very high95.8Very high49 Ų4949.6 Ų49.619%0.18623%0.225CC..Hα-helixtrans-63.5-40.9174.4-56.9-16.9000111.8Y133 L136 E294 F298 I319 P320 I321 R326 I327Y133-W323 HydrophobicContact CD1-CE3 4.18Å; Y133-W323 HydrophobicContact CD2-CB 3.49Å; Y133-W323 VanDerWaalsContact CD2-CB 3.49Å; Y133-W323 HydrophobicContact CD2-CE3 4.49Å; Y133-W323 HydrophobicContact CE1-CE3 4.02Å; Y133-W323 HydrophobicContact CE2-CB 3.41Å; Y133-W323 VanDerWaalsContact CE2-CB 3.41Å; Y133-W323 HydrophobicContact CE2-CE3 4.3Å; Y133-W323 HydrophobicContact CE2-CG 4.39Å; Y133-W323 HydrophobicContact CG-CB 4.34Å; Y133-W323 HydrophobicContact CG-CE3 4.42Å; L136-W323 HydrophobicContact CD2-CZ3 4.39Å; E294-W323 HydrophobicContact CB-CH2 3.98Å; E294-W323 HydrophobicContact CB-CZ3 3.79Å; E294-W323 HydrophobicContact CG-CE3 4.41Å; E294-W323 HydrophobicContact CG-CH2 4.44Å; E294-W323 HydrophobicContact CG-CZ3 3.92Å; F298-W323 AromaticContact CD2-CH2 3.85Å; F298-W323 HydrophobicContact CD2-CH2 3.85Å; F298-W323 AromaticContact CE2-CH2 3.43Å; F298-W323 HydrophobicContact CE2-CH2 3.43Å; F298-W323 VanDerWaalsContact CE2-CH2 3.43Å; F298-W323 HydrophobicContact CE2-CZ2 4.28Å; F298-W323 HydrophobicContact CE2-CZ3 4.01Å; F298-W323 HydrophobicContact CZ-CH2 4.13Å; I319-W323 HydrophobicContact CG2-CD2 4.31Å; I319-W323 VanDerWaalsContact CG2-CE2 3.48Å; I319-W323 HydrophobicContact CG2-CH2 4.09Å; I319-W323 HydrophobicContact CG2-CZ2 3.36Å; I319-W323 PolarHBondContact O-N 3.07Å; I319-W323 VanDerWaalsContact O-N 3.14Å; P320-W323 HydrophobicContact CB-CE3 4.16Å; P320-W323 HydrophobicContact CG-CE3 4.41Å; P320-W323 HydrophobicContact CG-CZ3 4.33Å; P320-W323 WeakPolarHBondContact O-CB 3.27Å; P320-W323 PolarHBondContact O-N 3.29Å; P320-W323 VanDerWaalsContact O-N 3.16Å; I321-W323 VanDerWaalsContact C-N 3.31Å; I321-W323 PolarHBondContact O-N 3.34Å; W323-R326 PolarHBondContact O-N 2.96Å; W323-I327 WeakPolarHBondContact O-CG1 3.48Å; W323-I327 PolarHBondContact O-N 3.24Å
324A98.7Very high96.3Very high0 Ų051.3 Ų51.30%024%0.24CC..Hα-helixtrans-61.2-45.1175.200000112.2I130 Y133 M134 P320 I321 Q322 R326 I327 T328 I350I130-A324 HydrophobicContact CG2-CB 3.95Å; Y133-A324 HydrophobicContact CD2-CB 4.4Å; M134-A324 HydrophobicContact SD-CB 4.05Å; P320-A324 PolarHBondContact O-N 3.27Å; I321-A324 WeakPolarHBondContact O-CB 3.49Å; I321-A324 PolarHBondContact O-N 2.89Å; Q322-A324 VanDerWaalsContact C-N 3.34Å; A324-R326 PolarHBondContact O-N 3.25Å; A324-I327 PolarHBondContact O-N 2.95Å; A324-T328 PolarHBondContact O-N 3.27Å; A324-T328 PolarHBondContact O-OG1 3.27Å; A324-I350 HydrophobicContact CB-CD1 4.31Å
325Q98.3Very high96.7Very high34 Ų3449.8 Ų49.816%0.15924%0.236CC..Hα-helixtrans-60.6-45.2174.4-68.9179-34.900111.3I321 Q322 I327 T328 L329 V347 I350I321-Q325 WeakPolarHBondContact O-CG 3.44Å; I321-Q325 PolarHBondContact O-N 2.92Å; Q322-Q325 PolarHBondContact O-N 3.35Å; Q325-I327 PolarHBondContact O-N 2.9Å; Q325-T328 WeakPolarHBondContact O-CB 3.43Å; Q325-T328 PolarHBondContact O-N 3.45Å; Q325-L329 WeakPolarHBondContact O-CG 3.27Å; Q325-L329 PolarHBondContact O-N 2.8Å; Q325-V347 HydrophobicContact CG-CG1 4.21Å; Q325-I350 HydrophobicContact CG-CB 4.36Å; Q325-I350 HydrophobicContact CG-CD1 4.48Å; Q325-I350 HydrophobicContact CG-CG2 3.73Å
326R98.5Very high97Very high172 Ų17251.3 Ų51.365%0.64924%0.241SC*.Hα-helixtrans-63.2-39.9177.7-178.8172.5-83.8179.4-5112.6Q322 W323 A324 T328 L329 K330Q322-R326 WeakPolarHBondContact O-CB 3.45Å; Q322-R326 PolarHBondContact O-N 3.39Å; W323-R326 PolarHBondContact O-N 2.96Å; A324-R326 PolarHBondContact O-N 3.25Å; R326-T328 VanDerWaalsContact C-N 3.35Å; R326-L329 PolarHBondContact O-N 3.18Å; R326-K330 WeakPolarHBondContact O-CG 3.34Å; R326-K330 PolarHBondContact O-N 3.5Å
327I98.6Very high97.2Very high36 Ų3650.4 Ų50.419%0.18524%0.237CC..Hα-helixtrans-62.9-43.6173.9-72.7-176.5000110.6I126 T129 I130 Y133 W323 A324 Q325 L329 K330 A331I126-I327 HydrophobicContact CG2-CG2 3.7Å; T129-I327 HydrophobicContact CG2-CD1 3.36Å; I130-I327 HydrophobicContact CD1-CG2 3.94Å; I130-I327 HydrophobicContact CG1-CB 4.15Å; I130-I327 HydrophobicContact CG1-CG2 3.67Å; Y133-I327 HydrophobicContact CD2-CD1 4.03Å; Y133-I327 HydrophobicContact CE2-CD1 3.34Å; Y133-I327 HydrophobicContact CE2-CG1 4.27Å; W323-I327 WeakPolarHBondContact O-CG1 3.48Å; W323-I327 PolarHBondContact O-N 3.24Å; A324-I327 PolarHBondContact O-N 2.95Å; Q325-I327 PolarHBondContact O-N 2.9Å; I327-L329 VanDerWaalsContact C-N 3.33Å; I327-L329 PolarHBondContact O-N 2.98Å; I327-K330 CarbonylContact O-C 3.59Å; I327-K330 PolarHBondContact O-N 3.35Å; I327-A331 WeakPolarHBondContact O-CB 3.26Å; I327-A331 PolarHBondContact O-N 2.92Å
328T98.5Very high97Very high0 Ų055 Ų550%026%0.262CS..Hα-helixtrans-57.9-46.1178.1-55.10000111.3A324 Q325 R326 K330 A331 L332 I337 T346 V347A324-T328 PolarHBondContact O-N 3.27Å; A324-T328 PolarHBondContact O-OG1 3.27Å; Q325-T328 WeakPolarHBondContact O-CB 3.43Å; Q325-T328 PolarHBondContact O-N 3.45Å; R326-T328 VanDerWaalsContact C-N 3.35Å; T328-K330 PolarHBondContact O-N 2.91Å; T328-A331 WeakPolarHBondContact O-CB 3.16Å; T328-A331 PolarHBondContact O-N 2.69Å; T328-L332 PolarHBondContact O-N 2.92Å; T328-L332 VanDerWaalsContact O-N 3.15Å; T328-I337 HydrophobicContact CG2-CD1 3.99Å; T328-T346 HydrophobicContact CG2-CG2 3.66Å; T328-V347 HydrophobicContact CG2-CG2 3.91Å
329L98.3Very high96.9Very high89 Ų8953.6 Ų53.647%0.46626%0.262SS..Hα-helixtrans-66.1-37.3177.4-64.8174000112.6Q325 R326 I327 A331 L332 Q333 V347Q325-L329 WeakPolarHBondContact O-CG 3.27Å; Q325-L329 PolarHBondContact O-N 2.8Å; R326-L329 PolarHBondContact O-N 3.18Å; I327-L329 VanDerWaalsContact C-N 3.33Å; I327-L329 PolarHBondContact O-N 2.98Å; L329-A331 VanDerWaalsContact C-N 3.35Å; L329-L332 WeakPolarHBondContact O-CB 3.34Å; L329-L332 PolarHBondContact O-N 3.46Å; L329-Q333 WeakPolarHBondContact O-CG 3.47Å; L329-Q333 PolarHBondContact O-N 2.77Å; L329-V347 HydrophobicContact CD2-CG2 4.26Å; L329-V347 HydrophobicContact CG-CG2 4.46Å
330K98.3Very high96.8Very high126 Ų12657.1 Ų57.155%0.54829%0.285SS..Hα-helixtrans-68.7-33.2173.6-76.5-170172.3-163.50112.8R326 I327 T328 L332 Q333 S334R326-K330 WeakPolarHBondContact O-CG 3.34Å; R326-K330 PolarHBondContact O-N 3.5Å; I327-K330 CarbonylContact O-C 3.59Å; I327-K330 PolarHBondContact O-N 3.35Å; T328-K330 PolarHBondContact O-N 2.91Å; K330-L332 VanDerWaalsContact C-N 3.34Å; K330-Q333 PolarHBondContact O-N 2.73Å; K330-S334 VanDerWaalsContact O-CB 3.27Å; K330-S334 WeakPolarHBondContact O-CB 3.5Å; K330-S334 PolarHBondContact O-N 3.02Å; K330-S334 PolarHBondContact O-OG 3.35Å
331A98Very high96.7Very high2 Ų264 Ų642%0.01732%0.315CS..Hα-helixtrans-63.1-43.117600000110.6I126 I327 T328 L329 S334 G335 Y336 I337I126-A331 HydrophobicContact CD1-CB 4.11Å; I126-A331 HydrophobicContact CG2-CB 4.06Å; I327-A331 WeakPolarHBondContact O-CB 3.26Å; I327-A331 PolarHBondContact O-N 2.92Å; T328-A331 WeakPolarHBondContact O-CB 3.16Å; T328-A331 PolarHBondContact O-N 2.69Å; L329-A331 VanDerWaalsContact C-N 3.35Å; A331-S334 PolarHBondContact O-N 3.35Å; A331-G335 PolarHBondContact O-N 3.31Å; A331-Y336 PolarHBondContact O-N 2.78Å; A331-I337 HydrophobicContact CB-CD1 4.06Å; A331-I337 HydrophobicContact CB-CG1 4.1Å
332L97.1Very high96.6Very high47 Ų4766.2 Ų66.225%0.24633%0.329CS..Hα-helixtrans-56.4-54170.3175.166.5000111.7T328 L329 K330 S334 G335 I337 P340 A343T328-L332 PolarHBondContact O-N 2.92Å; T328-L332 VanDerWaalsContact O-N 3.15Å; L329-L332 WeakPolarHBondContact O-CB 3.34Å; L329-L332 PolarHBondContact O-N 3.46Å; K330-L332 VanDerWaalsContact C-N 3.34Å; L332-S334 PolarHBondContact O-N 3.14Å; L332-G335 PolarHBondContact O-N 3.07Å; L332-G335 VanDerWaalsContact O-N 3.1Å; L332-I337 HydrophobicContact CB-CB 4.35Å; L332-I337 HydrophobicContact CD1-CB 4.31Å; L332-I337 HydrophobicContact CD1-CG2 4.41Å; L332-I337 WeakPolarHBondContact CD1-O 3.44Å; L332-P340 HydrophobicContact CD1-CB 4.5Å; L332-P340 HydrophobicContact CD1-CG 4.24Å; L332-P340 HydrophobicContact CD2-CB 4.34Å; L332-A343 HydrophobicContact CB-CB 4.05Å; L332-A343 HydrophobicContact CD1-CB 4.26Å; L332-A343 HydrophobicContact CD2-CB 3.83Å; L332-A343 HydrophobicContact CG-CB 4.26Å
333Q96.6Very high96.6Very high160 Ų16062 Ų6275%0.74831%0.309SS*.Hα-helixtrans-60.3-30-179.7-69.8174.5-15.800113.4L329 K330 G335L329-Q333 WeakPolarHBondContact O-CG 3.47Å; L329-Q333 PolarHBondContact O-N 2.77Å; K330-Q333 PolarHBondContact O-N 2.73Å; Q333-G335 VanDerWaalsContact C-N 3.34Å
334S96.2Very high96.5Very high57 Ų5766 Ų6640%0.39933%0.328SS..THydrogen-bonded Turntrans-88.6-2.3-177.8-56.80000113.6K118 K330 A331 L332K118-S334 VanDerWaalsContact CD-O 3.29Å; K118-S334 WeakPolarHBondContact CD-O 3.48Å; K118-S334 PolarHBondContact NZ-O 3.48Å; K118-S334 VanDerWaalsContact NZ-O 3.12Å; K330-S334 VanDerWaalsContact O-CB 3.27Å; K330-S334 WeakPolarHBondContact O-CB 3.5Å; K330-S334 PolarHBondContact O-N 3.02Å; K330-S334 PolarHBondContact O-OG 3.35Å; A331-S334 PolarHBondContact O-N 3.35Å; L332-S334 PolarHBondContact O-N 3.14Å
335G94.1Very high96.5Very high27 Ų2772.2 Ų72.228%0.27835%0.353SS..THydrogen-bonded Turntrans82.413.3-179.300000115.3K118 A331 L332 Q333 I337K118-G335 VanDerWaalsContact CB-O 3.26Å; K118-G335 WeakPolarHBondContact CB-O 3.39Å; K118-G335 PolarHBondContact N-O 2.88Å; A331-G335 PolarHBondContact O-N 3.31Å; L332-G335 PolarHBondContact O-N 3.07Å; L332-G335 VanDerWaalsContact O-N 3.1Å; Q333-G335 VanDerWaalsContact C-N 3.34Å; G335-I337 VanDerWaalsContact C-N 3.3Å
336Y94.9Very high96.4Very high44 Ų4470.6 Ų70.617%0.17335%0.345CS..SBendtrans-80.6-14.5174.4-69.9-78.9000113.1N116 A117 K118 I126 A331N116-Y336 PolarHBondContact N-O 3.24Å; A117-Y336 PolarHBondContact N-O 3.15Å; K118-Y336 HydrophobicContact CB-CD1 3.8Å; K118-Y336 HydrophobicContact CB-CE1 3.98Å; K118-Y336 HydrophobicContact CB-CG 4.28Å; K118-Y336 HydrophobicContact CD-CD1 4.47Å; K118-Y336 HydrophobicContact CD-CD2 4.44Å; K118-Y336 HydrophobicContact CD-CE1 4.12Å; K118-Y336 HydrophobicContact CD-CE2 4.12Å; K118-Y336 HydrophobicContact CG-CD1 4.49Å; K118-Y336 HydrophobicContact CG-CE1 4.19Å; I126-Y336 HydrophobicContact CD1-CD1 3.92Å; I126-Y336 HydrophobicContact CD1-CD2 3.28Å; I126-Y336 HydrophobicContact CD1-CE1 4.29Å; I126-Y336 HydrophobicContact CD1-CE2 3.7Å; I126-Y336 HydrophobicContact CD1-CG 3.4Å; A331-Y336 PolarHBondContact O-N 2.78Å
337I94.9Very high96.4Very high3 Ų364 Ų642%0.01532%0.324CS..SBendtrans-124.2123.7168.6-51.5177.4000106.1I115 T328 A331 L332 G335 V342 A343I115-I337 HydrophobicContact CG1-CD1 4.12Å; I115-I337 HydrophobicContact CG1-CG1 4.08Å; T328-I337 HydrophobicContact CG2-CD1 3.99Å; A331-I337 HydrophobicContact CB-CD1 4.06Å; A331-I337 HydrophobicContact CB-CG1 4.1Å; L332-I337 HydrophobicContact CB-CB 4.35Å; L332-I337 HydrophobicContact CD1-CB 4.31Å; L332-I337 HydrophobicContact CD1-CG2 4.41Å; L332-I337 WeakPolarHBondContact CD1-O 3.44Å; G335-I337 VanDerWaalsContact C-N 3.3Å; I337-V342 HydrophobicContact CG2-CB 3.9Å; I337-V342 HydrophobicContact CG2-CG1 3.86Å; I337-A343 HydrophobicContact CD1-CB 4.06Å; I337-A343 HydrophobicContact CG2-CB 4.18Å
338D90.6Very high96.4Very high109 Ų10965.6 Ų65.658%0.58333%0.331SS*.  trans-84.1-36-174.9-73.9-24.3000113.5A117A117-D338 HydrophobicContact CB-CB 4.37Å; A117-D338 WeakPolarHBondContact CB-OD1 3.21Å; A117-D338 WeakPolarHBondContact CB-OD2 3.24Å
339D92.1Very high96.3Very high69 Ų6966.5 Ų66.537%0.36934%0.336SS..  trans-105.6121.2-178.1-172.8-15000110.9K341 V342 A343D339-K341 PolarHBondContact O-N 3.14Å; D339-K341 VanDerWaalsContact O-N 3.1Å; D339-K341 VanDerWaalsContact OD1-CB 3.32Å; D339-K341 WeakPolarHBondContact OD1-CB 3.11Å; D339-K341 WeakPolarHBondContact OD1-CG 3.48Å; D339-K341 PolarHBondContact OD1-N 3.33Å; D339-V342 HydrophobicContact CB-CB 4.4Å; D339-V342 HydrophobicContact CB-CG2 3.96Å; D339-V342 WeakPolarHBondContact O-CB 3.3Å; D339-V342 PolarHBondContact O-N 3.13Å; D339-A343 PolarHBondContact O-N 3.15Å
340P96.2Very high96.3Very high83 Ų8362.3 Ų62.354%0.53931%0.313SS..Hα-helixtrans-51-30.4171.1-27.334.7000114.5L332 A343 F344L332-P340 HydrophobicContact CD1-CB 4.5Å; L332-P340 HydrophobicContact CD1-CG 4.24Å; L332-P340 HydrophobicContact CD2-CB 4.34Å; P340-A343 WeakPolarHBondContact O-CB 3.39Å; P340-A343 PolarHBondContact O-N 3.49Å; P340-F344 PolarHBondContact O-N 2.87Å
341K96.6Very high96.3Very high143 Ų14357.1 Ų57.162%0.62230%0.296SS*.Hα-helixtrans-64.2-41.6175.1-65.1177.2-178.9176.10111.8D339 A343 F344 Y345D339-K341 PolarHBondContact O-N 3.14Å; D339-K341 VanDerWaalsContact O-N 3.1Å; D339-K341 VanDerWaalsContact OD1-CB 3.32Å; D339-K341 WeakPolarHBondContact OD1-CB 3.11Å; D339-K341 WeakPolarHBondContact OD1-CG 3.48Å; D339-K341 PolarHBondContact OD1-N 3.33Å; K341-A343 VanDerWaalsContact C-N 3.3Å; K341-A343 PolarHBondContact O-N 3.47Å; K341-F344 WeakPolarHBondContact O-CB 3.36Å; K341-F344 PolarHBondContact O-N 2.98Å; K341-Y345 HydrophobicContact CB-CE2 4.48Å; K341-Y345 WeakPolarHBondContact O-CD2 3.1Å; K341-Y345 PolarHBondContact O-N 3.31Å
342V95.8Very high96.3Very high49 Ų4962.2 Ų62.230%0.29731%0.314SS..Hα-helixtrans-63.3-40.6176.6174.20000110.2S114 I337 D339 Y345 T346S114-V342 WeakPolarHBondContact OG-CG1 3.41Å; I337-V342 HydrophobicContact CG2-CB 3.9Å; I337-V342 HydrophobicContact CG2-CG1 3.86Å; D339-V342 HydrophobicContact CB-CB 4.4Å; D339-V342 HydrophobicContact CB-CG2 3.96Å; D339-V342 WeakPolarHBondContact O-CB 3.3Å; D339-V342 PolarHBondContact O-N 3.13Å; V342-Y345 PolarHBondContact O-N 2.85Å; V342-T346 WeakPolarHBondContact O-CB 3.38Å; V342-T346 PolarHBondContact O-N 3.48Å; V342-T346 PolarHBondContact O-OG1 3.03Å
343A97.5Very high96.3Very high2 Ų260.6 Ų60.62%0.01731%0.307CS..Hα-helixtrans-62.4-45.2173.800000111.9L332 I337 D339 P340 K341 T346 V347L332-A343 HydrophobicContact CB-CB 4.05Å; L332-A343 HydrophobicContact CD1-CB 4.26Å; L332-A343 HydrophobicContact CD2-CB 3.83Å; L332-A343 HydrophobicContact CG-CB 4.26Å; I337-A343 HydrophobicContact CD1-CB 4.06Å; I337-A343 HydrophobicContact CG2-CB 4.18Å; D339-A343 PolarHBondContact O-N 3.15Å; P340-A343 WeakPolarHBondContact O-CB 3.39Å; P340-A343 PolarHBondContact O-N 3.49Å; K341-A343 VanDerWaalsContact C-N 3.3Å; K341-A343 PolarHBondContact O-N 3.47Å; A343-T346 WeakPolarHBondContact O-CB 3.27Å; A343-T346 PolarHBondContact O-N 3.25Å; A343-V347 WeakPolarHBondContact O-CG2 3.5Å; A343-V347 PolarHBondContact O-N 2.87Å
344F97.4Very high96.3Very high134 Ų13456.1 Ų56.159%0.58828%0.283SS*.Hα-helixtrans-58.3-50175.4175.5-95.3000111.9P340 K341 T346 V347 E348P340-F344 PolarHBondContact O-N 2.87Å; K341-F344 WeakPolarHBondContact O-CB 3.36Å; K341-F344 PolarHBondContact O-N 2.98Å; F344-T346 PolarHBondContact O-N 2.97Å; F344-V347 PolarHBondContact O-N 2.78Å; F344-E348 WeakPolarHBondContact O-CB 3.41Å; F344-E348 PolarHBondContact O-N 3.32Å
345Y97.4Very high96.4Very high130 Ų13056.9 Ų56.951%0.5128%0.28SS..Hα-helixtrans-61-32.5176.8-76.4-58.5000112.7Q110 K341 V342 N349Q110-Y345 PolarHBondContact NE2-O 3.32Å; K341-Y345 HydrophobicContact CB-CE2 4.48Å; K341-Y345 WeakPolarHBondContact O-CD2 3.1Å; K341-Y345 PolarHBondContact O-N 3.31Å; V342-Y345 PolarHBondContact O-N 2.85Å; Y345-N349 WeakPolarHBondContact O-CB 3.36Å; Y345-N349 PolarHBondContact O-N 3.04Å; Y345-N349 VanDerWaalsContact O-N 3.08Å; Y345-N349 PolarHBondContact O-ND2 2.74Å
346T97.7Very high96.5Very high0 Ų057.3 Ų57.30%028%0.279CS..Hα-helixtrans-69.4-45.7176.3-55.10000111.2Q110 I111 S114 T328 V342 A343 F344 E348 N349 I350Q110-T346 VanDerWaalsContact NE2-CA 3.34Å; I111-T346 HydrophobicContact CG1-CG2 4.14Å; S114-T346 VanDerWaalsContact CB-OG1 3.26Å; S114-T346 WeakPolarHBondContact CB-OG1 3.25Å; S114-T346 PolarHBondContact OG-OG1 3.25Å; T328-T346 HydrophobicContact CG2-CG2 3.66Å; V342-T346 WeakPolarHBondContact O-CB 3.38Å; V342-T346 PolarHBondContact O-N 3.48Å; V342-T346 PolarHBondContact O-OG1 3.03Å; A343-T346 WeakPolarHBondContact O-CB 3.27Å; A343-T346 PolarHBondContact O-N 3.25Å; F344-T346 PolarHBondContact O-N 2.97Å; T346-E348 VanDerWaalsContact C-N 3.34Å; T346-E348 PolarHBondContact O-N 3.25Å; T346-N349 PolarHBondContact O-N 2.65Å; T346-I350 HydrophobicContact CG2-CD1 4.37Å; T346-I350 WeakPolarHBondContact O-CG1 3.29Å; T346-I350 PolarHBondContact O-N 3.08Å
347V98.3Very high96.5Very high34 Ų3455.2 Ų55.221%0.20627%0.271CS..Hα-helixtrans-62.7-40.4174.7171.90000111.7Q325 T328 L329 A343 F344 I350 G351Q325-V347 HydrophobicContact CG-CG1 4.21Å; T328-V347 HydrophobicContact CG2-CG2 3.91Å; L329-V347 HydrophobicContact CD2-CG2 4.26Å; L329-V347 HydrophobicContact CG-CG2 4.46Å; A343-V347 WeakPolarHBondContact O-CG2 3.5Å; A343-V347 PolarHBondContact O-N 2.87Å; F344-V347 PolarHBondContact O-N 2.78Å; V347-I350 PolarHBondContact O-N 3.25Å; V347-G351 PolarHBondContact O-N 2.88Å
348E97.6Very high96.5Very high70 Ų7058.3 Ų58.333%0.32729%0.285SS..Hα-helixtrans-62.1-45.6177.7-170.9-169.6-150.700111.4F344 T346 G351 R352F344-E348 WeakPolarHBondContact O-CB 3.41Å; F344-E348 PolarHBondContact O-N 3.32Å; T346-E348 VanDerWaalsContact C-N 3.34Å; T346-E348 PolarHBondContact O-N 3.25Å; E348-G351 CarbonylContact O-C 3.57Å; E348-G351 VanDerWaalsContact O-CA 3.23Å; E348-G351 WeakPolarHBondContact O-CA 3.31Å; E348-G351 PolarHBondContact O-N 3.29Å; E348-R352 PolarHBondContact O-N 3.37Å; E348-R352 IonicContact OE1-CZ 2.64Å; E348-R352 IonicContact OE1-NH2 3.5Å; E348-R352 PolarHBondContact OE1-NH2 3.02Å; E348-R352 VanDerWaalsContact OE1-NH2 3.08Å; E348-R352 IonicContact OE2-CZ 2.71Å; E348-R352 VanDerWaalsContact OE2-CZ 3.32Å; E348-R352 IonicContact OE2-NH1 3.87Å; E348-R352 PolarHBondContact OE2-NH1 2.79Å; E348-R352 VanDerWaalsContact OE2-NH1 3.14Å; E348-R352 IonicContact OE2-NH2 2.9Å; E348-R352 PolarHBondContact OE2-NH2 3.18Å
349N97.2Very high96.7Very high19 Ų1955 Ų5510%0.10227%0.267CS..Hα-helixtrans-67.2-37.6177.7-84.4-61.5000113.4Q110 Y345 T346 G351 R352 V353Q110-N349 PolarHBondContact NE2-ND2 3.27Å; Q110-N349 PolarHBondContact OE1-ND2 3.43Å; Y345-N349 WeakPolarHBondContact O-CB 3.36Å; Y345-N349 PolarHBondContact O-N 3.04Å; Y345-N349 VanDerWaalsContact O-N 3.08Å; Y345-N349 PolarHBondContact O-ND2 2.74Å; T346-N349 PolarHBondContact O-N 2.65Å; N349-G351 PolarHBondContact O-N 3.04Å; N349-R352 PolarHBondContact ND2-NH1 2.77Å; N349-R352 VanDerWaalsContact ND2-NH1 3.15Å; N349-R352 WeakPolarHBondContact O-CB 3.3Å; N349-R352 PolarHBondContact O-N 3.33Å; N349-R352 VanDerWaalsContact O-N 3.13Å; N349-R352 PolarHBondContact OD1-NH1 3.42Å; N349-V353 PolarHBondContact O-N 3.08Å; N349-V353 VanDerWaalsContact O-N 3.15Å
350I98.5Very high96.7Very high0 Ų051.7 Ų51.70%025%0.25CC..Hα-helixtrans-55.7-42.7166.4-68.7163.8000110I107 I130 M134 I321 A324 Q325 T346 V347 R352 V353 R354I107-I350 HydrophobicContact CD1-CB 4.32Å; I107-I350 HydrophobicContact CD1-CG1 3.8Å; I130-I350 HydrophobicContact CG2-CD1 4.42Å; M134-I350 HydrophobicContact CE-CG2 4.2Å; M134-I350 HydrophobicContact SD-CG1 4.42Å; M134-I350 HydrophobicContact SD-CG2 3.89Å; I321-I350 HydrophobicContact CG2-CG2 3.48Å; I321-I350 VanDerWaalsContact CG2-CG2 3.48Å; A324-I350 HydrophobicContact CB-CD1 4.31Å; Q325-I350 HydrophobicContact CG-CB 4.36Å; Q325-I350 HydrophobicContact CG-CD1 4.48Å; Q325-I350 HydrophobicContact CG-CG2 3.73Å; T346-I350 HydrophobicContact CG2-CD1 4.37Å; T346-I350 WeakPolarHBondContact O-CG1 3.29Å; T346-I350 PolarHBondContact O-N 3.08Å; V347-I350 PolarHBondContact O-N 3.25Å; I350-R352 PolarHBondContact O-N 3.48Å; I350-V353 PolarHBondContact O-N 3.46Å; I350-R354 PolarHBondContact O-N 3.46Å
351G97.8Very high96.5Very high17 Ų1748.5 Ų48.518%0.17523%0.227CC..Hα-helixtrans-61.7-37.3174.400000114.3V347 E348 N349 R354 Q355V347-G351 PolarHBondContact O-N 2.88Å; E348-G351 CarbonylContact O-C 3.57Å; E348-G351 VanDerWaalsContact O-CA 3.23Å; E348-G351 WeakPolarHBondContact O-CA 3.31Å; E348-G351 PolarHBondContact O-N 3.29Å; N349-G351 PolarHBondContact O-N 3.04Å; G351-R354 WeakPolarHBondContact O-CB 3.44Å; G351-R354 PolarHBondContact O-N 3.08Å; G351-Q355 PolarHBondContact O-N 2.95Å
352R97.7Very high96.1Very high109 Ų10943.8 Ų43.841%0.41121%0.211SC..Hα-helixtrans-63.8-41.4175.1-68.1-177-180101.17.9111.8E348 N349 I350 Q355 S356E348-R352 PolarHBondContact O-N 3.37Å; E348-R352 IonicContact OE1-CZ 2.64Å; E348-R352 IonicContact OE1-NH2 3.5Å; E348-R352 PolarHBondContact OE1-NH2 3.02Å; E348-R352 VanDerWaalsContact OE1-NH2 3.08Å; E348-R352 IonicContact OE2-CZ 2.71Å; E348-R352 VanDerWaalsContact OE2-CZ 3.32Å; E348-R352 IonicContact OE2-NH1 3.87Å; E348-R352 PolarHBondContact OE2-NH1 2.79Å; E348-R352 VanDerWaalsContact OE2-NH1 3.14Å; E348-R352 IonicContact OE2-NH2 2.9Å; E348-R352 PolarHBondContact OE2-NH2 3.18Å; N349-R352 PolarHBondContact ND2-NH1 2.77Å; N349-R352 VanDerWaalsContact ND2-NH1 3.15Å; N349-R352 WeakPolarHBondContact O-CB 3.3Å; N349-R352 PolarHBondContact O-N 3.33Å; N349-R352 VanDerWaalsContact O-N 3.13Å; N349-R352 PolarHBondContact OD1-NH1 3.42Å; I350-R352 PolarHBondContact O-N 3.48Å; R352-Q355 PolarHBondContact O-N 2.88Å; R352-S356 PolarHBondContact O-N 3.28Å; R352-S356 PolarHBondContact O-OG 3.35Å
353V97.4Very high95.8Very high14 Ų1444.3 Ų44.39%0.08521%0.208CC..Hα-helixtrans-65.4-42.2175.21740000110.9P102 M104 I107 M134 N349 I350 Q355 S356 M357P102-V353 HydrophobicContact CB-CG1 4.05Å; M104-V353 HydrophobicContact CE-CG1 4.14Å; I107-V353 HydrophobicContact CB-CG2 4.21Å; I107-V353 HydrophobicContact CD1-CB 4.32Å; I107-V353 HydrophobicContact CD1-CG2 3.73Å; I107-V353 HydrophobicContact CG2-CG2 4.24Å; M134-V353 HydrophobicContact CE-CB 3.72Å; M134-V353 HydrophobicContact CE-CG1 3.43Å; M134-V353 VanDerWaalsContact CE-CG1 3.43Å; M134-V353 HydrophobicContact CE-CG2 4.4Å; N349-V353 PolarHBondContact O-N 3.08Å; N349-V353 VanDerWaalsContact O-N 3.15Å; I350-V353 PolarHBondContact O-N 3.46Å; V353-Q355 VanDerWaalsContact C-N 3.35Å; V353-Q355 PolarHBondContact O-N 3.43Å; V353-S356 PolarHBondContact O-N 2.92Å; V353-M357 HydrophobicContact CG1-CE 3.65Å; V353-M357 PolarHBondContact O-N 3.46Å
354R97.2Very high95.4Very high66 Ų6644.8 Ų44.825%0.24921%0.211CC..Hα-helixtrans-57.8-45.9172.1-172.2-155.965.570.16.3111.9I321 I350 G351 S356 M357 Q358I321-R354 HydrophobicContact CD1-CB 3.9Å; I321-R354 HydrophobicContact CD1-CG 3.86Å; I321-R354 HydrophobicContact CG2-CB 4.14Å; I321-R354 HydrophobicContact CG2-CG 4.41Å; I350-R354 PolarHBondContact O-N 3.46Å; G351-R354 WeakPolarHBondContact O-CB 3.44Å; G351-R354 PolarHBondContact O-N 3.08Å; R354-S356 VanDerWaalsContact C-N 3.32Å; R354-S356 PolarHBondContact O-N 3.16Å; R354-M357 PolarHBondContact O-N 3.34Å; R354-Q358 WeakPolarHBondContact O-CB 3.5Å; R354-Q358 PolarHBondContact O-N 3.42Å
355Q96.7Very high94.8Very high73 Ų7339.1 Ų39.134%0.34119%0.188SC..Hα-helixtrans-62.9-40.7179.9-172.761.144.500111.6G351 R352 V353 Q358 N359G351-Q355 PolarHBondContact O-N 2.95Å; R352-Q355 PolarHBondContact O-N 2.88Å; V353-Q355 VanDerWaalsContact C-N 3.35Å; V353-Q355 PolarHBondContact O-N 3.43Å; Q355-Q358 PolarHBondContact O-N 3Å; Q355-N359 PolarHBondContact NE2-OD1 3.04Å; Q355-N359 WeakPolarHBondContact O-CB 3.46Å; Q355-N359 VanDerWaalsContact O-CG 3.25Å; Q355-N359 PolarHBondContact O-N 3.21Å
356S97Very high94.2Very high36 Ų3636.3 Ų36.325%0.25218%0.181SC..Hα-helixtrans-62.6-46.9176.6-55.20000111.1R352 V353 R354 Q358 N359 L360R352-S356 PolarHBondContact O-N 3.28Å; R352-S356 PolarHBondContact O-OG 3.35Å; V353-S356 PolarHBondContact O-N 2.92Å; R354-S356 VanDerWaalsContact C-N 3.32Å; R354-S356 PolarHBondContact O-N 3.16Å; S356-Q358 PolarHBondContact O-N 2.93Å; S356-N359 PolarHBondContact O-N 3.42Å; S356-L360 WeakPolarHBondContact O-CB 3.49Å; S356-L360 PolarHBondContact O-N 2.97Å
357M95.2Very high93.6Very high0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-58.7-45.1172.9-78.8-165.9-97.100112.4P102 A137 W138 M141 Y317 I321 V353 R354 N359 L360 Q361P102-M357 HydrophobicContact CG-CG 3.9Å; A137-M357 HydrophobicContact CB-CE 4.06Å; W138-M357 HydrophobicContact CE3-CG 3.9Å; W138-M357 HydrophobicContact CE3-SD 3.9Å; W138-M357 HydrophobicContact CZ3-CG 4.1Å; M141-M357 HydrophobicContact CB-SD 3.95Å; M141-M357 HydrophobicContact CE-CB 3.85Å; M141-M357 WeakPolarHBondContact CE-O 3.38Å; M141-M357 HydrophobicContact CG-CB 4.46Å; M141-M357 HydrophobicContact CG-CG 4.35Å; M141-M357 HydrophobicContact CG-SD 4.32Å; Y317-M357 HydrophobicContact CD2-CB 4.24Å; Y317-M357 HydrophobicContact CD2-CE 4.48Å; Y317-M357 HydrophobicContact CD2-SD 3.77Å; Y317-M357 HydrophobicContact CE2-CB 3.77Å; Y317-M357 HydrophobicContact CE2-SD 4.25Å; I321-M357 HydrophobicContact CD1-CE 3.48Å; I321-M357 VanDerWaalsContact CD1-CE 3.48Å; I321-M357 HydrophobicContact CG1-CE 4.33Å; V353-M357 HydrophobicContact CG1-CE 3.65Å; V353-M357 PolarHBondContact O-N 3.46Å; R354-M357 PolarHBondContact O-N 3.34Å; M357-N359 PolarHBondContact O-N 3.42Å; M357-L360 WeakPolarHBondContact O-CB 3.23Å; M357-L360 PolarHBondContact O-N 2.67Å; M357-Q361 PolarHBondContact O-N 2.8Å
358Q94.7Very high93.1Very high68 Ų6840.2 Ų40.232%0.31820%0.199SC..Hα-helixtrans-60.7-46.8177.7-178.8-179.312.900111.6R354 Q355 S356 L360 Q361 V362R354-Q358 WeakPolarHBondContact O-CB 3.5Å; R354-Q358 PolarHBondContact O-N 3.42Å; Q355-Q358 PolarHBondContact O-N 3Å; S356-Q358 PolarHBondContact O-N 2.93Å; Q358-L360 VanDerWaalsContact C-N 3.29Å; Q358-L360 PolarHBondContact O-N 2.98Å; Q358-Q361 WeakPolarHBondContact O-CB 3.05Å; Q358-Q361 PolarHBondContact O-N 3.46Å; Q358-V362 HydrophobicContact CG-CG2 4.48Å; Q358-V362 VanDerWaalsContact O-CG2 3.32Å; Q358-V362 WeakPolarHBondContact O-CG2 3.43Å; Q358-V362 PolarHBondContact O-N 3Å
359N94.3Very high92.8Very high39 Ų3940.9 Ų40.921%0.20921%0.209CC..Hα-helixtrans-59.3-44.8177-70.9-11.6000110.2Y100 Q355 S356 M357 Q361 V362 Y363Y100-N359 HydrophobicContact CD1-CB 3.8Å; Y100-N359 HydrophobicContact CD2-CB 3.71Å; Y100-N359 HydrophobicContact CE1-CB 4.03Å; Y100-N359 WeakPolarHBondContact CE1-ND2 3.27Å; Y100-N359 HydrophobicContact CE2-CB 3.98Å; Y100-N359 HydrophobicContact CG-CB 3.66Å; Q355-N359 PolarHBondContact NE2-OD1 3.04Å; Q355-N359 WeakPolarHBondContact O-CB 3.46Å; Q355-N359 VanDerWaalsContact O-CG 3.25Å; Q355-N359 PolarHBondContact O-N 3.21Å; S356-N359 PolarHBondContact O-N 3.42Å; M357-N359 PolarHBondContact O-N 3.42Å; N359-Q361 VanDerWaalsContact C-N 3.32Å; N359-Q361 PolarHBondContact O-N 3.05Å; N359-V362 PolarHBondContact O-N 3.43Å; N359-Y363 VanDerWaalsContact O-CD2 3.31Å; N359-Y363 WeakPolarHBondContact O-CD2 3.15Å; N359-Y363 PolarHBondContact O-N 3.13Å
360L93.2Very high92.4Very high0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-57.5-46.2176.8-163.760.1000111.9M97 I101 W138 I145 S356 M357 Q358 V362 Y363 S364 F434M97-L360 HydrophobicContact CB-CD1 4.14Å; M97-L360 WeakPolarHBondContact O-CD1 3.28Å; I101-L360 HydrophobicContact CG1-CD2 4.49Å; W138-L360 HydrophobicContact CH2-CD2 3.78Å; W138-L360 HydrophobicContact CZ3-CD2 3.93Å; I145-L360 HydrophobicContact CD1-CD2 3.61Å; I145-L360 HydrophobicContact CD1-CG 3.75Å; S356-L360 WeakPolarHBondContact O-CB 3.49Å; S356-L360 PolarHBondContact O-N 2.97Å; M357-L360 WeakPolarHBondContact O-CB 3.23Å; M357-L360 PolarHBondContact O-N 2.67Å; Q358-L360 VanDerWaalsContact C-N 3.29Å; Q358-L360 PolarHBondContact O-N 2.98Å; L360-V362 PolarHBondContact O-N 2.59Å; L360-Y363 PolarHBondContact O-N 2.8Å; L360-S364 VanDerWaalsContact O-CB 3.27Å; L360-S364 WeakPolarHBondContact O-CB 3.19Å; L360-S364 PolarHBondContact O-N 3.13Å; L360-S364 PolarHBondContact O-OG 3.49Å; L360-F434 HydrophobicContact CD1-CE2 3.97Å; L360-F434 HydrophobicContact CD1-CZ 3.57Å; L360-F434 HydrophobicContact CD2-CE1 4.33Å; L360-F434 HydrophobicContact CD2-CZ 4.02Å; L360-F434 HydrophobicContact CG-CE2 4.49Å; L360-F434 HydrophobicContact CG-CZ 4.02Å
361Q90.3Very high92.3Very high15 Ų1550.1 Ų50.17%0.0726%0.261CS..Hα-helixtrans-58.6-48.8175.7-170.1-179.5-0.700111.3M141 Y317 M357 Q358 N359 Y363 S364 S365M141-Q361 HydrophobicContact CE-CB 3.78Å; M141-Q361 HydrophobicContact CE-CG 4.37Å; M141-Q361 HydrophobicContact SD-CB 4.02Å; M141-Q361 HydrophobicContact SD-CG 4.38Å; Y317-Q361 PolarHBondContact OH-OE1 2.84Å; M357-Q361 PolarHBondContact O-N 2.8Å; Q358-Q361 WeakPolarHBondContact O-CB 3.05Å; Q358-Q361 PolarHBondContact O-N 3.46Å; N359-Q361 VanDerWaalsContact C-N 3.32Å; N359-Q361 PolarHBondContact O-N 3.05Å; Q361-Y363 PolarHBondContact O-N 3.49Å; Q361-S364 WeakPolarHBondContact CA-OG 3.42Å; Q361-S364 CarbonylContact O-C 3.41Å; Q361-S364 PolarHBondContact O-N 3.3Å; Q361-S364 PolarHBondContact O-OG 2.9Å; Q361-S365 WeakPolarHBondContact O-CB 3.44Å; Q361-S365 PolarHBondContact O-N 3.45Å; Q361-S365 PolarHBondContact O-OG 2.97Å
362V89.3Confident92.1Very high45 Ų4553.6 Ų53.627%0.27327%0.269SS..Hα-helixtrans-60-46.3-180171.60000111.9P189 Q358 N359 L360 S364 S365 I366P189-V362 HydrophobicContact CB-CG2 3.77Å; P189-V362 HydrophobicContact CG-CG2 3.98Å; Q358-V362 HydrophobicContact CG-CG2 4.48Å; Q358-V362 VanDerWaalsContact O-CG2 3.32Å; Q358-V362 WeakPolarHBondContact O-CG2 3.43Å; Q358-V362 PolarHBondContact O-N 3Å; N359-V362 PolarHBondContact O-N 3.43Å; L360-V362 PolarHBondContact O-N 2.59Å; V362-S364 VanDerWaalsContact C-N 3.29Å; V362-S364 PolarHBondContact O-N 2.95Å; V362-S365 WeakPolarHBondContact CA-OG 3.36Å; V362-S365 PolarHBondContact O-N 3.4Å; V362-S365 PolarHBondContact O-OG 3.04Å; V362-I366 HydrophobicContact CG1-CD1 3.81Å; V362-I366 WeakPolarHBondContact O-CB 3.36Å; V362-I366 WeakPolarHBondContact O-CG1 3.29Å; V362-I366 PolarHBondContact O-N 3.46Å
363Y90.1Very high92Very high60 Ų6049 Ų4924%0.23525%0.254CS..Hα-helixtrans-66.5-33178.1-87.5-93.7000112.5R93 Q96 M97 Y100 N359 L360 Q361R93-Y363 PolarHBondContact NH2-O 2.97Å; Q96-Y363 HydrophobicContact CB-CD1 4.21Å; Q96-Y363 HydrophobicContact CB-CE1 3.67Å; Q96-Y363 HydrophobicContact CB-CE2 4.48Å; Q96-Y363 HydrophobicContact CG-CE1 4.08Å; M97-Y363 HydrophobicContact CG-CD1 4.45Å; M97-Y363 HydrophobicContact CG-CG 4.36Å; Y100-Y363 HydrophobicContact CD2-CD2 4.08Å; Y100-Y363 HydrophobicContact CD2-CE2 4.13Å; Y100-Y363 AromaticContact CE2-CD2 3.91Å; Y100-Y363 HydrophobicContact CE2-CD2 3.91Å; Y100-Y363 AromaticContact CE2-CE2 3.48Å; Y100-Y363 HydrophobicContact CE2-CE2 3.48Å; Y100-Y363 VanDerWaalsContact CE2-CE2 3.48Å; N359-Y363 VanDerWaalsContact O-CD2 3.31Å; N359-Y363 WeakPolarHBondContact O-CD2 3.15Å; N359-Y363 PolarHBondContact O-N 3.13Å; L360-Y363 PolarHBondContact O-N 2.8Å; Q361-Y363 PolarHBondContact O-N 3.49Å
364S87.4Confident91.9Very high12 Ų1252.8 Ų52.88%0.08427%0.27CS..Hα-helixtrans-80.1-17.217775.10000114.1I145 L360 Q361 V362 M367I145-S364 VanDerWaalsContact CG2-OG 3.27Å; I145-S364 WeakPolarHBondContact CG2-OG 3.49Å; L360-S364 VanDerWaalsContact O-CB 3.27Å; L360-S364 WeakPolarHBondContact O-CB 3.19Å; L360-S364 PolarHBondContact O-N 3.13Å; L360-S364 PolarHBondContact O-OG 3.49Å; Q361-S364 WeakPolarHBondContact CA-OG 3.42Å; Q361-S364 CarbonylContact O-C 3.41Å; Q361-S364 PolarHBondContact O-N 3.3Å; Q361-S364 PolarHBondContact O-OG 2.9Å; V362-S364 VanDerWaalsContact C-N 3.29Å; V362-S364 PolarHBondContact O-N 2.95Å; S364-M367 VanDerWaalsContact C-CE 3.44Å; S364-M367 WeakPolarHBondContact O-CE 3.39Å
365S84.7Confident91.9Very high15 Ų1553.1 Ų53.111%0.10528%0.28CS..Hα-helixtrans-97.2-35178.857.40000112.9C187 P189 Q361 V362 M367C187-S365 WeakPolarHBondContact O-CB 3.48Å; P189-S365 VanDerWaalsContact CD-OG 3.27Å; P189-S365 WeakPolarHBondContact CD-OG 3.41Å; P189-S365 WeakPolarHBondContact CG-OG 3.3Å; Q361-S365 WeakPolarHBondContact O-CB 3.44Å; Q361-S365 PolarHBondContact O-N 3.45Å; Q361-S365 PolarHBondContact O-OG 2.97Å; V362-S365 WeakPolarHBondContact CA-OG 3.36Å; V362-S365 PolarHBondContact O-N 3.4Å; V362-S365 PolarHBondContact O-OG 3.04Å; S365-M367 PolarHBondContact O-N 2.83Å
366I85.9Confident91.8Very high70 Ų7049.6 Ų49.636%0.35926%0.263SS..SBendtrans-96.297.4-177.8-56.8177.4000108.3R93 W190 V362R93-I366 PolarHBondContact NH2-O 3.3Å; W190-I366 HydrophobicContact CH2-CD1 4.5Å; W190-I366 HydrophobicContact CZ3-CD1 4.06Å; V362-I366 HydrophobicContact CG1-CD1 3.81Å; V362-I366 WeakPolarHBondContact O-CB 3.36Å; V362-I366 WeakPolarHBondContact O-CG1 3.29Å; V362-I366 PolarHBondContact O-N 3.46Å
367M84.4Confident91.8Very high83 Ų8350.5 Ų50.541%0.40927%0.265SS..PPolyproline II helixtrans-76.2162.3177.7-65.3-62.9132.600112.3S364 S365S364-M367 VanDerWaalsContact C-CE 3.44Å; S364-M367 WeakPolarHBondContact O-CE 3.39Å; S365-M367 PolarHBondContact O-N 2.83Å
368I87.4Confident91.9Very high34 Ų3455.5 Ų55.517%0.17429%0.29CS..PPolyproline II helixtrans-60.9137.3166.1-74.9164.2000108.6I90 L370 Y372I90-I368 HydrophobicContact CD1-CD1 3.18Å; I90-I368 HydrophobicContact CG1-CD1 3.78Å; I368-L370 PolarHBondContact O-N 3.42Å; I368-Y372 HydrophobicContact CG2-CD1 3.77Å
369P91.6Very high91.9Very high83 Ų8353 Ų5354%0.53928%0.282SS..PPolyproline II helixtrans-52129.3-179.7-29.235.7000112.1V371 Y372 T373P369-V371 HydrophobicContact CB-CG1 4.1Å; P369-V371 PolarHBondContact O-N 3.16Å; P369-V371 VanDerWaalsContact O-N 3.16Å; P369-Y372 WeakPolarHBondContact O-CB 3.26Å; P369-Y372 PolarHBondContact O-N 3.33Å; P369-T373 PolarHBondContact O-N 2.94Å
370L90.5Very high92Very high118 Ų11851.2 Ų51.262%0.61827%0.272SS*.Hα-helixtrans-54.3-39.3-177.5177.761.4000112I368 Y372 T373 Q374I368-L370 PolarHBondContact O-N 3.42Å; L370-Y372 PolarHBondContact O-N 3.48Å; L370-T373 PolarHBondContact O-N 3.36Å; L370-Q374 HydrophobicContact CD1-CG 4.03Å; L370-Q374 HydrophobicContact CG-CG 4.05Å; L370-Q374 WeakPolarHBondContact O-CB 3.22Å; L370-Q374 VanDerWaalsContact O-CG 3.31Å; L370-Q374 WeakPolarHBondContact O-CG 3.25Å; L370-Q374 PolarHBondContact O-N 2.92Å
371V95.3Very high92.1Very high95 Ų9555.9 Ų55.958%0.57629%0.29SS*.Hα-helixtrans-56.4-37.4177.664.30000112.2P369 Q374 V375P369-V371 HydrophobicContact CB-CG1 4.1Å; P369-V371 PolarHBondContact O-N 3.16Å; P369-V371 VanDerWaalsContact O-N 3.16Å; V371-Q374 PolarHBondContact O-N 3.4Å; V371-V375 VanDerWaalsContact O-CG2 3.28Å; V371-V375 WeakPolarHBondContact O-CG2 3.12Å; V371-V375 PolarHBondContact O-N 3.08Å
372Y94Very high92.3Very high90 Ų9057.6 Ų57.635%0.35330%0.304SS..Hα-helixtrans-70.7-45.9179.7-175.8-142.9000111.1F86 I368 P369 L370 Q374 V375 V376F86-Y372 WeakPolarHBondContact CA-OH 3.36Å; F86-Y372 HydrophobicContact CD2-CD1 4.05Å; F86-Y372 AromaticContact CD2-CE1 3.72Å; F86-Y372 HydrophobicContact CD2-CE1 3.72Å; F86-Y372 HydrophobicContact CE2-CD1 4.42Å; F86-Y372 HydrophobicContact CE2-CE1 4.49Å; F86-Y372 PolarHBondContact N-OH 3.47Å; I368-Y372 HydrophobicContact CG2-CD1 3.77Å; P369-Y372 WeakPolarHBondContact O-CB 3.26Å; P369-Y372 PolarHBondContact O-N 3.33Å; L370-Y372 PolarHBondContact O-N 3.48Å; Y372-Q374 VanDerWaalsContact C-N 3.29Å; Y372-Q374 PolarHBondContact O-N 2.89Å; Y372-V375 PolarHBondContact O-N 3.17Å; Y372-V376 HydrophobicContact CD2-CG2 4.38Å; Y372-V376 HydrophobicContact CE2-CG2 4.15Å; Y372-V376 WeakPolarHBondContact O-CG2 3.12Å; Y372-V376 PolarHBondContact O-N 3.28Å
373T94.8Very high92.6Very high13 Ų1356.8 Ų56.88%0.0830%0.296CS..Hα-helixtrans-59-41.4173.1-55.30000111.5F86 P369 L370 V376 I377 L428 M431F86-T373 HydrophobicContact CZ-CG2 4.22Å; P369-T373 PolarHBondContact O-N 2.94Å; L370-T373 PolarHBondContact O-N 3.36Å; T373-V376 PolarHBondContact O-N 2.83Å; T373-I377 HydrophobicContact CG2-CD1 3.82Å; T373-I377 HydrophobicContact CG2-CG1 4.45Å; T373-I377 WeakPolarHBondContact O-CB 3.44Å; T373-I377 VanDerWaalsContact O-CG1 3.28Å; T373-I377 WeakPolarHBondContact O-CG1 3.39Å; T373-I377 PolarHBondContact O-N 3.08Å; T373-L428 HydrophobicContact CG2-CD2 3.91Å; T373-M431 HydrophobicContact CG2-CE 4.43Å
374Q96.6Very high92.9Very high93 Ų9354.3 Ų54.344%0.43529%0.286SS..Hα-helixtrans-63.9-44.5177.7-77.3176.7-31.700112.4L370 V371 Y372 V376 I377 I378L370-Q374 HydrophobicContact CD1-CG 4.03Å; L370-Q374 HydrophobicContact CG-CG 4.05Å; L370-Q374 WeakPolarHBondContact O-CB 3.22Å; L370-Q374 VanDerWaalsContact O-CG 3.31Å; L370-Q374 WeakPolarHBondContact O-CG 3.25Å; L370-Q374 PolarHBondContact O-N 2.92Å; V371-Q374 PolarHBondContact O-N 3.4Å; Y372-Q374 VanDerWaalsContact C-N 3.29Å; Y372-Q374 PolarHBondContact O-N 2.89Å; Q374-V376 VanDerWaalsContact C-N 3.28Å; Q374-V376 PolarHBondContact O-N 2.84Å; Q374-I377 PolarHBondContact O-N 2.88Å; Q374-I378 WeakPolarHBondContact O-CB 3.47Å; Q374-I378 VanDerWaalsContact O-CG1 3.24Å; Q374-I378 WeakPolarHBondContact O-CG1 3.35Å; Q374-I378 PolarHBondContact O-N 3.05Å
375V95.8Very high93.2Very high73 Ų7359.4 Ų59.444%0.44231%0.31SS..Hα-helixtrans-57.9-43.8176.9166.20000110.8L82 V371 Y372 A379L82-V375 HydrophobicContact CD1-CG1 4.27Å; V371-V375 VanDerWaalsContact O-CG2 3.28Å; V371-V375 WeakPolarHBondContact O-CG2 3.12Å; V371-V375 PolarHBondContact O-N 3.08Å; Y372-V375 PolarHBondContact O-N 3.17Å; V375-A379 VanDerWaalsContact O-CB 3.28Å; V375-A379 WeakPolarHBondContact O-CB 3.5Å; V375-A379 PolarHBondContact O-N 2.97Å
376V96.4Very high93.6Very high0 Ų059.6 Ų59.60%031%0.312CS..Hα-helixtrans-67-45.3179.2179.70000111.4L82 L83 F86 Y372 T373 Q374 A379 V380 L424L82-V376 HydrophobicContact CD2-CB 3.88Å; L82-V376 HydrophobicContact CD2-CG1 3.88Å; L82-V376 HydrophobicContact CD2-CG2 3.53Å; L83-V376 HydrophobicContact CD1-CG1 3.82Å; F86-V376 HydrophobicContact CB-CG1 4.2Å; F86-V376 HydrophobicContact CB-CG2 3.74Å; F86-V376 HydrophobicContact CD1-CB 4.39Å; F86-V376 HydrophobicContact CD1-CG1 3.79Å; F86-V376 HydrophobicContact CD1-CG2 4.29Å; F86-V376 HydrophobicContact CD2-CB 4.4Å; F86-V376 HydrophobicContact CD2-CG2 3.66Å; F86-V376 HydrophobicContact CE1-CG1 4.3Å; F86-V376 HydrophobicContact CE2-CG2 4.31Å; F86-V376 HydrophobicContact CG-CB 4.21Å; F86-V376 HydrophobicContact CG-CG1 3.95Å; F86-V376 HydrophobicContact CG-CG2 3.63Å; Y372-V376 HydrophobicContact CD2-CG2 4.38Å; Y372-V376 HydrophobicContact CE2-CG2 4.15Å; Y372-V376 WeakPolarHBondContact O-CG2 3.12Å; Y372-V376 PolarHBondContact O-N 3.28Å; T373-V376 PolarHBondContact O-N 2.83Å; Q374-V376 VanDerWaalsContact C-N 3.28Å; Q374-V376 PolarHBondContact O-N 2.84Å; V376-A379 PolarHBondContact O-N 3.08Å; V376-V380 HydrophobicContact CG1-CG2 4.45Å; V376-V380 WeakPolarHBondContact O-CG2 3.38Å; V376-V380 PolarHBondContact O-N 3Å; V376-L424 HydrophobicContact CG1-CD1 3.96Å
377I96.5Very high94Very high55 Ų5556.8 Ų56.828%0.28230%0.297SS..Hα-helixtrans-59.5-51.7176.3-72.3172.7000110T373 Q374 A379 V380 Y381 L424 L428T373-I377 HydrophobicContact CG2-CD1 3.82Å; T373-I377 HydrophobicContact CG2-CG1 4.45Å; T373-I377 WeakPolarHBondContact O-CB 3.44Å; T373-I377 VanDerWaalsContact O-CG1 3.28Å; T373-I377 WeakPolarHBondContact O-CG1 3.39Å; T373-I377 PolarHBondContact O-N 3.08Å; Q374-I377 PolarHBondContact O-N 2.88Å; I377-A379 VanDerWaalsContact C-N 3.3Å; I377-A379 PolarHBondContact O-N 3.37Å; I377-V380 PolarHBondContact O-N 2.93Å; I377-Y381 HydrophobicContact CG2-CD2 3.67Å; I377-Y381 HydrophobicContact CG2-CE2 3.9Å; I377-Y381 WeakPolarHBondContact O-CB 3.36Å; I377-Y381 VanDerWaalsContact O-CD2 3.29Å; I377-Y381 WeakPolarHBondContact O-CD2 3.37Å; I377-Y381 PolarHBondContact O-N 3.03Å; I377-L424 HydrophobicContact CG1-CD1 4.46Å; I377-L428 HydrophobicContact CD1-CD2 4.45Å
378I95.9Very high94.4Very high105 Ų10553.5 Ų53.554%0.53828%0.281SS..Hα-helixtrans-58.9-42.9179.7-68.6166.4000110.7Q374 S382Q374-I378 WeakPolarHBondContact O-CB 3.47Å; Q374-I378 VanDerWaalsContact O-CG1 3.24Å; Q374-I378 WeakPolarHBondContact O-CG1 3.35Å; Q374-I378 PolarHBondContact O-N 3.05Å; I378-S382 WeakPolarHBondContact O-CB 3.44Å; I378-S382 PolarHBondContact O-N 2.86Å; I378-S382 PolarHBondContact O-OG 3.19Å
379A95.7Very high94.6Very high16 Ų1654.2 Ų54.213%0.13228%0.283CS..Hα-helixtrans-61.9-48.1178.200000112.1I77 L82 V375 V376 I377 Y383I77-A379 HydrophobicContact CG2-CB 4.49Å; L82-A379 HydrophobicContact CD1-CB 4.42Å; L82-A379 HydrophobicContact CD2-CB 4.24Å; V375-A379 VanDerWaalsContact O-CB 3.28Å; V375-A379 WeakPolarHBondContact O-CB 3.5Å; V375-A379 PolarHBondContact O-N 2.97Å; V376-A379 PolarHBondContact O-N 3.08Å; I377-A379 VanDerWaalsContact C-N 3.3Å; I377-A379 PolarHBondContact O-N 3.37Å; A379-Y383 WeakPolarHBondContact O-CB 3.39Å; A379-Y383 PolarHBondContact O-N 3.13Å
380V96.2Very high94.6Very high0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-65.5-46.5-179.8172.50000111.2I79 L83 V376 I377 Y383 F384 M421 L424I79-V380 HydrophobicContact CG2-CG2 3.99Å; L83-V380 HydrophobicContact CD1-CG2 4.38Å; L83-V380 HydrophobicContact CD2-CG2 4.44Å; V376-V380 HydrophobicContact CG1-CG2 4.45Å; V376-V380 WeakPolarHBondContact O-CG2 3.38Å; V376-V380 PolarHBondContact O-N 3Å; I377-V380 PolarHBondContact O-N 2.93Å; V380-Y383 WeakPolarHBondContact O-CB 3.48Å; V380-Y383 PolarHBondContact O-N 3.42Å; V380-F384 HydrophobicContact CG1-CD2 3.8Å; V380-F384 HydrophobicContact CG1-CE2 3.51Å; V380-F384 WeakPolarHBondContact O-CD2 3.37Å; V380-F384 PolarHBondContact O-N 3.29Å; V380-M421 HydrophobicContact CG1-SD 4.31Å; V380-L424 HydrophobicContact CB-CD2 3.94Å; V380-L424 HydrophobicContact CG1-CD2 3.76Å; V380-L424 HydrophobicContact CG2-CD2 4.17Å
381Y95.7Very high94.4Very high98 Ų9847 Ų4738%0.38425%0.245SC..Hα-helixtrans-69.6-38.9179.7-81.7-92000112.3D36 I377 Y383 F384 M385 M421 L424D36-Y381 PolarHBondContact OD1-OH 3.47Å; I377-Y381 HydrophobicContact CG2-CD2 3.67Å; I377-Y381 HydrophobicContact CG2-CE2 3.9Å; I377-Y381 WeakPolarHBondContact O-CB 3.36Å; I377-Y381 VanDerWaalsContact O-CD2 3.29Å; I377-Y381 WeakPolarHBondContact O-CD2 3.37Å; I377-Y381 PolarHBondContact O-N 3.03Å; Y381-Y383 VanDerWaalsContact C-N 3.31Å; Y381-Y383 PolarHBondContact O-N 3.38Å; Y381-F384 PolarHBondContact O-N 2.81Å; Y381-F384 VanDerWaalsContact O-N 3.15Å; Y381-M385 WeakPolarHBondContact O-CG 3.38Å; Y381-M385 PolarHBondContact O-N 2.97Å; Y381-M421 HydrophobicContact CE1-CE 4.48Å; Y381-M421 HydrophobicContact CE2-CE 3.93Å; Y381-M421 WeakPolarHBondContact OH-CE 3.26Å; Y381-L424 HydrophobicContact CE2-CD2 4.31Å
382S94.6Very high94.1Very high51 Ų5143 Ų4336%0.35722%0.22SC..Hα-helixtrans-64.7-37176.1-57.80000112I378 M385 C386I378-S382 WeakPolarHBondContact O-CB 3.44Å; I378-S382 PolarHBondContact O-N 2.86Å; I378-S382 PolarHBondContact O-OG 3.19Å; S382-M385 WeakPolarHBondContact O-CB 3.39Å; S382-M385 PolarHBondContact O-N 3.35Å; S382-C386 PolarHBondContact O-N 3.42Å; S382-C386 PolarHBondContact O-SG 3.29Å; S382-C386 VanDerWaalsContact O-SG 3.41Å
383Y95.7Very high93.2Very high29 Ų2941.8 Ų41.811%0.11422%0.217CC..Hα-helixtrans-61.9-44.8170.8173.1-97.2000112.5K74 I79 A379 V380 Y381 M385 C386 Q387 L420K74-Y383 HydrophobicContact CB-CD2 4.46Å; K74-Y383 HydrophobicContact CD-CD2 4.3Å; K74-Y383 HydrophobicContact CD-CE2 3.85Å; K74-Y383 WeakPolarHBondContact CE-OH 3.16Å; K74-Y383 HydrophobicContact CG-CD2 3.34Å; K74-Y383 HydrophobicContact CG-CE2 3.28Å; K74-Y383 HydrophobicContact CG-CG 4.33Å; K74-Y383 PolarHBondContact NZ-OH 3.15Å; I79-Y383 HydrophobicContact CD1-CD1 3.68Å; I79-Y383 HydrophobicContact CD1-CD2 2.87Å; I79-Y383 HydrophobicContact CD1-CE1 4.21Å; I79-Y383 HydrophobicContact CD1-CE2 3.4Å; I79-Y383 HydrophobicContact CD1-CG 2.95Å; I79-Y383 HydrophobicContact CG1-CD2 4.31Å; I79-Y383 HydrophobicContact CG1-CG 4.37Å; A379-Y383 WeakPolarHBondContact O-CB 3.39Å; A379-Y383 PolarHBondContact O-N 3.13Å; V380-Y383 WeakPolarHBondContact O-CB 3.48Å; V380-Y383 PolarHBondContact O-N 3.42Å; Y381-Y383 VanDerWaalsContact C-N 3.31Å; Y381-Y383 PolarHBondContact O-N 3.38Å; Y383-M385 VanDerWaalsContact C-N 3.3Å; Y383-M385 PolarHBondContact O-N 2.82Å; Y383-C386 PolarHBondContact O-N 3.31Å; Y383-Q387 HydrophobicContact CD1-CB 4.45Å; Y383-Q387 HydrophobicContact CE1-CB 4.42Å; Y383-Q387 WeakPolarHBondContact O-CB 3.46Å; Y383-Q387 PolarHBondContact O-N 2.96Å; Y383-L420 HydrophobicContact CD1-CD1 3.96Å; Y383-L420 HydrophobicContact CE1-CD1 3.33Å
384F95.5Very high92Very high8 Ų842.4 Ų42.44%0.03522%0.22CC..Hα-helixtrans-65.6-35.7178.1-75.6-51.5000112.3Y40 V380 Y381 Q387 I388 F417 L420 M421Y40-F384 HydrophobicContact CD2-CD1 4.48Å; Y40-F384 HydrophobicContact CE2-CD1 4.08Å; V380-F384 HydrophobicContact CG1-CD2 3.8Å; V380-F384 HydrophobicContact CG1-CE2 3.51Å; V380-F384 WeakPolarHBondContact O-CD2 3.37Å; V380-F384 PolarHBondContact O-N 3.29Å; Y381-F384 PolarHBondContact O-N 2.81Å; Y381-F384 VanDerWaalsContact O-N 3.15Å; F384-Q387 PolarHBondContact O-N 3.35Å; F384-I388 VanDerWaalsContact O-CG1 3.25Å; F384-I388 WeakPolarHBondContact O-CG1 3.29Å; F384-I388 PolarHBondContact O-N 3.28Å; F384-F417 AromaticContact CD1-CD2 3.73Å; F384-F417 HydrophobicContact CD1-CD2 3.73Å; F384-F417 HydrophobicContact CD1-CE2 4.39Å; F384-F417 HydrophobicContact CD2-CD2 4.29Å; F384-F417 HydrophobicContact CD2-CE2 4.25Å; F384-F417 HydrophobicContact CE1-CB 3.94Å; F384-F417 AromaticContact CE1-CD2 3.5Å; F384-F417 HydrophobicContact CE1-CD2 3.5Å; F384-F417 VanDerWaalsContact CE1-CD2 3.5Å; F384-F417 HydrophobicContact CE1-CE2 4.36Å; F384-F417 HydrophobicContact CE1-CG 4.07Å; F384-F417 HydrophobicContact CE2-CD2 4.05Å; F384-F417 HydrophobicContact CE2-CE2 4.17Å; F384-F417 HydrophobicContact CG-CD2 4.13Å; F384-F417 HydrophobicContact CG-CE2 4.34Å; F384-F417 HydrophobicContact CZ-CB 4.26Å; F384-F417 AromaticContact CZ-CD2 3.63Å; F384-F417 HydrophobicContact CZ-CD2 3.63Å; F384-F417 HydrophobicContact CZ-CE2 4.21Å; F384-F417 HydrophobicContact CZ-CG 4.12Å; F384-L420 HydrophobicContact CE2-CB 4.34Å; F384-L420 HydrophobicContact CZ-CB 3.73Å; F384-L420 HydrophobicContact CZ-CD1 4.42Å; F384-M421 HydrophobicContact CD2-SD 4.35Å; F384-M421 HydrophobicContact CE2-CB 3.92Å; F384-M421 HydrophobicContact CE2-CG 4.48Å; F384-M421 HydrophobicContact CE2-SD 3.88Å; F384-M421 HydrophobicContact CZ-CB 4.09Å
385M93.9Very high90.4Very high119 Ų11941.8 Ų41.859%0.58622%0.218SC*.Hα-helixtrans-57.2-52.2171.2-70.8-63.4-71.200111.1Y381 S382 Y383 Q387 I388 F389Y381-M385 WeakPolarHBondContact O-CG 3.38Å; Y381-M385 PolarHBondContact O-N 2.97Å; S382-M385 WeakPolarHBondContact O-CB 3.39Å; S382-M385 PolarHBondContact O-N 3.35Å; Y383-M385 VanDerWaalsContact C-N 3.3Å; Y383-M385 PolarHBondContact O-N 2.82Å; M385-Q387 VanDerWaalsContact C-N 3.31Å; M385-Q387 PolarHBondContact O-N 2.89Å; M385-I388 PolarHBondContact O-N 3.31Å; M385-F389 WeakPolarHBondContact O-CD2 3.41Å
386C94Very high88.5Confident19 Ų1945.8 Ų45.813%0.12823%0.231CC..Hα-helixtrans-62.4-39.9175.8-63.60000111.8C70 K74 S382 Y383 I388 F389 A390C70-C386 HydrophobicContact CB-CB 4.18Å; C70-C386 WeakPolarHBondContact CB-O 3.46Å; K74-C386 HydrophobicContact CB-CB 4.09Å; S382-C386 PolarHBondContact O-N 3.42Å; S382-C386 PolarHBondContact O-SG 3.29Å; S382-C386 VanDerWaalsContact O-SG 3.41Å; Y383-C386 PolarHBondContact O-N 3.31Å; C386-I388 VanDerWaalsContact C-N 3.33Å; C386-I388 PolarHBondContact O-N 3.48Å; C386-F389 PolarHBondContact O-N 3.47Å; C386-A390 VanDerWaalsContact O-CB 3.3Å; C386-A390 WeakPolarHBondContact O-CB 3.46Å; C386-A390 PolarHBondContact O-N 2.91Å
387Q93.3Very high86.4Confident11 Ų1157.1 Ų57.15%0.05127%0.274CS..Hα-helixtrans-64.1-35.7-177.9176.662.1-7.400112.6K74 Y383 F384 M385 F389 A390 C391 S413K74-Q387 HydrophobicContact CD-CB 4.44Å; Y383-Q387 HydrophobicContact CD1-CB 4.45Å; Y383-Q387 HydrophobicContact CE1-CB 4.42Å; Y383-Q387 WeakPolarHBondContact O-CB 3.46Å; Y383-Q387 PolarHBondContact O-N 2.96Å; F384-Q387 PolarHBondContact O-N 3.35Å; M385-Q387 VanDerWaalsContact C-N 3.31Å; M385-Q387 PolarHBondContact O-N 2.89Å; Q387-F389 VanDerWaalsContact C-N 3.32Å; Q387-F389 PolarHBondContact O-N 2.97Å; Q387-A390 PolarHBondContact O-N 2.93Å; Q387-C391 PolarHBondContact NE2-SG 2.93Å; Q387-C391 WeakPolarHBondContact O-CB 3.37Å; Q387-C391 PolarHBondContact O-N 3.25Å; Q387-C391 PolarHBondContact O-SG 3.42Å; Q387-S413 PolarHBondContact NE2-OG 3.48Å
388I93Very high84.1Confident14 Ų1457.6 Ų57.67%0.07228%0.277CS..Hα-helixtrans-61.9-42.6177.3-69.8164.7000110.4Y40 A43 L47 F384 M385 C386 Q392Y40-I388 HydrophobicContact CD2-CD1 3.8Å; Y40-I388 HydrophobicContact CD2-CG1 3.64Å; Y40-I388 HydrophobicContact CE2-CD1 3.97Å; Y40-I388 HydrophobicContact CE2-CG1 3.29Å; A43-I388 HydrophobicContact CB-CD1 4.1Å; L47-I388 HydrophobicContact CD1-CG2 3.42Å; L47-I388 VanDerWaalsContact CD1-CG2 3.42Å; F384-I388 VanDerWaalsContact O-CG1 3.25Å; F384-I388 WeakPolarHBondContact O-CG1 3.29Å; F384-I388 PolarHBondContact O-N 3.28Å; M385-I388 PolarHBondContact O-N 3.31Å; C386-I388 VanDerWaalsContact C-N 3.33Å; C386-I388 PolarHBondContact O-N 3.48Å; I388-Q392 WeakPolarHBondContact O-CG 3.26Å; I388-Q392 PolarHBondContact O-NE2 3.03Å
389F92.7Very high82.1Confident49 Ų4961.7 Ų61.722%0.21529%0.294CS..Hα-helixtrans-70.8-46.5174.1-71.8-82.8000111.4L47 F63 I66 V67 C70 M385 C386 Q387 C391 Q392L47-F389 HydrophobicContact CD1-CD1 4.31Å; L47-F389 HydrophobicContact CD1-CE1 3.97Å; L47-F389 HydrophobicContact CD1-CE2 4.32Å; L47-F389 HydrophobicContact CD1-CZ 3.96Å; L47-F389 HydrophobicContact CD2-CE1 3.84Å; L47-F389 HydrophobicContact CD2-CZ 4.12Å; F63-F389 HydrophobicContact CE2-CD1 4.07Å; F63-F389 HydrophobicContact CE2-CE1 4.07Å; F63-F389 HydrophobicContact CZ-CD1 4.43Å; I66-F389 HydrophobicContact CG2-CD1 3.99Å; I66-F389 HydrophobicContact CG2-CE1 4.28Å; I66-F389 HydrophobicContact CG2-CG 4.4Å; V67-F389 WeakPolarHBondContact CG1-O 3.41Å; V67-F389 WeakPolarHBondContact CG2-O 3.33Å; C70-F389 HydrophobicContact CB-CB 3.77Å; M385-F389 WeakPolarHBondContact O-CD2 3.41Å; C386-F389 PolarHBondContact O-N 3.47Å; Q387-F389 VanDerWaalsContact C-N 3.32Å; Q387-F389 PolarHBondContact O-N 2.97Å; F389-C391 PolarHBondContact O-N 3.03Å; F389-C391 VanDerWaalsContact O-N 3.1Å; F389-Q392 VanDerWaalsContact O-CB 3.3Å; F389-Q392 WeakPolarHBondContact O-CB 3.35Å; F389-Q392 WeakPolarHBondContact O-CG 3.36Å; F389-Q392 PolarHBondContact O-N 3.21Å
390A89.8Confident80Confident21 Ų2166.9 Ų66.917%0.17432%0.319CS..Hα-helixtrans-60.5-25.2-177.600000113.9C70 V71 C386 Q387C70-A390 HydrophobicContact CB-CB 4.47Å; V71-A390 HydrophobicContact CB-CB 4.37Å; V71-A390 HydrophobicContact CG2-CB 3.62Å; C386-A390 VanDerWaalsContact O-CB 3.3Å; C386-A390 WeakPolarHBondContact O-CB 3.46Å; C386-A390 PolarHBondContact O-N 2.91Å; Q387-A390 PolarHBondContact O-N 2.93Å
391C88.2Confident77.8Confident28 Ų2869.7 Ų69.719%0.18935%0.348CS..THydrogen-bonded Turntrans-92.33.1177.4-67.10000114.2Y44 Q387 F389 F393 S413Y44-C391 HydrophobicContact CE2-CB 4.16Å; Y44-C391 WeakPolarHBondContact CE2-O 3.45Å; Y44-C391 PolarHBondContact OH-O 3.14Å; Q387-C391 PolarHBondContact NE2-SG 2.93Å; Q387-C391 WeakPolarHBondContact O-CB 3.37Å; Q387-C391 PolarHBondContact O-N 3.25Å; Q387-C391 PolarHBondContact O-SG 3.42Å; F389-C391 PolarHBondContact O-N 3.03Å; F389-C391 VanDerWaalsContact O-N 3.1Å; C391-F393 PolarHBondContact O-N 3.18Å; C391-S413 PolarHBondContact SG-OG 3.05Å; C391-S413 VanDerWaalsContact SG-OG 3.38Å
392Q87.7Confident75.5Confident10 Ų1070.9 Ų70.95%0.04736%0.357CS..  trans-67127.8176.4-62.7-61.9-35.800109.2Y44 N48 F63 V67 I388 F389 V394Y44-Q392 VanDerWaalsContact CD2-NE2 3.3Å; Y44-Q392 PolarHBondContact O-NE2 3.33Å; N48-Q392 VanDerWaalsContact CA-OE1 3.25Å; F63-Q392 HydrophobicContact CE1-CB 3.98Å; F63-Q392 HydrophobicContact CE1-CG 4.11Å; F63-Q392 HydrophobicContact CZ-CB 4.21Å; F63-Q392 HydrophobicContact CZ-CG 3.81Å; V67-Q392 HydrophobicContact CG2-CB 4.13Å; I388-Q392 WeakPolarHBondContact O-CG 3.26Å; I388-Q392 PolarHBondContact O-NE2 3.03Å; F389-Q392 VanDerWaalsContact O-CB 3.3Å; F389-Q392 WeakPolarHBondContact O-CB 3.35Å; F389-Q392 WeakPolarHBondContact O-CG 3.36Å; F389-Q392 PolarHBondContact O-N 3.21Å; Q392-V394 VanDerWaalsContact C-N 3.26Å; Q392-V394 HydrophobicContact CB-CG2 4.36Å; Q392-V394 PolarHBondContact O-N 3.35Å
393F74.9Confident73.4Confident65 Ų6575.3 Ų75.329%0.28537%0.372SS..  trans-74.588.2170.4-64.5-79.5000108.1Y44 C391 L407Y44-F393 WeakPolarHBondContact OH-CD2 3.4Å; Y44-F393 WeakPolarHBondContact OH-CE2 3.41Å; C391-F393 PolarHBondContact O-N 3.18Å; F393-L407 VanDerWaalsContact CD2-O 3.28Å; F393-L407 WeakPolarHBondContact CD2-O 3.38Å; F393-L407 HydrophobicContact CE1-CB 4.17Å; F393-L407 HydrophobicContact CE2-CB 4.22Å; F393-L407 WeakPolarHBondContact CE2-O 3.11Å; F393-L407 HydrophobicContact CZ-CB 3.71Å; F393-L407 WeakPolarHBondContact CZ-O 3.24Å
394V70.9Confident71.1Confident26 Ų2679.6 Ų79.616%0.15840%0.397CS..  trans-76.2132.4173.3179.10000107.8Y51 F63 E64 V67 Q392 H396Y51-V394 HydrophobicContact CE2-CG1 4.31Å; Y51-V394 WeakPolarHBondContact OH-CG1 3.24Å; F63-V394 HydrophobicContact CD1-CG2 4.38Å; F63-V394 HydrophobicContact CE1-CG2 4.3Å; E64-V394 HydrophobicContact CB-CG1 3.77Å; E64-V394 HydrophobicContact CG-CG1 3.35Å; E64-V394 WeakPolarHBondContact OE1-CG1 3.26Å; V67-V394 HydrophobicContact CB-CG2 4.09Å; V67-V394 HydrophobicContact CG1-CG2 3.96Å; V67-V394 HydrophobicContact CG2-CG2 3.82Å; Q392-V394 VanDerWaalsContact C-N 3.26Å; Q392-V394 HydrophobicContact CB-CG2 4.36Å; Q392-V394 PolarHBondContact O-N 3.35Å; V394-H396 PolarHBondContact O-N 3.05Å
395Q63Low69.1Low81 Ų8186 Ų8638%0.37944%0.436SS..  trans-70.594.9-179.7-179.6137.35.500109.2Y51 R397 H403Y51-Q395 HydrophobicContact CE1-CB 4.46Å; Y51-Q395 PolarHBondContact OH-N 3.38Å; Q395-R397 PolarHBondContact O-N 3.02Å; Q395-H403 PolarHBondContact NE2-CE1 3.38Å; Q395-H403 PolarHBondContact NE2-ND1 2.82Å
396H54.1Low67.4Low157 Ų15782.6 Ų82.673%0.72742%0.42SS*.  trans-58.2113.9168.6-106.364.5000107.9V394 N398V394-H396 PolarHBondContact O-N 3.05Å; H396-N398 PolarHBondContact O-N 3.11Å
397R53Low65.6Low238 Ų23886.6 Ų86.690%0.89844%0.44SS*.  trans-69.977.2173.4-151172.686.2111.91.7107.6Q395 Q399Q395-R397 PolarHBondContact O-N 3.02Å; R397-Q399 PolarHBondContact O-N 2.8Å
398N48.9Very low64.4Low64 Ų6493.2 Ų93.234%0.34247%0.466SS..  trans-58.4135.7173.9-169.6-4.7000107.4H396 N400 G401H396-N398 PolarHBondContact O-N 3.11Å; N398-N400 PolarHBondContact O-N 3.35Å; N398-G401 PolarHBondContact O-N 3.04Å
399Q52.6Low63.6Low192 Ų19295.7 Ų95.790%0.89748%0.481SS*.THydrogen-bonded Turntrans-55.9-22.9-178.6-60.1-178.77.100111.8R397R397-Q399 PolarHBondContact O-N 2.8Å
400N52.5Low63.1Low124 Ų12494 Ų9466%0.66348%0.475SS*.THydrogen-bonded Turntrans-94.29.8179.8-62.3-9.3000114.5N398 Q402N398-N400 PolarHBondContact O-N 3.35Å; N400-Q402 PolarHBondContact O-N 3.23Å
401G50.5Low62.9Low59 Ų5996.9 Ų96.961%0.60849%0.487SS*.  trans65.19.1177.600000115.1N398 H403N398-G401 PolarHBondContact O-N 3.04Å; G401-H403 PolarHBondContact O-N 3.34Å
402Q46.6Very low62.8Low124 Ų124104 Ų10458%0.57952%0.515SS*.  trans-77.9114.9179.6-74.7-179-33.800110.3N400 N404N400-Q402 PolarHBondContact O-N 3.23Å; Q402-N404 PolarHBondContact O-N 3.19Å
403H50.4Low62.9Low144 Ų144103.8 Ų103.867%0.66752%0.515SS*.  trans-65.9113.1167.1-66.7-106.8000108.4Q395 G401Q395-H403 PolarHBondContact NE2-CE1 3.38Å; Q395-H403 PolarHBondContact NE2-ND1 2.82Å; G401-H403 PolarHBondContact O-N 3.34Å
404N48.8Very low63.6Low119 Ų119102.3 Ų102.364%0.63651%0.509SS*.  trans-68.9147.1169.3-82.8-20000109.7Q402 D406Q402-N404 PolarHBondContact O-N 3.19Å; N404-D406 PolarHBondContact O-N 3.39Å
405V52Low64.6Low142 Ų142106 Ų10686%0.86152%0.523SS*.  trans-60.3108.3-178.81790000109.6L407V405-L407 PolarHBondContact O-N 2.92Å
406D58.2Low66Low47 Ų47103.7 Ų103.725%0.25152%0.516SS..  trans-73.5110.2177.6-82.8-13.2000110.3R52 N404 Y408R52-D406 IonicContact CZ-OD2 2.95Å; R52-D406 IonicContact NE-OD2 3.37Å; R52-D406 IonicContact NH2-OD2 2.88Å; R52-D406 PolarHBondContact NH2-OD2 3.37Å; N404-D406 PolarHBondContact O-N 3.39Å; D406-Y408 VanDerWaalsContact O-CD2 3.31Å; D406-Y408 WeakPolarHBondContact O-CD2 3.46Å; D406-Y408 PolarHBondContact O-N 3.28Å
407L56.2Low67.9Low103 Ų10396.5 Ų96.554%0.53948%0.483SS..  trans-68.297.4165.2-94.9145.4000108.5F393 V405 V409F393-L407 VanDerWaalsContact CD2-O 3.28Å; F393-L407 WeakPolarHBondContact CD2-O 3.38Å; F393-L407 HydrophobicContact CE1-CB 4.17Å; F393-L407 HydrophobicContact CE2-CB 4.22Å; F393-L407 WeakPolarHBondContact CE2-O 3.11Å; F393-L407 HydrophobicContact CZ-CB 3.71Å; F393-L407 WeakPolarHBondContact CZ-O 3.24Å; V405-L407 PolarHBondContact O-N 2.92Å; L407-V409 PolarHBondContact O-N 2.92Å
408Y67.9Low69.9Low151 Ų15186.1 Ų86.159%0.59245%0.445SS*.SBendtrans-57.5-24.4179.8-72-88.4000113.9Y45 R52 D406Y45-Y408 WeakPolarHBondContact CE1-O 3.19Å; Y45-Y408 PolarHBondContact OH-O 3.5Å; R52-Y408 VanDerWaalsContact NH1-CD1 3.25Å; D406-Y408 VanDerWaalsContact O-CD2 3.31Å; D406-Y408 WeakPolarHBondContact O-CD2 3.46Å; D406-Y408 PolarHBondContact O-N 3.28Å
409V76.6Confident72Confident66 Ų6689.9 Ų89.940%0.446%0.459SS..SBendtrans-113.9120.4-178.2-1730000110.3L407 I411 I414L407-V409 PolarHBondContact O-N 2.92Å; V409-I411 VanDerWaalsContact C-N 3.28Å; V409-I411 HydrophobicContact CB-CG1 4.36Å; V409-I411 HydrophobicContact CG1-CG1 4.02Å; V409-I411 PolarHBondContact O-N 3.04Å; V409-I414 HydrophobicContact CG1-CD1 4.14Å
410P82.9Confident74Confident12 Ų1281.4 Ų81.48%0.07842%0.419CS..  trans-81.868.1-178.535.3-38.2000111.8Y44 F412 S413 I414Y44-P410 HydrophobicContact CD1-CG 3.85Å; Y44-P410 HydrophobicContact CD2-CG 4.08Å; Y44-P410 HydrophobicContact CE1-CB 4.37Å; Y44-P410 HydrophobicContact CE1-CG 3.62Å; Y44-P410 HydrophobicContact CE2-CB 4.02Å; Y44-P410 HydrophobicContact CE2-CG 3.85Å; Y44-P410 HydrophobicContact CG-CG 4.08Å; P410-F412 PolarHBondContact O-N 3.35Å; P410-S413 WeakPolarHBondContact O-CB 3.44Å; P410-S413 PolarHBondContact O-N 3.44Å; P410-S413 VanDerWaalsContact O-N 3.09Å; P410-I414 WeakPolarHBondContact O-CG1 3.43Å; P410-I414 PolarHBondContact O-N 3.36Å
411I85.8Confident76.1Confident83 Ų8375.5 Ų75.543%0.42639%0.388SS..Hα-helixtrans-54.6-49.1-171.8-62.7170.7000112.6V409 S413 I414 F415V409-I411 VanDerWaalsContact C-N 3.28Å; V409-I411 HydrophobicContact CB-CG1 4.36Å; V409-I411 HydrophobicContact CG1-CG1 4.02Å; V409-I411 PolarHBondContact O-N 3.04Å; I411-S413 VanDerWaalsContact C-N 3.29Å; I411-S413 PolarHBondContact O-N 3.17Å; I411-I414 WeakPolarHBondContact O-CB 3.45Å; I411-I414 PolarHBondContact O-N 3.44Å; I411-F415 HydrophobicContact CG2-CD2 3.89Å; I411-F415 HydrophobicContact CG2-CE2 3.52Å; I411-F415 WeakPolarHBondContact O-CD2 3.47Å; I411-F415 PolarHBondContact O-N 2.95Å
412F85.7Confident78.2Confident176 Ų17672.8 Ų72.877%0.77236%0.359SS*.Hα-helixtrans-66.5-32.1-179.5-66.4-67000113P410 I414 F415 S416P410-F412 PolarHBondContact O-N 3.35Å; F412-I414 VanDerWaalsContact C-N 3.33Å; F412-F415 PolarHBondContact O-N 3.42Å; F412-S416 WeakPolarHBondContact O-CB 3.3Å; F412-S416 PolarHBondContact O-N 2.97Å
413S88.4Confident80.5Confident7 Ų771.8 Ų71.85%0.04935%0.35CS..Hα-helixtrans-69-36.7174.9-157.90000111.3Y40 Q387 C391 P410 I411 S416 F417Y40-S413 PolarHBondContact OH-OG 3.03Å; Q387-S413 PolarHBondContact NE2-OG 3.48Å; C391-S413 PolarHBondContact SG-OG 3.05Å; C391-S413 VanDerWaalsContact SG-OG 3.38Å; P410-S413 WeakPolarHBondContact O-CB 3.44Å; P410-S413 PolarHBondContact O-N 3.44Å; P410-S413 VanDerWaalsContact O-N 3.09Å; I411-S413 VanDerWaalsContact C-N 3.29Å; I411-S413 PolarHBondContact O-N 3.17Å; S413-S416 PolarHBondContact O-N 3.3Å; S413-F417 VanDerWaalsContact O-CB 3.3Å; S413-F417 WeakPolarHBondContact O-CB 3.46Å; S413-F417 PolarHBondContact O-N 3.36Å
414I91.6Very high82.7Confident34 Ų3464.9 Ų64.917%0.17432%0.319CS..Hα-helixtrans-62.1-44172.8-66.4165.8000110.5L37 I41 V409 P410 I411 F412 F417 L418L37-I414 HydrophobicContact CD1-CG2 4.07Å; I41-I414 HydrophobicContact CD1-CD1 4.33Å; V409-I414 HydrophobicContact CG1-CD1 4.14Å; P410-I414 WeakPolarHBondContact O-CG1 3.43Å; P410-I414 PolarHBondContact O-N 3.36Å; I411-I414 WeakPolarHBondContact O-CB 3.45Å; I411-I414 PolarHBondContact O-N 3.44Å; F412-I414 VanDerWaalsContact C-N 3.33Å; I414-F417 WeakPolarHBondContact O-CB 3.44Å; I414-F417 PolarHBondContact O-N 3Å; I414-L418 HydrophobicContact CG2-CD1 4.24Å; I414-L418 HydrophobicContact CG2-CG 4.46Å; I414-L418 WeakPolarHBondContact O-CG 3.5Å; I414-L418 PolarHBondContact O-N 3.06Å
415F91.6Very high85Confident103 Ų10361.4 Ų61.445%0.45230%0.298SS..Hα-helixtrans-62.3-47174.5-75.5-60.8000112.4I411 F412 F417 L418 F419I411-F415 HydrophobicContact CG2-CD2 3.89Å; I411-F415 HydrophobicContact CG2-CE2 3.52Å; I411-F415 WeakPolarHBondContact O-CD2 3.47Å; I411-F415 PolarHBondContact O-N 2.95Å; F412-F415 PolarHBondContact O-N 3.42Å; F415-F417 PolarHBondContact O-N 3.28Å; F415-L418 PolarHBondContact O-N 2.88Å; F415-F419 HydrophobicContact CB-CE2 4.17Å; F415-F419 WeakPolarHBondContact O-CD2 3.11Å; F415-F419 WeakPolarHBondContact O-CG 3.41Å; F415-F419 PolarHBondContact O-N 3.32Å
416S90.9Very high86.9Confident32 Ų3257.3 Ų57.322%0.22427%0.273CS..Hα-helixtrans-58.5-37.2175.7-171.40000111.8F412 S413 L420F412-S416 WeakPolarHBondContact O-CB 3.3Å; F412-S416 PolarHBondContact O-N 2.97Å; S413-S416 PolarHBondContact O-N 3.3Å; S416-L420 PolarHBondContact O-N 3.45Å; S416-L420 VanDerWaalsContact O-N 3.11Å
417F94.9Very high88.6Confident6 Ų655 Ų553%0.02626%0.261CS..Hα-helixtrans-63.8-52.4174.3-179.6-83.6000111.4D36 L37 Y40 F384 S413 I414 F415 F419 L420 M421D36-F417 VanDerWaalsContact C-CZ 3.5Å; D36-F417 HydrophobicContact CB-CE1 4.39Å; D36-F417 HydrophobicContact CB-CZ 3.76Å; L37-F417 HydrophobicContact CB-CD1 4.3Å; L37-F417 HydrophobicContact CB-CE1 3.77Å; L37-F417 HydrophobicContact CD1-CD1 3.65Å; L37-F417 HydrophobicContact CD1-CE1 3.98Å; L37-F417 HydrophobicContact CD1-CG 4.33Å; L37-F417 HydrophobicContact CG-CE1 4.5Å; Y40-F417 HydrophobicContact CD1-CD2 4.04Å; Y40-F417 HydrophobicContact CD1-CG 4.32Å; Y40-F417 AromaticContact CD2-CD2 3.5Å; Y40-F417 HydrophobicContact CD2-CD2 3.5Å; Y40-F417 VanDerWaalsContact CD2-CD2 3.5Å; Y40-F417 AromaticContact CD2-CE2 3.72Å; Y40-F417 HydrophobicContact CD2-CE2 3.72Å; Y40-F417 HydrophobicContact CD2-CG 4.5Å; Y40-F417 HydrophobicContact CE1-CD2 4.49Å; Y40-F417 AromaticContact CE2-CD2 3.98Å; Y40-F417 HydrophobicContact CE2-CD2 3.98Å; Y40-F417 AromaticContact CG-CD2 3.55Å; Y40-F417 HydrophobicContact CG-CD2 3.55Å; Y40-F417 AromaticContact CG-CE2 3.71Å; Y40-F417 HydrophobicContact CG-CE2 3.71Å; Y40-F417 HydrophobicContact CG-CG 4.25Å; F384-F417 AromaticContact CD1-CD2 3.73Å; F384-F417 HydrophobicContact CD1-CD2 3.73Å; F384-F417 HydrophobicContact CD1-CE2 4.39Å; F384-F417 HydrophobicContact CD2-CD2 4.29Å; F384-F417 HydrophobicContact CD2-CE2 4.25Å; F384-F417 HydrophobicContact CE1-CB 3.94Å; F384-F417 AromaticContact CE1-CD2 3.5Å; F384-F417 HydrophobicContact CE1-CD2 3.5Å; F384-F417 VanDerWaalsContact CE1-CD2 3.5Å; F384-F417 HydrophobicContact CE1-CE2 4.36Å; F384-F417 HydrophobicContact CE1-CG 4.07Å; F384-F417 HydrophobicContact CE2-CD2 4.05Å; F384-F417 HydrophobicContact CE2-CE2 4.17Å; F384-F417 HydrophobicContact CG-CD2 4.13Å; F384-F417 HydrophobicContact CG-CE2 4.34Å; F384-F417 HydrophobicContact CZ-CB 4.26Å; F384-F417 AromaticContact CZ-CD2 3.63Å; F384-F417 HydrophobicContact CZ-CD2 3.63Å; F384-F417 HydrophobicContact CZ-CE2 4.21Å; F384-F417 HydrophobicContact CZ-CG 4.12Å; S413-F417 VanDerWaalsContact O-CB 3.3Å; S413-F417 WeakPolarHBondContact O-CB 3.46Å; S413-F417 PolarHBondContact O-N 3.36Å; I414-F417 WeakPolarHBondContact O-CB 3.44Å; I414-F417 PolarHBondContact O-N 3Å; F415-F417 PolarHBondContact O-N 3.28Å; F417-F419 VanDerWaalsContact C-N 3.26Å; F417-F419 PolarHBondContact O-N 3.43Å; F417-L420 PolarHBondContact O-N 3.14Å; F417-M421 HydrophobicContact CD1-CB 4.09Å; F417-M421 HydrophobicContact CE1-CB 3.79Å; F417-M421 HydrophobicContact CE1-CG 3.91Å; F417-M421 HydrophobicContact CE2-CB 4.25Å; F417-M421 HydrophobicContact CE2-CG 4.27Å; F417-M421 HydrophobicContact CG-CB 4.43Å; F417-M421 HydrophobicContact CZ-CB 3.89Å; F417-M421 HydrophobicContact CZ-CG 3.68Å; F417-M421 HydrophobicContact CZ-SD 4.47Å; F417-M421 WeakPolarHBondContact O-CA 3.44Å; F417-M421 WeakPolarHBondContact O-CB 3.26Å; F417-M421 PolarHBondContact O-N 3.1Å
418L94.6Very high90.4Very high21 Ų2152.2 Ų52.211%0.1125%0.246CC..Hα-helixtrans-57-40.6179.1-71.3174.9000111.8Y30 V33 L37 I414 F415 G422Y30-L418 HydrophobicContact CE1-CD1 4.48Å; V33-L418 HydrophobicContact CG2-CD2 3.61Å; L37-L418 HydrophobicContact CD2-CD2 4.19Å; I414-L418 HydrophobicContact CG2-CD1 4.24Å; I414-L418 HydrophobicContact CG2-CG 4.46Å; I414-L418 WeakPolarHBondContact O-CG 3.5Å; I414-L418 PolarHBondContact O-N 3.06Å; F415-L418 PolarHBondContact O-N 2.88Å; L418-G422 WeakPolarHBondContact O-CA 3.21Å; L418-G422 PolarHBondContact O-N 3Å
419F93.3Very high91.4Very high143 Ų14346 Ų4663%0.62722%0.224SC*.Hα-helixtrans-67.7-53.7178.2-62.6-39.8000112.6F415 F417 W423F415-F419 HydrophobicContact CB-CE2 4.17Å; F415-F419 WeakPolarHBondContact O-CD2 3.11Å; F415-F419 WeakPolarHBondContact O-CG 3.41Å; F415-F419 PolarHBondContact O-N 3.32Å; F417-F419 VanDerWaalsContact C-N 3.26Å; F417-F419 PolarHBondContact O-N 3.43Å; F419-W423 WeakPolarHBondContact O-CB 3.36Å; F419-W423 PolarHBondContact O-N 2.93Å
420L95.2Very high92.1Very high13 Ų1343.7 Ų43.77%0.06821%0.21CC..Hα-helixtrans-73.1-45.9-175.8-66.7174.8000112.4I79 L83 Y383 F384 S416 F417 W423 L424I79-L420 HydrophobicContact CG2-CD1 4.4Å; I79-L420 HydrophobicContact CG2-CD2 3.95Å; L83-L420 HydrophobicContact CD2-CD2 4.18Å; L83-L420 WeakPolarHBondContact CD2-O 3.44Å; Y383-L420 HydrophobicContact CD1-CD1 3.96Å; Y383-L420 HydrophobicContact CE1-CD1 3.33Å; F384-L420 HydrophobicContact CE2-CB 4.34Å; F384-L420 HydrophobicContact CZ-CB 3.73Å; F384-L420 HydrophobicContact CZ-CD1 4.42Å; S416-L420 PolarHBondContact O-N 3.45Å; S416-L420 VanDerWaalsContact O-N 3.11Å; F417-L420 PolarHBondContact O-N 3.14Å; L420-W423 PolarHBondContact O-N 3.37Å; L420-L424 PolarHBondContact O-N 2.84Å
421M96.4Very high92.4Very high1 Ų145.7 Ų45.71%0.00522%0.219CC..Hα-helixtrans-68.1-40178.6-16366-154.600111D36 V380 Y381 F384 F417 L424 K425D36-M421 HydrophobicContact CB-CE 4.41Å; D36-M421 HydrophobicContact CB-CG 4.31Å; V380-M421 HydrophobicContact CG1-SD 4.31Å; Y381-M421 HydrophobicContact CE1-CE 4.48Å; Y381-M421 HydrophobicContact CE2-CE 3.93Å; Y381-M421 WeakPolarHBondContact OH-CE 3.26Å; F384-M421 HydrophobicContact CD2-SD 4.35Å; F384-M421 HydrophobicContact CE2-CB 3.92Å; F384-M421 HydrophobicContact CE2-CG 4.48Å; F384-M421 HydrophobicContact CE2-SD 3.88Å; F384-M421 HydrophobicContact CZ-CB 4.09Å; F417-M421 HydrophobicContact CD1-CB 4.09Å; F417-M421 HydrophobicContact CE1-CB 3.79Å; F417-M421 HydrophobicContact CE1-CG 3.91Å; F417-M421 HydrophobicContact CE2-CB 4.25Å; F417-M421 HydrophobicContact CE2-CG 4.27Å; F417-M421 HydrophobicContact CG-CB 4.43Å; F417-M421 HydrophobicContact CZ-CB 3.89Å; F417-M421 HydrophobicContact CZ-CG 3.68Å; F417-M421 HydrophobicContact CZ-SD 4.47Å; F417-M421 WeakPolarHBondContact O-CA 3.44Å; F417-M421 WeakPolarHBondContact O-CB 3.26Å; F417-M421 PolarHBondContact O-N 3.1Å; M421-L424 HydrophobicContact CE-CD2 4.14Å; M421-L424 PolarHBondContact O-N 3.44Å; M421-L424 HydrophobicContact SD-CD2 4.39Å; M421-K425 HydrophobicContact CE-CD 4.15Å; M421-K425 HydrophobicContact CE-CG 3.88Å; M421-K425 HydrophobicContact CG-CG 4.41Å; M421-K425 WeakPolarHBondContact O-CB 3.49Å; M421-K425 WeakPolarHBondContact O-CG 3.32Å; M421-K425 PolarHBondContact O-N 3.36Å
422G95Very high92.5Very high1 Ų144.1 Ų44.11%0.0121%0.212CC..Hα-helixtrans-61.5-45.7174.800000112.3L418 L424 K425 V426L418-G422 WeakPolarHBondContact O-CA 3.21Å; L418-G422 PolarHBondContact O-N 3Å; G422-L424 PolarHBondContact O-N 3.02Å; G422-K425 PolarHBondContact O-N 3.22Å; G422-V426 WeakPolarHBondContact O-CB 3.04Å; G422-V426 VanDerWaalsContact O-CG2 3.25Å; G422-V426 WeakPolarHBondContact O-CG2 3.46Å; G422-V426 PolarHBondContact O-N 3.14Å
423W94.9Very high92.8Very high103 Ų10335.8 Ų35.839%0.3918%0.175SC..Hα-helixtrans-64.1-41.6178.6-162.413.5000112.3L83 V87 F419 L420 A427L83-W423 HydrophobicContact CD2-CB 3.96Å; L83-W423 HydrophobicContact CD2-CD2 4.06Å; L83-W423 HydrophobicContact CD2-CE3 3.76Å; L83-W423 HydrophobicContact CD2-CG 4.16Å; L83-W423 HydrophobicContact CG-CD2 4.13Å; L83-W423 HydrophobicContact CG-CE3 4.08Å; L83-W423 HydrophobicContact CG-CG 4.32Å; V87-W423 HydrophobicContact CG2-CD2 4.32Å; V87-W423 HydrophobicContact CG2-CG 3.96Å; F419-W423 WeakPolarHBondContact O-CB 3.36Å; F419-W423 PolarHBondContact O-N 2.93Å; L420-W423 PolarHBondContact O-N 3.37Å; W423-A427 PolarHBondContact O-N 3.07Å; W423-A427 VanDerWaalsContact O-N 3.17Å
424L96.7Very high92.9Very high0 Ų035.6 Ų35.60%017%0.173CC..Hα-helixtrans-59.6-51.2170.8175.362000111.5L83 F86 V376 I377 V380 Y381 L420 M421 G422 V426 A427 L428L83-L424 HydrophobicContact CD1-CB 4.04Å; L83-L424 HydrophobicContact CD1-CD1 4.17Å; F86-L424 HydrophobicContact CE1-CD1 4.19Å; V376-L424 HydrophobicContact CG1-CD1 3.96Å; I377-L424 HydrophobicContact CG1-CD1 4.46Å; V380-L424 HydrophobicContact CB-CD2 3.94Å; V380-L424 HydrophobicContact CG1-CD2 3.76Å; V380-L424 HydrophobicContact CG2-CD2 4.17Å; Y381-L424 HydrophobicContact CE2-CD2 4.31Å; L420-L424 PolarHBondContact O-N 2.84Å; M421-L424 HydrophobicContact CE-CD2 4.14Å; M421-L424 PolarHBondContact O-N 3.44Å; M421-L424 HydrophobicContact SD-CD2 4.39Å; G422-L424 PolarHBondContact O-N 3.02Å; L424-V426 PolarHBondContact O-N 3.24Å; L424-A427 PolarHBondContact O-N 3.47Å; L424-L428 HydrophobicContact CD1-CD1 3.98Å; L424-L428 HydrophobicContact CD1-CD2 4.44Å; L424-L428 HydrophobicContact CD1-CG 4.01Å; L424-L428 HydrophobicContact CD2-CD1 4.45Å; L424-L428 HydrophobicContact CG-CD1 3.87Å; L424-L428 HydrophobicContact CG-CG 4.29Å; L424-L428 VanDerWaalsContact O-CG 3.32Å; L424-L428 WeakPolarHBondContact O-CG 3.46Å; L424-L428 PolarHBondContact O-N 2.9Å
425K95.2Very high92.7Very high45 Ų4534.1 Ų34.120%0.19617%0.167CC..Hα-helixtrans-66.9-36.3-175.4-70.6-95.2176157.30112.6L32 V33 D36 M421 G422 L428 C429L32-K425 HydrophobicContact CD1-CB 4.42Å; L32-K425 HydrophobicContact CD2-CB 3.57Å; L32-K425 HydrophobicContact CG-CB 3.69Å; V33-K425 HydrophobicContact CG1-CB 4.27Å; V33-K425 HydrophobicContact CG1-CG 4.15Å; D36-K425 IonicContact OD1-NZ 3.02Å; D36-K425 PolarHBondContact OD1-NZ 2.76Å; D36-K425 VanDerWaalsContact OD2-CE 3.26Å; D36-K425 WeakPolarHBondContact OD2-CE 3.48Å; D36-K425 IonicContact OD2-NZ 2.89Å; D36-K425 PolarHBondContact OD2-NZ 2.82Å; M421-K425 HydrophobicContact CE-CD 4.15Å; M421-K425 HydrophobicContact CE-CG 3.88Å; M421-K425 HydrophobicContact CG-CG 4.41Å; M421-K425 WeakPolarHBondContact O-CB 3.49Å; M421-K425 WeakPolarHBondContact O-CG 3.32Å; M421-K425 PolarHBondContact O-N 3.36Å; G422-K425 PolarHBondContact O-N 3.22Å; K425-L428 PolarHBondContact O-N 2.81Å; K425-C429 PolarHBondContact O-N 2.76Å; K425-C429 PolarHBondContact O-SG 3.26Å
426V92.8Very high92.3Very high56 Ų5633.5 Ų33.534%0.33917%0.168SC..Hα-helixtrans-60.2-46.4172.3167.50000110.4L29 L32 G422 L424 L428 C429 V430L29-V426 HydrophobicContact CD1-CG2 4.13Å; L32-V426 HydrophobicContact CD2-CG2 4.24Å; G422-V426 WeakPolarHBondContact O-CB 3.04Å; G422-V426 VanDerWaalsContact O-CG2 3.25Å; G422-V426 WeakPolarHBondContact O-CG2 3.46Å; G422-V426 PolarHBondContact O-N 3.14Å; L424-V426 PolarHBondContact O-N 3.24Å; V426-L428 VanDerWaalsContact C-N 3.33Å; V426-L428 PolarHBondContact O-N 3.14Å; V426-C429 PolarHBondContact O-SG 3.48Å; V426-V430 WeakPolarHBondContact O-CG1 3.19Å; V426-V430 WeakPolarHBondContact O-CG2 3.4Å; V426-V430 PolarHBondContact O-N 3.16Å
427A94.8Very high92Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-61.4-43.7173.900000111.3F86 V87 I90 W423 L424 C429 V430 M431F86-A427 HydrophobicContact CD1-CB 4.12Å; F86-A427 HydrophobicContact CE1-CB 3.85Å; V87-A427 HydrophobicContact CB-CB 4.28Å; V87-A427 HydrophobicContact CG1-CB 4.3Å; V87-A427 HydrophobicContact CG2-CB 3.74Å; I90-A427 HydrophobicContact CB-CB 4.38Å; I90-A427 HydrophobicContact CG1-CB 4.4Å; I90-A427 HydrophobicContact CG2-CB 4.2Å; I90-A427 VanDerWaalsContact CG2-O 3.32Å; I90-A427 WeakPolarHBondContact CG2-O 3.47Å; W423-A427 PolarHBondContact O-N 3.07Å; W423-A427 VanDerWaalsContact O-N 3.17Å; L424-A427 PolarHBondContact O-N 3.47Å; A427-C429 PolarHBondContact O-N 3.1Å; A427-V430 WeakPolarHBondContact O-CG2 3.33Å; A427-V430 PolarHBondContact O-N 3.27Å; A427-M431 VanDerWaalsContact O-CG 3.29Å; A427-M431 WeakPolarHBondContact O-CG 3.42Å; A427-M431 PolarHBondContact O-N 3.3Å
428L93.2Very high91.4Very high44 Ų4439 Ų3923%0.2320%0.195CC..Hα-helixtrans-65.1-40.7-176.9-68.4175.3000113.3F86 T373 I377 L424 K425 V426 M431F86-L428 HydrophobicContact CE1-CD2 4.44Å; F86-L428 HydrophobicContact CZ-CD2 4.34Å; T373-L428 HydrophobicContact CG2-CD2 3.91Å; I377-L428 HydrophobicContact CD1-CD2 4.45Å; L424-L428 HydrophobicContact CD1-CD1 3.98Å; L424-L428 HydrophobicContact CD1-CD2 4.44Å; L424-L428 HydrophobicContact CD1-CG 4.01Å; L424-L428 HydrophobicContact CD2-CD1 4.45Å; L424-L428 HydrophobicContact CG-CD1 3.87Å; L424-L428 HydrophobicContact CG-CG 4.29Å; L424-L428 VanDerWaalsContact O-CG 3.32Å; L424-L428 WeakPolarHBondContact O-CG 3.46Å; L424-L428 PolarHBondContact O-N 2.9Å; K425-L428 PolarHBondContact O-N 2.81Å; V426-L428 VanDerWaalsContact C-N 3.33Å; V426-L428 PolarHBondContact O-N 3.14Å; L428-M431 HydrophobicContact CB-CE 4.25Å; L428-M431 HydrophobicContact CD2-CE 3.36Å; L428-M431 HydrophobicContact CD2-SD 4.19Å; L428-M431 HydrophobicContact CG-CE 4.39Å; L428-M431 WeakPolarHBondContact O-CB 3.32Å; L428-M431 PolarHBondContact O-N 2.97Å
429C89.7Confident90.9Very high20 Ų2042 Ų4214%0.13521%0.209CC..Hα-helixtrans-69.3-39.418064.90000111.9K425 V426 A427 M431 N432K425-C429 PolarHBondContact O-N 2.76Å; K425-C429 PolarHBondContact O-SG 3.26Å; V426-C429 PolarHBondContact O-SG 3.48Å; A427-C429 PolarHBondContact O-N 3.1Å; C429-M431 PolarHBondContact O-N 2.72Å; C429-N432 PolarHBondContact O-N 2.47Å
430V91.2Very high90.7Very high17 Ų1735.6 Ų35.610%0.10318%0.181CC..Hα-helixtrans-76.8-4.5-179.7-53.90000113.9I90 I91 W94 V426 A427 N432 P433I90-V430 HydrophobicContact CG2-CG2 3.57Å; I91-V430 HydrophobicContact CD1-CG2 4.02Å; W94-V430 HydrophobicContact CG-CB 4.16Å; V426-V430 WeakPolarHBondContact O-CG1 3.19Å; V426-V430 WeakPolarHBondContact O-CG2 3.4Å; V426-V430 PolarHBondContact O-N 3.16Å; A427-V430 WeakPolarHBondContact O-CG2 3.33Å; A427-V430 PolarHBondContact O-N 3.27Å; V430-N432 PolarHBondContact O-N 2.85Å; V430-P433 WeakPolarHBondContact O-CD 3.46Å
431M89Confident90.6Very high54 Ų5436 Ų3627%0.26618%0.182SC..THydrogen-bonded Turntrans-61.4-29.7171.3-68.9-165.4-58.500112.2F86 I90 T373 A427 L428 C429F86-M431 HydrophobicContact CZ-SD 4.31Å; I90-M431 HydrophobicContact CD1-CG 3.36Å; I90-M431 HydrophobicContact CD1-SD 3.46Å; I90-M431 WeakPolarHBondContact CD1-SD 3.33Å; I90-M431 HydrophobicContact CG2-CG 4.05Å; T373-M431 HydrophobicContact CG2-CE 4.43Å; A427-M431 VanDerWaalsContact O-CG 3.29Å; A427-M431 WeakPolarHBondContact O-CG 3.42Å; A427-M431 PolarHBondContact O-N 3.3Å; L428-M431 HydrophobicContact CB-CE 4.25Å; L428-M431 HydrophobicContact CD2-CE 3.36Å; L428-M431 HydrophobicContact CD2-SD 4.19Å; L428-M431 HydrophobicContact CG-CE 4.39Å; L428-M431 WeakPolarHBondContact O-CB 3.32Å; L428-M431 PolarHBondContact O-N 2.97Å; C429-M431 PolarHBondContact O-N 2.72Å
432N87.7Confident90.3Very high50 Ų5038.2 Ų38.227%0.26719%0.193SC..  trans-124.770.6-178.9-178.533.6000111.7R184 C429 V430 F434 G435R184-N432 VanDerWaalsContact CZ-CG 3.47Å; R184-N432 PolarHBondContact NE-OD1 3.28Å; R184-N432 PolarHBondContact NH1-ND2 2.95Å; R184-N432 PolarHBondContact NH1-OD1 2.96Å; R184-N432 PolarHBondContact NH2-OD1 3.44Å; C429-N432 PolarHBondContact O-N 2.47Å; V430-N432 PolarHBondContact O-N 2.85Å; N432-F434 PolarHBondContact O-N 3.19Å; N432-G435 PolarHBondContact O-N 3.39Å
433P91.4Very high90.2Very high1 Ų138.2 Ų38.21%0.00619%0.193CC..THydrogen-bonded Turntrans-731.6-172.432.8-36.8000114.3M97 V430 D440 F441M97-P433 HydrophobicContact SD-CG 3.75Å; V430-P433 WeakPolarHBondContact O-CD 3.46Å; P433-D440 WeakPolarHBondContact CA-OD1 3.3Å; P433-D440 WeakPolarHBondContact O-CB 3.36Å; P433-F441 HydrophobicContact CB-CD2 3.74Å; P433-F441 HydrophobicContact CB-CE2 3.54Å; P433-F441 HydrophobicContact CB-CG 4.36Å; P433-F441 HydrophobicContact CB-CZ 4Å; P433-F441 HydrophobicContact CG-CD2 4.17Å; P433-F441 HydrophobicContact CG-CE2 3.72Å; P433-F441 HydrophobicContact CG-CZ 4.4Å; P433-F441 PolarHBondContact O-N 2.9Å
434F91.3Very high90.1Very high3 Ų335 Ų351%0.01319%0.186CC..THydrogen-bonded Turntrans-104.610.5-179.7-67.5-78.9000112.9M97 M142 I145 S146 D147 L360 N432 F441 T443M97-F434 HydrophobicContact CB-CE2 4.31Å; M97-F434 HydrophobicContact SD-CE2 4.08Å; M142-F434 HydrophobicContact CE-CD1 3.99Å; M142-F434 HydrophobicContact CE-CE1 4Å; M142-F434 HydrophobicContact SD-CE1 4.41Å; I145-F434 HydrophobicContact CD1-CD1 4.22Å; I145-F434 HydrophobicContact CD1-CE1 4.07Å; I145-F434 HydrophobicContact CD1-CZ 4.26Å; I145-F434 HydrophobicContact CG1-CD1 4.34Å; I145-F434 WeakPolarHBondContact O-CB 3.37Å; S146-F434 VanDerWaalsContact CA-O 3.26Å; S146-F434 WeakPolarHBondContact CA-O 3.32Å; S146-F434 PolarHBondContact OG-O 3.21Å; D147-F434 PolarHBondContact N-O 2.99Å; D147-F434 VanDerWaalsContact N-O 3.07Å; L360-F434 HydrophobicContact CD1-CE2 3.97Å; L360-F434 HydrophobicContact CD1-CZ 3.57Å; L360-F434 HydrophobicContact CD2-CE1 4.33Å; L360-F434 HydrophobicContact CD2-CZ 4.02Å; L360-F434 HydrophobicContact CG-CE2 4.49Å; L360-F434 HydrophobicContact CG-CZ 4.02Å; N432-F434 PolarHBondContact O-N 3.19Å; F434-F441 HydrophobicContact CD1-CD2 4.43Å; F434-F441 AromaticContact CE1-CD2 3.96Å; F434-F441 HydrophobicContact CE1-CD2 3.96Å; F434-F441 HydrophobicContact CE2-CD2 4.37Å; F434-F441 HydrophobicContact CE2-CE2 4.4Å; F434-F441 AromaticContact CZ-CD2 3.88Å; F434-F441 HydrophobicContact CZ-CD2 3.88Å; F434-F441 HydrophobicContact CZ-CE2 4.11Å; F434-T443 HydrophobicContact CD1-CG2 3.75Å; F434-T443 HydrophobicContact CE1-CG2 4.21Å
435G87Confident90Very high3 Ų339.2 Ų39.23%0.03120%0.204CC..SBendtrans-74.1-150.1176.500000114.1Q148 N432 D440Q148-G435 WeakPolarHBondContact CG-O 3.32Å; Q148-G435 PolarHBondContact NE2-O 2.8Å; N432-G435 PolarHBondContact O-N 3.39Å; G435-D440 WeakPolarHBondContact CA-OD2 3.28Å; G435-D440 PolarHBondContact N-OD2 2.89Å
436D83.8Confident90Very high91 Ų9138.1 Ų38.149%0.48720%0.2SC..SBendtrans-124.213.7-176.8-171.444000111.5K179 D440K179-D436 IonicContact NZ-OD2 3.13Å; K179-D436 PolarHBondContact NZ-OD2 3.47Å; D436-D440 PolarHBondContact N-OD2 3.23Å
437D83.4Confident90.1Very high108 Ų10835.5 Ų35.558%0.57818%0.184SC*.SBendtrans-80.4164.3178.2-69.8-33.5000111.5E439 D440D437-E439 PolarHBondContact O-N 3.2Å; D437-D440 WeakPolarHBondContact CB-OD2 3.31Å; D437-D440 PolarHBondContact N-OD2 3.09Å; D437-D440 PolarHBondContact O-N 2.83Å
438D82.3Confident90.2Very high44 Ų4437.8 Ų37.824%0.23520%0.196CC..THydrogen-bonded Turntrans-64.1-25.2-177.1-77.7-34.3000113.4K26 K31K26-D438 WeakPolarHBondContact CE-OD1 3.4Å; K26-D438 IonicContact NZ-OD1 2.72Å; K31-D438 IonicContact NZ-OD2 3.94Å; K31-D438 PolarHBondContact NZ-OD2 3.44Å
439E83.8Confident90.4Very high86 Ų8640.5 Ų40.540%0.40220%0.204SC..THydrogen-bonded Turntrans-90.5-9.5-177.9-50.5-53.8157.300113.3G27 D437G27-E439 WeakPolarHBondContact CA-OE1 3.42Å; D437-E439 PolarHBondContact O-N 3.2Å
440D90.3Very high90.8Very high7 Ų739.6 Ų39.64%0.03720%0.198CC..SBendtrans-73.9158.9-175.6-69.6-25.6000111.9P433 G435 D436 D437 Q442P433-D440 WeakPolarHBondContact CA-OD1 3.3Å; P433-D440 WeakPolarHBondContact O-CB 3.36Å; G435-D440 WeakPolarHBondContact CA-OD2 3.28Å; G435-D440 PolarHBondContact N-OD2 2.89Å; D436-D440 PolarHBondContact N-OD2 3.23Å; D437-D440 WeakPolarHBondContact CB-OD2 3.31Å; D437-D440 PolarHBondContact N-OD2 3.09Å; D437-D440 PolarHBondContact O-N 2.83Å; D440-Q442 PolarHBondContact O-N 2.77Å
441F92.2Very high91.1Very high22 Ų2238.8 Ų38.810%0.09619%0.193CC..  trans-59.4139.8175.1-63.2-41.6000110.6W94 M97 Y98 I101 Q148 P433 F434 T443 I446W94-F441 HydrophobicContact CD2-CZ 4.4Å; W94-F441 AromaticContact CE2-CE1 3.72Å; W94-F441 AromaticContact CE2-CZ 3.71Å; W94-F441 HydrophobicContact CH2-CE1 4.3Å; W94-F441 AromaticContact CZ2-CE1 3.47Å; W94-F441 HydrophobicContact CZ2-CE1 3.47Å; W94-F441 VanDerWaalsContact CZ2-CE1 3.47Å; W94-F441 AromaticContact CZ2-CZ 3.92Å; W94-F441 HydrophobicContact CZ2-CZ 3.92Å; W94-F441 AromaticContact NE1-CE1 3.81Å; W94-F441 AromaticContact NE1-CZ 3.61Å; M97-F441 HydrophobicContact CB-CE2 4.48Å; Y98-F441 HydrophobicContact CD2-CE1 4.24Å; I101-F441 HydrophobicContact CD1-CD2 3.87Å; I101-F441 HydrophobicContact CD1-CE2 4.05Å; I101-F441 HydrophobicContact CD1-CG 4.21Å; Q148-F441 PolarHBondContact NE2-O 3.16Å; P433-F441 HydrophobicContact CB-CD2 3.74Å; P433-F441 HydrophobicContact CB-CE2 3.54Å; P433-F441 HydrophobicContact CB-CG 4.36Å; P433-F441 HydrophobicContact CB-CZ 4Å; P433-F441 HydrophobicContact CG-CD2 4.17Å; P433-F441 HydrophobicContact CG-CE2 3.72Å; P433-F441 HydrophobicContact CG-CZ 4.4Å; P433-F441 PolarHBondContact O-N 2.9Å; F434-F441 HydrophobicContact CD1-CD2 4.43Å; F434-F441 AromaticContact CE1-CD2 3.96Å; F434-F441 HydrophobicContact CE1-CD2 3.96Å; F434-F441 HydrophobicContact CE2-CD2 4.37Å; F434-F441 HydrophobicContact CE2-CE2 4.4Å; F434-F441 AromaticContact CZ-CD2 3.88Å; F434-F441 HydrophobicContact CZ-CD2 3.88Å; F434-F441 HydrophobicContact CZ-CE2 4.11Å; F441-T443 HydrophobicContact CB-CG2 4.08Å; F441-T443 PolarHBondContact O-N 3.23Å; F441-I446 HydrophobicContact CB-CD1 4.47Å
442Q90.6Very high91.5Very high48 Ų4838.5 Ų38.522%0.22419%0.192CC..  trans-77.464.3173.6-57.2-154-89.500111.4P2 D440 S444 K445 I446P2-Q442 VanDerWaalsContact CD-OE1 3.24Å; P2-Q442 HydrophobicContact CG-CG 3.36Å; D440-Q442 PolarHBondContact O-N 2.77Å; Q442-S444 PolarHBondContact O-N 2.85Å; Q442-K445 HydrophobicContact CB-CB 4.01Å; Q442-K445 HydrophobicContact CB-CD 4.25Å; Q442-K445 HydrophobicContact CB-CG 4.19Å; Q442-K445 VanDerWaalsContact NE2-CE 3.29Å; Q442-K445 WeakPolarHBondContact O-CB 3.33Å; Q442-K445 PolarHBondContact O-N 3.21Å; Q442-K445 VanDerWaalsContact OE1-CD 3.29Å; Q442-K445 VanDerWaalsContact OE1-CE 3.29Å; Q442-I446 WeakPolarHBondContact O-CG1 3.37Å; Q442-I446 PolarHBondContact O-N 2.89Å
443T93.5Very high91.9Very high1 Ų137.2 Ų37.21%0.00619%0.187CC..Hα-helixtrans-57-37-172.956.40000112.6M142 S146 Q148 F434 F441 K445 I446 L447M142-T443 HydrophobicContact CE-CG2 3.27Å; S146-T443 WeakPolarHBondContact OG-CB 3.39Å; S146-T443 WeakPolarHBondContact OG-CG2 3.18Å; S146-T443 PolarHBondContact OG-OG1 2.78Å; Q148-T443 WeakPolarHBondContact CB-OG1 3.48Å; F434-T443 HydrophobicContact CD1-CG2 3.75Å; F434-T443 HydrophobicContact CE1-CG2 4.21Å; F441-T443 HydrophobicContact CB-CG2 4.08Å; F441-T443 PolarHBondContact O-N 3.23Å; T443-K445 PolarHBondContact O-N 2.93Å; T443-I446 PolarHBondContact O-N 2.93Å; T443-L447 WeakPolarHBondContact O-CB 3.41Å; T443-L447 PolarHBondContact O-N 2.94Å
444S92.3Very high92.1Very high35 Ų3537.2 Ų37.225%0.24519%0.186CC..Hα-helixtrans-60.8-42.2174.7-166.10000112.7R152 Q442 L447 D448R152-S444 PolarHBondContact NH1-O 2.96Å; R152-S444 PolarHBondContact NH1-OG 3Å; Q442-S444 PolarHBondContact O-N 2.85Å; S444-L447 PolarHBondContact O-N 3.03Å; S444-D448 VanDerWaalsContact O-CG 3.22Å; S444-D448 PolarHBondContact O-N 3.35Å
445K93.8Very high92.4Very high88 Ų8840 Ų4038%0.38320%0.197SC..Hα-helixtrans-71-38.8176.2-71.3-164.2-176.9171.20113M1 Q442 T443 L447 D448 Y449M1-K445 WeakPolarHBondContact SD-CE 3.41Å; M1-K445 PolarHBondContact SD-NZ 2.77Å; Q442-K445 HydrophobicContact CB-CB 4.01Å; Q442-K445 HydrophobicContact CB-CD 4.25Å; Q442-K445 HydrophobicContact CB-CG 4.19Å; Q442-K445 VanDerWaalsContact NE2-CE 3.29Å; Q442-K445 WeakPolarHBondContact O-CB 3.33Å; Q442-K445 PolarHBondContact O-N 3.21Å; Q442-K445 VanDerWaalsContact OE1-CD 3.29Å; Q442-K445 VanDerWaalsContact OE1-CE 3.29Å; T443-K445 PolarHBondContact O-N 2.93Å; K445-L447 VanDerWaalsContact C-N 3.26Å; K445-L447 PolarHBondContact O-N 3.18Å; K445-D448 PolarHBondContact O-N 3.02Å; K445-Y449 WeakPolarHBondContact O-CB 3.28Å; K445-Y449 PolarHBondContact O-N 2.72Å
446I95.9Very high92.7Very high23 Ų2347.5 Ų47.512%0.11823%0.225CC..Hα-helixtrans-61.8-41.9176.4-65167.8000109.2I101 W103 W138 F441 Q442 T443 Y449 N450I101-I446 HydrophobicContact CD1-CD1 4.19Å; I101-I446 HydrophobicContact CG2-CD1 4.48Å; I101-I446 HydrophobicContact CG2-CG2 3.83Å; W103-I446 HydrophobicContact CH2-CG1 4.29Å; W103-I446 HydrophobicContact CH2-CG2 4.43Å; W103-I446 HydrophobicContact CZ3-CG2 4.37Å; W138-I446 HydrophobicContact CZ2-CG2 4.43Å; F441-I446 HydrophobicContact CB-CD1 4.47Å; Q442-I446 WeakPolarHBondContact O-CG1 3.37Å; Q442-I446 PolarHBondContact O-N 2.89Å; T443-I446 PolarHBondContact O-N 2.93Å; I446-Y449 PolarHBondContact O-N 2.88Å; I446-N450 WeakPolarHBondContact O-CB 3.38Å; I446-N450 PolarHBondContact O-N 3.48Å
447L95.6Very high93.2Very high0 Ų044 Ų440%021%0.207CC..Hα-helixtrans-62.1-46.9173.7179.461.8000111.7V139 I149 F153 T443 S444 K445 Y449 N450 L451V139-L447 HydrophobicContact CG2-CD1 3.58Å; V139-L447 HydrophobicContact CG2-CD2 4.13Å; V139-L447 HydrophobicContact CG2-CG 4.45Å; I149-L447 HydrophobicContact CD1-CB 4.25Å; I149-L447 HydrophobicContact CD1-CD2 3.82Å; F153-L447 HydrophobicContact CE2-CD2 3.8Å; F153-L447 HydrophobicContact CZ-CD2 4.02Å; T443-L447 WeakPolarHBondContact O-CB 3.41Å; T443-L447 PolarHBondContact O-N 2.94Å; S444-L447 PolarHBondContact O-N 3.03Å; K445-L447 VanDerWaalsContact C-N 3.26Å; K445-L447 PolarHBondContact O-N 3.18Å; L447-Y449 VanDerWaalsContact C-N 3.3Å; L447-Y449 PolarHBondContact O-N 2.85Å; L447-N450 PolarHBondContact O-N 3.32Å; L447-L451 HydrophobicContact CD1-CD1 4.31Å; L447-L451 HydrophobicContact CD1-CG 4.33Å; L447-L451 HydrophobicContact CG-CD1 4.1Å; L447-L451 WeakPolarHBondContact O-CG 3.14Å; L447-L451 PolarHBondContact O-N 3.49Å
448D96.9Very high93.7Very high48 Ų4838.9 Ų38.926%0.25718%0.18SC..Hα-helixtrans-60.6-41.4178.3-69.7-19000112.4R152 K281 S444 K445 L451 D452R152-D448 IonicContact CZ-OD1 3.21Å; R152-D448 IonicContact NH1-OD1 3.5Å; R152-D448 PolarHBondContact NH1-OD1 3.26Å; R152-D448 IonicContact NH1-OD2 3.49Å; R152-D448 IonicContact NH2-OD1 2.67Å; R152-D448 PolarHBondContact NH2-OD1 2.87Å; K281-D448 WeakPolarHBondContact CB-OD1 3.36Å; K281-D448 HydrophobicContact CD-CB 4.34Å; K281-D448 VanDerWaalsContact CE-O 3.27Å; K281-D448 WeakPolarHBondContact CE-O 3.42Å; K281-D448 HydrophobicContact CG-CB 4.1Å; K281-D448 WeakPolarHBondContact CG-OD1 3.32Å; S444-D448 VanDerWaalsContact O-CG 3.22Å; S444-D448 PolarHBondContact O-N 3.35Å; K445-D448 PolarHBondContact O-N 3.02Å; D448-L451 PolarHBondContact O-N 3.08Å; D448-D452 WeakPolarHBondContact O-CB 3.4Å; D448-D452 PolarHBondContact O-N 3.17Å
449Y97.3Very high94.1Very high102 Ų10240.4 Ų40.440%0.419%0.185SC..Hα-helixtrans-61.4-49.8175177.7-94.4000111.2W103 N105 K445 I446 L447 L451 D452 V453W103-Y449 AromaticContact CE3-CD1 3.59Å; W103-Y449 HydrophobicContact CE3-CD1 3.59Å; W103-Y449 AromaticContact CE3-CE1 3.59Å; W103-Y449 HydrophobicContact CE3-CE1 3.59Å; W103-Y449 AromaticContact CZ3-CD1 3.59Å; W103-Y449 HydrophobicContact CZ3-CD1 3.59Å; W103-Y449 AromaticContact CZ3-CE1 3.86Å; W103-Y449 HydrophobicContact CZ3-CE1 3.86Å; W103-Y449 HydrophobicContact CZ3-CG 4.29Å; N105-Y449 PolarHBondContact ND2-OH 3.36Å; N105-Y449 VanDerWaalsContact OD1-CE1 3.26Å; N105-Y449 WeakPolarHBondContact OD1-CE1 3.34Å; N105-Y449 PolarHBondContact OD1-OH 2.89Å; K445-Y449 WeakPolarHBondContact O-CB 3.28Å; K445-Y449 PolarHBondContact O-N 2.72Å; I446-Y449 PolarHBondContact O-N 2.88Å; L447-Y449 VanDerWaalsContact C-N 3.3Å; L447-Y449 PolarHBondContact O-N 2.85Å; Y449-L451 VanDerWaalsContact C-N 3.33Å; Y449-L451 PolarHBondContact O-N 2.95Å; Y449-D452 PolarHBondContact O-N 2.82Å; Y449-D452 VanDerWaalsContact O-N 3.17Å; Y449-V453 HydrophobicContact CD1-CG1 4.25Å; Y449-V453 HydrophobicContact CE1-CB 4.48Å; Y449-V453 HydrophobicContact CE1-CG1 4.02Å; Y449-V453 WeakPolarHBondContact O-CG1 3.27Å; Y449-V453 PolarHBondContact O-N 2.81Å
450N97.9Very high94.2Very high0 Ų040.4 Ų40.40%019%0.186CC..Hα-helixtrans-60.4-41.3178.9-83.8-14000111.9P102 M104 N135 W138 I446 L447 S454P102-N450 PolarHBondContact O-ND2 3.35Å; M104-N450 HydrophobicContact CB-CB 4.17Å; M104-N450 HydrophobicContact CG-CB 3.7Å; M104-N450 PolarHBondContact N-OD1 2.93Å; N135-N450 PolarHBondContact OD1-O 3Å; W138-N450 PolarHBondContact NE1-ND2 2.95Å; I446-N450 WeakPolarHBondContact O-CB 3.38Å; I446-N450 PolarHBondContact O-N 3.48Å; L447-N450 PolarHBondContact O-N 3.32Å; N450-S454 WeakPolarHBondContact O-CB 3.41Å; N450-S454 PolarHBondContact O-N 3.35Å; N450-S454 VanDerWaalsContact O-N 3.13Å; N450-S454 PolarHBondContact O-OG 2.94Å
451L97.5Very high93.9Very high0 Ų043.7 Ų43.70%020%0.203CC..Hα-helixtrans-63.4-41.4175-74.8168.8000112.3N135 K281 V282 F286 L447 D448 Y449 S454 Y455N135-L451 HydrophobicContact CB-CD2 3.84Å; K281-L451 HydrophobicContact CB-CD1 4.3Å; K281-L451 HydrophobicContact CG-CB 4.25Å; K281-L451 HydrophobicContact CG-CD1 3.92Å; V282-L451 HydrophobicContact CG2-CD1 3.95Å; V282-L451 HydrophobicContact CG2-CD2 4.44Å; F286-L451 HydrophobicContact CD2-CD2 4.16Å; F286-L451 HydrophobicContact CE2-CD2 4.17Å; L447-L451 HydrophobicContact CD1-CD1 4.31Å; L447-L451 HydrophobicContact CD1-CG 4.33Å; L447-L451 HydrophobicContact CG-CD1 4.1Å; L447-L451 WeakPolarHBondContact O-CG 3.14Å; L447-L451 PolarHBondContact O-N 3.49Å; D448-L451 PolarHBondContact O-N 3.08Å; Y449-L451 VanDerWaalsContact C-N 3.33Å; Y449-L451 PolarHBondContact O-N 2.95Å; L451-S454 PolarHBondContact O-OG 3.28Å; L451-S454 VanDerWaalsContact O-OG 3.13Å; L451-Y455 WeakPolarHBondContact O-CB 3.42Å; L451-Y455 PolarHBondContact O-N 3.02Å
452D96.5Very high93.3Very high48 Ų4846.1 Ų46.126%0.25722%0.221SC..Hα-helixtrans-67.6-56.3-179.5-164.376.5000112.1K281 D448 Y449 S454 Y455 R456K281-D452 IonicContact NZ-OD1 3.7Å; K281-D452 PolarHBondContact NZ-OD1 3.44Å; D448-D452 WeakPolarHBondContact O-CB 3.4Å; D448-D452 PolarHBondContact O-N 3.17Å; Y449-D452 PolarHBondContact O-N 2.82Å; Y449-D452 VanDerWaalsContact O-N 3.17Å; D452-S454 VanDerWaalsContact C-N 3.34Å; D452-S454 PolarHBondContact O-N 2.78Å; D452-Y455 PolarHBondContact O-N 3.43Å; D452-R456 WeakPolarHBondContact O-CB 3.49Å; D452-R456 WeakPolarHBondContact O-CG 3.4Å; D452-R456 PolarHBondContact O-N 2.92Å; D452-R456 WeakPolarHBondContact OD2-CD 3.42Å; D452-R456 IonicContact OD2-NH1 2.9Å; D452-R456 PolarHBondContact OD2-NH1 3.21Å
453V95.8Very high93Very high24 Ų2451 Ų5115%0.14525%0.249CC..Hα-helixtrans-67.7-36.6-172.971.10000111.8M104 N105 Y449 S457M104-V453 HydrophobicContact CB-CG1 4.39Å; N105-V453 WeakPolarHBondContact OD1-CG1 3.48Å; N105-V453 WeakPolarHBondContact OD1-CG2 3.41Å; Y449-V453 HydrophobicContact CD1-CG1 4.25Å; Y449-V453 HydrophobicContact CE1-CB 4.48Å; Y449-V453 HydrophobicContact CE1-CG1 4.02Å; Y449-V453 WeakPolarHBondContact O-CG1 3.27Å; Y449-V453 PolarHBondContact O-N 2.81Å; V453-S457 VanDerWaalsContact O-CB 3.24Å; V453-S457 WeakPolarHBondContact O-CB 3.44Å; V453-S457 PolarHBondContact O-N 3.43Å; V453-S457 PolarHBondContact O-OG 3.06Å
454S96.5Very high92.6Very high0 Ų054.2 Ų54.20%028%0.276CS..Hα-helixtrans-63.9-44.7177.357.10000112N135 N450 L451 D452 V458N135-S454 WeakPolarHBondContact ND2-CB 3.42Å; N135-S454 PolarHBondContact ND2-OG 3.13Å; N450-S454 WeakPolarHBondContact O-CB 3.41Å; N450-S454 PolarHBondContact O-N 3.35Å; N450-S454 VanDerWaalsContact O-N 3.13Å; N450-S454 PolarHBondContact O-OG 2.94Å; L451-S454 PolarHBondContact O-OG 3.28Å; L451-S454 VanDerWaalsContact O-OG 3.13Å; D452-S454 VanDerWaalsContact C-N 3.34Å; D452-S454 PolarHBondContact O-N 2.78Å; S454-V458 WeakPolarHBondContact O-CG2 3.4Å; S454-V458 PolarHBondContact O-N 3.25Å
455Y96.6Very high92.3Very high62 Ų6257.4 Ų57.424%0.24329%0.285CS..Hα-helixtrans-64.5-53.6177.1172.4-105.6000111.1L128 S285 F286 L451 D452 S457 V458 F459L128-Y455 HydrophobicContact CD2-CD2 3.75Å; L128-Y455 HydrophobicContact CD2-CE2 3.91Å; S285-Y455 WeakPolarHBondContact O-CD2 3.47Å; S285-Y455 WeakPolarHBondContact O-CE2 3.41Å; F286-Y455 HydrophobicContact CD1-CD2 4.12Å; F286-Y455 HydrophobicContact CE1-CD2 4.15Å; L451-Y455 WeakPolarHBondContact O-CB 3.42Å; L451-Y455 PolarHBondContact O-N 3.02Å; D452-Y455 PolarHBondContact O-N 3.43Å; Y455-S457 VanDerWaalsContact C-N 3.32Å; Y455-S457 PolarHBondContact O-N 2.86Å; Y455-V458 PolarHBondContact O-N 3.34Å; Y455-F459 HydrophobicContact CD2-CB 4.34Å; Y455-F459 HydrophobicContact CE1-CB 4.39Å; Y455-F459 HydrophobicContact CE1-CD1 4.42Å; Y455-F459 HydrophobicContact CE1-CG 4.39Å; Y455-F459 HydrophobicContact CE2-CB 3.99Å; Y455-F459 HydrophobicContact CE2-CD2 4.13Å; Y455-F459 HydrophobicContact CE2-CG 4.03Å; Y455-F459 AromaticContact CZ-CG 3.78Å; Y455-F459 VanDerWaalsContact O-CB 3.25Å; Y455-F459 WeakPolarHBondContact O-CB 3.39Å; Y455-F459 PolarHBondContact O-N 2.94Å
456R95Very high91.9Very high160 Ų16056.7 Ų56.760%0.60429%0.29SS*.Hα-helixtrans-60.1-40.2-176.7-70173.867-166.9-0112.8D452 V458 M460D452-R456 WeakPolarHBondContact O-CB 3.49Å; D452-R456 WeakPolarHBondContact O-CG 3.4Å; D452-R456 PolarHBondContact O-N 2.92Å; D452-R456 WeakPolarHBondContact OD2-CD 3.42Å; D452-R456 IonicContact OD2-NH1 2.9Å; D452-R456 PolarHBondContact OD2-NH1 3.21Å; R456-V458 VanDerWaalsContact C-N 3.32Å; R456-V458 PolarHBondContact O-N 3.13Å; R456-M460 PolarHBondContact O-N 3.41Å
457S93.1Very high91.2Very high17 Ų1763.3 Ų63.312%0.11932%0.32CS..Hα-helixtrans-65.2-34.7-179.3-57.60000112.6V453 Y455V453-S457 VanDerWaalsContact O-CB 3.24Å; V453-S457 WeakPolarHBondContact O-CB 3.44Å; V453-S457 PolarHBondContact O-N 3.43Å; V453-S457 PolarHBondContact O-OG 3.06Å; Y455-S457 VanDerWaalsContact C-N 3.32Å; Y455-S457 PolarHBondContact O-N 2.86Å
458V94.3Very high90.3Very high2 Ų268.3 Ų68.31%0.01235%0.347CS..Hα-helixtrans-96.7-19.8-176.8-57.10000114.4A108 I111 R127 L128 M131 S454 Y455 R456A108-V458 HydrophobicContact CB-CG1 4.38Å; I111-V458 HydrophobicContact CG2-CG1 4.34Å; R127-V458 HydrophobicContact CB-CB 3.81Å; R127-V458 HydrophobicContact CB-CG1 4.11Å; R127-V458 HydrophobicContact CB-CG2 4.49Å; R127-V458 PolarHBondContact NE-O 2.88Å; L128-V458 HydrophobicContact CD2-CG2 3.62Å; L128-V458 HydrophobicContact CG-CG2 4.03Å; M131-V458 HydrophobicContact CB-CG2 4.44Å; M131-V458 HydrophobicContact CG-CB 4.46Å; M131-V458 HydrophobicContact CG-CG1 3.53Å; M131-V458 HydrophobicContact CG-CG2 4.17Å; S454-V458 WeakPolarHBondContact O-CG2 3.4Å; S454-V458 PolarHBondContact O-N 3.25Å; Y455-V458 PolarHBondContact O-N 3.34Å; R456-V458 VanDerWaalsContact C-N 3.32Å; R456-V458 PolarHBondContact O-N 3.13Å
459F90.8Very high89.6Confident76 Ų7669 Ų6933%0.33335%0.35SS..Hα-helixtrans-89.7-15.2177.6-174.7-96.4000113.4R124 L128 Y455 D461R124-F459 VanDerWaalsContact CZ-O 3.28Å; R124-F459 PolarHBondContact NH1-O 2.86Å; L128-F459 HydrophobicContact CD1-CD2 4.31Å; L128-F459 HydrophobicContact CD2-CB 4.38Å; Y455-F459 HydrophobicContact CD2-CB 4.34Å; Y455-F459 HydrophobicContact CE1-CB 4.39Å; Y455-F459 HydrophobicContact CE1-CD1 4.42Å; Y455-F459 HydrophobicContact CE1-CG 4.39Å; Y455-F459 HydrophobicContact CE2-CB 3.99Å; Y455-F459 HydrophobicContact CE2-CD2 4.13Å; Y455-F459 HydrophobicContact CE2-CG 4.03Å; Y455-F459 AromaticContact CZ-CG 3.78Å; Y455-F459 VanDerWaalsContact O-CB 3.25Å; Y455-F459 WeakPolarHBondContact O-CB 3.39Å; Y455-F459 PolarHBondContact O-N 2.94Å; F459-D461 PolarHBondContact O-N 2.75Å
460M86.1Confident88.5Confident86 Ų8667.2 Ų67.242%0.42435%0.353SS..  trans-28.1120.1-171.9-170.2167.4-74.400113.7R124 R456 A464 F465R124-M460 PolarHBondContact NH2-O 2.85Å; R456-M460 PolarHBondContact O-N 3.41Å; M460-A464 HydrophobicContact CG-CB 4.06Å; M460-F465 HydrophobicContact CG-CE2 3.93Å; M460-F465 HydrophobicContact CG-CZ 4.21Å; M460-F465 HydrophobicContact SD-CE1 4.35Å; M460-F465 HydrophobicContact SD-CE2 4.02Å; M460-F465 HydrophobicContact SD-CZ 3.71Å
461D84.6Confident87.3Confident76 Ų7669.3 Ų69.341%0.40637%0.368SS..  trans-61.4135.3-176.8-158.3-54.8000109.9F459 D463 A464F459-D461 PolarHBondContact O-N 2.75Å; D461-D463 PolarHBondContact O-N 3.35Å; D461-D463 PolarHBondContact OD1-N 3.37Å; D461-A464 HydrophobicContact CB-CB 4.5Å; D461-A464 VanDerWaalsContact O-CB 3.22Å; D461-A464 WeakPolarHBondContact O-CB 3.43Å; D461-A464 PolarHBondContact O-N 2.94Å
462P78.9Confident86Confident73 Ų7373.5 Ų73.547%0.47440%0.395SS..G310 helixtrans-52.8-32.1172.9-27.137.8000113.1A464 F465P462-A464 PolarHBondContact O-N 3.45Å; P462-F465 PolarHBondContact O-N 3.14Å; P462-F465 VanDerWaalsContact O-N 3.14Å
463D83.6Confident84.6Confident149 Ų14974.5 Ų74.580%0.79740%0.398SS*.G310 helixtrans-70.6-10.8178-63.5-16000113.1D461 F465D461-D463 PolarHBondContact O-N 3.35Å; D461-D463 PolarHBondContact OD1-N 3.37Å; D463-F465 VanDerWaalsContact C-N 3.28Å
464A86.1Confident82.9Confident70 Ų7074.5 Ų74.558%0.57940%0.403SS*.G310 helixtrans-80.4-10.2173.900000112.9M460 D461 P462M460-A464 HydrophobicContact CG-CB 4.06Å; D461-A464 HydrophobicContact CB-CB 4.5Å; D461-A464 VanDerWaalsContact O-CB 3.22Å; D461-A464 WeakPolarHBondContact O-CB 3.43Å; D461-A464 PolarHBondContact O-N 2.94Å; P462-A464 PolarHBondContact O-N 3.45Å
465F84.8Confident81Confident101 Ų10183.8 Ų83.844%0.44344%0.444SS..SBendtrans-89.6151.6173-65.5-88.5000110.4M460 P462 D463 L469M460-F465 HydrophobicContact CG-CE2 3.93Å; M460-F465 HydrophobicContact CG-CZ 4.21Å; M460-F465 HydrophobicContact SD-CE1 4.35Å; M460-F465 HydrophobicContact SD-CE2 4.02Å; M460-F465 HydrophobicContact SD-CZ 3.71Å; P462-F465 PolarHBondContact O-N 3.14Å; P462-F465 VanDerWaalsContact O-N 3.14Å; D463-F465 VanDerWaalsContact C-N 3.28Å; F465-L469 HydrophobicContact CD1-CD2 4.46Å
466P86.7Confident78.9Confident73 Ų7386.5 Ų86.547%0.47446%0.457SS..PPolyproline II helixtrans-52.1147.7171.9-27.335.5000112.7L469 F489P466-L469 HydrophobicContact CB-CB 4.36Å; P466-L469 HydrophobicContact CG-CD2 4.45Å; P466-L469 WeakPolarHBondContact O-CB 3.31Å; P466-L469 PolarHBondContact O-N 3.45Å; P466-F489 HydrophobicContact CB-CE2 3.7Å; P466-F489 HydrophobicContact CB-CZ 4.1Å; P466-F489 HydrophobicContact CG-CE2 4.43Å; P466-F489 HydrophobicContact CG-CZ 4.35Å
467E80.3Confident76.9Confident163 Ų16389.1 Ų89.176%0.76247%0.473SS*.THydrogen-bonded Turntrans-54.8145.1171.7-65.2-176.8-176.400110.3L469E467-L469 PolarHBondContact O-N 3.04Å; E467-L469 VanDerWaalsContact O-N 3.08Å
468N77.6Confident74.9Confident104 Ų10493.3 Ų93.356%0.55650%0.502SS*.THydrogen-bonded Turntrans65.4-2.8-176.6-51.1-37.3000116.2S470 Q492N468-S470 PolarHBondContact O-N 2.86Å; N468-Q492 PolarHBondContact ND2-OE1 3.15Å
469L81.9Confident72.8Confident63 Ų6398.2 Ų98.233%0.3353%0.528SS..  trans-87.789.4169.7-173.563.3000110.6F465 P466 E467 F489F465-L469 HydrophobicContact CD1-CD2 4.46Å; P466-L469 HydrophobicContact CB-CB 4.36Å; P466-L469 HydrophobicContact CG-CD2 4.45Å; P466-L469 WeakPolarHBondContact O-CB 3.31Å; P466-L469 PolarHBondContact O-N 3.45Å; E467-L469 PolarHBondContact O-N 3.04Å; E467-L469 VanDerWaalsContact O-N 3.08Å; L469-F489 HydrophobicContact CB-CD2 4.08Å; L469-F489 HydrophobicContact CB-CE2 3.96Å; L469-F489 HydrophobicContact CB-CG 4.42Å; L469-F489 HydrophobicContact CB-CZ 4.18Å; L469-F489 HydrophobicContact CD1-CD1 3.95Å; L469-F489 HydrophobicContact CD1-CE1 3.99Å; L469-F489 HydrophobicContact CD1-CG 4.36Å; L469-F489 HydrophobicContact CD1-CZ 4.46Å; L469-F489 HydrophobicContact CD2-CE1 4.45Å; L469-F489 HydrophobicContact CD2-CZ 4.31Å
470S74Confident71Confident65 Ų65102.1 Ų102.146%0.45555%0.552SS.*  trans-75.5157.5178.665.10000112.6N468N468-S470 PolarHBondContact O-N 2.86Å
471S73.5Confident69.5Low44 Ų44102.3 Ų102.331%0.30856%0.555SS.*  trans-62.4140.3174.4-174.70000110.2M473S471-M473 PolarHBondContact O-N 2.82Å
472P70.3Confident68.1Low87 Ų87101.3 Ų101.357%0.56555%0.548SS*.  trans-70.475.7176.131.4-36.2000109.7
473M65.8Low66.9Low69 Ų69101.7 Ų101.734%0.3455%0.552SS.*  trans-72138.6172.4-71.5-178.8-73.300108.3S471S471-M473 PolarHBondContact O-N 2.82Å
474G60.2Low65.7Low24 Ų2497.9 Ų97.925%0.24753%0.532CS..  trans-59.1142.1177.900000110.1A117 K476A117-G474 PolarHBondContact O-N 3.44Å; G474-K476 PolarHBondContact O-N 3.3Å
475K56.9Low65.1Low196 Ų19697.5 Ų97.585%0.85252%0.52SS*.  trans-35106.1-175.4-65.6-176.3178.9-1750111.6K477K475-K477 PolarHBondContact O-N 3.1Å; K475-K477 VanDerWaalsContact O-N 3.16Å
476K53.6Low65Low118 Ų11897.3 Ų97.351%0.51352%0.523SS..  trans-59.8123.7159.5-75.2175.8-169.7138.90105.9G474 S478 E482G474-K476 PolarHBondContact O-N 3.3Å; K476-S478 PolarHBondContact O-N 3.11Å; K476-E482 IonicContact NZ-OE1 3.13Å; K476-E482 PolarHBondContact NZ-OE1 2.9Å; K476-E482 VanDerWaalsContact NZ-OE1 3.13Å
477K51.1Low64.9Low216 Ų21699 Ų9994%0.93953%0.528SS*.THydrogen-bonded Turntrans-60.911.6-173.5-89.3-174.8175-179.60115.3K475K475-K477 PolarHBondContact O-N 3.1Å; K475-K477 VanDerWaalsContact O-N 3.16Å
478S51Low65.1Low104 Ų10496.8 Ų96.873%0.72752%0.516SS*.THydrogen-bonded Turntrans-150.114.1-167.865.40000117.3K476K476-S478 PolarHBondContact O-N 3.11Å
479D51.4Low65.6Low106 Ų10693.2 Ų93.257%0.56750%0.495SS*.  trans-141.5114.4175.6-116.9-22.6000111.7N481D479-N481 HydrophobicContact CB-CB 4.29Å; D479-N481 PolarHBondContact O-N 2.94Å; D479-N481 VanDerWaalsContact O-N 3.1Å
480D53.5Low66Low157 Ų15794 Ų9484%0.8450%0.499SS*.THydrogen-bonded Turntrans-63-6.5168.9-70.9-40.2000112.1
481N53.9Low66.7Low90 Ų9095.1 Ų95.148%0.48150%0.5SS..Hα-helixtrans-69.5-30.6-175.8-105.17.5000115.8D479 S483 D484 D485D479-N481 HydrophobicContact CB-CB 4.29Å; D479-N481 PolarHBondContact O-N 2.94Å; D479-N481 VanDerWaalsContact O-N 3.1Å; N481-S483 PolarHBondContact O-N 3.14Å; N481-D484 WeakPolarHBondContact O-CB 3.09Å; N481-D484 PolarHBondContact O-N 3.17Å; N481-D484 VanDerWaalsContact O-N 3.16Å; N481-D485 PolarHBondContact O-N 3.31Å
482E55.4Low67.5Low56 Ų5696 Ų9626%0.26250%0.499SS..Hα-helixtrans-71.3-30.2-174.1-81.6177.7179.400112.6K476 D484 D485K476-E482 IonicContact NZ-OE1 3.13Å; K476-E482 PolarHBondContact NZ-OE1 2.9Å; K476-E482 VanDerWaalsContact NZ-OE1 3.13Å; E482-D484 PolarHBondContact O-N 3.3Å; E482-D485 PolarHBondContact O-N 3.07Å
483S54Low68.5Low80 Ų8094 Ų9456%0.55949%0.486SS*.Hα-helixtrans-60.1-36.7171.7173.10000111.3N481 D485N481-S483 PolarHBondContact O-N 3.14Å; S483-D485 VanDerWaalsContact C-N 3.3Å; S483-D485 PolarHBondContact O-N 3.27Å
484D57.9Low69.7Low70 Ų7095.9 Ų95.937%0.37450%0.497SS..Hα-helixtrans-70.8-28.1-178.2-71.4-6.3000111.8N481 E482 K488N481-D484 WeakPolarHBondContact O-CB 3.09Å; N481-D484 PolarHBondContact O-N 3.17Å; N481-D484 VanDerWaalsContact O-N 3.16Å; E482-D484 PolarHBondContact O-N 3.3Å; D484-K488 HydrophobicContact CB-CD 4.49Å; D484-K488 VanDerWaalsContact O-CB 3.23Å; D484-K488 WeakPolarHBondContact O-CB 3.21Å; D484-K488 VanDerWaalsContact O-CD 3.31Å; D484-K488 WeakPolarHBondContact O-CD 3.35Å; D484-K488 WeakPolarHBondContact O-CG 3.38Å; D484-K488 PolarHBondContact O-N 3.19Å
485D72.7Confident71.2Confident62 Ų6299.9 Ų99.933%0.33251%0.509SS..Hα-helixtrans-66.5-40.7179.9-72.1-12.7000112N481 E482 S483 F489N481-D485 PolarHBondContact O-N 3.31Å; E482-D485 PolarHBondContact O-N 3.07Å; S483-D485 VanDerWaalsContact C-N 3.3Å; S483-D485 PolarHBondContact O-N 3.27Å; D485-F489 VanDerWaalsContact O-CB 3.32Å; D485-F489 WeakPolarHBondContact O-CB 3.4Å; D485-F489 PolarHBondContact O-N 2.84Å
486L82.5Confident72.7Confident97 Ų9795.4 Ų95.451%0.50849%0.491SS..Hα-helixtrans-67.2-46177.7178.461.6000111.8F489 L490L486-F489 PolarHBondContact O-N 3.2Å; L486-L490 HydrophobicContact CD1-CD1 4.44Å; L486-L490 HydrophobicContact CD1-CG 4.41Å; L486-L490 HydrophobicContact CG-CD1 4.33Å; L486-L490 WeakPolarHBondContact O-CG 3.23Å; L486-L490 PolarHBondContact O-N 2.97Å
487L84.8Confident74.4Confident109 Ų10994 Ų9457%0.57149%0.489SS*.Hα-helixtrans-66.7-39179.9-70176.7000111.7L490 D491L487-L490 PolarHBondContact O-N 3.35Å; L487-D491 WeakPolarHBondContact O-CB 3.13Å; L487-D491 PolarHBondContact O-N 3.23Å
488K85.7Confident76.2Confident116 Ų11685.8 Ų85.850%0.50446%0.461SS..Hα-helixtrans-62.1-43.7173.3-75167.2-169156.90111.9D484 L490 D491 Q492D484-K488 HydrophobicContact CB-CD 4.49Å; D484-K488 VanDerWaalsContact O-CB 3.23Å; D484-K488 WeakPolarHBondContact O-CB 3.21Å; D484-K488 VanDerWaalsContact O-CD 3.31Å; D484-K488 WeakPolarHBondContact O-CD 3.35Å; D484-K488 WeakPolarHBondContact O-CG 3.38Å; D484-K488 PolarHBondContact O-N 3.19Å; K488-L490 VanDerWaalsContact C-N 3.33Å; K488-L490 PolarHBondContact O-N 3.49Å; K488-D491 PolarHBondContact O-N 2.88Å; K488-Q492 WeakPolarHBondContact O-CB 3.44Å; K488-Q492 PolarHBondContact O-N 3.39Å
489F87.5Confident78Confident28 Ų2885.8 Ų85.812%0.12345%0.449CS..Hα-helixtrans-58.4-46.5175.1168.8-100.8000111.3P466 L469 D485 L486 Q492 V493P466-F489 HydrophobicContact CB-CE2 3.7Å; P466-F489 HydrophobicContact CB-CZ 4.1Å; P466-F489 HydrophobicContact CG-CE2 4.43Å; P466-F489 HydrophobicContact CG-CZ 4.35Å; L469-F489 HydrophobicContact CB-CD2 4.08Å; L469-F489 HydrophobicContact CB-CE2 3.96Å; L469-F489 HydrophobicContact CB-CG 4.42Å; L469-F489 HydrophobicContact CB-CZ 4.18Å; L469-F489 HydrophobicContact CD1-CD1 3.95Å; L469-F489 HydrophobicContact CD1-CE1 3.99Å; L469-F489 HydrophobicContact CD1-CG 4.36Å; L469-F489 HydrophobicContact CD1-CZ 4.46Å; L469-F489 HydrophobicContact CD2-CE1 4.45Å; L469-F489 HydrophobicContact CD2-CZ 4.31Å; D485-F489 VanDerWaalsContact O-CB 3.32Å; D485-F489 WeakPolarHBondContact O-CB 3.4Å; D485-F489 PolarHBondContact O-N 2.84Å; L486-F489 PolarHBondContact O-N 3.2Å; F489-Q492 PolarHBondContact O-N 3.47Å; F489-V493 HydrophobicContact CD2-CG2 4.41Å; F489-V493 HydrophobicContact CE1-CG2 4.12Å; F489-V493 HydrophobicContact CE2-CG2 3.88Å; F489-V493 HydrophobicContact CZ-CG2 3.73Å; F489-V493 WeakPolarHBondContact O-CG2 3.32Å; F489-V493 PolarHBondContact O-N 2.86Å
490L89.5Confident79.5Confident80 Ų8085.3 Ų85.342%0.41945%0.45SS..Hα-helixtrans-64.3-42.1178.6-67.8174.5000112.4L486 L487 K488 Q492 V493 D494L486-L490 HydrophobicContact CD1-CD1 4.44Å; L486-L490 HydrophobicContact CD1-CG 4.41Å; L486-L490 HydrophobicContact CG-CD1 4.33Å; L486-L490 WeakPolarHBondContact O-CG 3.23Å; L486-L490 PolarHBondContact O-N 2.97Å; L487-L490 PolarHBondContact O-N 3.35Å; K488-L490 VanDerWaalsContact C-N 3.33Å; K488-L490 PolarHBondContact O-N 3.49Å; L490-Q492 VanDerWaalsContact C-N 3.35Å; L490-Q492 PolarHBondContact O-N 3.33Å; L490-V493 PolarHBondContact O-N 2.91Å; L490-D494 PolarHBondContact O-N 3.24Å
491D90.3Very high80.8Confident89 Ų8986.8 Ų86.848%0.47644%0.444SS..Hα-helixtrans-63-40.7176.3-174.564.5000111.7L487 K488 V493 D494 Q495L487-D491 WeakPolarHBondContact O-CB 3.13Å; L487-D491 PolarHBondContact O-N 3.23Å; K488-D491 PolarHBondContact O-N 2.88Å; D491-V493 PolarHBondContact O-N 3.29Å; D491-D494 PolarHBondContact O-N 3.09Å; D491-Q495 VanDerWaalsContact O-CG 3.26Å; D491-Q495 WeakPolarHBondContact O-CG 3.43Å; D491-Q495 PolarHBondContact O-N 3.1Å; D491-Q495 PolarHBondContact OD2-NE2 3.47Å
492Q89.7Confident82Confident61 Ų6188.9 Ų88.929%0.28546%0.455SS..Hα-helixtrans-59.5-46.7173.4-178.8-175.7-16.500111.3N468 K488 F489 L490 D494 Q495 E496N468-Q492 PolarHBondContact ND2-OE1 3.15Å; K488-Q492 WeakPolarHBondContact O-CB 3.44Å; K488-Q492 PolarHBondContact O-N 3.39Å; F489-Q492 PolarHBondContact O-N 3.47Å; L490-Q492 VanDerWaalsContact C-N 3.35Å; L490-Q492 PolarHBondContact O-N 3.33Å; Q492-D494 VanDerWaalsContact C-N 3.34Å; Q492-D494 PolarHBondContact O-N 2.82Å; Q492-Q495 PolarHBondContact O-N 3.27Å; Q492-E496 PolarHBondContact NE2-OE1 3.46Å; Q492-E496 WeakPolarHBondContact O-CG 3.21Å; Q492-E496 PolarHBondContact O-N 3.03Å
493V90.6Very high82.7Confident47 Ų4793.3 Ų93.329%0.28547%0.473SS..Hα-helixtrans-61.8-43.3177.91710000111.1F489 L490 D491 Q495 E496 I497F489-V493 HydrophobicContact CD2-CG2 4.41Å; F489-V493 HydrophobicContact CE1-CG2 4.12Å; F489-V493 HydrophobicContact CE2-CG2 3.88Å; F489-V493 HydrophobicContact CZ-CG2 3.73Å; F489-V493 WeakPolarHBondContact O-CG2 3.32Å; F489-V493 PolarHBondContact O-N 2.86Å; L490-V493 PolarHBondContact O-N 2.91Å; D491-V493 PolarHBondContact O-N 3.29Å; V493-Q495 VanDerWaalsContact C-N 3.33Å; V493-Q495 PolarHBondContact O-N 3.28Å; V493-E496 PolarHBondContact O-N 3.01Å; V493-I497 HydrophobicContact CG1-CD1 3.76Å; V493-I497 HydrophobicContact CG1-CG1 4.44Å; V493-I497 VanDerWaalsContact O-CG1 3.26Å; V493-I497 WeakPolarHBondContact O-CG1 3.17Å; V493-I497 PolarHBondContact O-N 3.24Å
494D92.1Very high83.1Confident107 Ų10791 Ų9157%0.57246%0.462SS*.Hα-helixtrans-62.4-40.2177.3-81.4-21.1000111.9L490 D491 Q492 A498L490-D494 PolarHBondContact O-N 3.24Å; D491-D494 PolarHBondContact O-N 3.09Å; Q492-D494 VanDerWaalsContact C-N 3.34Å; Q492-D494 PolarHBondContact O-N 2.82Å; D494-A498 WeakPolarHBondContact O-CB 3.4Å; D494-A498 PolarHBondContact O-N 3.49Å
495Q92.1Very high83Confident109 Ų10993.9 Ų93.951%0.50948%0.477SS..Hα-helixtrans-63.5-47.4174.8-71.2176.42400112D491 Q492 V493 I497 A498 E499D491-Q495 VanDerWaalsContact O-CG 3.26Å; D491-Q495 WeakPolarHBondContact O-CG 3.43Å; D491-Q495 PolarHBondContact O-N 3.1Å; D491-Q495 PolarHBondContact OD2-NE2 3.47Å; Q492-Q495 PolarHBondContact O-N 3.27Å; V493-Q495 VanDerWaalsContact C-N 3.33Å; V493-Q495 PolarHBondContact O-N 3.28Å; Q495-I497 VanDerWaalsContact C-N 3.34Å; Q495-I497 PolarHBondContact O-N 3.34Å; Q495-A498 WeakPolarHBondContact O-CB 3.4Å; Q495-A498 PolarHBondContact O-N 3.15Å; Q495-A498 VanDerWaalsContact O-N 3.16Å; Q495-E499 WeakPolarHBondContact O-CG 3.32Å; Q495-E499 PolarHBondContact O-N 3.46Å
496E88.1Confident81.8Confident101 Ų10197.5 Ų97.547%0.47250%0.496SS..Hα-helixtrans-60.8-41.9177.8-73177.7-159.400111.8Q492 V493 E499 V500Q492-E496 PolarHBondContact NE2-OE1 3.46Å; Q492-E496 WeakPolarHBondContact O-CG 3.21Å; Q492-E496 PolarHBondContact O-N 3.03Å; V493-E496 PolarHBondContact O-N 3.01Å; E496-E499 PolarHBondContact O-N 2.94Å; E496-V500 WeakPolarHBondContact O-CG2 3.21Å; E496-V500 PolarHBondContact O-N 3.22Å
497I88.4Confident80.3Confident90 Ų9099 Ų9946%0.46250%0.504SS..Hα-helixtrans-63.6-43.2174.9-69.1168.5000110.8V493 Q495 E499 V500 R501V493-I497 HydrophobicContact CG1-CD1 3.76Å; V493-I497 HydrophobicContact CG1-CG1 4.44Å; V493-I497 VanDerWaalsContact O-CG1 3.26Å; V493-I497 WeakPolarHBondContact O-CG1 3.17Å; V493-I497 PolarHBondContact O-N 3.24Å; Q495-I497 VanDerWaalsContact C-N 3.34Å; Q495-I497 PolarHBondContact O-N 3.34Å; I497-E499 VanDerWaalsContact C-N 3.32Å; I497-E499 PolarHBondContact O-N 3.36Å; I497-V500 PolarHBondContact O-N 3.42Å; I497-R501 WeakPolarHBondContact O-CB 3.43Å; I497-R501 PolarHBondContact O-N 3Å
498A89.9Confident78.6Confident42 Ų4298.9 Ų98.935%0.34750%0.504SS..Hα-helixtrans-62.8-39177.300000111.7D494 Q495 R501 N502D494-A498 WeakPolarHBondContact O-CB 3.4Å; D494-A498 PolarHBondContact O-N 3.49Å; Q495-A498 WeakPolarHBondContact O-CB 3.4Å; Q495-A498 PolarHBondContact O-N 3.15Å; Q495-A498 VanDerWaalsContact O-N 3.16Å; A498-R501 PolarHBondContact O-N 3.2Å; A498-N502 VanDerWaalsContact O-CB 3.27Å; A498-N502 WeakPolarHBondContact O-CB 3.48Å; A498-N502 PolarHBondContact O-N 3.29Å; A498-N502 PolarHBondContact O-ND2 3.26Å
499E87.9Confident77Confident104 Ų10497.7 Ų97.749%0.48651%0.506SS..Hα-helixtrans-62.6-47.6174.1-75.2-165.7-168.200112.9Q495 E496 I497 R501 N502 K503Q495-E499 WeakPolarHBondContact O-CG 3.32Å; Q495-E499 PolarHBondContact O-N 3.46Å; E496-E499 PolarHBondContact O-N 2.94Å; I497-E499 VanDerWaalsContact C-N 3.32Å; I497-E499 PolarHBondContact O-N 3.36Å; E499-R501 VanDerWaalsContact C-N 3.28Å; E499-R501 PolarHBondContact O-N 3.5Å; E499-N502 PolarHBondContact O-N 2.78Å; E499-K503 WeakPolarHBondContact O-CB 3.45Å; E499-K503 WeakPolarHBondContact O-CG 3.45Å; E499-K503 PolarHBondContact O-N 3.1Å; E499-K503 IonicContact OE2-NZ 3.11Å; E499-K503 PolarHBondContact OE2-NZ 2.72Å
500V83.7Confident75.2Confident97 Ų9799.9 Ų99.959%0.58853%0.525SS*.Hα-helixtrans-62.3-39.2178.51730000110.6E496 I497E496-V500 WeakPolarHBondContact O-CG2 3.21Å; E496-V500 PolarHBondContact O-N 3.22Å; I497-V500 PolarHBondContact O-N 3.42Å
501R80.3Confident73.3Confident188 Ų188101.9 Ų101.971%0.70954%0.536SS*.Hα-helixtrans-64.5-44.7174.8-174.8-176.8-72.7-165-0.9111.9I497 A498 E499 G504I497-R501 WeakPolarHBondContact O-CB 3.43Å; I497-R501 PolarHBondContact O-N 3Å; A498-R501 PolarHBondContact O-N 3.2Å; E499-R501 VanDerWaalsContact C-N 3.28Å; E499-R501 PolarHBondContact O-N 3.5Å; R501-G504 PolarHBondContact O-N 3.49Å
502N78.4Confident71.3Confident134 Ų134104.5 Ų104.572%0.71755%0.55SS*.Hα-helixtrans-76.3-31.1-175.4-73-17.7000113.9A498 E499 G504A498-N502 VanDerWaalsContact O-CB 3.27Å; A498-N502 WeakPolarHBondContact O-CB 3.48Å; A498-N502 PolarHBondContact O-N 3.29Å; A498-N502 PolarHBondContact O-ND2 3.26Å; E499-N502 PolarHBondContact O-N 2.78Å; N502-G504 PolarHBondContact O-N 3.21Å
503K71.3Confident69.3Low148 Ų148108.7 Ų108.764%0.64357%0.569SS**THydrogen-bonded Turntrans-63.1-8.4171.1-76168.9-176.3153.90112.3E499E499-K503 WeakPolarHBondContact O-CB 3.45Å; E499-K503 WeakPolarHBondContact O-CG 3.45Å; E499-K503 PolarHBondContact O-N 3.1Å; E499-K503 IonicContact OE2-NZ 3.11Å; E499-K503 PolarHBondContact OE2-NZ 2.72Å
504G61.6Low67.3Low31 Ų31115.1 Ų115.132%0.3260%0.598SS.*  trans71.6130.2-175.500000108.6R501 N502 L506R501-G504 PolarHBondContact O-N 3.49Å; N502-G504 PolarHBondContact O-N 3.21Å; G504-L506 PolarHBondContact O-N 2.82Å
505L55.3Low65.2Low131 Ų131117.8 Ų117.869%0.68661%0.607SS**  trans-69.762.1163.3-162.671.9000107.8N507 V509L505-N507 VanDerWaalsContact C-N 3.25Å; L505-N507 PolarHBondContact O-N 3.5Å; L505-V509 HydrophobicContact CD2-CG2 3.29Å; L505-V509 HydrophobicContact CG-CG2 4.14Å
506L47.4Very low63.4Low139 Ų139115 Ų11573%0.72860%0.598SS**  trans-78.39.8-150.2-157.198.2000113.9G504G504-L506 PolarHBondContact O-N 2.82Å
507N51.3Low62Low128 Ų128113 Ų11368%0.68460%0.596SS**SBendtrans-163.3-0.8172.5-97.7-27.5000119.7L505 S510L505-N507 VanDerWaalsContact C-N 3.25Å; L505-N507 PolarHBondContact O-N 3.5Å; N507-S510 PolarHBondContact O-OG 3.17Å
508D50.2Low60.7Low106 Ų106116.9 Ų116.957%0.56761%0.609SS**SBendtrans-112.8-8.9-169.4-82.5-31.5000117.5S510 N511D508-S510 PolarHBondContact O-N 3.41Å; D508-N511 PolarHBondContact OD1-ND2 3.31Å; D508-N511 PolarHBondContact O-N 3.37Å
509V50.8Low59.3Low92 Ų92119.6 Ų119.656%0.55863%0.625SS**G310 helixtrans-66.4-27.9174.5-170.90000111.2L505 N511 L512L505-V509 HydrophobicContact CD2-CG2 3.29Å; L505-V509 HydrophobicContact CG-CG2 4.14Å; V509-N511 PolarHBondContact O-N 3.35Å; V509-N511 VanDerWaalsContact C-N 3.3Å; V509-L512 PolarHBondContact O-N 2.67Å
510S50.2Low58Low73 Ų73119.3 Ų119.351%0.5162%0.623SS.*G310 helixtrans-70.1-22.2172.144.70000113.8N507 D508 L512 E513N507-S510 PolarHBondContact O-OG 3.17Å; D508-S510 PolarHBondContact O-N 3.41Å; S510-L512 VanDerWaalsContact C-N 3.31Å; S510-E513 PolarHBondContact O-N 3.02Å
511N50.1Low56.6Low123 Ų123121 Ų12166%0.65862%0.619SS**G310 helixtrans-82.4-9.7178.5-72-29.8000113.2D508 V509D508-N511 PolarHBondContact OD1-ND2 3.31Å; D508-N511 PolarHBondContact O-N 3.37Å; V509-N511 PolarHBondContact O-N 3.35Å; V509-N511 VanDerWaalsContact C-N 3.3Å
512L47.9Very low55.7Low144 Ų144114.3 Ų114.375%0.75460%0.604SS**G310 helixtrans-89.3-3.7172.5-77159.6000113.1V509 S510 M514V509-L512 PolarHBondContact O-N 2.67Å; S510-L512 VanDerWaalsContact C-N 3.31Å; L512-M514 PolarHBondContact O-N 2.72Å
513E47.1Very low54.9Low148 Ų148116.9 Ų116.969%0.69260%0.604SS**SBendtrans-65.6100.4167.2-67-169.9179.500108.2S510 H515S510-E513 PolarHBondContact O-N 3.02Å; E513-H515 PolarHBondContact O-N 3.16Å
514M48.8Very low54.2Low182 Ų182114.8 Ų114.890%0.89760%0.6SS**  trans-48.4110.3170.2-80.7-172-120.300108.2L512 P516L512-M514 PolarHBondContact O-N 2.72Å; M514-P516 WeakPolarHBondContact O-CD 3.38Å
515H49Very low54.1Low163 Ų163119.9 Ų119.976%0.75562%0.619SS**PPolyproline II helixtrans-56.2116.4176.8-85.1-67.5000108.4E513 S517E513-H515 PolarHBondContact O-N 3.16Å; H515-S517 PolarHBondContact O-N 3.37Å
516P53.8Low54.1Low50 Ų50119 Ų11933%0.32562%0.623SS.*PPolyproline II helixtrans-58.2141.6-179.917.6-27.2000109.6M514 E520 R521M514-P516 WeakPolarHBondContact O-CD 3.38Å; P516-E520 HydrophobicContact CB-CB 3.7Å; P516-R521 PolarHBondContact O-NH2 3.04Å; P516-R521 VanDerWaalsContact O-NH2 3.16Å; P516-R521 PolarHBondContact O-NE 3.07Å
517S59.5Low54.4Low61 Ų61116.6 Ų116.643%0.42762%0.616SS.*PPolyproline II helixtrans-53.5154.8178.5620000110.4H515 C519 E520 R521H515-S517 PolarHBondContact O-N 3.37Å; S517-C519 PolarHBondContact O-N 2.72Å; S517-E520 PolarHBondContact N-OE2 3.47Å; S517-E520 PolarHBondContact O-N 2.69Å; S517-E520 PolarHBondContact OG-OE2 3.27Å; S517-R521 PolarHBondContact O-N 2.93Å
518F61Low53.9Low170 Ų170116.1 Ų116.175%0.74662%0.621SS**Hα-helixtrans-49.8-38.4179.4178.4-98.4000112.5R521 A522F518-R521 PolarHBondContact O-N 3.42Å; F518-A522 PolarHBondContact O-N 3.45Å
519C59Low53.5Low99 Ų99119.3 Ų119.367%0.66963%0.633SS**Hα-helixtrans-65.6-38.3176.4-70.80000113.9S517 A522 R523S517-C519 PolarHBondContact O-N 2.72Å; C519-A522 PolarHBondContact O-N 2.71Å; C519-R523 WeakPolarHBondContact O-CB 3.26Å; C519-R523 PolarHBondContact O-N 3.45Å
520E60.9Low53.1Low98 Ų98125.4 Ų125.446%0.45865%0.652SS.*Hα-helixtrans-70.6-36.1175.6-78.6165.6141.200111.8P516 S517 R523 N524P516-E520 HydrophobicContact CB-CB 3.7Å; S517-E520 PolarHBondContact N-OE2 3.47Å; S517-E520 PolarHBondContact O-N 2.69Å; S517-E520 PolarHBondContact OG-OE2 3.27Å; E520-R523 PolarHBondContact O-N 2.96Å; E520-N524 WeakPolarHBondContact O-CB 3.29Å; E520-N524 PolarHBondContact O-N 3.32Å
521R55.7Low52.7Low132 Ų132131.4 Ų131.450%0.49867%0.669SS.*Hα-helixtrans-60.3-46172.6-109.8179.6-75.3-164.5-5.5111.7P516 S517 F518 R523 N524 L525P516-R521 PolarHBondContact O-NH2 3.04Å; P516-R521 VanDerWaalsContact O-NH2 3.16Å; P516-R521 PolarHBondContact O-NE 3.07Å; S517-R521 PolarHBondContact O-N 2.93Å; F518-R521 PolarHBondContact O-N 3.42Å; R521-R523 VanDerWaalsContact C-N 3.32Å; R521-R523 PolarHBondContact O-N 3.14Å; R521-N524 PolarHBondContact O-N 2.8Å; R521-L525 PolarHBondContact O-N 2.94Å; R521-L525 VanDerWaalsContact O-N 3.1Å
522A60.3Low52.3Low48 Ų48134.7 Ų134.740%0.39768%0.677SS.*Hα-helixtrans-61.9-40.2175.100000111.8F518 C519 C526F518-A522 PolarHBondContact O-N 3.45Å; C519-A522 PolarHBondContact O-N 2.71Å; A522-C526 PolarHBondContact O-N 2.99Å
523R62Low51.9Low188 Ų188133.3 Ų133.371%0.70968%0.677SS**Hα-helixtrans-64.9-42.4177.5-164.5178-168.2162.13.8112.5C519 E520 R521 C526 C527C519-R523 WeakPolarHBondContact O-CB 3.26Å; C519-R523 PolarHBondContact O-N 3.45Å; E520-R523 PolarHBondContact O-N 2.96Å; R521-R523 VanDerWaalsContact C-N 3.32Å; R521-R523 PolarHBondContact O-N 3.14Å; R523-C526 PolarHBondContact O-N 3.3Å; R523-C527 PolarHBondContact O-N 2.85Å
524N57Low51.7Low105 Ų105131.8 Ų131.856%0.56168%0.68SS**Hα-helixtrans-70.4-33.4-179.2-73.4-13.8000112.6E520 R521 C526 C527E520-N524 WeakPolarHBondContact O-CB 3.29Å; E520-N524 PolarHBondContact O-N 3.32Å; R521-N524 PolarHBondContact O-N 2.8Å; N524-C526 VanDerWaalsContact C-N 3.28Å; N524-C526 PolarHBondContact O-N 3.47Å; N524-C527 CarbonylContact O-C 3.54Å; N524-C527 PolarHBondContact O-N 2.8Å
525L58.8Low51.2Low138 Ų138128.6 Ų128.672%0.72367%0.673SS**Hα-helixtrans-64.1-32.7172.7-84160.6000112.5R521 C527R521-L525 PolarHBondContact O-N 2.94Å; R521-L525 VanDerWaalsContact O-N 3.1Å; L525-C527 VanDerWaalsContact C-N 3.34Å
526C56.3Low50.7Low113 Ų113126.2 Ų126.276%0.76467%0.672SS**Hα-helixtrans-80.9-12.8177.5-68.40000113.8A522 R523 N524A522-C526 PolarHBondContact O-N 2.99Å; R523-C526 PolarHBondContact O-N 3.3Å; N524-C526 VanDerWaalsContact C-N 3.28Å; N524-C526 PolarHBondContact O-N 3.47Å
527C52Low49.9Very low87 Ų87129.7 Ų129.759%0.58869%0.694SS**  trans-120.364.4-176.2-62.10000110.6R523 N524 L525 E529R523-C527 PolarHBondContact O-N 2.85Å; N524-C527 CarbonylContact O-C 3.54Å; N524-C527 PolarHBondContact O-N 2.8Å; L525-C527 VanDerWaalsContact C-N 3.34Å; C527-E529 PolarHBondContact O-N 3.18Å
528C41Very low49Very low118 Ų118134.5 Ų134.580%0.79771%0.714SS**  trans-70.672.2172.8-61.60000111.8
529E43Very low47.9Very low174 Ų174134 Ų13481%0.81372%0.716SS**  trans-112.6118.6159.2-82-17216200109.4C527 K531C527-E529 PolarHBondContact O-N 3.18Å; E529-K531 VanDerWaalsContact C-N 3.35Å; E529-K531 PolarHBondContact O-N 3.41Å
530K41.2Very low47Very low220 Ų220134.5 Ų134.596%0.95772%0.715SS**  trans-59.687.4-179.7-66.5176.8176.9177.90110.5K532K530-K532 PolarHBondContact O-N 3.34Å
531K42.8Very low45.9Very low198 Ų198133.6 Ų133.686%0.86172%0.717SS**PPolyproline II helixtrans-71.4118.4168.1-76.6-173.7176-1800108.9E529E529-K531 VanDerWaalsContact C-N 3.35Å; E529-K531 PolarHBondContact O-N 3.41Å
532K40.2Very low45.2Very low193 Ų193134 Ų13484%0.83973%0.729SS**PPolyproline II helixtrans-59.3141.8168.7-85.7-179.1174.8179.20109.3K530K530-K532 PolarHBondContact O-N 3.34Å
533P41.2Very low44.6Very low114 Ų114137 Ų13774%0.7474%0.742SS**PPolyproline II helixtrans-60.8143.6177.424.6-32.4000110.6
534P42.6Very low43.8Very low116 Ų116132.4 Ų132.475%0.75373%0.731SS**PPolyproline II helixtrans-63.2148.417526.9-32.6000110.4
535P38.5Very low42.8Very low116 Ų116135 Ų13575%0.75373%0.734SS**PPolyproline II helixtrans-62.7149.5174.126.8-32.5000110.5
536P38Very low41.9Very low113 Ų113135.5 Ų135.573%0.73473%0.733SS**PPolyproline II helixtrans-60147.8179.224.3-32.6000111.2I538P536-I538 PolarHBondContact O-N 3.18Å
537P37.2Very low41.2Very low122 Ų122139.7 Ų139.779%0.79273%0.732SS**PPolyproline II helixtrans-59136.4177.822.4-30.3000110.7M539P537-M539 PolarHBondContact O-N 3.1Å
538I41.2Very low40.6Very low163 Ų163145 Ų14584%0.83674%0.742SS**PPolyproline II helixtrans-65.8116.1178.5-61.9170.1000107.7P536 V540P536-I538 PolarHBondContact O-N 3.18Å; I538-V540 PolarHBondContact O-N 3.17Å
539M37.7Very low40.4Very low160 Ų160149 Ų14979%0.78874%0.741SS**PPolyproline II helixtrans-66.8116.3174.5-85-167.4-82.600109.6P537 T541P537-M539 PolarHBondContact O-N 3.1Å; M539-T541 PolarHBondContact O-N 3.47Å
540V38.7Very low40.1Very low109 Ų109148.4 Ų148.466%0.66174%0.739SS**  trans-74106.8166.1-176.80000106.8I538 D544I538-V540 PolarHBondContact O-N 3.17Å; V540-D544 HydrophobicContact CG1-CB 4.21Å
541T39Very low39.9Very low79 Ų79143.1 Ų143.149%0.48573%0.725SS.*  trans-85.115317361.60000109.7M539 V543 D544M539-T541 PolarHBondContact O-N 3.47Å; T541-V543 PolarHBondContact O-N 3.2Å; T541-D544 PolarHBondContact O-N 3.3Å
542N41.2Very low39.6Very low140 Ų140139.3 Ų139.375%0.74972%0.721SS**THydrogen-bonded Turntrans-54-17.4-180-89.3-13.6000114.6D544 Y545N542-D544 PolarHBondContact O-N 2.93Å; N542-Y545 PolarHBondContact O-N 3.02Å
543V47.5Very low39.3Very low112 Ų112139.4 Ų139.468%0.67973%0.726SS**Hα-helixtrans-64.6-26.6175.5-172.80000112.2T541 Y545T541-V543 PolarHBondContact O-N 3.2Å; V543-Y545 VanDerWaalsContact C-N 3.32Å; V543-Y545 PolarHBondContact O-N 3.45Å
544D44.1Very low39Very low90 Ų90142.9 Ų142.948%0.48173%0.73SS.*Hα-helixtrans-75.8-20.8177.2-70.4-41.3000112.8V540 T541 N542V540-D544 HydrophobicContact CG1-CB 4.21Å; T541-D544 PolarHBondContact O-N 3.3Å; N542-D544 PolarHBondContact O-N 2.93Å
545Y37.4Very low38.6Very low161 Ų161143.1 Ų143.163%0.63173%0.731SS**Hα-helixtrans-75-39.5179-104.4-86.6000112.6N542 V543 R547 Y548N542-Y545 PolarHBondContact O-N 3.02Å; V543-Y545 VanDerWaalsContact C-N 3.32Å; V543-Y545 PolarHBondContact O-N 3.45Å; Y545-R547 VanDerWaalsContact C-N 3.35Å; Y545-R547 PolarHBondContact O-N 3.1Å; Y545-Y548 PolarHBondContact O-N 3.35Å
546E38.9Very low38.6Very low147 Ų147142.7 Ų142.769%0.68773%0.731SS**Hα-helixtrans-69-34.3-179.2-70-167.6159.500112.2Y548 Y549E546-Y548 PolarHBondContact O-N 3.13Å; E546-Y549 PolarHBondContact O-N 2.62Å
547R41.8Very low38.5Very low201 Ų201146.2 Ų146.276%0.75874%0.737SS**Hα-helixtrans-67.8-20.7179.8-155.2179.8-105.1-174.9-3.6113Y545 Y549Y545-R547 VanDerWaalsContact C-N 3.35Å; Y545-R547 PolarHBondContact O-N 3.1Å; R547-Y549 VanDerWaalsContact C-N 3.34Å
548Y38.6Very low38.3Very low199 Ų199147.5 Ų147.578%0.7874%0.737SS**THydrogen-bonded Turntrans-75.9-20.8-179.9-128.1-88000113.5Y545 E546Y545-Y548 PolarHBondContact O-N 3.35Å; E546-Y548 PolarHBondContact O-N 3.13Å
549Y36.8Very low37.9Very low201 Ų201146.3 Ų146.379%0.78873%0.727SS**THydrogen-bonded Turntrans-102.3-12.7-178.2-76.4-79000114.7E546 R547E546-Y549 PolarHBondContact O-N 2.62Å; R547-Y549 VanDerWaalsContact C-N 3.34Å
550E38.3Very low37.7Very low163 Ų163144 Ų14476%0.76272%0.724SS**SBendtrans-89-8.2-178.6-72.4-165.8156.100115.3P552E550-P552 WeakPolarHBondContact O-CD 3.27Å
551T36.9Very low37.5Very low109 Ų109142.9 Ų142.967%0.66972%0.721SS**SBendtrans-86.1106.4175.127.30000111.7M553T551-M553 PolarHBondContact O-N 2.93Å
552P35.4Very low37.2Very low118 Ų118145.5 Ų145.577%0.76673%0.731SS**  trans-61.1123.8172.924.2-32.7000109.3E550 K554E550-P552 WeakPolarHBondContact O-CD 3.27Å; P552-K554 PolarHBondContact O-N 3.16Å
553M33.9Very low36.7Very low194 Ų194147.7 Ų147.796%0.95673%0.734SS**  trans-55101.4176.1-75.3-168172.100109.8T551T551-M553 PolarHBondContact O-N 2.93Å
554K35Very low35.9Very low188 Ų188151.3 Ų151.382%0.81774%0.74SS**  trans-64.2133.7162.4-84-177.4176.9176.80107.4P552 S556P552-K554 PolarHBondContact O-N 3.16Å; K554-S556 PolarHBondContact O-N 3.12Å
555P34.6Very low35.2Very low121 Ų121158 Ų15879%0.78676%0.759SS**  trans-64.297.9-18025.1-31.7000108.7H557P555-H557 PolarHBondContact O-N 3.2Å; P555-H557 VanDerWaalsContact O-N 3.13Å
556S37.3Very low34.9Very low106 Ų106156.2 Ų156.274%0.74177%0.765SS**  trans-64.5114.417549.40000108K554 L558K554-S556 PolarHBondContact O-N 3.12Å; S556-L558 PolarHBondContact O-N 2.78Å; S556-L558 VanDerWaalsContact O-N 3.07Å
557H37.7Very low34.6Very low188 Ų188160.2 Ų160.287%0.8777%0.774SS**  trans-37112170.8-69.1-88.1000111P555 H559P555-H557 PolarHBondContact O-N 3.2Å; P555-H557 VanDerWaalsContact O-N 3.13Å; H557-H559 PolarHBondContact O-N 3.46Å; H557-H559 VanDerWaalsContact O-N 3.09Å
558L31.8Very low34Very low149 Ų149158.4 Ų158.478%0.7878%0.778SS**  trans-55.7119.1171.2-94.898.3000108.9S556S556-L558 PolarHBondContact O-N 2.78Å; S556-L558 VanDerWaalsContact O-N 3.07Å
559H32.7Very low33.7Very low138 Ų138160.7 Ų160.764%0.63979%0.786SS**  trans-57.3134.6175.8-163.5-89.4000110H557 S561H557-H559 PolarHBondContact O-N 3.46Å; H557-H559 VanDerWaalsContact O-N 3.09Å; H559-S561 PolarHBondContact CE1-OG 3.18Å; H559-S561 VanDerWaalsContact CE1-OG 3.31Å; H559-S561 PolarHBondContact ND1-OG 3.24Å; H559-S561 PolarHBondContact O-N 3.27Å
560P34.4Very low33.7Very low110 Ų110159.4 Ų159.471%0.71481%0.806SS**G310 helixtrans-66.6-1.8-167.4-20.232.1000116.3I562P560-I562 VanDerWaalsContact C-N 3.34Å; P560-I562 PolarHBondContact O-N 3.31Å
561S33.7Very low33.5Very low87 Ų87159.3 Ų159.361%0.60881%0.808SS**G310 helixtrans-77.7-14.9-174.1-420000114.4H559H559-S561 PolarHBondContact CE1-OG 3.18Å; H559-S561 VanDerWaalsContact CE1-OG 3.31Å; H559-S561 PolarHBondContact ND1-OG 3.24Å; H559-S561 PolarHBondContact O-N 3.27Å
562I32.7Very low33.3Very low134 Ų134161.9 Ų161.969%0.68782%0.816SS**G310 helixtrans-86.7-7.9-176.3-60176.5000112.2P560 K564P560-I562 VanDerWaalsContact C-N 3.34Å; P560-I562 PolarHBondContact O-N 3.31Å; I562-K564 VanDerWaalsContact C-N 3.28Å; I562-K564 PolarHBondContact O-N 2.74Å
563K31.5Very low33.2Very low185 Ų185164.3 Ų164.380%0.80482%0.818SS**G310 helixtrans-78.18.8-178.8-82.9-169.6175.4-176.80116.2
564K31.1Very low33.2Very low188 Ų188162.6 Ų162.682%0.81781%0.81SS**G310 helixtrans-100.48.4-171.2-103.4-174.3178.9-176.20118I562I562-K564 VanDerWaalsContact C-N 3.28Å; I562-K564 PolarHBondContact O-N 2.74Å
565W29Very low33.1Very low231 Ų231161 Ų16188%0.87581%0.81SS**SBendtrans-117.120.1-176.3-80.797.8000116.9
566T31.6Very low33Very low123 Ų123163.7 Ų163.776%0.75581%0.812SS**  trans-107.118.3-179.645.20000116.5
567W31.4Very low32.7Very low231 Ų231167.8 Ų167.888%0.87582%0.817SS**  trans-110.451-178.8-82.3100.1000115.3
568L30.1Very low32.3Very low163 Ų163166.2 Ų166.285%0.85381%0.812SS**  trans-131.632.6169.3-87.2167.6000113.5
569R30.9Very low32.3Very low248 Ų248167.7 Ų167.794%0.93682%0.815SS**  trans-133.579.2163.2-78.2-169-174.6-174.22110.4
570S38.5Very low32.3Very low174 Ų174170.4 Ų170.4100%1.21783%0.831SS**  trans-126.80145.459.30000105.2

Retrieved 570 of 570 residues in 173.6 ms (Link to these results)

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