A0A087XH23_POEFO Loading...

Ceramide synthase 2

AlphaFold DB , UniProt , Accession A0A087XH23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 385 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M70.6Confident82.2Confident170 Ų170114 Ų11484%0.83755%0.551SS**  0-72.90-152.3-178.3-66.900113.7V3 E4 L5M1-V3 PolarHBondContact O-N 3.32Å; M1-E4 WeakPolarHBondContact CA-OE2 3.41Å; M1-E4 PolarHBondContact N-OE2 3.22Å; M1-E4 PolarHBondContact O-N 3.18Å; M1-L5 HydrophobicContact CG-CD1 4.24Å; M1-L5 WeakPolarHBondContact O-CB 3.42Å; M1-L5 WeakPolarHBondContact O-CG 3.41Å; M1-L5 PolarHBondContact O-N 2.88Å
2L77.1Confident82.6Confident154 Ų154112.2 Ų112.281%0.80654%0.541SS*.Hα-helixtrans-65.4-39-178.6-74.2172.4000113.7S6L2-S6 WeakPolarHBondContact O-CB 3.35Å; L2-S6 PolarHBondContact O-N 3.47Å
3V82Confident82.9Confident102 Ų102117 Ų11762%0.61855%0.55SS**Hα-helixtrans-67.5-47.7176.2177.80000110.9M1 L5 S6 E7M1-V3 PolarHBondContact O-N 3.32Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 3.45Å; V3-S6 CarbonylContact O-C 3.49Å; V3-S6 WeakPolarHBondContact O-CA 3.38Å; V3-S6 WeakPolarHBondContact O-CB 3.45Å; V3-S6 PolarHBondContact O-N 3.47Å; V3-S6 VanDerWaalsContact O-N 3.09Å; V3-E7 HydrophobicContact CG1-CG 4.42Å; V3-E7 WeakPolarHBondContact O-CG 3.3Å; V3-E7 PolarHBondContact O-N 3.41Å
4E81Confident83.1Confident129 Ų129110.7 Ų110.760%0.60352%0.522SS*.Hα-helixtrans-61.4-38.6176.6-66.8162.9147.600112.5M1 S6 W8M1-E4 WeakPolarHBondContact CA-OE2 3.41Å; M1-E4 PolarHBondContact N-OE2 3.22Å; M1-E4 PolarHBondContact O-N 3.18Å; E4-S6 VanDerWaalsContact C-N 3.35Å; E4-W8 VanDerWaalsContact O-CB 3.24Å; E4-W8 WeakPolarHBondContact O-CB 3.37Å; E4-W8 PolarHBondContact O-N 3.12Å
5L80.9Confident83.4Confident98 Ų98104 Ų10451%0.51349%0.49SS..Hα-helixtrans-65.7-39.1173.8-75.5169.7000111.5M1 V3 F9M1-L5 HydrophobicContact CG-CD1 4.24Å; M1-L5 WeakPolarHBondContact O-CB 3.42Å; M1-L5 WeakPolarHBondContact O-CG 3.41Å; M1-L5 PolarHBondContact O-N 2.88Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 3.45Å; L5-F9 WeakPolarHBondContact O-CB 3.32Å; L5-F9 PolarHBondContact O-N 3.17Å
6S83.4Confident83.5Confident57 Ų5797.6 Ų97.640%0.39946%0.46SS..Hα-helixtrans-64.2-49.9174.4178.30000111.1L2 V3 E4 W8 F9 W10L2-S6 WeakPolarHBondContact O-CB 3.35Å; L2-S6 PolarHBondContact O-N 3.47Å; V3-S6 CarbonylContact O-C 3.49Å; V3-S6 WeakPolarHBondContact O-CA 3.38Å; V3-S6 WeakPolarHBondContact O-CB 3.45Å; V3-S6 PolarHBondContact O-N 3.47Å; V3-S6 VanDerWaalsContact O-N 3.09Å; E4-S6 VanDerWaalsContact C-N 3.35Å; S6-W8 VanDerWaalsContact C-N 3.34Å; S6-W8 PolarHBondContact O-N 3.19Å; S6-F9 PolarHBondContact O-N 3.3Å; S6-W10 WeakPolarHBondContact O-CB 3.38Å; S6-W10 PolarHBondContact O-N 3.42Å
7E85.9Confident83.6Confident133 Ų13392.1 Ų92.162%0.62143%0.434SS*.Hα-helixtrans-61-41.9178-72.9180169.400112.2V3 Q11V3-E7 HydrophobicContact CG1-CG 4.42Å; V3-E7 WeakPolarHBondContact O-CG 3.3Å; V3-E7 PolarHBondContact O-N 3.41Å; E7-Q11 WeakPolarHBondContact O-CG 3.36Å; E7-Q11 PolarHBondContact O-N 3.3Å
8W87.7Confident83.5Confident142 Ų14296.7 Ų96.754%0.53846%0.455SS..Hα-helixtrans-63-45.3173.6175.483.1000111.9E4 S6 W10 Q11 L14E4-W8 VanDerWaalsContact O-CB 3.24Å; E4-W8 WeakPolarHBondContact O-CB 3.37Å; E4-W8 PolarHBondContact O-N 3.12Å; S6-W8 VanDerWaalsContact C-N 3.34Å; S6-W8 PolarHBondContact O-N 3.19Å; W8-W10 VanDerWaalsContact C-N 3.35Å; W8-W10 PolarHBondContact O-N 2.67Å; W8-Q11 WeakPolarHBondContact O-CB 3.39Å; W8-Q11 VanDerWaalsContact O-CG 3.24Å; W8-Q11 WeakPolarHBondContact O-CG 3.34Å; W8-Q11 PolarHBondContact O-N 2.88Å; W8-L14 WeakPolarHBondContact O-CD1 3.36Å
9F83.8Confident83.4Confident92 Ų9296.1 Ų96.140%0.40448%0.477SS..Hα-helixtrans-64.1-39.9179.8-177.4-94.6000111.3L5 S6 Q11 W15L5-F9 WeakPolarHBondContact O-CB 3.32Å; L5-F9 PolarHBondContact O-N 3.17Å; S6-F9 PolarHBondContact O-N 3.3Å; F9-Q11 VanDerWaalsContact C-N 3.27Å; F9-Q11 PolarHBondContact O-N 3.41Å; F9-W15 HydrophobicContact CD1-CZ2 4.07Å; F9-W15 HydrophobicContact CD2-CH2 4.43Å; F9-W15 AromaticContact CD2-CZ2 3.89Å; F9-W15 HydrophobicContact CD2-CZ2 3.89Å; F9-W15 HydrophobicContact CE1-CH2 4.27Å; F9-W15 AromaticContact CE1-CZ2 3.68Å; F9-W15 HydrophobicContact CE1-CZ2 3.68Å; F9-W15 AromaticContact CE2-CH2 3.65Å; F9-W15 HydrophobicContact CE2-CH2 3.65Å; F9-W15 AromaticContact CE2-CZ2 3.49Å; F9-W15 HydrophobicContact CE2-CZ2 3.49Å; F9-W15 VanDerWaalsContact CE2-CZ2 3.49Å; F9-W15 HydrophobicContact CG-CZ2 4.17Å; F9-W15 AromaticContact CZ-CH2 3.55Å; F9-W15 HydrophobicContact CZ-CH2 3.55Å; F9-W15 AromaticContact CZ-CZ2 3.37Å; F9-W15 HydrophobicContact CZ-CZ2 3.37Å; F9-W15 VanDerWaalsContact O-CE2 3.31Å; F9-W15 WeakPolarHBondContact O-CZ2 3.07Å; F9-W15 PolarHBondContact O-NE1 2.72Å
10W84.3Confident83.5Confident116 Ų11693.1 Ų93.144%0.43946%0.463SS..THydrogen-bonded Turntrans-8512-177.4-69.4111.4000114.6S6 W8 E12 W22S6-W10 WeakPolarHBondContact O-CB 3.38Å; S6-W10 PolarHBondContact O-N 3.42Å; W8-W10 VanDerWaalsContact C-N 3.35Å; W8-W10 PolarHBondContact O-N 2.67Å; W10-E12 PolarHBondContact O-N 2.86Å; W10-W22 AromaticContact CE3-CE2 3.92Å; W10-W22 AromaticContact CE3-CH2 3.89Å; W10-W22 HydrophobicContact CE3-CH2 3.89Å; W10-W22 AromaticContact CE3-CZ2 3.39Å; W10-W22 HydrophobicContact CE3-CZ2 3.39Å; W10-W22 AromaticContact CZ3-CH2 3.58Å; W10-W22 HydrophobicContact CZ3-CH2 3.58Å; W10-W22 AromaticContact CZ3-CZ2 3.62Å; W10-W22 HydrophobicContact CZ3-CZ2 3.62Å; W10-W22 HydrophobicContact CZ3-CZ3 4.33Å; W10-W22 PolarHBondContact O-NE1 2.96Å
11Q87.1Confident83.6Confident61 Ų6188.7 Ų88.729%0.28544%0.442SS..  trans-59.4127.1174.1-72.3179.2-0.900111.8E7 W8 F9 R13 L14E7-Q11 WeakPolarHBondContact O-CG 3.36Å; E7-Q11 PolarHBondContact O-N 3.3Å; W8-Q11 WeakPolarHBondContact O-CB 3.39Å; W8-Q11 VanDerWaalsContact O-CG 3.24Å; W8-Q11 WeakPolarHBondContact O-CG 3.34Å; W8-Q11 PolarHBondContact O-N 2.88Å; F9-Q11 VanDerWaalsContact C-N 3.27Å; F9-Q11 PolarHBondContact O-N 3.41Å; Q11-R13 VanDerWaalsContact C-N 3.3Å; Q11-R13 HydrophobicContact CB-CG 4.24Å; Q11-R13 PolarHBondContact O-N 3.24Å; Q11-R13 VanDerWaalsContact OE1-CZ 3.26Å; Q11-L14 HydrophobicContact CB-CD1 4.17Å; Q11-L14 HydrophobicContact CB-CG 4.25Å; Q11-L14 WeakPolarHBondContact O-CB 3.33Å; Q11-L14 PolarHBondContact O-N 3.48Å
12E87.6Confident84.4Confident92 Ų9283.8 Ų83.843%0.4341%0.414SS..Hα-helixtrans-57-40.6-174.9-64.5-178.4150.700113.1W10 L14 W15 F16 G21 W22W10-E12 PolarHBondContact O-N 2.86Å; E12-L14 PolarHBondContact O-N 2.81Å; E12-W15 PolarHBondContact O-N 2.75Å; E12-F16 PolarHBondContact O-N 3.41Å; E12-G21 WeakPolarHBondContact OE1-CA 3.37Å; E12-W22 HydrophobicContact CG-CG 4.42Å; E12-W22 PolarHBondContact OE1-N 2.71Å; E12-W22 VanDerWaalsContact OE1-N 3.07Å
13R86.2Confident84.8Confident175 Ų17579.1 Ų79.166%0.6640%0.397SS*.Hα-helixtrans-56.4-21.9177.569.5178179.2165.30.2114.9Q11Q11-R13 VanDerWaalsContact C-N 3.3Å; Q11-R13 HydrophobicContact CB-CG 4.24Å; Q11-R13 PolarHBondContact O-N 3.24Å; Q11-R13 VanDerWaalsContact OE1-CZ 3.26Å
14L86.4Confident84.9Confident29 Ų2976.2 Ų76.215%0.15238%0.378CS..Hα-helixtrans-78.6-28.9177.9-65.5175.8000111W8 Q11 E12 F300 G301W8-L14 WeakPolarHBondContact O-CD1 3.36Å; Q11-L14 HydrophobicContact CB-CD1 4.17Å; Q11-L14 HydrophobicContact CB-CG 4.25Å; Q11-L14 WeakPolarHBondContact O-CB 3.33Å; Q11-L14 PolarHBondContact O-N 3.48Å; E12-L14 PolarHBondContact O-N 2.81Å; L14-F300 HydrophobicContact CB-CB 4.43Å; L14-F300 HydrophobicContact CB-CD1 4.48Å; L14-F300 HydrophobicContact CD2-CB 4.15Å; L14-F300 HydrophobicContact CD2-CG 4.49Å; L14-F300 CarbonylContact O-C 3.58Å; L14-F300 VanDerWaalsContact O-CB 3.3Å; L14-F300 WeakPolarHBondContact O-CB 3.49Å; L14-G301 PolarHBondContact O-N 2.94Å
15W86.8Confident85.1Confident10 Ų1070.8 Ų70.84%0.03835%0.353CS..Hα-helixtrans-119.3-17.6-166.1-48.5109.7000114.1F9 E12 W22 F222 V226 F299 F300F9-W15 HydrophobicContact CD1-CZ2 4.07Å; F9-W15 HydrophobicContact CD2-CH2 4.43Å; F9-W15 AromaticContact CD2-CZ2 3.89Å; F9-W15 HydrophobicContact CD2-CZ2 3.89Å; F9-W15 HydrophobicContact CE1-CH2 4.27Å; F9-W15 AromaticContact CE1-CZ2 3.68Å; F9-W15 HydrophobicContact CE1-CZ2 3.68Å; F9-W15 AromaticContact CE2-CH2 3.65Å; F9-W15 HydrophobicContact CE2-CH2 3.65Å; F9-W15 AromaticContact CE2-CZ2 3.49Å; F9-W15 HydrophobicContact CE2-CZ2 3.49Å; F9-W15 VanDerWaalsContact CE2-CZ2 3.49Å; F9-W15 HydrophobicContact CG-CZ2 4.17Å; F9-W15 AromaticContact CZ-CH2 3.55Å; F9-W15 HydrophobicContact CZ-CH2 3.55Å; F9-W15 AromaticContact CZ-CZ2 3.37Å; F9-W15 HydrophobicContact CZ-CZ2 3.37Å; F9-W15 VanDerWaalsContact O-CE2 3.31Å; F9-W15 WeakPolarHBondContact O-CZ2 3.07Å; F9-W15 PolarHBondContact O-NE1 2.72Å; E12-W15 PolarHBondContact O-N 2.75Å; W15-W22 HydrophobicContact CB-CH2 4.26Å; W15-W22 HydrophobicContact CB-CZ2 4.05Å; W15-W22 AromaticContact CD1-CZ2 3.5Å; W15-W22 VanDerWaalsContact CD1-CZ2 3.5Å; W15-W22 HydrophobicContact CG-CH2 4.32Å; W15-W22 AromaticContact CG-CZ2 3.89Å; W15-W22 HydrophobicContact CG-CZ2 3.89Å; W15-F222 AromaticContact CE3-CE2 3.56Å; W15-F222 HydrophobicContact CE3-CE2 3.56Å; W15-F222 HydrophobicContact CE3-CZ 4.18Å; W15-F222 HydrophobicContact CZ3-CD2 4.37Å; W15-F222 AromaticContact CZ3-CE2 3.57Å; W15-F222 HydrophobicContact CZ3-CE2 3.57Å; W15-F222 HydrophobicContact CZ3-CZ 4.42Å; W15-V226 HydrophobicContact CB-CG1 4.06Å; W15-F299 VanDerWaalsContact C-CE2 3.47Å; W15-F299 WeakPolarHBondContact O-CE2 3.44Å; W15-F300 HydrophobicContact CE3-CD1 4.05Å; W15-F300 HydrophobicContact CE3-CE1 4.37Å; W15-F300 AromaticContact CH2-CD1 3.89Å; W15-F300 HydrophobicContact CH2-CD1 3.89Å; W15-F300 AromaticContact CH2-CE1 3.5Å; W15-F300 HydrophobicContact CH2-CE1 3.5Å; W15-F300 VanDerWaalsContact CH2-CE1 3.5Å; W15-F300 HydrophobicContact CZ2-CE1 4.44Å; W15-F300 AromaticContact CZ3-CD1 3.56Å; W15-F300 HydrophobicContact CZ3-CD1 3.56Å; W15-F300 AromaticContact CZ3-CE1 3.43Å; W15-F300 HydrophobicContact CZ3-CE1 3.43Å; W15-F300 VanDerWaalsContact CZ3-CE1 3.43Å
16F86.1Confident85.4Confident2 Ų272.2 Ų72.21%0.00936%0.358CS..SBendtrans-127.4155.4-178.1-62.7-81.3000111.7E12 L20 W22 L25 P171E12-F16 PolarHBondContact O-N 3.41Å; F16-L20 HydrophobicContact CB-CB 4.36Å; F16-L20 VanDerWaalsContact CB-O 3.31Å; F16-L20 WeakPolarHBondContact CB-O 3.28Å; F16-W22 AromaticContact CE2-CD2 3.51Å; F16-W22 HydrophobicContact CE2-CD2 3.51Å; F16-W22 AromaticContact CE2-CE2 3.6Å; F16-W22 AromaticContact CE2-CE3 3.53Å; F16-W22 HydrophobicContact CE2-CE3 3.53Å; F16-W22 HydrophobicContact CE2-CG 4.17Å; F16-W22 AromaticContact CE2-CH2 3.67Å; F16-W22 HydrophobicContact CE2-CH2 3.67Å; F16-W22 AromaticContact CE2-CZ2 3.68Å; F16-W22 HydrophobicContact CE2-CZ2 3.68Å; F16-W22 AromaticContact CE2-CZ3 3.61Å; F16-W22 HydrophobicContact CE2-CZ3 3.61Å; F16-W22 HydrophobicContact CZ-CD2 4.06Å; F16-W22 AromaticContact CZ-CE3 3.59Å; F16-W22 HydrophobicContact CZ-CE3 3.59Å; F16-W22 AromaticContact CZ-CH2 3.99Å; F16-W22 HydrophobicContact CZ-CH2 3.99Å; F16-W22 HydrophobicContact CZ-CZ2 4.44Å; F16-W22 AromaticContact CZ-CZ3 3.55Å; F16-W22 HydrophobicContact CZ-CZ3 3.55Å; F16-L25 HydrophobicContact CE1-CD1 3.81Å; F16-L25 HydrophobicContact CE1-CG 4.39Å; F16-L25 HydrophobicContact CZ-CD1 3.67Å; F16-L25 HydrophobicContact CZ-CG 4.48Å; F16-P171 HydrophobicContact CD1-CB 4.3Å; F16-P171 HydrophobicContact CE1-CB 4.37Å
17P85.2Confident85.6Confident4 Ų472.9 Ų72.93%0.02636%0.357CS..  trans-57.7160.9164.7-22.933.7000113.3G19 L20 F170 Y296 F299P17-G19 PolarHBondContact O-N 3.43Å; P17-L20 HydrophobicContact CB-CD1 4.2Å; P17-L20 HydrophobicContact CG-CD1 4.22Å; P17-L20 PolarHBondContact O-N 3.43Å; P17-F170 HydrophobicContact CG-CE1 4.01Å; P17-Y296 HydrophobicContact CB-CD1 3.31Å; P17-Y296 HydrophobicContact CB-CD2 4.25Å; P17-Y296 HydrophobicContact CB-CE1 3.88Å; P17-Y296 HydrophobicContact CB-CG 3.52Å; P17-Y296 HydrophobicContact CG-CD1 3.7Å; P17-Y296 HydrophobicContact CG-CD2 3.68Å; P17-Y296 HydrophobicContact CG-CE1 4.12Å; P17-Y296 HydrophobicContact CG-CE2 4.12Å; P17-Y296 HydrophobicContact CG-CG 3.45Å; P17-Y296 VanDerWaalsContact CG-CG 3.45Å; P17-F299 HydrophobicContact CG-CD1 4.3Å; P17-F299 HydrophobicContact CG-CE1 3.81Å; P17-F299 HydrophobicContact CG-CZ 4.45Å
18E81.9Confident85.6Confident174 Ų17471.3 Ų71.381%0.81335%0.345SS*.THydrogen-bonded Turntrans-57.2133.2174.5-67.2-173.3172.800111.9L20E18-L20 VanDerWaalsContact C-N 3.35Å
19G81.3Confident85.4Confident85 Ų8571.7 Ų71.788%0.87636%0.358SS*.THydrogen-bonded Turntrans84.42.6179.500000115.2P17P17-G19 PolarHBondContact O-N 3.43Å
20L84.3Confident85.3Confident36 Ų3671.3 Ų71.319%0.18838%0.379CS..  trans-124.9151.8176.5-66.4163.6000110.7F16 P17 E18 D24 P171 Y296F16-L20 HydrophobicContact CB-CB 4.36Å; F16-L20 VanDerWaalsContact CB-O 3.31Å; F16-L20 WeakPolarHBondContact CB-O 3.28Å; P17-L20 HydrophobicContact CB-CD1 4.2Å; P17-L20 HydrophobicContact CG-CD1 4.22Å; P17-L20 PolarHBondContact O-N 3.43Å; E18-L20 VanDerWaalsContact C-N 3.35Å; L20-D24 VanDerWaalsContact CA-OD2 3.27Å; L20-D24 WeakPolarHBondContact CA-OD2 3.28Å; L20-P171 HydrophobicContact CB-CG 4.25Å; L20-P171 HydrophobicContact CD1-CG 3.74Å; L20-P171 HydrophobicContact CD2-CG 4.13Å; L20-P171 HydrophobicContact CG-CG 4.26Å; L20-Y296 HydrophobicContact CD1-CE1 3.97Å
21G85.8Confident85.4Confident2 Ų271.5 Ų71.52%0.02138%0.38CS..  trans-160-170.8-17400000115.5E12 A23 D24E12-G21 WeakPolarHBondContact OE1-CA 3.37Å; G21-A23 PolarHBondContact O-N 3.47Å; G21-D24 PolarHBondContact N-OD2 2.85Å; G21-D24 WeakPolarHBondContact O-CB 3.37Å; G21-D24 PolarHBondContact O-N 3.4Å
22W87.8Confident85.6Confident67 Ų6771.9 Ų71.925%0.25439%0.386SS..G310 helixtrans-63.8-32.5-179.4-61.5112000111.9W10 E12 W15 F16 D24 L25 C225 V226W10-W22 AromaticContact CE3-CE2 3.92Å; W10-W22 AromaticContact CE3-CH2 3.89Å; W10-W22 HydrophobicContact CE3-CH2 3.89Å; W10-W22 AromaticContact CE3-CZ2 3.39Å; W10-W22 HydrophobicContact CE3-CZ2 3.39Å; W10-W22 AromaticContact CZ3-CH2 3.58Å; W10-W22 HydrophobicContact CZ3-CH2 3.58Å; W10-W22 AromaticContact CZ3-CZ2 3.62Å; W10-W22 HydrophobicContact CZ3-CZ2 3.62Å; W10-W22 HydrophobicContact CZ3-CZ3 4.33Å; W10-W22 PolarHBondContact O-NE1 2.96Å; E12-W22 HydrophobicContact CG-CG 4.42Å; E12-W22 PolarHBondContact OE1-N 2.71Å; E12-W22 VanDerWaalsContact OE1-N 3.07Å; W15-W22 HydrophobicContact CB-CH2 4.26Å; W15-W22 HydrophobicContact CB-CZ2 4.05Å; W15-W22 AromaticContact CD1-CZ2 3.5Å; W15-W22 VanDerWaalsContact CD1-CZ2 3.5Å; W15-W22 HydrophobicContact CG-CH2 4.32Å; W15-W22 AromaticContact CG-CZ2 3.89Å; W15-W22 HydrophobicContact CG-CZ2 3.89Å; F16-W22 AromaticContact CE2-CD2 3.51Å; F16-W22 HydrophobicContact CE2-CD2 3.51Å; F16-W22 AromaticContact CE2-CE2 3.6Å; F16-W22 AromaticContact CE2-CE3 3.53Å; F16-W22 HydrophobicContact CE2-CE3 3.53Å; F16-W22 HydrophobicContact CE2-CG 4.17Å; F16-W22 AromaticContact CE2-CH2 3.67Å; F16-W22 HydrophobicContact CE2-CH2 3.67Å; F16-W22 AromaticContact CE2-CZ2 3.68Å; F16-W22 HydrophobicContact CE2-CZ2 3.68Å; F16-W22 AromaticContact CE2-CZ3 3.61Å; F16-W22 HydrophobicContact CE2-CZ3 3.61Å; F16-W22 HydrophobicContact CZ-CD2 4.06Å; F16-W22 AromaticContact CZ-CE3 3.59Å; F16-W22 HydrophobicContact CZ-CE3 3.59Å; F16-W22 AromaticContact CZ-CH2 3.99Å; F16-W22 HydrophobicContact CZ-CH2 3.99Å; F16-W22 HydrophobicContact CZ-CZ2 4.44Å; F16-W22 AromaticContact CZ-CZ3 3.55Å; F16-W22 HydrophobicContact CZ-CZ3 3.55Å; W22-D24 PolarHBondContact O-N 2.68Å; W22-L25 HydrophobicContact CE3-CD1 4.49Å; W22-L25 PolarHBondContact O-N 2.74Å; W22-C225 WeakPolarHBondContact CZ3-O 3.33Å; W22-V226 HydrophobicContact CH2-CG1 4.44Å
23A85.8Confident85.7Confident55 Ų5567.7 Ų67.746%0.45537%0.367SS..G310 helixtrans-59.9-26.3176.100000112.1G21 L25 R28G21-A23 PolarHBondContact O-N 3.47Å; A23-L25 VanDerWaalsContact C-N 3.27Å; A23-L25 PolarHBondContact O-N 2.81Å; A23-R28 PolarHBondContact O-NH2 3.13Å
24D84.8Confident85.8Confident42 Ų4259.6 Ų59.623%0.22534%0.337CS..G310 helixtrans-72.1-21.8177.2-65.2-55000113L20 G21 W22 E26 R28L20-D24 VanDerWaalsContact CA-OD2 3.27Å; L20-D24 WeakPolarHBondContact CA-OD2 3.28Å; G21-D24 PolarHBondContact N-OD2 2.85Å; G21-D24 WeakPolarHBondContact O-CB 3.37Å; G21-D24 PolarHBondContact O-N 3.4Å; W22-D24 PolarHBondContact O-N 2.68Å; D24-E26 VanDerWaalsContact C-N 3.35Å; D24-R28 PolarHBondContact O-NH2 2.97Å
25L85.2Confident86Confident14 Ų1460.8 Ų60.87%0.07334%0.341CS..G310 helixtrans-94.415.7179.8-58.4-176.9000113.4F16 W22 A23 Y33 P171 N227F16-L25 HydrophobicContact CE1-CD1 3.81Å; F16-L25 HydrophobicContact CE1-CG 4.39Å; F16-L25 HydrophobicContact CZ-CD1 3.67Å; F16-L25 HydrophobicContact CZ-CG 4.48Å; W22-L25 HydrophobicContact CE3-CD1 4.49Å; W22-L25 PolarHBondContact O-N 2.74Å; A23-L25 VanDerWaalsContact C-N 3.27Å; A23-L25 PolarHBondContact O-N 2.81Å; L25-Y33 HydrophobicContact CD2-CD1 4.34Å; L25-Y33 WeakPolarHBondContact O-CB 3.25Å; L25-P171 WeakPolarHBondContact CD2-O 3.28Å; L25-N227 HydrophobicContact CD1-CB 4.1Å; L25-N227 HydrophobicContact CD2-CB 3.87Å
26E86.6Confident86Confident129 Ų12962.1 Ų62.160%0.60336%0.357SS*.SBendtrans-81.4134.4169.6-65.7-170.7166.700111.6D24 R28 Y33D24-E26 VanDerWaalsContact C-N 3.35Å; E26-R28 PolarHBondContact O-N 3.34Å; E26-R28 PolarHBondContact O-NE 3.1Å; E26-Y33 WeakPolarHBondContact O-CD2 3.5Å; E26-Y33 WeakPolarHBondContact O-CE2 3.48Å
27D88.3Confident86.2Confident71 Ų7170.1 Ų70.138%0.3839%0.387SS..  trans-57.7121178.7-62.1-14000109.9R31 V32 Y33 K35D27-R31 VanDerWaalsContact CA-O 3.3Å; D27-R31 WeakPolarHBondContact CA-O 3.44Å; D27-V32 WeakPolarHBondContact OD1-CA 3.24Å; D27-Y33 PolarHBondContact OD1-N 3.33Å; D27-K35 IonicContact OD1-NZ 2.75Å; D27-K35 WeakPolarHBondContact OD2-CE 3.39Å; D27-K35 IonicContact OD2-NZ 3.96Å; D27-K35 PolarHBondContact OD2-NZ 2.71Å
28R85.4Confident86.5Confident100 Ų10071.1 Ų71.138%0.37739%0.393SS..BIsolated β-bridgetrans-151.1155.5179.876.2-172.286.7-178.18.5110.1A23 D24 E26 G30 R31A23-R28 PolarHBondContact O-NH2 3.13Å; D24-R28 PolarHBondContact O-NH2 2.97Å; E26-R28 PolarHBondContact O-N 3.34Å; E26-R28 PolarHBondContact O-NE 3.1Å; R28-G30 PolarHBondContact O-N 3.4Å; R28-G30 VanDerWaalsContact O-N 3.09Å; R28-R31 PolarHBondContact N-O 2.86Å; R28-R31 WeakPolarHBondContact O-CB 3.31Å; R28-R31 PolarHBondContact O-N 2.96Å
29D83.4Confident87Confident150 Ų15064.5 Ų64.580%0.80236%0.362SS*.THydrogen-bonded Turntrans53.434.8174-51.6-41000113.9R31D29-R31 PolarHBondContact O-N 3.18Å
30G82Confident87.6Confident83 Ų8369.2 Ų69.286%0.85635%0.354SS*.THydrogen-bonded Turntrans72.34.8-177.200000115R28R28-G30 PolarHBondContact O-N 3.4Å; R28-G30 VanDerWaalsContact O-N 3.09Å
31R85.6Confident88.1Confident121 Ų12169.9 Ų69.946%0.45736%0.359SS..BIsolated β-bridgetrans-90.1132.9173.2-58.9-178.4-177.9-159.92.5109.9D27 R28 D29 Y33 T174D27-R31 VanDerWaalsContact CA-O 3.3Å; D27-R31 WeakPolarHBondContact CA-O 3.44Å; R28-R31 PolarHBondContact N-O 2.86Å; R28-R31 WeakPolarHBondContact O-CB 3.31Å; R28-R31 PolarHBondContact O-N 2.96Å; D29-R31 PolarHBondContact O-N 3.18Å; R31-Y33 HydrophobicContact CB-CE2 4.02Å; R31-Y33 WeakPolarHBondContact CB-OH 3.48Å; R31-Y33 WeakPolarHBondContact CD-OH 3.44Å; R31-T174 HydrophobicContact CB-CG2 4.23Å; R31-T174 HydrophobicContact CG-CG2 4.49Å
32V90.4Very high88.5Confident69 Ų6970.1 Ų70.142%0.41836%0.361SS..  trans-106.7139.2174.7-177.20000108.6D27 L175D27-V32 WeakPolarHBondContact OD1-CA 3.24Å; V32-L175 HydrophobicContact CG1-CD2 4.45Å; V32-L175 WeakPolarHBondContact O-CB 3.48Å; V32-L175 PolarHBondContact O-N 2.97Å
33Y90.3Very high88.9Confident4 Ų470.7 Ų70.72%0.01637%0.369CS..  trans-120.2158.8176.7-56.3-76.7000111.6L25 E26 D27 R31 V172 L173L25-Y33 HydrophobicContact CD2-CD1 4.34Å; L25-Y33 WeakPolarHBondContact O-CB 3.25Å; E26-Y33 WeakPolarHBondContact O-CD2 3.5Å; E26-Y33 WeakPolarHBondContact O-CE2 3.48Å; D27-Y33 PolarHBondContact OD1-N 3.33Å; R31-Y33 HydrophobicContact CB-CE2 4.02Å; R31-Y33 WeakPolarHBondContact CB-OH 3.48Å; R31-Y33 WeakPolarHBondContact CD-OH 3.44Å; Y33-V172 HydrophobicContact CE1-CB 4.46Å; Y33-V172 HydrophobicContact CE1-CG1 3.61Å; Y33-V172 WeakPolarHBondContact OH-CG1 3.34Å; Y33-L173 WeakPolarHBondContact CD1-O 3.25Å
34A89.2Confident89.4Confident4 Ų471.4 Ų71.43%0.03337%0.369CS..  trans-66.1130.6175.800000110.9W224 I229A34-W224 HydrophobicContact CB-CD2 3.78Å; A34-W224 VanDerWaalsContact CB-CE2 3.49Å; A34-W224 HydrophobicContact CB-CE3 4.28Å; A34-W224 HydrophobicContact CB-CG 4.16Å; A34-W224 HydrophobicContact CB-CH2 4.25Å; A34-W224 HydrophobicContact CB-CZ2 3.76Å; A34-W224 VanDerWaalsContact CB-O 3.3Å; A34-W224 WeakPolarHBondContact CB-O 3.49Å; A34-I229 HydrophobicContact CB-CD1 3.9Å; A34-I229 HydrophobicContact CB-CG1 4.28Å
35K89.3Confident90Very high55 Ų5570.8 Ų70.824%0.23937%0.365CS..  trans-113.6138.5178.5-60.3174.1-174.3174.10109.5D27 R37 D38 W224D27-K35 IonicContact OD1-NZ 2.75Å; D27-K35 WeakPolarHBondContact OD2-CE 3.39Å; D27-K35 IonicContact OD2-NZ 3.96Å; D27-K35 PolarHBondContact OD2-NZ 2.71Å; K35-R37 HydrophobicContact CB-CG 3.92Å; K35-R37 PolarHBondContact O-N 3.44Å; K35-R37 VanDerWaalsContact O-N 3.08Å; K35-D38 WeakPolarHBondContact CB-OD2 3.25Å; K35-D38 PolarHBondContact N-OD2 2.96Å; K35-D38 VanDerWaalsContact O-CB 3.28Å; K35-D38 WeakPolarHBondContact O-CB 3.32Å; K35-D38 VanDerWaalsContact O-CG 3.27Å; K35-D38 PolarHBondContact O-N 3.37Å; K35-W224 PolarHBondContact O-NE1 3.37Å
36G86.8Confident90.5Very high37 Ų3770.2 Ų70.238%0.38136%0.362SS..G310 helixtrans-55.9-30.5177.900000113.3D38 L39G36-D38 PolarHBondContact O-N 3.39Å; G36-L39 WeakPolarHBondContact O-CB 3.03Å; G36-L39 WeakPolarHBondContact O-CG 3.31Å; G36-L39 PolarHBondContact O-N 3.37Å
37R90Very high91Very high170 Ų17068.8 Ų68.864%0.64236%0.358SS*.G310 helixtrans-63-23.9175.872-175.1-178-175.42.1113.9K35 L39 W40K35-R37 HydrophobicContact CB-CG 3.92Å; K35-R37 PolarHBondContact O-N 3.44Å; K35-R37 VanDerWaalsContact O-N 3.08Å; R37-L39 PolarHBondContact O-N 3.06Å; R37-W40 WeakPolarHBondContact O-CB 3.34Å; R37-W40 PolarHBondContact O-N 2.9Å
38D91.9Very high91.4Very high26 Ų2669 Ų6914%0.13936%0.362CS..G310 helixtrans-68-25.4-178.5-54.3-31.1000111K35 G36 W40 V41 Y180 M184 W224K35-D38 WeakPolarHBondContact CB-OD2 3.25Å; K35-D38 PolarHBondContact N-OD2 2.96Å; K35-D38 VanDerWaalsContact O-CB 3.28Å; K35-D38 WeakPolarHBondContact O-CB 3.32Å; K35-D38 VanDerWaalsContact O-CG 3.27Å; K35-D38 PolarHBondContact O-N 3.37Å; G36-D38 PolarHBondContact O-N 3.39Å; D38-W40 PolarHBondContact O-N 3.19Å; D38-W40 VanDerWaalsContact O-N 3.13Å; D38-V41 VanDerWaalsContact O-CB 3.22Å; D38-V41 WeakPolarHBondContact O-CB 3.34Å; D38-V41 WeakPolarHBondContact O-CG2 3.47Å; D38-V41 PolarHBondContact O-N 3.45Å; D38-Y180 HydrophobicContact CB-CE2 3.94Å; D38-M184 HydrophobicContact CB-CE 3.76Å; D38-W224 HydrophobicContact CB-CZ2 4.03Å
39L93.4Very high91.9Very high34 Ų3465.6 Ų65.618%0.17835%0.35CS..G310 helixtrans-60.7-23.4176.5-61179.7000113G36 R37 V41 A42 L187 W224G36-L39 WeakPolarHBondContact O-CB 3.03Å; G36-L39 WeakPolarHBondContact O-CG 3.31Å; G36-L39 PolarHBondContact O-N 3.37Å; R37-L39 PolarHBondContact O-N 3.06Å; L39-V41 PolarHBondContact O-N 2.91Å; L39-A42 WeakPolarHBondContact O-CB 2.97Å; L39-A42 PolarHBondContact O-N 2.79Å; L39-L187 HydrophobicContact CD2-CD2 3.56Å; L39-W224 HydrophobicContact CD2-CB 3.91Å; L39-W224 HydrophobicContact CD2-CG 3.77Å; L39-W224 HydrophobicContact CG-CG 4.42Å
40W93.3Very high92.5Very high184 Ų18461.1 Ų61.170%0.69733%0.326SS*.G310 helixtrans-62.6-22173.5-72.3109.6000112.9R37 D38 A42 L43 P44R37-W40 WeakPolarHBondContact O-CB 3.34Å; R37-W40 PolarHBondContact O-N 2.9Å; D38-W40 PolarHBondContact O-N 3.19Å; D38-W40 VanDerWaalsContact O-N 3.13Å; W40-A42 VanDerWaalsContact C-N 3.27Å; W40-A42 PolarHBondContact O-N 3.22Å; W40-L43 HydrophobicContact CE3-CD1 3.61Å; W40-L43 HydrophobicContact CZ3-CD1 3.62Å; W40-L43 PolarHBondContact O-N 2.98Å; W40-P44 WeakPolarHBondContact O-CD 3.18Å
41V95.1Very high93.2Very high50 Ų5062.3 Ų62.330%0.30331%0.311SS..G310 helixtrans-69-26.2175.1-179.50000111.7D38 L39 L43 P44 I45 M184D38-V41 VanDerWaalsContact O-CB 3.22Å; D38-V41 WeakPolarHBondContact O-CB 3.34Å; D38-V41 WeakPolarHBondContact O-CG2 3.47Å; D38-V41 PolarHBondContact O-N 3.45Å; L39-V41 PolarHBondContact O-N 2.91Å; V41-L43 VanDerWaalsContact C-N 3.29Å; V41-L43 PolarHBondContact O-N 3.02Å; V41-P44 WeakPolarHBondContact O-CD 3.43Å; V41-P44 VanDerWaalsContact O-CG 3.25Å; V41-P44 WeakPolarHBondContact O-CG 3.47Å; V41-I45 HydrophobicContact CG1-CD1 3.78Å; V41-I45 HydrophobicContact CG1-CG1 4.34Å; V41-I45 VanDerWaalsContact O-CG1 3.29Å; V41-I45 WeakPolarHBondContact O-CG1 3.1Å; V41-I45 PolarHBondContact O-N 3.1Å; V41-M184 HydrophobicContact CB-SD 4.48Å
42A94.9Very high93.7Very high7 Ų760 Ų606%0.05831%0.308CS..Hα-helixtrans-66.4-29.4178.700000113L39 W40 I45 A46 L187 G188L39-A42 WeakPolarHBondContact O-CB 2.97Å; L39-A42 PolarHBondContact O-N 2.79Å; W40-A42 VanDerWaalsContact C-N 3.27Å; W40-A42 PolarHBondContact O-N 3.22Å; A42-I45 PolarHBondContact O-N 3.36Å; A42-A46 WeakPolarHBondContact O-CB 3.18Å; A42-A46 PolarHBondContact O-N 3.17Å; A42-L187 HydrophobicContact CB-CB 4.03Å; A42-L187 HydrophobicContact CB-CD2 3.67Å; A42-L187 HydrophobicContact CB-CG 3.65Å; A42-G188 WeakPolarHBondContact O-CA 3.43Å
43L94.3Very high93.9Very high80 Ų8057.8 Ų57.842%0.41929%0.292SS..Hα-helixtrans-64.7-54.5178.6-67.1-177.4000113.7W40 V41 I45 A46 L47 F195W40-L43 HydrophobicContact CE3-CD1 3.61Å; W40-L43 HydrophobicContact CZ3-CD1 3.62Å; W40-L43 PolarHBondContact O-N 2.98Å; V41-L43 VanDerWaalsContact C-N 3.29Å; V41-L43 PolarHBondContact O-N 3.02Å; L43-I45 VanDerWaalsContact C-N 3.26Å; L43-I45 PolarHBondContact O-N 3.37Å; L43-A46 WeakPolarHBondContact O-CB 3.47Å; L43-A46 PolarHBondContact O-N 3.22Å; L43-L47 WeakPolarHBondContact O-CG 3.29Å; L43-L47 PolarHBondContact O-N 2.82Å; L43-L47 VanDerWaalsContact O-N 3.09Å; L43-F195 HydrophobicContact CD2-CZ 4.24Å
44P96.7Very high94.1Very high70 Ų7061.8 Ų61.846%0.45531%0.31SS..Hα-helixtrans-62.1-35.4175.123.6-32.3000111.6W40 V41 A46 L47 V48W40-P44 WeakPolarHBondContact O-CD 3.18Å; V41-P44 WeakPolarHBondContact O-CD 3.43Å; V41-P44 VanDerWaalsContact O-CG 3.25Å; V41-P44 WeakPolarHBondContact O-CG 3.47Å; P44-A46 VanDerWaalsContact C-N 3.35Å; P44-A46 PolarHBondContact O-N 3.21Å; P44-L47 PolarHBondContact O-N 2.85Å; P44-V48 VanDerWaalsContact O-CG2 3.3Å; P44-V48 WeakPolarHBondContact O-CG2 3.19Å; P44-V48 PolarHBondContact O-N 3.17Å
45I97.3Very high94.5Very high29 Ų2966.2 Ų66.215%0.14933%0.333CS..Hα-helixtrans-59.8-45.2173.4-68.3174.2000110.8V41 A42 L43 L47 V48 F49 W181 M184V41-I45 HydrophobicContact CG1-CD1 3.78Å; V41-I45 HydrophobicContact CG1-CG1 4.34Å; V41-I45 VanDerWaalsContact O-CG1 3.29Å; V41-I45 WeakPolarHBondContact O-CG1 3.1Å; V41-I45 PolarHBondContact O-N 3.1Å; A42-I45 PolarHBondContact O-N 3.36Å; L43-I45 VanDerWaalsContact C-N 3.26Å; L43-I45 PolarHBondContact O-N 3.37Å; I45-L47 VanDerWaalsContact C-N 3.34Å; I45-L47 PolarHBondContact O-N 3.44Å; I45-V48 PolarHBondContact O-N 3Å; I45-F49 HydrophobicContact CG2-CD2 3.64Å; I45-F49 HydrophobicContact CG2-CE2 3.48Å; I45-F49 VanDerWaalsContact CG2-CE2 3.48Å; I45-F49 WeakPolarHBondContact O-CD2 3.33Å; I45-F49 PolarHBondContact O-N 3.37Å; I45-W181 HydrophobicContact CD1-CZ3 4.44Å; I45-M184 HydrophobicContact CD1-CB 3.93Å
46A96.4Very high94.8Very high1 Ų164.9 Ų64.91%0.00833%0.327CS..Hα-helixtrans-59.9-42.7177.600000112.4A42 L43 P44 F49 L50 G188 S192 F195A42-A46 WeakPolarHBondContact O-CB 3.18Å; A42-A46 PolarHBondContact O-N 3.17Å; L43-A46 WeakPolarHBondContact O-CB 3.47Å; L43-A46 PolarHBondContact O-N 3.22Å; P44-A46 VanDerWaalsContact C-N 3.35Å; P44-A46 PolarHBondContact O-N 3.21Å; A46-F49 PolarHBondContact O-N 3.45Å; A46-L50 WeakPolarHBondContact O-CG 3.43Å; A46-L50 PolarHBondContact O-N 3.4Å; A46-L50 VanDerWaalsContact O-N 3.14Å; A46-G188 VanDerWaalsContact CA-O 3.22Å; A46-G188 WeakPolarHBondContact CA-O 3.33Å; A46-G188 WeakPolarHBondContact CB-O 3.42Å; A46-S192 WeakPolarHBondContact O-CB 3.36Å; A46-F195 HydrophobicContact CB-CD2 4.23Å; A46-F195 HydrophobicContact CB-CE2 3.91Å
47L96.1Very high95.2Very high99 Ų9964.2 Ų64.252%0.51831%0.314SS..Hα-helixtrans-65.3-41176.2-64.6178.2000111.9L43 P44 I45 F49 L50 I51L43-L47 WeakPolarHBondContact O-CG 3.29Å; L43-L47 PolarHBondContact O-N 2.82Å; L43-L47 VanDerWaalsContact O-N 3.09Å; P44-L47 PolarHBondContact O-N 2.85Å; I45-L47 VanDerWaalsContact C-N 3.34Å; I45-L47 PolarHBondContact O-N 3.44Å; L47-F49 VanDerWaalsContact C-N 3.32Å; L47-F49 PolarHBondContact O-N 3.19Å; L47-L50 HydrophobicContact CD2-CD1 4.36Å; L47-L50 WeakPolarHBondContact O-CB 3.48Å; L47-L50 PolarHBondContact O-N 2.86Å; L47-I51 PolarHBondContact O-N 2.84Å
48V97.1Very high95.4Very high76 Ų7664.1 Ų64.146%0.46131%0.314SS..Hα-helixtrans-61.2-42.6174.3168.80000110.5P44 I45 L50 I51 I52P44-V48 VanDerWaalsContact O-CG2 3.3Å; P44-V48 WeakPolarHBondContact O-CG2 3.19Å; P44-V48 PolarHBondContact O-N 3.17Å; I45-V48 PolarHBondContact O-N 3Å; V48-L50 VanDerWaalsContact C-N 3.3Å; V48-L50 PolarHBondContact O-N 3.19Å; V48-I51 PolarHBondContact O-N 3.05Å; V48-I51 VanDerWaalsContact O-N 3.1Å; V48-I52 HydrophobicContact CG1-CD1 3.58Å; V48-I52 HydrophobicContact CG1-CG1 4.09Å; V48-I52 WeakPolarHBondContact O-CG1 3.3Å; V48-I52 PolarHBondContact O-N 3.1Å
49F97.3Very high95.5Very high28 Ų2867 Ų6712%0.12333%0.332CS..Hα-helixtrans-60.2-36.9175.4-87.9-58.6000113.3I45 A46 L47 I51 I52 R53 W138 F142 I185 F189I45-F49 HydrophobicContact CG2-CD2 3.64Å; I45-F49 HydrophobicContact CG2-CE2 3.48Å; I45-F49 VanDerWaalsContact CG2-CE2 3.48Å; I45-F49 WeakPolarHBondContact O-CD2 3.33Å; I45-F49 PolarHBondContact O-N 3.37Å; A46-F49 PolarHBondContact O-N 3.45Å; L47-F49 VanDerWaalsContact C-N 3.32Å; L47-F49 PolarHBondContact O-N 3.19Å; F49-I51 VanDerWaalsContact C-N 3.32Å; F49-I51 PolarHBondContact O-N 3.1Å; F49-I52 PolarHBondContact O-N 3.11Å; F49-R53 WeakPolarHBondContact O-CB 3.35Å; F49-R53 PolarHBondContact O-N 3.25Å; F49-W138 AromaticContact CD1-CH2 3.98Å; F49-W138 HydrophobicContact CD1-CH2 3.98Å; F49-W138 AromaticContact CD1-CZ2 3.8Å; F49-W138 HydrophobicContact CD1-CZ2 3.8Å; F49-F142 AromaticContact CE1-CD2 3.94Å; F49-F142 HydrophobicContact CE1-CD2 3.94Å; F49-F142 AromaticContact CE1-CE2 3.99Å; F49-F142 HydrophobicContact CE1-CE2 3.99Å; F49-F142 HydrophobicContact CE2-CE2 4.33Å; F49-F142 HydrophobicContact CZ-CD2 4.09Å; F49-F142 AromaticContact CZ-CE2 3.65Å; F49-F142 HydrophobicContact CZ-CE2 3.65Å; F49-I185 HydrophobicContact CE2-CG2 4.15Å; F49-I185 HydrophobicContact CZ-CG2 3.89Å; F49-F189 HydrophobicContact CD1-CD2 4.31Å; F49-F189 HydrophobicContact CD2-CB 4.18Å; F49-F189 HydrophobicContact CE1-CD2 4.46Å; F49-F189 HydrophobicContact CE2-CB 4Å; F49-F189 HydrophobicContact CG-CD2 4.42Å; F49-F189 HydrophobicContact CZ-CB 4.42Å
50L95.1Very high95.7Very high56 Ų5668.6 Ų68.629%0.29334%0.343SS..Hα-helixtrans-63-39.8174.4-66.1175.2000112A46 L47 V48 Q54 F195A46-L50 WeakPolarHBondContact O-CG 3.43Å; A46-L50 PolarHBondContact O-N 3.4Å; A46-L50 VanDerWaalsContact O-N 3.14Å; L47-L50 HydrophobicContact CD2-CD1 4.36Å; L47-L50 WeakPolarHBondContact O-CB 3.48Å; L47-L50 PolarHBondContact O-N 2.86Å; V48-L50 VanDerWaalsContact C-N 3.3Å; V48-L50 PolarHBondContact O-N 3.19Å; L50-Q54 PolarHBondContact O-N 2.75Å; L50-F195 HydrophobicContact CD1-CB 4.1Å; L50-F195 HydrophobicContact CD1-CD2 4.31Å
51I96.1Very high95.7Very high108 Ų10859.9 Ų59.955%0.55431%0.31SS*.Hα-helixtrans-67.8-49176.6-62.2169.1000110.2L47 V48 F49 R53 Q54 I55L47-I51 PolarHBondContact O-N 2.84Å; V48-I51 PolarHBondContact O-N 3.05Å; V48-I51 VanDerWaalsContact O-N 3.1Å; F49-I51 VanDerWaalsContact C-N 3.32Å; F49-I51 PolarHBondContact O-N 3.1Å; I51-R53 VanDerWaalsContact C-N 3.3Å; I51-R53 PolarHBondContact O-N 3.1Å; I51-Q54 PolarHBondContact O-N 3.27Å; I51-Q54 VanDerWaalsContact O-N 3.17Å; I51-I55 HydrophobicContact CG2-CD1 4.03Å; I51-I55 WeakPolarHBondContact O-CG1 3.45Å; I51-I55 PolarHBondContact O-N 3.45Å; I51-I55 VanDerWaalsContact O-N 3.1Å
52I96.6Very high95.6Very high74 Ų7459.3 Ų59.338%0.37931%0.307SS..Hα-helixtrans-59.8-43.3179.1-65.1173000110.2V48 F49 Q54 I55 F56 W138V48-I52 HydrophobicContact CG1-CD1 3.58Å; V48-I52 HydrophobicContact CG1-CG1 4.09Å; V48-I52 WeakPolarHBondContact O-CG1 3.3Å; V48-I52 PolarHBondContact O-N 3.1Å; F49-I52 PolarHBondContact O-N 3.11Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 3.04Å; I52-I55 PolarHBondContact O-N 3.05Å; I52-I55 VanDerWaalsContact O-N 3.17Å; I52-F56 VanDerWaalsContact O-CB 3.32Å; I52-F56 WeakPolarHBondContact O-CB 3.39Å; I52-F56 PolarHBondContact O-N 3.01Å; I52-W138 HydrophobicContact CB-CH2 4.01Å; I52-W138 HydrophobicContact CG2-CH2 3.51Å; I52-W138 HydrophobicContact CG2-CZ3 3.72Å
53R95.4Very high95.6Very high21 Ų2162.5 Ų62.58%0.07933%0.327CS..Hα-helixtrans-53.9-49.3175.6178.5176175.3-176.7-7.6111.2F49 I51 I55 F56 E57 E135 W138 S196 D200F49-R53 WeakPolarHBondContact O-CB 3.35Å; F49-R53 PolarHBondContact O-N 3.25Å; I51-R53 VanDerWaalsContact C-N 3.3Å; I51-R53 PolarHBondContact O-N 3.1Å; R53-I55 VanDerWaalsContact C-N 3.3Å; R53-I55 PolarHBondContact O-N 2.63Å; R53-F56 PolarHBondContact O-N 2.8Å; R53-E57 HydrophobicContact CG-CG 4.25Å; R53-E57 WeakPolarHBondContact CG-OE1 3.36Å; R53-E57 IonicContact CZ-OE1 2.74Å; R53-E57 IonicContact NE-OE1 2.8Å; R53-E57 PolarHBondContact NE-OE1 3.25Å; R53-E57 IonicContact NH2-OE1 2.69Å; R53-E57 PolarHBondContact NH2-OE1 3.2Å; R53-E57 WeakPolarHBondContact O-CB 3.29Å; R53-E57 WeakPolarHBondContact O-CG 3.31Å; R53-E57 PolarHBondContact O-N 3.33Å; R53-E135 IonicContact NH2-OE1 2.79Å; R53-W138 HydrophobicContact CB-CD2 3.94Å; R53-W138 HydrophobicContact CB-CE3 4.44Å; R53-W138 HydrophobicContact CB-CG 4.41Å; R53-W138 HydrophobicContact CB-CH2 4.27Å; R53-W138 HydrophobicContact CB-CZ2 3.76Å; R53-W138 HydrophobicContact CG-CD2 3.89Å; R53-W138 HydrophobicContact CG-CG 3.84Å; R53-S196 VanDerWaalsContact NH1-CB 3.34Å; R53-S196 PolarHBondContact NH1-OG 3.48Å; R53-D200 IonicContact CZ-OD1 3.89Å; R53-D200 VanDerWaalsContact CZ-OD1 3.27Å; R53-D200 IonicContact NH1-OD1 2.8Å; R53-D200 PolarHBondContact NH1-OD1 3.1Å; R53-D200 IonicContact NH1-OD2 3.01Å; R53-D200 PolarHBondContact NH1-OD2 3.23Å; R53-D200 IonicContact NH2-OD1 2.63Å; R53-D200 PolarHBondContact NH2-OD1 2.89Å; R53-D200 IonicContact NH2-OD2 2.98Å
54Q94.4Very high95.6Very high88 Ų8861.2 Ų61.241%0.41132%0.32SS..Hα-helixtrans-63.6-37.2-178.8-170.964.36.400112.6L50 I51 I52 R58L50-Q54 PolarHBondContact O-N 2.75Å; I51-Q54 PolarHBondContact O-N 3.27Å; I51-Q54 VanDerWaalsContact O-N 3.17Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 3.04Å; Q54-R58 WeakPolarHBondContact O-CG 3.26Å; Q54-R58 PolarHBondContact O-N 3.41Å
55I96.6Very high95.5Very high98 Ų9858 Ų5850%0.50330%0.299SS..Hα-helixtrans-67.3-48.2174.8-64.5169000109.8I51 I52 R53 R58 T59I51-I55 HydrophobicContact CG2-CD1 4.03Å; I51-I55 WeakPolarHBondContact O-CG1 3.45Å; I51-I55 PolarHBondContact O-N 3.45Å; I51-I55 VanDerWaalsContact O-N 3.1Å; I52-I55 PolarHBondContact O-N 3.05Å; I52-I55 VanDerWaalsContact O-N 3.17Å; R53-I55 VanDerWaalsContact C-N 3.3Å; R53-I55 PolarHBondContact O-N 2.63Å; I55-R58 PolarHBondContact O-N 2.79Å; I55-T59 HydrophobicContact CG2-CG2 4.17Å; I55-T59 WeakPolarHBondContact O-CB 3.48Å; I55-T59 WeakPolarHBondContact O-CG2 3.49Å; I55-T59 PolarHBondContact O-N 3.04Å; I55-T59 PolarHBondContact O-OG1 3.22Å
56F96.8Very high95.2Very high26 Ų2661.1 Ų61.111%0.11432%0.324CS..Hα-helixtrans-60.3-47.5-179.1-179.9-87.1000112.1I52 R53 R58 T59 V60 A61 W138 T141I52-F56 VanDerWaalsContact O-CB 3.32Å; I52-F56 WeakPolarHBondContact O-CB 3.39Å; I52-F56 PolarHBondContact O-N 3.01Å; R53-F56 PolarHBondContact O-N 2.8Å; F56-R58 PolarHBondContact O-N 3.37Å; F56-T59 PolarHBondContact O-N 2.88Å; F56-V60 HydrophobicContact CD2-CB 3.87Å; F56-V60 HydrophobicContact CD2-CG1 4.24Å; F56-V60 HydrophobicContact CD2-CG2 3.97Å; F56-V60 HydrophobicContact CE2-CB 3.78Å; F56-V60 HydrophobicContact CE2-CG1 3.63Å; F56-V60 HydrophobicContact CE2-CG2 4.16Å; F56-V60 HydrophobicContact CG-CB 4.3Å; F56-V60 HydrophobicContact CZ-CB 4.13Å; F56-V60 HydrophobicContact CZ-CG1 3.83Å; F56-V60 WeakPolarHBondContact O-CA 3.41Å; F56-V60 WeakPolarHBondContact O-CB 3.22Å; F56-V60 PolarHBondContact O-N 2.93Å; F56-A61 HydrophobicContact CD1-CB 4.22Å; F56-A61 HydrophobicContact CE1-CB 3.93Å; F56-A61 PolarHBondContact O-N 3.44Å; F56-W138 HydrophobicContact CB-CE3 3.69Å; F56-W138 HydrophobicContact CB-CZ3 3.81Å; F56-W138 HydrophobicContact CD1-CB 4.1Å; F56-W138 HydrophobicContact CD1-CD2 4.48Å; F56-W138 AromaticContact CD1-CE3 3.65Å; F56-W138 HydrophobicContact CD1-CE3 3.65Å; F56-W138 HydrophobicContact CD1-CZ3 4.5Å; F56-W138 HydrophobicContact CD2-CE3 4.19Å; F56-W138 HydrophobicContact CD2-CZ3 4.34Å; F56-W138 HydrophobicContact CE1-CB 4.25Å; F56-W138 HydrophobicContact CE1-CE3 4.34Å; F56-W138 AromaticContact CG-CE3 3.57Å; F56-W138 HydrophobicContact CG-CE3 3.57Å; F56-W138 AromaticContact CG-CZ3 3.97Å; F56-W138 HydrophobicContact CG-CZ3 3.97Å; F56-T141 HydrophobicContact CE2-CG2 4.08Å; F56-T141 HydrophobicContact CZ-CG2 4.37Å; F56-T141 VanDerWaalsContact CZ-OG1 3.22Å; F56-T141 WeakPolarHBondContact CZ-OG1 3.38Å
57E94.3Very high95Very high24 Ų2467.8 Ų67.811%0.11236%0.359CS..Iπ-helixtrans-59.6-36.2-179.1-73.8-173.2-170.700111.8R53 T62 R134R53-E57 HydrophobicContact CG-CG 4.25Å; R53-E57 WeakPolarHBondContact CG-OE1 3.36Å; R53-E57 IonicContact CZ-OE1 2.74Å; R53-E57 IonicContact NE-OE1 2.8Å; R53-E57 PolarHBondContact NE-OE1 3.25Å; R53-E57 IonicContact NH2-OE1 2.69Å; R53-E57 PolarHBondContact NH2-OE1 3.2Å; R53-E57 WeakPolarHBondContact O-CB 3.29Å; R53-E57 WeakPolarHBondContact O-CG 3.31Å; R53-E57 PolarHBondContact O-N 3.33Å; E57-T62 PolarHBondContact O-N 3.43Å; E57-T62 PolarHBondContact O-OG1 2.92Å; E57-R134 HydrophobicContact CB-CB 4.27Å; E57-R134 HydrophobicContact CB-CG 4.45Å; E57-R134 HydrophobicContact CG-CB 4.01Å
58R93.3Very high94.8Very high168 Ų16864.3 Ų64.363%0.63434%0.341SS*.Iπ-helixtrans-80.1-46.8179.1-69178.4179.1-170.7-2.8112.9Q54 I55 F56Q54-R58 WeakPolarHBondContact O-CG 3.26Å; Q54-R58 PolarHBondContact O-N 3.41Å; I55-R58 PolarHBondContact O-N 2.79Å; F56-R58 PolarHBondContact O-N 3.37Å
59T95.3Very high94.4Very high87 Ų8762.7 Ų62.753%0.53434%0.339SS..Iπ-helixtrans-90.5-30.5-168.458.20000113.8I55 F56 P63I55-T59 HydrophobicContact CG2-CG2 4.17Å; I55-T59 WeakPolarHBondContact O-CB 3.48Å; I55-T59 WeakPolarHBondContact O-CG2 3.49Å; I55-T59 PolarHBondContact O-N 3.04Å; I55-T59 PolarHBondContact O-OG1 3.22Å; F56-T59 PolarHBondContact O-N 2.88Å; T59-P63 WeakPolarHBondContact O-CG 3.13Å
60V96.4Very high94Very high67 Ų6762.3 Ų62.341%0.40634%0.339SS..Iπ-helixtrans-112.4-55.1-175.4-1780000110.9F56 T62 P63 L64F56-V60 HydrophobicContact CD2-CB 3.87Å; F56-V60 HydrophobicContact CD2-CG1 4.24Å; F56-V60 HydrophobicContact CD2-CG2 3.97Å; F56-V60 HydrophobicContact CE2-CB 3.78Å; F56-V60 HydrophobicContact CE2-CG1 3.63Å; F56-V60 HydrophobicContact CE2-CG2 4.16Å; F56-V60 HydrophobicContact CG-CB 4.3Å; F56-V60 HydrophobicContact CZ-CB 4.13Å; F56-V60 HydrophobicContact CZ-CG1 3.83Å; F56-V60 WeakPolarHBondContact O-CA 3.41Å; F56-V60 WeakPolarHBondContact O-CB 3.22Å; F56-V60 PolarHBondContact O-N 2.93Å; V60-T62 PolarHBondContact O-N 3.34Å; V60-P63 WeakPolarHBondContact O-CD 3.19Å; V60-L64 VanDerWaalsContact O-CB 3.25Å; V60-L64 WeakPolarHBondContact O-CB 3.49Å; V60-L64 PolarHBondContact O-N 2.91Å
61A95.1Very high93.1Very high0 Ų067.9 Ų67.90%036%0.361CS..Iπ-helixtrans-70.1-31.4-171.400000113F56 A65 R134F56-A61 HydrophobicContact CD1-CB 4.22Å; F56-A61 HydrophobicContact CE1-CB 3.93Å; F56-A61 PolarHBondContact O-N 3.44Å; A61-A65 VanDerWaalsContact O-CB 3.31Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.16Å; A61-R134 HydrophobicContact CB-CB 4.23Å; A61-R134 HydrophobicContact CB-CG 3.91Å
62T93.2Very high92.1Very high39 Ų3966.5 Ų66.524%0.23935%0.352CS..Hα-helixtrans-69.7-51.3178.4-54.60000112.5E57 V60 L64 A65 S66 R134E57-T62 PolarHBondContact O-N 3.43Å; E57-T62 PolarHBondContact O-OG1 2.92Å; V60-T62 PolarHBondContact O-N 3.34Å; T62-L64 VanDerWaalsContact C-N 3.28Å; T62-L64 PolarHBondContact O-N 3.35Å; T62-A65 PolarHBondContact O-N 2.84Å; T62-S66 PolarHBondContact O-N 3.33Å; T62-S66 VanDerWaalsContact O-N 3.12Å; T62-R134 VanDerWaalsContact CG2-NH2 3.28Å; T62-R134 PolarHBondContact OG1-NE 3.48Å; T62-R134 PolarHBondContact OG1-NH2 3.43Å
63P93.6Very high90.8Very high73 Ų7367 Ų6747%0.47436%0.359SS..Hα-helixtrans-59.1-39.9172.3-25.936.3000112.7T59 V60 A65 S66 L67T59-P63 WeakPolarHBondContact O-CG 3.13Å; V60-P63 WeakPolarHBondContact O-CD 3.19Å; P63-A65 PolarHBondContact O-N 2.91Å; P63-S66 WeakPolarHBondContact O-CB 3.31Å; P63-S66 PolarHBondContact O-N 3.44Å; P63-L67 PolarHBondContact O-N 3.24Å
64L94.7Very high89.6Confident54 Ų5472.7 Ų72.728%0.28340%0.396SS..Hα-helixtrans-61.6-43.3177.5-177.362.8000112.1V60 T62 S66 L67 L68 F133 M251V60-L64 VanDerWaalsContact O-CB 3.25Å; V60-L64 WeakPolarHBondContact O-CB 3.49Å; V60-L64 PolarHBondContact O-N 2.91Å; T62-L64 VanDerWaalsContact C-N 3.28Å; T62-L64 PolarHBondContact O-N 3.35Å; L64-S66 VanDerWaalsContact C-N 3.29Å; L64-S66 PolarHBondContact O-N 3.42Å; L64-L67 PolarHBondContact O-N 2.67Å; L64-L68 HydrophobicContact CD1-CD1 4.24Å; L64-L68 HydrophobicContact CD1-CG 4.31Å; L64-L68 HydrophobicContact CG-CD1 4.22Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 2.88Å; L64-F133 HydrophobicContact CB-CE1 4.46Å; L64-F133 HydrophobicContact CD2-CE1 4.36Å; L64-F133 HydrophobicContact CD2-CZ 4.26Å; L64-F133 HydrophobicContact CG-CE1 4.27Å; L64-F133 HydrophobicContact CG-CZ 4.12Å; L64-M251 HydrophobicContact CD2-CE 3.81Å
65A93.6Very high88.9Confident1 Ų171.4 Ų71.41%0.00839%0.387CS..Hα-helixtrans-59.5-42.2175.100000111.5A61 T62 P63 L68 G69 V70 L130 F133A61-A65 VanDerWaalsContact O-CB 3.31Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.16Å; T62-A65 PolarHBondContact O-N 2.84Å; P63-A65 PolarHBondContact O-N 2.91Å; A65-L68 PolarHBondContact O-N 3.02Å; A65-G69 PolarHBondContact O-N 2.99Å; A65-V70 HydrophobicContact CB-CB 4.07Å; A65-V70 HydrophobicContact CB-CG2 4.11Å; A65-V70 WeakPolarHBondContact O-CB 3.41Å; A65-V70 WeakPolarHBondContact O-CG2 3.3Å; A65-V70 PolarHBondContact O-N 2.89Å; A65-L130 HydrophobicContact CB-CD1 3.4Å; A65-L130 VanDerWaalsContact CB-CD1 3.4Å; A65-F133 HydrophobicContact CB-CD1 3.52Å; A65-F133 HydrophobicContact CB-CE1 3.68Å; A65-F133 HydrophobicContact CB-CG 4.16Å; A65-F133 HydrophobicContact CB-CZ 4.42Å
66S91.3Very high88.1Confident96 Ų9671.4 Ų71.467%0.67139%0.387SS*.Hα-helixtrans-64.2-42176-172.20000112T62 P63 L64 L68 G69T62-S66 PolarHBondContact O-N 3.33Å; T62-S66 VanDerWaalsContact O-N 3.12Å; P63-S66 WeakPolarHBondContact O-CB 3.31Å; P63-S66 PolarHBondContact O-N 3.44Å; L64-S66 VanDerWaalsContact C-N 3.29Å; L64-S66 PolarHBondContact O-N 3.42Å; S66-L68 VanDerWaalsContact C-N 3.34Å; S66-G69 PolarHBondContact O-N 2.88Å; S66-G69 VanDerWaalsContact O-N 3.17Å
67L92.8Very high87.5Confident141 Ų14178.5 Ų78.574%0.73842%0.418SS*.Hα-helixtrans-64.1-39.5178.9-178.166.5000111.8P63 L64 G69P63-L67 PolarHBondContact O-N 3.24Å; L64-L67 PolarHBondContact O-N 2.67Å; L67-G69 PolarHBondContact O-N 2.88Å
68L91.9Very high87.2Confident26 Ų2678.1 Ų78.114%0.13642%0.419CS..THydrogen-bonded Turntrans-80.1-0.3177.2-63.9178.9000113.4L64 A65 S66 F133 A255 W257L64-L68 HydrophobicContact CD1-CD1 4.24Å; L64-L68 HydrophobicContact CD1-CG 4.31Å; L64-L68 HydrophobicContact CG-CD1 4.22Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 2.88Å; A65-L68 PolarHBondContact O-N 3.02Å; S66-L68 VanDerWaalsContact C-N 3.34Å; L68-F133 HydrophobicContact CD1-CE2 3.86Å; L68-F133 HydrophobicContact CD1-CZ 3.67Å; L68-A255 HydrophobicContact CB-CB 3.95Å; L68-W257 HydrophobicContact CD2-CH2 3.43Å; L68-W257 VanDerWaalsContact CD2-CH2 3.43Å; L68-W257 HydrophobicContact CD2-CZ2 3.76Å; L68-W257 HydrophobicContact CD2-CZ3 3.99Å
69G88.9Confident87Confident42 Ų4273.5 Ų73.543%0.43341%0.411SS..THydrogen-bonded Turntrans75.626.1176.200000114.5A65 S66 L67 K71A65-G69 PolarHBondContact O-N 2.99Å; S66-G69 PolarHBondContact O-N 2.88Å; S66-G69 VanDerWaalsContact O-N 3.17Å; L67-G69 PolarHBondContact O-N 2.88Å; G69-K71 PolarHBondContact O-N 3.24Å
70V88.6Confident86.8Confident19 Ų1976.9 Ų76.912%0.11542%0.42CS..  trans-66.3103.9174.2-1780000108.9A65 L129 F133 A255A65-V70 HydrophobicContact CB-CB 4.07Å; A65-V70 HydrophobicContact CB-CG2 4.11Å; A65-V70 WeakPolarHBondContact O-CB 3.41Å; A65-V70 WeakPolarHBondContact O-CG2 3.3Å; A65-V70 PolarHBondContact O-N 2.89Å; V70-L129 HydrophobicContact CG1-CD2 3.85Å; V70-L129 HydrophobicContact CG1-CG 3.89Å; V70-F133 HydrophobicContact CG2-CD2 3.68Å; V70-F133 HydrophobicContact CG2-CE2 3.96Å; V70-F133 HydrophobicContact CG2-CG 4.13Å; V70-A255 HydrophobicContact CG2-CB 4.13Å
71K77.1Confident86.6Confident174 Ų17474.5 Ų74.576%0.75741%0.405SS*.PPolyproline II helixtrans-90.7122.9178.7-67179.9-177179.10110.1G69 T73G69-K71 PolarHBondContact O-N 3.24Å; K71-T73 PolarHBondContact O-N 3.32Å
72E74.5Confident86.5Confident79 Ų7978.6 Ų78.637%0.36943%0.432SS..PPolyproline II helixtrans-74.1119.4169.7-165.482.5-112.300108.6V74 S128 L129 L130E72-V74 PolarHBondContact O-N 3Å; E72-S128 VanDerWaalsContact CD-CB 3.43Å; E72-S128 VanDerWaalsContact CD-OG 3.31Å; E72-S128 WeakPolarHBondContact OE1-CA 3.36Å; E72-S128 WeakPolarHBondContact OE1-CB 3.22Å; E72-S128 PolarHBondContact OE1-OG 3.17Å; E72-S128 VanDerWaalsContact OE2-CB 3.3Å; E72-S128 WeakPolarHBondContact OE2-CB 3.48Å; E72-S128 PolarHBondContact OE2-OG 3.37Å; E72-L129 PolarHBondContact OE1-N 3.09Å; E72-L130 WeakPolarHBondContact OE2-CB 3.29Å; E72-L130 PolarHBondContact OE2-N 3.05Å
73T69Low86.4Confident84 Ų8478.9 Ų78.952%0.51544%0.435SS..PPolyproline II helixtrans-73.3123.7171.747.70000108.8K71 R75K71-T73 PolarHBondContact O-N 3.32Å; T73-R75 PolarHBondContact O-N 3.45Å
74V70.6Confident86.4Confident141 Ų14175.4 Ų75.486%0.85541%0.413SS*.  trans-69.8101.4177.5-179.70000108.2E72E72-V74 PolarHBondContact O-N 3Å
75R78.7Confident86.3Confident61 Ų6175.2 Ų75.223%0.2341%0.41CS..PPolyproline II helixtrans-77.2126.4177-63.4-175.2-174.91476110.1T73 K77 N123 R126 P127 D345T73-R75 PolarHBondContact O-N 3.45Å; R75-K77 PolarHBondContact O-N 2.96Å; R75-N123 WeakPolarHBondContact CD-O 3.48Å; R75-N123 PolarHBondContact NH1-O 3.49Å; R75-R126 VanDerWaalsContact NH1-C 3.34Å; R75-R126 VanDerWaalsContact NH1-CB 3.31Å; R75-R126 PolarHBondContact NH1-O 3.4Å; R75-P127 PolarHBondContact NH1-O 3.47Å; R75-P127 PolarHBondContact NH2-O 2.9Å; R75-D345 IonicContact NH2-OD1 2.97Å; R75-D345 IonicContact NH2-OD2 2.68Å
76L80.3Confident86.3Confident98 Ų9878 Ų7851%0.51343%0.429SS..PPolyproline II helixtrans-62.3130.6174.6-70171.3000110.2
77K85.3Confident86.4Confident174 Ų17475.4 Ų75.476%0.75741%0.406SS*.PPolyproline II helixtrans-73.5135.8176.6-69.5-172.1178.3177.20110.4R75R75-K77 PolarHBondContact O-N 2.96Å
78A88Confident86.4Confident16 Ų1669.1 Ų69.113%0.13237%0.372CS..PPolyproline II helixtrans-64.3134.5169.500000108.9R120 R121A78-R120 HydrophobicContact CB-CB 4Å; A78-R121 HydrophobicContact CB-CB 4.1Å
79P88.5Confident86.4Confident71 Ų7171.9 Ų71.946%0.46139%0.392SS..PPolyproline II helixtrans-64.4148.517626.8-32.7000110I81 W117P79-I81 HydrophobicContact CG-CD1 4.35Å; P79-I81 PolarHBondContact O-N 3.49Å; P79-I81 VanDerWaalsContact O-N 3.1Å; P79-W117 PolarHBondContact O-NE1 2.65Å
80H90.8Very high86.5Confident159 Ų15980 Ų8074%0.73641%0.41SS*.  trans-75104.4-177.3-177.1-93.6000111.1
81I91.7Very high86.7Confident17 Ų1783.7 Ų83.79%0.08743%0.432CS..  trans-121101.9176.9-57.1176.6000107.9P79 S83 L84 E85 Y109P79-I81 HydrophobicContact CG-CD1 4.35Å; P79-I81 PolarHBondContact O-N 3.49Å; P79-I81 VanDerWaalsContact O-N 3.1Å; I81-S83 VanDerWaalsContact C-N 3.3Å; I81-S83 PolarHBondContact O-N 3.36Å; I81-L84 HydrophobicContact CB-CB 4.25Å; I81-L84 HydrophobicContact CB-CD1 4.14Å; I81-L84 HydrophobicContact CB-CG 4.17Å; I81-L84 HydrophobicContact CD1-CD1 3.87Å; I81-L84 HydrophobicContact CG2-CB 4.21Å; I81-L84 HydrophobicContact CG2-CD1 4Å; I81-L84 HydrophobicContact CG2-CG 3.74Å; I81-L84 PolarHBondContact O-N 2.85Å; I81-L84 VanDerWaalsContact O-N 3.13Å; I81-E85 PolarHBondContact O-N 3.11Å; I81-Y109 HydrophobicContact CD1-CD2 4.42Å; I81-Y109 HydrophobicContact CD1-CE1 4.25Å; I81-Y109 HydrophobicContact CD1-CE2 3.88Å
82P92.8Very high87.4Confident85 Ų8577.8 Ų77.855%0.55241%0.411SS*.Hα-helixtrans-56.4-37.6-168.5-27.733.1000115.2S86P82-S86 VanDerWaalsContact O-CB 3.24Å; P82-S86 WeakPolarHBondContact O-CB 3.34Å; P82-S86 PolarHBondContact O-N 3.31Å
83S91.3Very high88.1Confident45 Ų4578.9 Ų78.932%0.31542%0.415SS..Hα-helixtrans-66.7-44.4178.644.90000112.3I81 Y87 T107I81-S83 VanDerWaalsContact C-N 3.3Å; I81-S83 PolarHBondContact O-N 3.36Å; S83-Y87 WeakPolarHBondContact O-CB 3.21Å; S83-Y87 PolarHBondContact O-N 2.99Å; S83-T107 WeakPolarHBondContact OG-CG2 3.26Å
84L93.4Very high89.2Confident1 Ų179.7 Ų79.71%0.00542%0.416CS..Hα-helixtrans-68.8-39.8176.5-58.4-175000111.3I81 Y87 Y88 L103 T107 V114 W117 F118I81-L84 HydrophobicContact CB-CB 4.25Å; I81-L84 HydrophobicContact CB-CD1 4.14Å; I81-L84 HydrophobicContact CB-CG 4.17Å; I81-L84 HydrophobicContact CD1-CD1 3.87Å; I81-L84 HydrophobicContact CG2-CB 4.21Å; I81-L84 HydrophobicContact CG2-CD1 4Å; I81-L84 HydrophobicContact CG2-CG 3.74Å; I81-L84 PolarHBondContact O-N 2.85Å; I81-L84 VanDerWaalsContact O-N 3.13Å; L84-Y87 PolarHBondContact O-N 3.35Å; L84-Y88 VanDerWaalsContact O-CB 3.29Å; L84-Y88 WeakPolarHBondContact O-CB 3.48Å; L84-Y88 PolarHBondContact O-N 3.05Å; L84-L103 HydrophobicContact CD2-CB 4Å; L84-L103 HydrophobicContact CD2-CD1 4.23Å; L84-L103 HydrophobicContact CD2-CD2 4.1Å; L84-L103 HydrophobicContact CD2-CG 4.34Å; L84-T107 HydrophobicContact CD2-CG2 3.97Å; L84-T107 HydrophobicContact CG-CG2 4.25Å; L84-V114 HydrophobicContact CD2-CG1 4.1Å; L84-W117 VanDerWaalsContact C-CH2 3.45Å; L84-W117 HydrophobicContact CB-CD2 3.78Å; L84-W117 HydrophobicContact CB-CE3 3.63Å; L84-W117 HydrophobicContact CB-CH2 3.78Å; L84-W117 HydrophobicContact CB-CZ2 3.87Å; L84-W117 HydrophobicContact CB-CZ3 3.64Å; L84-W117 HydrophobicContact CD1-CB 3.96Å; L84-W117 HydrophobicContact CD1-CD2 3.62Å; L84-W117 HydrophobicContact CD1-CE3 3.94Å; L84-W117 HydrophobicContact CD1-CG 3.59Å; L84-W117 HydrophobicContact CG-CD2 4.36Å; L84-W117 HydrophobicContact CG-CE3 4.39Å; L84-F118 HydrophobicContact CD2-CE2 4.13Å
85E93.6Very high90.1Very high49 Ų4974.2 Ų74.223%0.22938%0.383CS..Hα-helixtrans-64.2-43.2176.1-169.566.6-161.100111.8I81 Y87 Y88 C89 W117 R121I81-E85 PolarHBondContact O-N 3.11Å; E85-Y87 PolarHBondContact O-N 2.89Å; E85-Y88 PolarHBondContact O-N 3.45Å; E85-C89 WeakPolarHBondContact O-CB 3.49Å; E85-C89 PolarHBondContact O-N 3.06Å; E85-C89 PolarHBondContact O-SG 2.92Å; E85-W117 HydrophobicContact CB-CH2 4.34Å; E85-W117 HydrophobicContact CB-CZ2 4.32Å; E85-W117 WeakPolarHBondContact OE2-CH2 3.49Å; E85-W117 WeakPolarHBondContact OE2-CZ2 3.41Å; E85-R121 VanDerWaalsContact CD-NE 3.34Å; E85-R121 IonicContact OE1-CZ 3.93Å; E85-R121 IonicContact OE1-NE 3.85Å; E85-R121 PolarHBondContact OE1-NE 3.27Å; E85-R121 IonicContact OE1-NH2 2.85Å; E85-R121 PolarHBondContact OE1-NH2 2.97Å; E85-R121 WeakPolarHBondContact OE2-CD 3.46Å; E85-R121 IonicContact OE2-CZ 2.73Å; E85-R121 IonicContact OE2-NE 3.42Å; E85-R121 PolarHBondContact OE2-NE 3.49Å
86S92.9Very high90.7Very high59 Ų5975 Ų7541%0.41340%0.395SS..Hα-helixtrans-59.9-46.3175-178.50000111.3P82 C89 R90P82-S86 VanDerWaalsContact O-CB 3.24Å; P82-S86 WeakPolarHBondContact O-CB 3.34Å; P82-S86 PolarHBondContact O-N 3.31Å; S86-C89 PolarHBondContact O-N 3.19Å; S86-R90 VanDerWaalsContact O-CB 3.26Å; S86-R90 WeakPolarHBondContact O-CB 3.5Å; S86-R90 WeakPolarHBondContact O-CG 3.21Å; S86-R90 PolarHBondContact O-N 3.47Å
87Y93.4Very high91.2Very high43 Ų4376 Ų7617%0.16940%0.397CS..Hα-helixtrans-64.2-44177.8-170.9-82.1000111.9S83 L84 E85 C89 R90 V91 T92 P95 S99 L103 F118S83-Y87 WeakPolarHBondContact O-CB 3.21Å; S83-Y87 PolarHBondContact O-N 2.99Å; L84-Y87 PolarHBondContact O-N 3.35Å; E85-Y87 PolarHBondContact O-N 2.89Å; Y87-C89 PolarHBondContact O-N 3.27Å; Y87-R90 PolarHBondContact O-N 3.35Å; Y87-V91 HydrophobicContact CD1-CB 4.21Å; Y87-V91 HydrophobicContact CD2-CB 4.09Å; Y87-V91 HydrophobicContact CD2-CG1 4.49Å; Y87-V91 HydrophobicContact CD2-CG2 3.84Å; Y87-V91 HydrophobicContact CE1-CB 4.06Å; Y87-V91 HydrophobicContact CE1-CG1 4.18Å; Y87-V91 HydrophobicContact CE2-CB 3.93Å; Y87-V91 HydrophobicContact CE2-CG1 3.84Å; Y87-V91 HydrophobicContact CE2-CG2 3.97Å; Y87-V91 HydrophobicContact CG-CB 4.23Å; Y87-V91 HydrophobicContact CG-CG2 4.25Å; Y87-V91 WeakPolarHBondContact O-CA 3.48Å; Y87-V91 WeakPolarHBondContact O-CB 3.46Å; Y87-V91 PolarHBondContact O-N 3.16Å; Y87-T92 HydrophobicContact CE1-CG2 3.64Å; Y87-T92 PolarHBondContact O-N 3.47Å; Y87-P95 HydrophobicContact CE1-CB 3.98Å; Y87-S99 WeakPolarHBondContact OH-CB 3.44Å; Y87-S99 PolarHBondContact OH-OG 3.01Å; Y87-L103 HydrophobicContact CD1-CD1 3.95Å; Y87-L103 HydrophobicContact CD2-CD1 4.3Å; Y87-L103 HydrophobicContact CD2-CD2 3.89Å; Y87-L103 HydrophobicContact CD2-CG 4.48Å; Y87-L103 HydrophobicContact CE1-CD1 4.15Å; Y87-L103 HydrophobicContact CE2-CD1 4.49Å; Y87-L103 HydrophobicContact CG-CD1 4.03Å; Y87-L103 HydrophobicContact CG-CD2 3.99Å; Y87-F118 HydrophobicContact CD1-CE1 4.09Å; Y87-F118 AromaticContact CD1-CZ 3.7Å; Y87-F118 HydrophobicContact CD1-CZ 3.7Å; Y87-F118 HydrophobicContact CE1-CZ 4.35Å
88Y93.1Very high91.3Very high8 Ų872 Ų723%0.03139%0.391CS..Hα-helixtrans-59.5-45.4178.3-177.1-92.3000112.4L84 E85 K93 W117 F118 R121 R122 D125L84-Y88 VanDerWaalsContact O-CB 3.29Å; L84-Y88 WeakPolarHBondContact O-CB 3.48Å; L84-Y88 PolarHBondContact O-N 3.05Å; E85-Y88 PolarHBondContact O-N 3.45Å; Y88-K93 HydrophobicContact CD2-CB 4.26Å; Y88-K93 HydrophobicContact CD2-CG 4.33Å; Y88-K93 HydrophobicContact CE1-CD 4.3Å; Y88-K93 HydrophobicContact CE1-CG 4.12Å; Y88-K93 HydrophobicContact CE2-CB 3.67Å; Y88-K93 HydrophobicContact CE2-CD 4.33Å; Y88-K93 HydrophobicContact CE2-CG 3.76Å; Y88-K93 WeakPolarHBondContact OH-CD 3.34Å; Y88-W117 HydrophobicContact CD2-CZ3 4.33Å; Y88-W117 HydrophobicContact CG-CH2 4.48Å; Y88-W117 HydrophobicContact CG-CZ3 4.39Å; Y88-F118 AromaticContact CD2-CD1 3.74Å; Y88-F118 HydrophobicContact CD2-CD1 3.74Å; Y88-F118 AromaticContact CD2-CE1 3.87Å; Y88-F118 HydrophobicContact CD2-CE1 3.87Å; Y88-F118 HydrophobicContact CE2-CD1 4.46Å; Y88-R121 HydrophobicContact CD1-CG 3.94Å; Y88-R121 HydrophobicContact CD2-CB 4.47Å; Y88-R121 HydrophobicContact CD2-CG 3.93Å; Y88-R121 HydrophobicContact CE1-CG 3.88Å; Y88-R121 HydrophobicContact CE2-CB 4.31Å; Y88-R121 HydrophobicContact CE2-CG 3.88Å; Y88-R121 HydrophobicContact CG-CG 3.97Å; Y88-R122 HydrophobicContact CE2-CG 3.82Å; Y88-D125 WeakPolarHBondContact CE1-OD2 3.38Å; Y88-D125 PolarHBondContact OH-OD2 3.46Å
89C91.3Very high91.5Very high84 Ų8472.6 Ų72.657%0.56839%0.394SS*.Hα-helixtrans-76.9-30.2-177.3-72.70000113.5E85 S86 Y87E85-C89 WeakPolarHBondContact O-CB 3.49Å; E85-C89 PolarHBondContact O-N 3.06Å; E85-C89 PolarHBondContact O-SG 2.92Å; S86-C89 PolarHBondContact O-N 3.19Å; Y87-C89 PolarHBondContact O-N 3.27Å
90R92.1Very high91.6Very high214 Ų21469.3 Ų69.381%0.80837%0.373SS*.Hα-helixtrans-106-27.6-170.8-62.9-178.1176.5-146.5-0.1114.9S86 Y87S86-R90 VanDerWaalsContact O-CB 3.26Å; S86-R90 WeakPolarHBondContact O-CB 3.5Å; S86-R90 WeakPolarHBondContact O-CG 3.21Å; S86-R90 PolarHBondContact O-N 3.47Å; Y87-R90 PolarHBondContact O-N 3.35Å
91V92.4Very high91.6Very high95 Ų9564 Ų6458%0.57636%0.356SS*.THydrogen-bonded Turntrans-112.3-67.8-171-171.60000111.1Y87Y87-V91 HydrophobicContact CD1-CB 4.21Å; Y87-V91 HydrophobicContact CD2-CB 4.09Å; Y87-V91 HydrophobicContact CD2-CG1 4.49Å; Y87-V91 HydrophobicContact CD2-CG2 3.84Å; Y87-V91 HydrophobicContact CE1-CB 4.06Å; Y87-V91 HydrophobicContact CE1-CG1 4.18Å; Y87-V91 HydrophobicContact CE2-CB 3.93Å; Y87-V91 HydrophobicContact CE2-CG1 3.84Å; Y87-V91 HydrophobicContact CE2-CG2 3.97Å; Y87-V91 HydrophobicContact CG-CB 4.23Å; Y87-V91 HydrophobicContact CG-CG2 4.25Å; Y87-V91 WeakPolarHBondContact O-CA 3.48Å; Y87-V91 WeakPolarHBondContact O-CB 3.46Å; Y87-V91 PolarHBondContact O-N 3.16Å
92T90.9Very high91.5Very high50 Ų5066.1 Ų66.131%0.30737%0.372SS..  trans-162.4147.9179.8179.30000111.8Y87 N94Y87-T92 HydrophobicContact CE1-CG2 3.64Å; Y87-T92 PolarHBondContact O-N 3.47Å; T92-N94 VanDerWaalsContact C-N 3.32Å; T92-N94 PolarHBondContact OG1-N 2.79Å; T92-N94 PolarHBondContact OG1-O 2.99Å
93K90.4Very high91.5Very high103 Ų10362.2 Ų62.245%0.44835%0.347SS..SBendtrans-77.7-19.3171.2-58.3-170.7175.5-155.10113Y88 R122 D125Y88-K93 HydrophobicContact CD2-CB 4.26Å; Y88-K93 HydrophobicContact CD2-CG 4.33Å; Y88-K93 HydrophobicContact CE1-CD 4.3Å; Y88-K93 HydrophobicContact CE1-CG 4.12Å; Y88-K93 HydrophobicContact CE2-CB 3.67Å; Y88-K93 HydrophobicContact CE2-CD 4.33Å; Y88-K93 HydrophobicContact CE2-CG 3.76Å; Y88-K93 WeakPolarHBondContact OH-CD 3.34Å; K93-R122 HydrophobicContact CB-CG 4.49Å; K93-R122 PolarHBondContact O-NH1 3.26Å; K93-D125 IonicContact NZ-OD2 3.81Å; K93-D125 PolarHBondContact NZ-OD2 3.06Å
94N90.7Very high91.6Very high101 Ų10161 Ų6154%0.5434%0.338SS..SBendtrans-124.782.2-176.7-65.4-38.8000108.9T92 R122T92-N94 VanDerWaalsContact C-N 3.32Å; T92-N94 PolarHBondContact OG1-N 2.79Å; T92-N94 PolarHBondContact OG1-O 2.99Å; N94-R122 WeakPolarHBondContact OD1-CD 3.37Å; N94-R122 PolarHBondContact OD1-NE 2.6Å; N94-R122 PolarHBondContact OD1-NH1 2.61Å
95P90.3Very high91.5Very high25 Ų2569.8 Ų69.816%0.16238%0.376CS..  trans-65.2143.3179.927.4-34.8000111.2Y87 V100 F118Y87-P95 HydrophobicContact CE1-CB 3.98Å; P95-V100 HydrophobicContact CB-CG2 3.96Å; P95-V100 HydrophobicContact CG-CG2 3.87Å; P95-F118 HydrophobicContact CB-CZ 4.46Å; P95-F118 HydrophobicContact CG-CD1 3.83Å; P95-F118 HydrophobicContact CG-CD2 3.85Å; P95-F118 HydrophobicContact CG-CE1 3.88Å; P95-F118 HydrophobicContact CG-CE2 3.91Å; P95-F118 HydrophobicContact CG-CG 3.84Å; P95-F118 HydrophobicContact CG-CZ 3.94Å
96T91.9Very high91.3Very high79 Ų7974 Ų7449%0.48540%0.396SS..  trans-73.4161170.257.20000111.1S98 S99 V100T96-S98 VanDerWaalsContact C-N 3.27Å; T96-S98 PolarHBondContact O-N 3.15Å; T96-S98 PolarHBondContact OG1-OG 3.29Å; T96-S99 WeakPolarHBondContact O-CA 3.46Å; T96-S99 WeakPolarHBondContact O-CB 3.15Å; T96-S99 PolarHBondContact O-N 3.41Å; T96-S99 PolarHBondContact OG1-OG 3.48Å; T96-V100 WeakPolarHBondContact O-CG2 3.48Å; T96-V100 PolarHBondContact O-N 3.48Å
97Q89.5Confident91.1Very high118 Ų11872.5 Ų72.555%0.55138%0.384SS*.Hα-helixtrans-53.4-41.4179-162.867.9-3.700113.4S99 V100 A101 E111Q97-S99 VanDerWaalsContact C-N 3.34Å; Q97-S99 PolarHBondContact O-N 3.02Å; Q97-V100 PolarHBondContact O-N 3.49Å; Q97-A101 PolarHBondContact O-N 3.36Å; Q97-A101 VanDerWaalsContact O-N 3.14Å; Q97-E111 PolarHBondContact NE2-OE1 3.47Å; Q97-E111 PolarHBondContact OE1-OE1 2.93Å
98S89.4Confident90.9Very high91 Ų9173.9 Ų73.964%0.63641%0.412SS*.Hα-helixtrans-64.6-36.9175.854.30000113T96 S102T96-S98 VanDerWaalsContact C-N 3.27Å; T96-S98 PolarHBondContact O-N 3.15Å; T96-S98 PolarHBondContact OG1-OG 3.29Å; S98-S102 PolarHBondContact O-N 3.31Å
99S90.5Very high90.9Very high27 Ų2778.2 Ų78.219%0.18943%0.429CS..Hα-helixtrans-70.1-39.7177-57.80000111.4Y87 T96 Q97 A101 S102 L103Y87-S99 WeakPolarHBondContact OH-CB 3.44Å; Y87-S99 PolarHBondContact OH-OG 3.01Å; T96-S99 WeakPolarHBondContact O-CA 3.46Å; T96-S99 WeakPolarHBondContact O-CB 3.15Å; T96-S99 PolarHBondContact O-N 3.41Å; T96-S99 PolarHBondContact OG1-OG 3.48Å; Q97-S99 VanDerWaalsContact C-N 3.34Å; Q97-S99 PolarHBondContact O-N 3.02Å; S99-A101 VanDerWaalsContact C-N 3.34Å; S99-A101 PolarHBondContact O-N 2.84Å; S99-S102 WeakPolarHBondContact O-CB 3.37Å; S99-S102 PolarHBondContact O-N 3.33Å; S99-L103 VanDerWaalsContact O-CG 3.31Å; S99-L103 WeakPolarHBondContact O-CG 3.23Å; S99-L103 PolarHBondContact O-N 2.94Å
100V91.2Very high90.9Very high3 Ų377 Ų772%0.01842%0.421CS..Hα-helixtrans-59.6-45.2175.11760000110.6P95 T96 Q97 S102 L103 C104 E111 V114 Q115P95-V100 HydrophobicContact CB-CG2 3.96Å; P95-V100 HydrophobicContact CG-CG2 3.87Å; T96-V100 WeakPolarHBondContact O-CG2 3.48Å; T96-V100 PolarHBondContact O-N 3.48Å; Q97-V100 PolarHBondContact O-N 3.49Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 PolarHBondContact O-N 3.01Å; V100-L103 PolarHBondContact O-N 3.06Å; V100-L103 VanDerWaalsContact O-N 3.16Å; V100-C104 PolarHBondContact O-N 3.49Å; V100-C104 PolarHBondContact O-SG 3.45Å; V100-E111 HydrophobicContact CG1-CB 4.45Å; V100-E111 HydrophobicContact CG1-CG 3.81Å; V100-V114 HydrophobicContact CG1-CB 4.26Å; V100-V114 HydrophobicContact CG1-CG1 4.06Å; V100-Q115 HydrophobicContact CG1-CG 4.14Å; V100-Q115 HydrophobicContact CG2-CG 4.5Å
101A90.4Very high90.9Very high48 Ų4870.2 Ų70.240%0.39740%0.398SS..Hα-helixtrans-60.1-38.8176.900000113Q97 S99 C104 K105Q97-A101 PolarHBondContact O-N 3.36Å; Q97-A101 VanDerWaalsContact O-N 3.14Å; S99-A101 VanDerWaalsContact C-N 3.34Å; S99-A101 PolarHBondContact O-N 2.84Å; A101-C104 PolarHBondContact O-N 2.91Å; A101-K105 PolarHBondContact O-N 2.8Å
102S91Very high90.8Very high60 Ų6073.4 Ų73.442%0.4240%0.4SS..Hα-helixtrans-64.9-43.9174.4-1740000112S98 S99 V100 C104 K105 Q106S98-S102 PolarHBondContact O-N 3.31Å; S99-S102 WeakPolarHBondContact O-CB 3.37Å; S99-S102 PolarHBondContact O-N 3.33Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 PolarHBondContact O-N 3.01Å; S102-C104 VanDerWaalsContact C-N 3.33Å; S102-C104 PolarHBondContact O-N 3.36Å; S102-K105 WeakPolarHBondContact O-CB 3.31Å; S102-K105 PolarHBondContact O-N 3.47Å; S102-Q106 PolarHBondContact O-N 3.42Å
103L91.9Very high90.8Very high3 Ų375.8 Ų75.82%0.01641%0.408CS..Hα-helixtrans-65.5-35.7177.9-68.4169.2000112.1L84 Y87 S99 V100 K105 Q106 T107 V114 F118L84-L103 HydrophobicContact CD2-CB 4Å; L84-L103 HydrophobicContact CD2-CD1 4.23Å; L84-L103 HydrophobicContact CD2-CD2 4.1Å; L84-L103 HydrophobicContact CD2-CG 4.34Å; Y87-L103 HydrophobicContact CD1-CD1 3.95Å; Y87-L103 HydrophobicContact CD2-CD1 4.3Å; Y87-L103 HydrophobicContact CD2-CD2 3.89Å; Y87-L103 HydrophobicContact CD2-CG 4.48Å; Y87-L103 HydrophobicContact CE1-CD1 4.15Å; Y87-L103 HydrophobicContact CE2-CD1 4.49Å; Y87-L103 HydrophobicContact CG-CD1 4.03Å; Y87-L103 HydrophobicContact CG-CD2 3.99Å; S99-L103 VanDerWaalsContact O-CG 3.31Å; S99-L103 WeakPolarHBondContact O-CG 3.23Å; S99-L103 PolarHBondContact O-N 2.94Å; V100-L103 PolarHBondContact O-N 3.06Å; V100-L103 VanDerWaalsContact O-N 3.16Å; L103-K105 VanDerWaalsContact C-N 3.34Å; L103-K105 PolarHBondContact O-N 3.03Å; L103-Q106 PolarHBondContact O-N 3.27Å; L103-T107 WeakPolarHBondContact O-CB 2.9Å; L103-T107 VanDerWaalsContact O-CG2 3.28Å; L103-T107 WeakPolarHBondContact O-CG2 3.05Å; L103-T107 PolarHBondContact O-N 2.89Å; L103-T107 PolarHBondContact O-OG1 2.82Å; L103-V114 HydrophobicContact CB-CG1 4.21Å; L103-V114 HydrophobicContact CD1-CG1 4.46Å; L103-F118 HydrophobicContact CD1-CE2 3.73Å; L103-F118 HydrophobicContact CD1-CZ 3.83Å
104C92.6Very high90.9Very high20 Ų2071 Ų7114%0.13539%0.387CS..Hα-helixtrans-59.1-46172.6-64.10000111V100 A101 S102 Q106 T107 G108 Y109 E111V100-C104 PolarHBondContact O-N 3.49Å; V100-C104 PolarHBondContact O-SG 3.45Å; A101-C104 PolarHBondContact O-N 2.91Å; S102-C104 VanDerWaalsContact C-N 3.33Å; S102-C104 PolarHBondContact O-N 3.36Å; C104-Q106 PolarHBondContact O-N 3.36Å; C104-T107 PolarHBondContact O-N 3.24Å; C104-G108 WeakPolarHBondContact O-CA 3.3Å; C104-G108 PolarHBondContact O-N 3.03Å; C104-Y109 WeakPolarHBondContact CA-O 3.34Å; C104-Y109 VanDerWaalsContact CB-O 3.31Å; C104-Y109 WeakPolarHBondContact CB-O 3.46Å; C104-E111 WeakPolarHBondContact SG-CA 3.44Å
105K91.5Very high90.9Very high185 Ų18569.9 Ų69.980%0.80438%0.379SS*.Hα-helixtrans-62.8-39.5177.3-68.9-179.7-178.5-177.80112.8A101 S102 L103A101-K105 PolarHBondContact O-N 2.8Å; S102-K105 WeakPolarHBondContact O-CB 3.31Å; S102-K105 PolarHBondContact O-N 3.47Å; L103-K105 VanDerWaalsContact C-N 3.34Å; L103-K105 PolarHBondContact O-N 3.03Å
106Q90.2Very high91Very high138 Ų13872.9 Ų72.965%0.64539%0.387SS*.Hα-helixtrans-72.1-31.5179.7-75.5-174.3-600113.5S102 L103 C104S102-Q106 PolarHBondContact O-N 3.42Å; L103-Q106 PolarHBondContact O-N 3.27Å; C104-Q106 PolarHBondContact O-N 3.36Å
107T89.1Confident91.1Very high27 Ų2769.5 Ų69.517%0.16637%0.365CS..Hα-helixtrans-106-16.6-169.8640000113.7S83 L84 L103 C104 Y109S83-T107 WeakPolarHBondContact OG-CG2 3.26Å; L84-T107 HydrophobicContact CD2-CG2 3.97Å; L84-T107 HydrophobicContact CG-CG2 4.25Å; L103-T107 WeakPolarHBondContact O-CB 2.9Å; L103-T107 VanDerWaalsContact O-CG2 3.28Å; L103-T107 WeakPolarHBondContact O-CG2 3.05Å; L103-T107 PolarHBondContact O-N 2.89Å; L103-T107 PolarHBondContact O-OG1 2.82Å; C104-T107 PolarHBondContact O-N 3.24Å; T107-Y109 VanDerWaalsContact O-CD2 3.28Å; T107-Y109 WeakPolarHBondContact O-CD2 3.29Å; T107-Y109 PolarHBondContact O-N 3.09Å
108G89.3Confident91.2Very high72 Ų7264 Ų6474%0.74234%0.339SS*.  trans75.63.7-17500000114.2C104C104-G108 WeakPolarHBondContact O-CA 3.3Å; C104-G108 PolarHBondContact O-N 3.03Å
109Y92.1Very high91.2Very high99 Ų9961.6 Ų61.639%0.38832%0.316SS..  trans-86155.4178-72.1-92.2000111.8I81 C104 T107 Q113I81-Y109 HydrophobicContact CD1-CD2 4.42Å; I81-Y109 HydrophobicContact CD1-CE1 4.25Å; I81-Y109 HydrophobicContact CD1-CE2 3.88Å; C104-Y109 WeakPolarHBondContact CA-O 3.34Å; C104-Y109 VanDerWaalsContact CB-O 3.31Å; C104-Y109 WeakPolarHBondContact CB-O 3.46Å; T107-Y109 VanDerWaalsContact O-CD2 3.28Å; T107-Y109 WeakPolarHBondContact O-CD2 3.29Å; T107-Y109 PolarHBondContact O-N 3.09Å; Y109-Q113 HydrophobicContact CD1-CB 4.06Å; Y109-Q113 HydrophobicContact CD1-CG 4.47Å
110S92.5Very high91.1Very high58 Ų5862.4 Ų62.441%0.40632%0.315SS..  trans-70.7158171.976.80000111.4R112 Q113 V114S110-R112 VanDerWaalsContact C-N 3.3Å; S110-R112 PolarHBondContact O-N 3.3Å; S110-Q113 WeakPolarHBondContact O-CB 3.4Å; S110-Q113 PolarHBondContact O-N 3.48Å; S110-Q113 WeakPolarHBondContact OG-CG 3.47Å; S110-Q113 PolarHBondContact OG-N 3.02Å; S110-Q113 PolarHBondContact OG-OE1 2.88Å; S110-V114 PolarHBondContact O-N 3.35Å
111E90.7Very high91.1Very high72 Ų7264 Ų6434%0.33632%0.321SS..Hα-helixtrans-54.2-45.5176.8172.9160.4-15800112.8Q97 V100 C104 Q113 V114 Q115Q97-E111 PolarHBondContact NE2-OE1 3.47Å; Q97-E111 PolarHBondContact OE1-OE1 2.93Å; V100-E111 HydrophobicContact CG1-CB 4.45Å; V100-E111 HydrophobicContact CG1-CG 3.81Å; C104-E111 WeakPolarHBondContact SG-CA 3.44Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 3.3Å; E111-V114 PolarHBondContact O-N 3.22Å; E111-Q115 HydrophobicContact CG-CG 4.39Å; E111-Q115 WeakPolarHBondContact O-CB 3.36Å; E111-Q115 WeakPolarHBondContact O-CG 3.4Å; E111-Q115 PolarHBondContact O-N 3.23Å; E111-Q115 PolarHBondContact OE1-NE2 3.09Å
112R89.8Confident91.1Very high163 Ų16363.7 Ų63.762%0.61531%0.309SS*.Hα-helixtrans-59.1-41.3176.1-70-176.7172.5-146.8-11.7111.9S110 R116 E354S110-R112 VanDerWaalsContact C-N 3.3Å; S110-R112 PolarHBondContact O-N 3.3Å; R112-R116 WeakPolarHBondContact O-CB 3.06Å; R112-R116 PolarHBondContact O-N 3.14Å; R112-E354 IonicContact CZ-OE2 2.74Å; R112-E354 VanDerWaalsContact CZ-OE2 3.27Å; R112-E354 IonicContact NH1-OE2 3.43Å; R112-E354 PolarHBondContact NH1-OE2 2.92Å; R112-E354 IonicContact NH2-OE1 3.63Å; R112-E354 IonicContact NH2-OE2 2.83Å; R112-E354 PolarHBondContact NH2-OE2 2.8Å
113Q92.1Very high90.8Very high100 Ų10061.8 Ų61.847%0.46729%0.294SS..Hα-helixtrans-66.5-41.8178.6-73.1171.8-41.200111.8Y109 S110 E111 W117Y109-Q113 HydrophobicContact CD1-CB 4.06Å; Y109-Q113 HydrophobicContact CD1-CG 4.47Å; S110-Q113 WeakPolarHBondContact O-CB 3.4Å; S110-Q113 PolarHBondContact O-N 3.48Å; S110-Q113 WeakPolarHBondContact OG-CG 3.47Å; S110-Q113 PolarHBondContact OG-N 3.02Å; S110-Q113 PolarHBondContact OG-OE1 2.88Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 3.3Å; Q113-W117 WeakPolarHBondContact O-CB 3.49Å; Q113-W117 PolarHBondContact O-N 2.89Å
114V92.1Very high90.5Very high1 Ų164.7 Ų64.71%0.00631%0.308CS..Hα-helixtrans-64.5-49.2175.9175.50000110.3L84 V100 L103 S110 E111 R116 W117 F118L84-V114 HydrophobicContact CD2-CG1 4.1Å; V100-V114 HydrophobicContact CG1-CB 4.26Å; V100-V114 HydrophobicContact CG1-CG1 4.06Å; L103-V114 HydrophobicContact CB-CG1 4.21Å; L103-V114 HydrophobicContact CD1-CG1 4.46Å; S110-V114 PolarHBondContact O-N 3.35Å; E111-V114 PolarHBondContact O-N 3.22Å; V114-R116 PolarHBondContact O-N 2.75Å; V114-W117 WeakPolarHBondContact O-CB 3.39Å; V114-W117 PolarHBondContact O-N 3.5Å; V114-W117 VanDerWaalsContact O-N 3.16Å; V114-F118 HydrophobicContact CG1-CD2 3.86Å; V114-F118 HydrophobicContact CG1-CE2 3.78Å; V114-F118 VanDerWaalsContact O-CD2 3.3Å; V114-F118 WeakPolarHBondContact O-CD2 3.03Å; V114-F118 PolarHBondContact O-N 3.21Å
115Q91.1Very high90.1Very high78 Ų7867 Ų6736%0.36432%0.319SS..Hα-helixtrans-58.9-45.2177.4-71.1175.9-10.700112.1V100 E111 W117 F118 R119V100-Q115 HydrophobicContact CG1-CG 4.14Å; V100-Q115 HydrophobicContact CG2-CG 4.5Å; E111-Q115 HydrophobicContact CG-CG 4.39Å; E111-Q115 WeakPolarHBondContact O-CB 3.36Å; E111-Q115 WeakPolarHBondContact O-CG 3.4Å; E111-Q115 PolarHBondContact O-N 3.23Å; E111-Q115 PolarHBondContact OE1-NE2 3.09Å; Q115-W117 VanDerWaalsContact C-N 3.32Å; Q115-W117 PolarHBondContact O-N 3.04Å; Q115-F118 PolarHBondContact O-N 3.42Å; Q115-R119 PolarHBondContact O-N 2.92Å
116R91.8Very high89.5Confident89 Ų8960 Ų6034%0.33629%0.288SS..Hα-helixtrans-62.1-38.9175.7-168.7178.1-166.4-166.12.1111.8R112 V114 R119 R120 E351R112-R116 WeakPolarHBondContact O-CB 3.06Å; R112-R116 PolarHBondContact O-N 3.14Å; V114-R116 PolarHBondContact O-N 2.75Å; R116-R119 PolarHBondContact O-N 3.08Å; R116-R120 VanDerWaalsContact NE-NH2 3.17Å; R116-R120 WeakPolarHBondContact O-CB 3.23Å; R116-R120 WeakPolarHBondContact O-CG 3.19Å; R116-R120 PolarHBondContact O-N 3.49Å; R116-E351 IonicContact CZ-OE1 3.73Å; R116-E351 IonicContact CZ-OE2 3.44Å; R116-E351 IonicContact NE-OE1 2.97Å; R116-E351 PolarHBondContact NE-OE1 2.99Å; R116-E351 IonicContact NH1-OE1 3.55Å; R116-E351 IonicContact NH2-OE1 2.81Å; R116-E351 PolarHBondContact NH2-OE1 3.44Å; R116-E351 IonicContact NH2-OE2 2.89Å; R116-E351 PolarHBondContact NH2-OE2 3.27Å
117W93.7Very high89.1Confident7 Ų755.1 Ų55.13%0.02727%0.268CS..Hα-helixtrans-60.7-48.6174.3-175.897000111.2P79 L84 E85 Y88 Q113 V114 Q115 R119 R120 R121P79-W117 PolarHBondContact O-NE1 2.65Å; L84-W117 VanDerWaalsContact C-CH2 3.45Å; L84-W117 HydrophobicContact CB-CD2 3.78Å; L84-W117 HydrophobicContact CB-CE3 3.63Å; L84-W117 HydrophobicContact CB-CH2 3.78Å; L84-W117 HydrophobicContact CB-CZ2 3.87Å; L84-W117 HydrophobicContact CB-CZ3 3.64Å; L84-W117 HydrophobicContact CD1-CB 3.96Å; L84-W117 HydrophobicContact CD1-CD2 3.62Å; L84-W117 HydrophobicContact CD1-CE3 3.94Å; L84-W117 HydrophobicContact CD1-CG 3.59Å; L84-W117 HydrophobicContact CG-CD2 4.36Å; L84-W117 HydrophobicContact CG-CE3 4.39Å; E85-W117 HydrophobicContact CB-CH2 4.34Å; E85-W117 HydrophobicContact CB-CZ2 4.32Å; E85-W117 WeakPolarHBondContact OE2-CH2 3.49Å; E85-W117 WeakPolarHBondContact OE2-CZ2 3.41Å; Y88-W117 HydrophobicContact CD2-CZ3 4.33Å; Y88-W117 HydrophobicContact CG-CH2 4.48Å; Y88-W117 HydrophobicContact CG-CZ3 4.39Å; Q113-W117 WeakPolarHBondContact O-CB 3.49Å; Q113-W117 PolarHBondContact O-N 2.89Å; V114-W117 WeakPolarHBondContact O-CB 3.39Å; V114-W117 PolarHBondContact O-N 3.5Å; V114-W117 VanDerWaalsContact O-N 3.16Å; Q115-W117 VanDerWaalsContact C-N 3.32Å; Q115-W117 PolarHBondContact O-N 3.04Å; W117-R119 PolarHBondContact O-N 2.92Å; W117-R120 PolarHBondContact O-N 3.11Å; W117-R121 HydrophobicContact CE3-CB 4.19Å; W117-R121 HydrophobicContact CH2-CB 3.97Å; W117-R121 HydrophobicContact CH2-CG 3.65Å; W117-R121 HydrophobicContact CZ2-CB 4.35Å; W117-R121 HydrophobicContact CZ2-CG 4.19Å; W117-R121 HydrophobicContact CZ3-CB 3.9Å; W117-R121 HydrophobicContact CZ3-CG 3.96Å; W117-R121 VanDerWaalsContact O-CB 3.29Å; W117-R121 WeakPolarHBondContact O-CB 3.42Å; W117-R121 PolarHBondContact O-N 2.73Å
118F92.4Very high88.9Confident2 Ų255.6 Ų55.61%0.00927%0.272CS..Hα-helixtrans-62.6-42.2177.6-86.2-86.6000111.8L84 Y87 Y88 P95 L103 V114 Q115 R121 R122L84-F118 HydrophobicContact CD2-CE2 4.13Å; Y87-F118 HydrophobicContact CD1-CE1 4.09Å; Y87-F118 AromaticContact CD1-CZ 3.7Å; Y87-F118 HydrophobicContact CD1-CZ 3.7Å; Y87-F118 HydrophobicContact CE1-CZ 4.35Å; Y88-F118 AromaticContact CD2-CD1 3.74Å; Y88-F118 HydrophobicContact CD2-CD1 3.74Å; Y88-F118 AromaticContact CD2-CE1 3.87Å; Y88-F118 HydrophobicContact CD2-CE1 3.87Å; Y88-F118 HydrophobicContact CE2-CD1 4.46Å; P95-F118 HydrophobicContact CB-CZ 4.46Å; P95-F118 HydrophobicContact CG-CD1 3.83Å; P95-F118 HydrophobicContact CG-CD2 3.85Å; P95-F118 HydrophobicContact CG-CE1 3.88Å; P95-F118 HydrophobicContact CG-CE2 3.91Å; P95-F118 HydrophobicContact CG-CG 3.84Å; P95-F118 HydrophobicContact CG-CZ 3.94Å; L103-F118 HydrophobicContact CD1-CE2 3.73Å; L103-F118 HydrophobicContact CD1-CZ 3.83Å; V114-F118 HydrophobicContact CG1-CD2 3.86Å; V114-F118 HydrophobicContact CG1-CE2 3.78Å; V114-F118 VanDerWaalsContact O-CD2 3.3Å; V114-F118 WeakPolarHBondContact O-CD2 3.03Å; V114-F118 PolarHBondContact O-N 3.21Å; Q115-F118 PolarHBondContact O-N 3.42Å; F118-R121 PolarHBondContact O-N 3.42Å; F118-R122 WeakPolarHBondContact O-CB 3.4Å; F118-R122 WeakPolarHBondContact O-CG 3.46Å; F118-R122 PolarHBondContact O-N 3.43Å
119R88.8Confident88.8Confident41 Ų4154.2 Ų54.216%0.15525%0.248CC..Hα-helixtrans-57.4-51.8174.2-176.3171.276.4-161.7-2.2111.3Q115 R116 W117 R121 R122 N123 E346 D348 S350 E351Q115-R119 PolarHBondContact O-N 2.92Å; R116-R119 PolarHBondContact O-N 3.08Å; W117-R119 PolarHBondContact O-N 2.92Å; R119-R121 PolarHBondContact O-N 3.21Å; R119-R122 PolarHBondContact O-N 2.83Å; R119-N123 WeakPolarHBondContact O-CB 3.46Å; R119-N123 PolarHBondContact O-N 3.39Å; R119-E346 HydrophobicContact CG-CB 4.12Å; R119-D348 IonicContact CZ-OD1 3.89Å; R119-D348 IonicContact NE-OD1 3.21Å; R119-D348 PolarHBondContact NE-OD1 3.35Å; R119-D348 IonicContact NH2-OD1 3.74Å; R119-D348 PolarHBondContact NH2-OD1 2.93Å; R119-S350 PolarHBondContact NH1-OG 3.01Å; R119-E351 IonicContact NH2-OE1 3.51Å
120R89.8Confident88.7Confident44 Ų4451.3 Ų51.317%0.16624%0.239CC..Hα-helixtrans-61.1-42.8177.7-73.7177.6176-176.7-3.6112.1A78 R116 W117 N123 Q124A78-R120 HydrophobicContact CB-CB 4Å; R116-R120 VanDerWaalsContact NE-NH2 3.17Å; R116-R120 WeakPolarHBondContact O-CB 3.23Å; R116-R120 WeakPolarHBondContact O-CG 3.19Å; R116-R120 PolarHBondContact O-N 3.49Å; W117-R120 PolarHBondContact O-N 3.11Å; R120-N123 PolarHBondContact O-N 3.34Å; R120-Q124 WeakPolarHBondContact O-CG 3.34Å; R120-Q124 PolarHBondContact O-N 3.47Å
121R91.3Very high88.5Confident37 Ų3752.2 Ų52.214%0.1424%0.235CC..Hα-helixtrans-65.2-39.5179.7-173.966.6-171.477.82.7112.3A78 E85 Y88 W117 F118 R119 Q124 D125A78-R121 HydrophobicContact CB-CB 4.1Å; E85-R121 VanDerWaalsContact CD-NE 3.34Å; E85-R121 IonicContact OE1-CZ 3.93Å; E85-R121 IonicContact OE1-NE 3.85Å; E85-R121 PolarHBondContact OE1-NE 3.27Å; E85-R121 IonicContact OE1-NH2 2.85Å; E85-R121 PolarHBondContact OE1-NH2 2.97Å; E85-R121 WeakPolarHBondContact OE2-CD 3.46Å; E85-R121 IonicContact OE2-CZ 2.73Å; E85-R121 IonicContact OE2-NE 3.42Å; E85-R121 PolarHBondContact OE2-NE 3.49Å; Y88-R121 HydrophobicContact CD1-CG 3.94Å; Y88-R121 HydrophobicContact CD2-CB 4.47Å; Y88-R121 HydrophobicContact CD2-CG 3.93Å; Y88-R121 HydrophobicContact CE1-CG 3.88Å; Y88-R121 HydrophobicContact CE2-CB 4.31Å; Y88-R121 HydrophobicContact CE2-CG 3.88Å; Y88-R121 HydrophobicContact CG-CG 3.97Å; W117-R121 HydrophobicContact CE3-CB 4.19Å; W117-R121 HydrophobicContact CH2-CB 3.97Å; W117-R121 HydrophobicContact CH2-CG 3.65Å; W117-R121 HydrophobicContact CZ2-CB 4.35Å; W117-R121 HydrophobicContact CZ2-CG 4.19Å; W117-R121 HydrophobicContact CZ3-CB 3.9Å; W117-R121 HydrophobicContact CZ3-CG 3.96Å; W117-R121 VanDerWaalsContact O-CB 3.29Å; W117-R121 WeakPolarHBondContact O-CB 3.42Å; W117-R121 PolarHBondContact O-N 2.73Å; F118-R121 PolarHBondContact O-N 3.42Å; R119-R121 PolarHBondContact O-N 3.21Å; R121-Q124 PolarHBondContact O-N 3.14Å; R121-D125 IonicContact CZ-OD1 3.54Å; R121-D125 VanDerWaalsContact NH1-CG 3.3Å; R121-D125 IonicContact NH1-OD1 2.92Å; R121-D125 PolarHBondContact NH1-OD1 2.97Å; R121-D125 IonicContact NH1-OD2 3.97Å; R121-D125 IonicContact NH2-OD1 3.85Å; R121-D125 PolarHBondContact O-N 2.94Å
122R89.6Confident88.5Confident41 Ų4150 Ų5016%0.15522%0.224CC..Hα-helixtrans-63.1-45170.5-73.8-166.8-61-88.8-1.6111.7Y88 K93 N94 F118 R119 Q124 D125 R126 E346Y88-R122 HydrophobicContact CE2-CG 3.82Å; K93-R122 HydrophobicContact CB-CG 4.49Å; K93-R122 PolarHBondContact O-NH1 3.26Å; N94-R122 WeakPolarHBondContact OD1-CD 3.37Å; N94-R122 PolarHBondContact OD1-NE 2.6Å; N94-R122 PolarHBondContact OD1-NH1 2.61Å; F118-R122 WeakPolarHBondContact O-CB 3.4Å; F118-R122 WeakPolarHBondContact O-CG 3.46Å; F118-R122 PolarHBondContact O-N 3.43Å; R119-R122 PolarHBondContact O-N 2.83Å; R122-Q124 VanDerWaalsContact C-N 3.27Å; R122-Q124 PolarHBondContact O-N 3.36Å; R122-D125 PolarHBondContact O-N 3.22Å; R122-R126 WeakPolarHBondContact O-CG 3.37Å; R122-R126 PolarHBondContact O-N 3.14Å; R122-E346 IonicContact CZ-OE1 3.64Å; R122-E346 IonicContact CZ-OE2 2.89Å; R122-E346 IonicContact NE-OE1 2.72Å; R122-E346 PolarHBondContact NE-OE1 2.86Å; R122-E346 IonicContact NE-OE2 2.63Å; R122-E346 PolarHBondContact NE-OE2 2.91Å; R122-E346 IonicContact NH2-OE1 2.84Å; R122-E346 IonicContact NH2-OE2 2.75Å; R122-E346 PolarHBondContact NH2-OE2 3.01Å
123N84.8Confident88.7Confident20 Ų2042.2 Ų42.211%0.10720%0.195CC..Hα-helixtrans-64.5-30.1177.9-75.3-14.6000112.7R75 R119 R120 R126 E346R75-N123 WeakPolarHBondContact CD-O 3.48Å; R75-N123 PolarHBondContact NH1-O 3.49Å; R119-N123 WeakPolarHBondContact O-CB 3.46Å; R119-N123 PolarHBondContact O-N 3.39Å; R120-N123 PolarHBondContact O-N 3.34Å; N123-R126 PolarHBondContact O-N 2.88Å; N123-E346 PolarHBondContact ND2-O 3.47Å
124Q84.8Confident88.8Confident64 Ų6440.5 Ų40.530%0.29919%0.185SC..Hα-helixtrans-69.2-36.3172.2-75.7176.7-54.100113.9R120 R121 R122 R126R120-Q124 WeakPolarHBondContact O-CG 3.34Å; R120-Q124 PolarHBondContact O-N 3.47Å; R121-Q124 PolarHBondContact O-N 3.14Å; R122-Q124 VanDerWaalsContact C-N 3.27Å; R122-Q124 PolarHBondContact O-N 3.36Å; Q124-R126 PolarHBondContact O-N 3.27Å
125D83.7Confident88.8Confident70 Ų7041 Ų4137%0.37419%0.187SC..Hα-helixtrans-67.4-20.7176.5-89.3-4.4000112.4Y88 K93 R121 R122Y88-D125 WeakPolarHBondContact CE1-OD2 3.38Å; Y88-D125 PolarHBondContact OH-OD2 3.46Å; K93-D125 IonicContact NZ-OD2 3.81Å; K93-D125 PolarHBondContact NZ-OD2 3.06Å; R121-D125 IonicContact CZ-OD1 3.54Å; R121-D125 VanDerWaalsContact NH1-CG 3.3Å; R121-D125 IonicContact NH1-OD1 2.92Å; R121-D125 PolarHBondContact NH1-OD1 2.97Å; R121-D125 IonicContact NH1-OD2 3.97Å; R121-D125 IonicContact NH2-OD1 3.85Å; R121-D125 PolarHBondContact O-N 2.94Å; R122-D125 PolarHBondContact O-N 3.22Å
126R79.9Confident89Confident38 Ų3837.4 Ų37.414%0.14317%0.17CC..SBendtrans-73.1142.9-176.1-70.6174.4-173.2-156.83110.8R75 R122 N123 Q124 K344 D345 E346R75-R126 VanDerWaalsContact NH1-C 3.34Å; R75-R126 VanDerWaalsContact NH1-CB 3.31Å; R75-R126 PolarHBondContact NH1-O 3.4Å; R122-R126 WeakPolarHBondContact O-CG 3.37Å; R122-R126 PolarHBondContact O-N 3.14Å; N123-R126 PolarHBondContact O-N 2.88Å; Q124-R126 PolarHBondContact O-N 3.27Å; R126-K344 VanDerWaalsContact CZ-O 3.28Å; R126-K344 PolarHBondContact NH1-O 3.38Å; R126-K344 PolarHBondContact NH2-O 3.45Å; R126-D345 VanDerWaalsContact NH1-N 3.13Å; R126-D345 IonicContact NH1-OD1 3.16Å; R126-D345 PolarHBondContact NH1-OD1 3.09Å; R126-D345 VanDerWaalsContact NH1-OD1 3.09Å; R126-E346 IonicContact NH2-OE1 3.27Å
127P81.7Confident89.2Confident34 Ų3433.2 Ų33.222%0.22115%0.154CC..PPolyproline II helixtrans-64.6149.4174.926.4-32.7000111.3R75 K131 K132 V201R75-P127 PolarHBondContact NH1-O 3.47Å; R75-P127 PolarHBondContact NH2-O 2.9Å; P127-K131 HydrophobicContact CB-CD 4.24Å; P127-K132 HydrophobicContact CB-CG 4.47Å; P127-K132 HydrophobicContact CG-CG 4.31Å; P127-V201 HydrophobicContact CB-CG1 4.47Å; P127-V201 HydrophobicContact CB-CG2 3.44Å; P127-V201 VanDerWaalsContact CB-CG2 3.44Å; P127-V201 HydrophobicContact CG-CB 4.2Å; P127-V201 HydrophobicContact CG-CG1 3.6Å; P127-V201 HydrophobicContact CG-CG2 3.53Å
128S85.6Confident89.3Confident38 Ų3833.4 Ų33.427%0.26616%0.155SC..PPolyproline II helixtrans-64.9149.6174.3113.60000110.1E72 L130 K131 K132E72-S128 VanDerWaalsContact CD-CB 3.43Å; E72-S128 VanDerWaalsContact CD-OG 3.31Å; E72-S128 WeakPolarHBondContact OE1-CA 3.36Å; E72-S128 WeakPolarHBondContact OE1-CB 3.22Å; E72-S128 PolarHBondContact OE1-OG 3.17Å; E72-S128 VanDerWaalsContact OE2-CB 3.3Å; E72-S128 WeakPolarHBondContact OE2-CB 3.48Å; E72-S128 PolarHBondContact OE2-OG 3.37Å; S128-L130 VanDerWaalsContact C-N 3.25Å; S128-L130 PolarHBondContact O-N 3.44Å; S128-L130 PolarHBondContact OG-N 2.7Å; S128-K131 WeakPolarHBondContact O-CB 3.19Å; S128-K131 PolarHBondContact O-N 3.37Å; S128-K131 PolarHBondContact OG-N 2.94Å; S128-K132 PolarHBondContact O-N 2.96Å; S128-K132 VanDerWaalsContact O-N 3.1Å
129L86.9Confident89.4Confident43 Ų4335.2 Ų35.223%0.22516%0.162CC..Hα-helixtrans-63.6-38.7178.4-175.965.4000110.2V70 E72 K131 K132 F133 Y254V70-L129 HydrophobicContact CG1-CD2 3.85Å; V70-L129 HydrophobicContact CG1-CG 3.89Å; E72-L129 PolarHBondContact OE1-N 3.09Å; L129-K131 VanDerWaalsContact C-N 3.33Å; L129-K131 PolarHBondContact O-N 2.98Å; L129-K132 PolarHBondContact O-N 3.43Å; L129-F133 PolarHBondContact O-N 3.01Å; L129-Y254 HydrophobicContact CD1-CD1 3.58Å; L129-Y254 HydrophobicContact CD1-CE1 4.46Å; L129-Y254 HydrophobicContact CD1-CG 3.8Å
130L89.1Confident89.9Confident38 Ų3835.6 Ų35.620%0.19917%0.165CC..Hα-helixtrans-61.4-40.1174.4-176.359.2000111.8A65 E72 S128 F133 R134A65-L130 HydrophobicContact CB-CD1 3.4Å; A65-L130 VanDerWaalsContact CB-CD1 3.4Å; E72-L130 WeakPolarHBondContact OE2-CB 3.29Å; E72-L130 PolarHBondContact OE2-N 3.05Å; S128-L130 VanDerWaalsContact C-N 3.25Å; S128-L130 PolarHBondContact O-N 3.44Å; S128-L130 PolarHBondContact OG-N 2.7Å; L130-F133 PolarHBondContact O-N 3.46Å; L130-R134 HydrophobicContact CD1-CG 4.4Å; L130-R134 WeakPolarHBondContact O-CB 3.16Å; L130-R134 VanDerWaalsContact O-CG 3.25Å; L130-R134 WeakPolarHBondContact O-CG 3.22Å; L130-R134 PolarHBondContact O-N 3.33Å
131K89.5Confident90.2Very high76 Ų7635.4 Ų35.433%0.3317%0.169SC..Hα-helixtrans-60.4-49.6174.3-172.9-179.8177.7-172.70110.6P127 S128 L129 F133 R134 E135 S199 V201P127-K131 HydrophobicContact CB-CD 4.24Å; S128-K131 WeakPolarHBondContact O-CB 3.19Å; S128-K131 PolarHBondContact O-N 3.37Å; S128-K131 PolarHBondContact OG-N 2.94Å; L129-K131 VanDerWaalsContact C-N 3.33Å; L129-K131 PolarHBondContact O-N 2.98Å; K131-F133 VanDerWaalsContact C-N 3.3Å; K131-F133 PolarHBondContact O-N 3.12Å; K131-R134 PolarHBondContact O-N 3.11Å; K131-E135 WeakPolarHBondContact CE-OE1 3.25Å; K131-E135 IonicContact NZ-OE1 3.94Å; K131-E135 WeakPolarHBondContact O-CG 3.36Å; K131-E135 PolarHBondContact O-N 3.33Å; K131-S199 PolarHBondContact NZ-O 3.41Å; K131-V201 HydrophobicContact CD-CG2 4.35Å
132K90.8Very high90.5Very high25 Ų2534.3 Ų34.311%0.10917%0.165CC..Hα-helixtrans-58.5-41.7177.6-64.7179.7-176.3179.10111.9P127 S128 L129 A136 Y254P127-K132 HydrophobicContact CB-CG 4.47Å; P127-K132 HydrophobicContact CG-CG 4.31Å; S128-K132 PolarHBondContact O-N 2.96Å; S128-K132 VanDerWaalsContact O-N 3.1Å; L129-K132 PolarHBondContact O-N 3.43Å; K132-A136 WeakPolarHBondContact O-CB 3.4Å; K132-A136 PolarHBondContact O-N 2.9Å; K132-Y254 HydrophobicContact CB-CD2 4.18Å; K132-Y254 HydrophobicContact CB-CE1 4.41Å; K132-Y254 HydrophobicContact CB-CE2 3.68Å; K132-Y254 HydrophobicContact CD-CE1 4.28Å
133F93.3Very high90.8Very high0 Ų032.9 Ų32.90%016%0.16CC..Hα-helixtrans-65-45.4177.5-177.7-81.7000112.4L64 A65 L68 V70 L129 L130 K131 E135 A136 S137 M251 Y254L64-F133 HydrophobicContact CB-CE1 4.46Å; L64-F133 HydrophobicContact CD2-CE1 4.36Å; L64-F133 HydrophobicContact CD2-CZ 4.26Å; L64-F133 HydrophobicContact CG-CE1 4.27Å; L64-F133 HydrophobicContact CG-CZ 4.12Å; A65-F133 HydrophobicContact CB-CD1 3.52Å; A65-F133 HydrophobicContact CB-CE1 3.68Å; A65-F133 HydrophobicContact CB-CG 4.16Å; A65-F133 HydrophobicContact CB-CZ 4.42Å; L68-F133 HydrophobicContact CD1-CE2 3.86Å; L68-F133 HydrophobicContact CD1-CZ 3.67Å; V70-F133 HydrophobicContact CG2-CD2 3.68Å; V70-F133 HydrophobicContact CG2-CE2 3.96Å; V70-F133 HydrophobicContact CG2-CG 4.13Å; L129-F133 PolarHBondContact O-N 3.01Å; L130-F133 PolarHBondContact O-N 3.46Å; K131-F133 VanDerWaalsContact C-N 3.3Å; K131-F133 PolarHBondContact O-N 3.12Å; F133-E135 PolarHBondContact O-N 3Å; F133-A136 PolarHBondContact O-N 3.11Å; F133-S137 VanDerWaalsContact O-CB 3.31Å; F133-S137 WeakPolarHBondContact O-CB 3.47Å; F133-S137 PolarHBondContact O-N 3.23Å; F133-M251 HydrophobicContact CD2-CB 4.22Å; F133-M251 HydrophobicContact CD2-CG 4.37Å; F133-M251 HydrophobicContact CE1-CE 4.31Å; F133-M251 HydrophobicContact CE2-CB 3.74Å; F133-M251 HydrophobicContact CE2-CE 4.12Å; F133-M251 HydrophobicContact CE2-CG 4.05Å; F133-M251 HydrophobicContact CZ-CB 4.39Å; F133-M251 HydrophobicContact CZ-CE 3.63Å; F133-M251 HydrophobicContact CZ-CG 4.39Å; F133-Y254 HydrophobicContact CB-CD2 4.11Å; F133-Y254 HydrophobicContact CD2-CD2 4.49Å
134R93.9Very high91.4Very high65 Ų6534.6 Ų34.625%0.24517%0.168CC..Hα-helixtrans-59.1-47177.3-75.2170174.3163.4-0.7111.8E57 A61 T62 L130 K131 S137 W138E57-R134 HydrophobicContact CB-CB 4.27Å; E57-R134 HydrophobicContact CB-CG 4.45Å; E57-R134 HydrophobicContact CG-CB 4.01Å; A61-R134 HydrophobicContact CB-CB 4.23Å; A61-R134 HydrophobicContact CB-CG 3.91Å; T62-R134 VanDerWaalsContact CG2-NH2 3.28Å; T62-R134 PolarHBondContact OG1-NE 3.48Å; T62-R134 PolarHBondContact OG1-NH2 3.43Å; L130-R134 HydrophobicContact CD1-CG 4.4Å; L130-R134 WeakPolarHBondContact O-CB 3.16Å; L130-R134 VanDerWaalsContact O-CG 3.25Å; L130-R134 WeakPolarHBondContact O-CG 3.22Å; L130-R134 PolarHBondContact O-N 3.33Å; K131-R134 PolarHBondContact O-N 3.11Å; R134-S137 PolarHBondContact O-N 2.79Å; R134-W138 PolarHBondContact O-N 3.06Å
135E92.7Very high92Very high11 Ų1136.5 Ų36.55%0.05118%0.18CC..Hα-helixtrans-61.3-44.8177.1-67.9-175.7177.500111.7R53 K131 F133 W138 R139 V201R53-E135 IonicContact NH2-OE1 2.79Å; K131-E135 WeakPolarHBondContact CE-OE1 3.25Å; K131-E135 IonicContact NZ-OE1 3.94Å; K131-E135 WeakPolarHBondContact O-CG 3.36Å; K131-E135 PolarHBondContact O-N 3.33Å; F133-E135 PolarHBondContact O-N 3Å; E135-W138 PolarHBondContact O-N 3.42Å; E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-N 2.81Å; E135-R139 VanDerWaalsContact O-N 3.17Å; E135-V201 WeakPolarHBondContact OE2-CG2 3.44Å; E135-V201 PolarHBondContact OE2-N 3.27Å
136A94.2Very high92.6Very high2 Ų233.6 Ų33.62%0.01717%0.166CC..Hα-helixtrans-64.8-42.1177.600000112.1K132 F133 W138 R139 F140 E247 K250 M251 Y254K132-A136 WeakPolarHBondContact O-CB 3.4Å; K132-A136 PolarHBondContact O-N 2.9Å; F133-A136 PolarHBondContact O-N 3.11Å; A136-W138 PolarHBondContact O-N 3.29Å; A136-R139 PolarHBondContact O-N 2.89Å; A136-F140 VanDerWaalsContact O-CB 3.3Å; A136-F140 WeakPolarHBondContact O-CB 3.07Å; A136-F140 PolarHBondContact O-N 3.34Å; A136-E247 WeakPolarHBondContact CA-OE2 3.38Å; A136-K250 HydrophobicContact CB-CB 4.21Å; A136-M251 HydrophobicContact CB-CG 3.95Å; A136-Y254 HydrophobicContact CB-CE2 4.21Å
137S96.6Very high93.5Very high1 Ų134 Ų341%0.00717%0.169CC..Hα-helixtrans-64.9-38.3178.61800000113.1F133 R134 T141 M251F133-S137 VanDerWaalsContact O-CB 3.31Å; F133-S137 WeakPolarHBondContact O-CB 3.47Å; F133-S137 PolarHBondContact O-N 3.23Å; R134-S137 PolarHBondContact O-N 2.79Å; S137-T141 WeakPolarHBondContact O-CB 3.4Å; S137-T141 PolarHBondContact O-N 3.32Å; S137-T141 PolarHBondContact O-OG1 3.34Å; S137-M251 VanDerWaalsContact CA-SD 3.56Å
138W96.4Very high94.2Very high12 Ų1237 Ų375%0.04518%0.182CC..Hα-helixtrans-61.5-50.8173.4170.9-112.3000111.4F49 I52 R53 F56 R134 E135 A136 T141 F142 F189F49-W138 AromaticContact CD1-CH2 3.98Å; F49-W138 HydrophobicContact CD1-CH2 3.98Å; F49-W138 AromaticContact CD1-CZ2 3.8Å; F49-W138 HydrophobicContact CD1-CZ2 3.8Å; I52-W138 HydrophobicContact CB-CH2 4.01Å; I52-W138 HydrophobicContact CG2-CH2 3.51Å; I52-W138 HydrophobicContact CG2-CZ3 3.72Å; R53-W138 HydrophobicContact CB-CD2 3.94Å; R53-W138 HydrophobicContact CB-CE3 4.44Å; R53-W138 HydrophobicContact CB-CG 4.41Å; R53-W138 HydrophobicContact CB-CH2 4.27Å; R53-W138 HydrophobicContact CB-CZ2 3.76Å; R53-W138 HydrophobicContact CG-CD2 3.89Å; R53-W138 HydrophobicContact CG-CG 3.84Å; F56-W138 HydrophobicContact CB-CE3 3.69Å; F56-W138 HydrophobicContact CB-CZ3 3.81Å; F56-W138 HydrophobicContact CD1-CB 4.1Å; F56-W138 HydrophobicContact CD1-CD2 4.48Å; F56-W138 AromaticContact CD1-CE3 3.65Å; F56-W138 HydrophobicContact CD1-CE3 3.65Å; F56-W138 HydrophobicContact CD1-CZ3 4.5Å; F56-W138 HydrophobicContact CD2-CE3 4.19Å; F56-W138 HydrophobicContact CD2-CZ3 4.34Å; F56-W138 HydrophobicContact CE1-CB 4.25Å; F56-W138 HydrophobicContact CE1-CE3 4.34Å; F56-W138 AromaticContact CG-CE3 3.57Å; F56-W138 HydrophobicContact CG-CE3 3.57Å; F56-W138 AromaticContact CG-CZ3 3.97Å; F56-W138 HydrophobicContact CG-CZ3 3.97Å; R134-W138 PolarHBondContact O-N 3.06Å; E135-W138 PolarHBondContact O-N 3.42Å; A136-W138 PolarHBondContact O-N 3.29Å; W138-T141 PolarHBondContact O-N 3.17Å; W138-F142 PolarHBondContact O-N 3.39Å; W138-F189 HydrophobicContact CZ2-CE2 4.39Å; W138-F189 AromaticContact NE1-CE2 3.72Å
139R95.1Very high94.7Very high39 Ų3937.6 Ų37.615%0.14719%0.189CC..Hα-helixtrans-63.9-42.7179.6-69178.3-175.9-1630.5112E135 A136 T141 F142 Y143 D200 E247E135-R139 WeakPolarHBondContact O-CG 3.46Å; E135-R139 PolarHBondContact O-N 2.81Å; E135-R139 VanDerWaalsContact O-N 3.17Å; A136-R139 PolarHBondContact O-N 2.89Å; R139-T141 VanDerWaalsContact C-N 3.34Å; R139-T141 PolarHBondContact O-N 2.71Å; R139-F142 PolarHBondContact O-N 3.46Å; R139-Y143 HydrophobicContact CB-CD2 4.12Å; R139-Y143 HydrophobicContact CB-CE2 3.83Å; R139-Y143 HydrophobicContact CG-CE2 4.47Å; R139-Y143 WeakPolarHBondContact O-CB 3.45Å; R139-Y143 WeakPolarHBondContact O-CD2 3.21Å; R139-Y143 PolarHBondContact O-N 3.17Å; R139-D200 IonicContact NH2-OD2 3.11Å; R139-D200 PolarHBondContact NH2-OD2 2.9Å; R139-E247 HydrophobicContact CB-CG 3.76Å
140F97.2Very high95.1Very high49 Ų4935.5 Ų35.522%0.21518%0.178CC..Hα-helixtrans-52.6-51.9173.1166.6-109000111.7A136 F142 Y143 L144 Y244 E247 S248 M251A136-F140 VanDerWaalsContact O-CB 3.3Å; A136-F140 WeakPolarHBondContact O-CB 3.07Å; A136-F140 PolarHBondContact O-N 3.34Å; F140-F142 VanDerWaalsContact C-N 3.34Å; F140-F142 PolarHBondContact O-N 3.43Å; F140-Y143 PolarHBondContact O-N 2.87Å; F140-L144 HydrophobicContact CE1-CD2 4.34Å; F140-L144 HydrophobicContact CE2-CB 4.48Å; F140-L144 HydrophobicContact CE2-CD2 4.3Å; F140-L144 HydrophobicContact CZ-CD2 3.8Å; F140-L144 VanDerWaalsContact O-CB 3.31Å; F140-L144 WeakPolarHBondContact O-CB 3.3Å; F140-L144 PolarHBondContact O-N 2.74Å; F140-Y244 VanDerWaalsContact CD2-O 3.26Å; F140-Y244 WeakPolarHBondContact CD2-O 3.37Å; F140-E247 HydrophobicContact CB-CB 3.75Å; F140-S248 WeakPolarHBondContact CD2-OG 3.4Å; F140-S248 WeakPolarHBondContact CE2-OG 3.48Å; F140-M251 HydrophobicContact CB-SD 3.85Å; F140-M251 HydrophobicContact CD1-SD 4.08Å; F140-M251 HydrophobicContact CG-SD 4.02Å
141T97.2Very high95.5Very high40 Ų4036.8 Ų36.825%0.24519%0.185CC..Hα-helixtrans-62-44.6-177.1-55.20000110.8F56 S137 W138 R139 L145F56-T141 HydrophobicContact CE2-CG2 4.08Å; F56-T141 HydrophobicContact CZ-CG2 4.37Å; F56-T141 VanDerWaalsContact CZ-OG1 3.22Å; F56-T141 WeakPolarHBondContact CZ-OG1 3.38Å; S137-T141 WeakPolarHBondContact O-CB 3.4Å; S137-T141 PolarHBondContact O-N 3.32Å; S137-T141 PolarHBondContact O-OG1 3.34Å; W138-T141 PolarHBondContact O-N 3.17Å; R139-T141 VanDerWaalsContact C-N 3.34Å; R139-T141 PolarHBondContact O-N 2.71Å; T141-L145 HydrophobicContact CG2-CD1 4.06Å; T141-L145 WeakPolarHBondContact O-CB 3.45Å; T141-L145 VanDerWaalsContact O-CG 3.23Å; T141-L145 WeakPolarHBondContact O-CG 3.31Å; T141-L145 PolarHBondContact O-N 3.34Å
142F96.5Very high95.8Very high15 Ų1536.5 Ų36.57%0.06620%0.197CC..Hα-helixtrans-62.6-55.1176.8179.5-89.3000112F49 W138 R139 F140 L144 L145 A146 I185 F189F49-F142 AromaticContact CE1-CD2 3.94Å; F49-F142 HydrophobicContact CE1-CD2 3.94Å; F49-F142 AromaticContact CE1-CE2 3.99Å; F49-F142 HydrophobicContact CE1-CE2 3.99Å; F49-F142 HydrophobicContact CE2-CE2 4.33Å; F49-F142 HydrophobicContact CZ-CD2 4.09Å; F49-F142 AromaticContact CZ-CE2 3.65Å; F49-F142 HydrophobicContact CZ-CE2 3.65Å; W138-F142 PolarHBondContact O-N 3.39Å; R139-F142 PolarHBondContact O-N 3.46Å; F140-F142 VanDerWaalsContact C-N 3.34Å; F140-F142 PolarHBondContact O-N 3.43Å; F142-L144 VanDerWaalsContact C-N 3.27Å; F142-L144 PolarHBondContact O-N 3.47Å; F142-L145 PolarHBondContact O-N 3.13Å; F142-L145 VanDerWaalsContact O-N 3.09Å; F142-A146 HydrophobicContact CD1-CB 4.29Å; F142-A146 HydrophobicContact CE1-CB 3.81Å; F142-A146 HydrophobicContact CZ-CB 4.11Å; F142-A146 WeakPolarHBondContact O-CB 3.31Å; F142-A146 PolarHBondContact O-N 3.06Å; F142-I185 HydrophobicContact CE2-CG2 4.14Å; F142-I185 HydrophobicContact CZ-CG2 4.47Å; F142-F189 HydrophobicContact CB-CD2 4.22Å; F142-F189 HydrophobicContact CB-CE1 4.43Å; F142-F189 HydrophobicContact CB-CE2 3.6Å; F142-F189 HydrophobicContact CB-CZ 3.72Å; F142-F189 HydrophobicContact CD1-CB 4.48Å; F142-F189 AromaticContact CD1-CD1 3.31Å; F142-F189 HydrophobicContact CD1-CD1 3.31Å; F142-F189 AromaticContact CD1-CD2 3.77Å; F142-F189 HydrophobicContact CD1-CD2 3.77Å; F142-F189 AromaticContact CD1-CE1 3.17Å; F142-F189 HydrophobicContact CD1-CE1 3.17Å; F142-F189 AromaticContact CD1-CE2 3.66Å; F142-F189 HydrophobicContact CD1-CE2 3.66Å; F142-F189 AromaticContact CD1-CG 3.59Å; F142-F189 HydrophobicContact CD1-CG 3.59Å; F142-F189 AromaticContact CD1-CZ 3.36Å; F142-F189 HydrophobicContact CD1-CZ 3.36Å; F142-F189 HydrophobicContact CD2-CB 4.16Å; F142-F189 HydrophobicContact CD2-CD1 4.29Å; F142-F189 AromaticContact CD2-CD2 3.33Å; F142-F189 HydrophobicContact CD2-CD2 3.33Å; F142-F189 AromaticContact CD2-CE2 3.65Å; F142-F189 HydrophobicContact CD2-CE2 3.65Å; F142-F189 AromaticContact CD2-CG 3.67Å; F142-F189 HydrophobicContact CD2-CG 3.67Å; F142-F189 HydrophobicContact CD2-CZ 4.25Å; F142-F189 HydrophobicContact CE1-CB 3.81Å; F142-F189 AromaticContact CE1-CD1 3.08Å; F142-F189 HydrophobicContact CE1-CD1 3.08Å; F142-F189 AromaticContact CE1-CD2 3.97Å; F142-F189 HydrophobicContact CE1-CD2 3.97Å; F142-F189 AromaticContact CE1-CE1 3.47Å; F142-F189 HydrophobicContact CE1-CE1 3.47Å; F142-F189 VanDerWaalsContact CE1-CE1 3.47Å; F142-F189 HydrophobicContact CE1-CE2 4.3Å; F142-F189 AromaticContact CE1-CG 3.34Å; F142-F189 HydrophobicContact CE1-CG 3.34Å; F142-F189 HydrophobicContact CE1-CZ 4.07Å; F142-F189 HydrophobicContact CE2-CB 3.41Å; F142-F189 VanDerWaalsContact CE2-CB 3.41Å; F142-F189 HydrophobicContact CE2-CD1 4.09Å; F142-F189 AromaticContact CE2-CD2 3.54Å; F142-F189 HydrophobicContact CE2-CD2 3.54Å; F142-F189 HydrophobicContact CE2-CE2 4.28Å; F142-F189 AromaticContact CE2-CG 3.41Å; F142-F189 HydrophobicContact CE2-CG 3.41Å; F142-F189 VanDerWaalsContact CE2-CG 3.41Å; F142-F189 AromaticContact CG-CD1 3.94Å; F142-F189 HydrophobicContact CG-CD1 3.94Å; F142-F189 AromaticContact CG-CD2 3.46Å; F142-F189 HydrophobicContact CG-CD2 3.46Å; F142-F189 VanDerWaalsContact CG-CD2 3.46Å; F142-F189 AromaticContact CG-CE1 3.79Å; F142-F189 HydrophobicContact CG-CE1 3.79Å; F142-F189 AromaticContact CG-CE2 3.3Å; F142-F189 HydrophobicContact CG-CE2 3.3Å; F142-F189 AromaticContact CG-CG 3.76Å; F142-F189 HydrophobicContact CG-CG 3.76Å; F142-F189 AromaticContact CG-CZ 3.47Å; F142-F189 HydrophobicContact CG-CZ 3.47Å; F142-F189 VanDerWaalsContact CG-CZ 3.47Å; F142-F189 HydrophobicContact CZ-CB 3.21Å; F142-F189 AromaticContact CZ-CD1 3.51Å; F142-F189 HydrophobicContact CZ-CD1 3.51Å; F142-F189 AromaticContact CZ-CD2 3.87Å; F142-F189 HydrophobicContact CZ-CD2 3.87Å; F142-F189 HydrophobicContact CZ-CE1 4.27Å; F142-F189 AromaticContact CZ-CG 3.24Å; F142-F189 HydrophobicContact CZ-CG 3.24Å
143Y96.9Very high96Very high11 Ų1135.8 Ų35.84%0.04320%0.196CC..Hα-helixtrans-61.3-35.6-175.7-67.8-49000112.5R139 F140 F147 F189 D243 E247R139-Y143 HydrophobicContact CB-CD2 4.12Å; R139-Y143 HydrophobicContact CB-CE2 3.83Å; R139-Y143 HydrophobicContact CG-CE2 4.47Å; R139-Y143 WeakPolarHBondContact O-CB 3.45Å; R139-Y143 WeakPolarHBondContact O-CD2 3.21Å; R139-Y143 PolarHBondContact O-N 3.17Å; F140-Y143 PolarHBondContact O-N 2.87Å; Y143-F147 WeakPolarHBondContact O-CB 3.34Å; Y143-F147 PolarHBondContact O-N 3.41Å; Y143-F189 AromaticContact CE1-CE1 3.88Å; Y143-F189 HydrophobicContact CE1-CE1 3.88Å; Y143-D243 HydrophobicContact CD1-CB 4.15Å; Y143-D243 HydrophobicContact CD2-CB 3.78Å; Y143-D243 HydrophobicContact CE1-CB 4.47Å; Y143-D243 HydrophobicContact CE2-CB 4.13Å; Y143-D243 HydrophobicContact CG-CB 3.82Å; Y143-E247 HydrophobicContact CD2-CG 4.03Å; Y143-E247 HydrophobicContact CE2-CG 4.17Å
144L97.7Very high96.2Very high55 Ų5535.8 Ų35.829%0.28820%0.196SC..Hα-helixtrans-64.4-47175.117962.5000111.4F140 F142 I148 Y244F140-L144 HydrophobicContact CE1-CD2 4.34Å; F140-L144 HydrophobicContact CE2-CB 4.48Å; F140-L144 HydrophobicContact CE2-CD2 4.3Å; F140-L144 HydrophobicContact CZ-CD2 3.8Å; F140-L144 VanDerWaalsContact O-CB 3.31Å; F140-L144 WeakPolarHBondContact O-CB 3.3Å; F140-L144 PolarHBondContact O-N 2.74Å; F142-L144 VanDerWaalsContact C-N 3.27Å; F142-L144 PolarHBondContact O-N 3.47Å; L144-I148 HydrophobicContact CD1-CD1 4.09Å; L144-I148 HydrophobicContact CG-CD1 4.11Å; L144-I148 VanDerWaalsContact O-CG1 3.3Å; L144-I148 WeakPolarHBondContact O-CG1 3.21Å; L144-I148 PolarHBondContact O-N 2.88Å; L144-I148 VanDerWaalsContact O-N 3.09Å; L144-Y244 HydrophobicContact CB-CG 4.38Å; L144-Y244 HydrophobicContact CD1-CD2 4.11Å; L144-Y244 HydrophobicContact CD1-CE2 4.36Å; L144-Y244 HydrophobicContact CD1-CG 4.24Å
145L97.4Very high96.3Very high105 Ų10536.9 Ų36.955%0.5521%0.206SC..Hα-helixtrans-67.7-39.6179-68.1174.9000111.8T141 F142 I148 A149T141-L145 HydrophobicContact CG2-CD1 4.06Å; T141-L145 WeakPolarHBondContact O-CB 3.45Å; T141-L145 VanDerWaalsContact O-CG 3.23Å; T141-L145 WeakPolarHBondContact O-CG 3.31Å; T141-L145 PolarHBondContact O-N 3.34Å; F142-L145 PolarHBondContact O-N 3.13Å; F142-L145 VanDerWaalsContact O-N 3.09Å; L145-I148 PolarHBondContact O-N 2.84Å; L145-A149 VanDerWaalsContact O-CB 3.25Å; L145-A149 WeakPolarHBondContact O-CB 3.41Å; L145-A149 PolarHBondContact O-N 3.47Å
146A96.3Very high96.4Very high9 Ų941.4 Ų41.47%0.07423%0.23CC..Hα-helixtrans-61.1-46.917600000111.1F142 I148 A149 G150F142-A146 HydrophobicContact CD1-CB 4.29Å; F142-A146 HydrophobicContact CE1-CB 3.81Å; F142-A146 HydrophobicContact CZ-CB 4.11Å; F142-A146 WeakPolarHBondContact O-CB 3.31Å; F142-A146 PolarHBondContact O-N 3.06Å; A146-I148 PolarHBondContact O-N 3.17Å; A146-A149 PolarHBondContact O-N 2.67Å; A146-G150 PolarHBondContact O-N 3.28Å
147F97.5Very high96.5Very high47 Ų4742.9 Ų42.921%0.20624%0.236CC..Hα-helixtrans-61-45.3176.1179.5-109.8000112.6Y143 G150 L151 L237 D240 Y244Y143-F147 WeakPolarHBondContact O-CB 3.34Å; Y143-F147 PolarHBondContact O-N 3.41Å; F147-G150 PolarHBondContact O-N 2.98Å; F147-L151 WeakPolarHBondContact O-CB 3.48Å; F147-L151 PolarHBondContact O-N 3.25Å; F147-L237 HydrophobicContact CD2-CD1 3.86Å; F147-L237 HydrophobicContact CE2-CD1 3.88Å; F147-D240 HydrophobicContact CB-CB 4.02Å; F147-Y244 HydrophobicContact CB-CD1 4.29Å; F147-Y244 HydrophobicContact CB-CE1 4.08Å; F147-Y244 AromaticContact CD1-CE1 3.75Å; F147-Y244 HydrophobicContact CD1-CE1 3.75Å; F147-Y244 HydrophobicContact CE1-CE1 4.36Å; F147-Y244 AromaticContact CG-CE1 3.87Å; F147-Y244 HydrophobicContact CG-CE1 3.87Å
148I97.3Very high96.4Very high95 Ų9546 Ų4649%0.48726%0.256SS..Hα-helixtrans-63.1-44.9177.2-67.7167.4000110.8L144 L145 A146 L151 A152L144-I148 HydrophobicContact CD1-CD1 4.09Å; L144-I148 HydrophobicContact CG-CD1 4.11Å; L144-I148 VanDerWaalsContact O-CG1 3.3Å; L144-I148 WeakPolarHBondContact O-CG1 3.21Å; L144-I148 PolarHBondContact O-N 2.88Å; L144-I148 VanDerWaalsContact O-N 3.09Å; L145-I148 PolarHBondContact O-N 2.84Å; A146-I148 PolarHBondContact O-N 3.17Å; I148-L151 PolarHBondContact O-N 2.94Å; I148-A152 WeakPolarHBondContact O-CB 3.48Å; I148-A152 PolarHBondContact O-N 3.35Å
149A96.1Very high96.3Very high51 Ų5146.1 Ų46.142%0.42126%0.257SS..Hα-helixtrans-65.1-42.8178.900000111.9L145 A146 A152 A153L145-A149 VanDerWaalsContact O-CB 3.25Å; L145-A149 WeakPolarHBondContact O-CB 3.41Å; L145-A149 PolarHBondContact O-N 3.47Å; A146-A149 PolarHBondContact O-N 2.67Å; A149-A152 PolarHBondContact O-N 3.02Å; A149-A153 VanDerWaalsContact O-CB 3.31Å; A149-A153 WeakPolarHBondContact O-CB 3.25Å; A149-A153 PolarHBondContact O-N 3.35Å
150G96.3Very high96.2Very high0 Ų046.1 Ų46.10%026%0.26CS..Hα-helixtrans-61.7-44.7175.600000111.8A146 F147 A153 L154A146-G150 PolarHBondContact O-N 3.28Å; F147-G150 PolarHBondContact O-N 2.98Å; G150-A153 PolarHBondContact O-N 3.09Å; G150-L154 WeakPolarHBondContact O-CB 3.47Å; G150-L154 WeakPolarHBondContact O-CG 2.89Å; G150-L154 PolarHBondContact O-N 2.92Å
151L96.6Very high96.1Very high65 Ų6551.7 Ų51.734%0.3428%0.28SS..Hα-helixtrans-62.8-47.1175.3-175.162000110.9F147 I148 A153 L154 I155 L237F147-L151 WeakPolarHBondContact O-CB 3.48Å; F147-L151 PolarHBondContact O-N 3.25Å; I148-L151 PolarHBondContact O-N 2.94Å; L151-A153 VanDerWaalsContact C-N 3.27Å; L151-A153 PolarHBondContact O-N 3.32Å; L151-L154 PolarHBondContact O-N 3.47Å; L151-L154 VanDerWaalsContact O-N 3.13Å; L151-I155 VanDerWaalsContact O-CB 3.29Å; L151-I155 WeakPolarHBondContact O-CB 3.35Å; L151-I155 PolarHBondContact O-N 3.48Å; L151-L237 HydrophobicContact CB-CD1 4.32Å
152A96.4Very high95.9Very high69 Ų6953.1 Ų53.157%0.5729%0.286SS*.Hα-helixtrans-61-34.6177.400000112.8I148 A149 L154I148-A152 WeakPolarHBondContact O-CB 3.48Å; I148-A152 PolarHBondContact O-N 3.35Å; A149-A152 PolarHBondContact O-N 3.02Å; A152-L154 VanDerWaalsContact C-N 3.31Å; A152-L154 PolarHBondContact O-N 3.21Å
153A95.3Very high95.6Very high11 Ų1153.1 Ų53.19%0.09129%0.288CS..Hα-helixtrans-74.5-19.2178.200000113.9A149 G150 L151A149-A153 VanDerWaalsContact O-CB 3.31Å; A149-A153 WeakPolarHBondContact O-CB 3.25Å; A149-A153 PolarHBondContact O-N 3.35Å; G150-A153 PolarHBondContact O-N 3.09Å; L151-A153 VanDerWaalsContact C-N 3.27Å; L151-A153 PolarHBondContact O-N 3.32Å
154L96.2Very high95.2Very high0 Ų056.5 Ų56.50%030%0.303CS..Hα-helixtrans-118.9-18-170.3-69177.3000115.1G150 L151 A152 D156 K157 W159 L160 L237G150-L154 WeakPolarHBondContact O-CB 3.47Å; G150-L154 WeakPolarHBondContact O-CG 2.89Å; G150-L154 PolarHBondContact O-N 2.92Å; L151-L154 PolarHBondContact O-N 3.47Å; L151-L154 VanDerWaalsContact O-N 3.13Å; A152-L154 VanDerWaalsContact C-N 3.31Å; A152-L154 PolarHBondContact O-N 3.21Å; L154-D156 PolarHBondContact O-N 3.47Å; L154-D156 VanDerWaalsContact O-N 3.16Å; L154-K157 HydrophobicContact CD2-CG 4.37Å; L154-K157 VanDerWaalsContact O-CB 3.3Å; L154-K157 WeakPolarHBondContact O-CB 3.49Å; L154-K157 PolarHBondContact O-N 3.24Å; L154-W159 HydrophobicContact CD2-CZ2 4.24Å; L154-W159 VanDerWaalsContact CD2-NE1 3.26Å; L154-L160 HydrophobicContact CB-CD1 4.38Å; L154-L160 HydrophobicContact CB-CD2 4.42Å; L154-L160 WeakPolarHBondContact O-CD2 3.2Å; L154-L237 HydrophobicContact CD1-CB 3.97Å; L154-L237 HydrophobicContact CD1-CD2 3.78Å; L154-L237 HydrophobicContact CD1-CG 4.42Å
155I96.1Very high94.9Very high88 Ų8855.9 Ų55.945%0.45130%0.298SS..THydrogen-bonded Turntrans-60.9-28.5-172.2-163.9162.4000113.7L151 K157 Y161L151-I155 VanDerWaalsContact O-CB 3.29Å; L151-I155 WeakPolarHBondContact O-CB 3.35Å; L151-I155 PolarHBondContact O-N 3.48Å; I155-K157 VanDerWaalsContact C-N 3.34Å; I155-Y161 WeakPolarHBondContact O-CE2 3.37Å; I155-Y161 PolarHBondContact O-OH 3.02Å
156D95.2Very high94.6Very high106 Ų10650.9 Ų50.957%0.56727%0.272SS*.THydrogen-bonded Turntrans-93.27.6177.770.7-35000112.8L154L154-D156 PolarHBondContact O-N 3.47Å; L154-D156 VanDerWaalsContact O-N 3.16Å
157K95.3Very high94.2Very high32 Ų3250.9 Ų50.914%0.13927%0.27CS..  trans-104.3135.3-171.5-51.4-54.7-179.6-150.10112.3L154 I155 W159 L160 Y161 L176L154-K157 HydrophobicContact CD2-CG 4.37Å; L154-K157 VanDerWaalsContact O-CB 3.3Å; L154-K157 WeakPolarHBondContact O-CB 3.49Å; L154-K157 PolarHBondContact O-N 3.24Å; I155-K157 VanDerWaalsContact C-N 3.34Å; K157-W159 VanDerWaalsContact C-N 3.3Å; K157-W159 HydrophobicContact CB-CD2 3.84Å; K157-W159 VanDerWaalsContact CB-CE2 3.44Å; K157-W159 HydrophobicContact CB-CE3 4.13Å; K157-W159 HydrophobicContact CB-CH2 3.71Å; K157-W159 HydrophobicContact CB-CZ2 3.35Å; K157-W159 HydrophobicContact CB-CZ3 4.08Å; K157-W159 HydrophobicContact CD-CH2 3.61Å; K157-W159 HydrophobicContact CD-CZ2 3.79Å; K157-W159 HydrophobicContact CD-CZ3 4.39Å; K157-W159 HydrophobicContact CG-CH2 3.71Å; K157-W159 HydrophobicContact CG-CZ2 3.34Å; K157-W159 PolarHBondContact O-N 3.41Å; K157-L160 WeakPolarHBondContact O-CB 3.46Å; K157-L160 PolarHBondContact O-N 3.11Å; K157-L160 VanDerWaalsContact O-N 3.15Å; K157-Y161 WeakPolarHBondContact O-CD2 3.23Å; K157-L176 HydrophobicContact CD-CD1 4.17Å; K157-L176 VanDerWaalsContact CE-CD1 3.45Å
158P94.9Very high93.8Very high66 Ų6652.4 Ų52.443%0.42928%0.278SS..G310 helixtrans-64.9-33.7-174.525.8-34.4000112.8L160 Y161 D162 E165P158-L160 PolarHBondContact O-N 3.23Å; P158-Y161 PolarHBondContact O-N 3.25Å; P158-D162 PolarHBondContact O-N 3.07Å; P158-E165 HydrophobicContact CB-CG 4.27Å
159W93.8Very high93.1Very high15 Ų1550.3 Ų50.36%0.05728%0.28CS..G310 helixtrans-69.3-10.2179.560.683000114.4L154 K157 Y161 D162 E165 L176 R230 L234L154-W159 HydrophobicContact CD2-CZ2 4.24Å; L154-W159 VanDerWaalsContact CD2-NE1 3.26Å; K157-W159 VanDerWaalsContact C-N 3.3Å; K157-W159 HydrophobicContact CB-CD2 3.84Å; K157-W159 VanDerWaalsContact CB-CE2 3.44Å; K157-W159 HydrophobicContact CB-CE3 4.13Å; K157-W159 HydrophobicContact CB-CH2 3.71Å; K157-W159 HydrophobicContact CB-CZ2 3.35Å; K157-W159 HydrophobicContact CB-CZ3 4.08Å; K157-W159 HydrophobicContact CD-CH2 3.61Å; K157-W159 HydrophobicContact CD-CZ2 3.79Å; K157-W159 HydrophobicContact CD-CZ3 4.39Å; K157-W159 HydrophobicContact CG-CH2 3.71Å; K157-W159 HydrophobicContact CG-CZ2 3.34Å; K157-W159 PolarHBondContact O-N 3.41Å; W159-Y161 VanDerWaalsContact C-N 3.3Å; W159-D162 WeakPolarHBondContact CA-O 3.25Å; W159-E165 HydrophobicContact CB-CB 3.88Å; W159-L176 HydrophobicContact CH2-CD1 4.21Å; W159-R230 HydrophobicContact CD2-CB 4.25Å; W159-R230 HydrophobicContact CD2-CG 3.79Å; W159-R230 HydrophobicContact CE3-CG 3.99Å; W159-R230 HydrophobicContact CG-CB 4.11Å; W159-R230 HydrophobicContact CG-CG 4.18Å; W159-R230 HydrophobicContact CZ2-CG 4.41Å; W159-R230 HydrophobicContact CZ3-CG 4.37Å; W159-L234 WeakPolarHBondContact O-CD1 3.28Å
160L94.7Very high92.6Very high40 Ų4048.5 Ų48.521%0.20926%0.262CS..G310 helixtrans-70.1-31.5168.2-173.565.3000111.8L154 K157 P158 L234 L237L154-L160 HydrophobicContact CB-CD1 4.38Å; L154-L160 HydrophobicContact CB-CD2 4.42Å; L154-L160 WeakPolarHBondContact O-CD2 3.2Å; K157-L160 WeakPolarHBondContact O-CB 3.46Å; K157-L160 PolarHBondContact O-N 3.11Å; K157-L160 VanDerWaalsContact O-N 3.15Å; P158-L160 PolarHBondContact O-N 3.23Å; L160-L234 HydrophobicContact CD1-CD2 3.96Å; L160-L237 HydrophobicContact CD1-CD2 3.62Å
161Y94.1Very high91.9Very high165 Ų16548.6 Ų48.665%0.64726%0.263SS*.THydrogen-bonded Turntrans-104.8-32.1-172.6-56.2-73.6000112.8I155 K157 P158 W159I155-Y161 WeakPolarHBondContact O-CE2 3.37Å; I155-Y161 PolarHBondContact O-OH 3.02Å; K157-Y161 WeakPolarHBondContact O-CD2 3.23Å; P158-Y161 PolarHBondContact O-N 3.25Å; W159-Y161 VanDerWaalsContact C-N 3.3Å
162D92.9Very high91.4Very high71 Ų7147.7 Ų47.738%0.3826%0.26SS..  trans-121.4109.9174.8-173-9.2000110.6P158 W159 K164 E165P158-D162 PolarHBondContact O-N 3.07Å; W159-D162 WeakPolarHBondContact CA-O 3.25Å; D162-K164 PolarHBondContact O-N 2.88Å; D162-K164 WeakPolarHBondContact OD1-CB 3.24Å; D162-K164 PolarHBondContact OD1-N 2.93Å; D162-E165 HydrophobicContact CB-CG 4.22Å; D162-E165 WeakPolarHBondContact O-CB 3.3Å; D162-E165 PolarHBondContact O-N 3.17Å; D162-E165 VanDerWaalsContact O-N 3.12Å
163T89.6Confident91Very high15 Ų1544.6 Ų44.69%0.09223%0.234CC..G310 helixtrans-67.2-14.4-179.146.40000113.7E165 M166 W283 W287T163-E165 VanDerWaalsContact C-N 3.32Å; T163-M166 WeakPolarHBondContact O-CB 3.24Å; T163-M166 PolarHBondContact O-N 2.96Å; T163-W283 HydrophobicContact CG2-CB 4.26Å; T163-W287 PolarHBondContact OG1-NE1 3.22Å
164K88.9Confident90.7Very high82 Ų8246.7 Ų46.736%0.35725%0.245SC..G310 helixtrans-65.4-37.8171.5-174.9-177.3173.7-170.40111.8D162 M166 W167 Q168 W287 Y291D162-K164 PolarHBondContact O-N 2.88Å; D162-K164 WeakPolarHBondContact OD1-CB 3.24Å; D162-K164 PolarHBondContact OD1-N 2.93Å; K164-M166 PolarHBondContact O-N 3.46Å; K164-M166 VanDerWaalsContact O-N 3.09Å; K164-W167 PolarHBondContact O-N 2.95Å; K164-W167 VanDerWaalsContact O-N 3.15Å; K164-Q168 PolarHBondContact O-N 3.44Å; K164-W287 HydrophobicContact CB-CE3 4.32Å; K164-W287 HydrophobicContact CB-CH2 3.86Å; K164-W287 HydrophobicContact CB-CZ3 3.71Å; K164-W287 HydrophobicContact CG-CH2 4.19Å; K164-W287 HydrophobicContact CG-CZ3 3.84Å; K164-Y291 HydrophobicContact CG-CE1 4.4Å; K164-Y291 HydrophobicContact CG-CE2 4.08Å
165E91.3Very high90.6Very high42 Ų4247.5 Ų47.520%0.19625%0.25CC..G310 helixtrans-65.6-13.2179.8-68.6-71.4167.900112.7P158 W159 D162 T163 W167 Q168 R230P158-E165 HydrophobicContact CB-CG 4.27Å; W159-E165 HydrophobicContact CB-CB 3.88Å; D162-E165 HydrophobicContact CB-CG 4.22Å; D162-E165 WeakPolarHBondContact O-CB 3.3Å; D162-E165 PolarHBondContact O-N 3.17Å; D162-E165 VanDerWaalsContact O-N 3.12Å; T163-E165 VanDerWaalsContact C-N 3.32Å; E165-W167 PolarHBondContact O-N 3.39Å; E165-Q168 PolarHBondContact OE1-NE2 3.44Å; E165-Q168 PolarHBondContact OE1-OE1 3.05Å; E165-Q168 VanDerWaalsContact OE1-OE1 3.06Å; E165-R230 VanDerWaalsContact O-CD 3.25Å; E165-R230 WeakPolarHBondContact O-CD 3.32Å; E165-R230 PolarHBondContact O-NH1 2.95Å; E165-R230 IonicContact OE2-NH1 3.85Å
166M91Very high90.4Very high0 Ų045.8 Ų45.80%024%0.241CC..G310 helixtrans-55.6-38.9171-180171.144.100112.2T163 K164 A231 L234 W287 T288T163-M166 WeakPolarHBondContact O-CB 3.24Å; T163-M166 PolarHBondContact O-N 2.96Å; K164-M166 PolarHBondContact O-N 3.46Å; K164-M166 VanDerWaalsContact O-N 3.09Å; M166-A231 HydrophobicContact CG-CB 3.57Å; M166-A231 VanDerWaalsContact SD-CA 3.53Å; M166-A231 HydrophobicContact SD-CB 3.42Å; M166-A231 WeakPolarHBondContact SD-CB 3.49Å; M166-L234 HydrophobicContact CB-CD1 4.46Å; M166-L234 HydrophobicContact CG-CD1 4.48Å; M166-L234 HydrophobicContact SD-CD1 4.3Å; M166-W287 HydrophobicContact CE-CB 3.5Å; M166-W287 VanDerWaalsContact CE-CB 3.5Å; M166-T288 HydrophobicContact CE-CG2 3.94Å; M166-T288 HydrophobicContact SD-CG2 4.1Å
167W89.2Confident90.4Very high9 Ų945.5 Ų45.53%0.03425%0.245CC..THydrogen-bonded Turntrans-113.5-5.7-174.3-64.9115.6000113.6K164 E165 G169 F170 Y228 A231 W287 T288 Y291 P292 F305K164-W167 PolarHBondContact O-N 2.95Å; K164-W167 VanDerWaalsContact O-N 3.15Å; E165-W167 PolarHBondContact O-N 3.39Å; W167-G169 PolarHBondContact O-N 3.25Å; W167-F170 HydrophobicContact CE3-CB 4.24Å; W167-F170 HydrophobicContact CE3-CD2 4.03Å; W167-F170 HydrophobicContact CE3-CG 4.02Å; W167-F170 HydrophobicContact CZ3-CD2 4.01Å; W167-F170 HydrophobicContact CZ3-CE2 4.37Å; W167-F170 HydrophobicContact CZ3-CG 4.37Å; W167-F170 WeakPolarHBondContact O-CB 3.35Å; W167-F170 PolarHBondContact O-N 3.3Å; W167-Y228 HydrophobicContact CH2-CD1 4.26Å; W167-Y228 AromaticContact CH2-CD2 3.47Å; W167-Y228 HydrophobicContact CH2-CD2 3.47Å; W167-Y228 VanDerWaalsContact CH2-CD2 3.47Å; W167-Y228 HydrophobicContact CH2-CE1 4.35Å; W167-Y228 AromaticContact CH2-CE2 3.52Å; W167-Y228 HydrophobicContact CH2-CE2 3.52Å; W167-Y228 AromaticContact CH2-CG 3.84Å; W167-Y228 HydrophobicContact CH2-CG 3.84Å; W167-Y228 AromaticContact CH2-CZ 3.96Å; W167-Y228 AromaticContact CZ3-CD1 3.85Å; W167-Y228 HydrophobicContact CZ3-CD1 3.85Å; W167-Y228 AromaticContact CZ3-CD2 3.92Å; W167-Y228 HydrophobicContact CZ3-CD2 3.92Å; W167-Y228 AromaticContact CZ3-CE1 3.94Å; W167-Y228 HydrophobicContact CZ3-CE1 3.94Å; W167-Y228 AromaticContact CZ3-CE2 3.95Å; W167-Y228 HydrophobicContact CZ3-CE2 3.95Å; W167-Y228 AromaticContact CZ3-CG 3.84Å; W167-Y228 HydrophobicContact CZ3-CG 3.84Å; W167-Y228 AromaticContact CZ3-CZ 3.94Å; W167-A231 HydrophobicContact CH2-CB 4.45Å; W167-A231 HydrophobicContact CZ2-CB 4.31Å; W167-W287 VanDerWaalsContact CD1-O 3.31Å; W167-W287 PolarHBondContact NE1-O 2.86Å; W167-T288 HydrophobicContact CZ2-CG2 3.62Å; W167-Y291 HydrophobicContact CB-CD1 3.6Å; W167-Y291 HydrophobicContact CB-CE1 3.63Å; W167-Y291 AromaticContact CD1-CD1 3.93Å; W167-Y291 HydrophobicContact CG-CD1 4.08Å; W167-P292 HydrophobicContact CD2-CG 3.95Å; W167-P292 HydrophobicContact CG-CG 4.12Å; W167-P292 HydrophobicContact CZ2-CG 4.26Å; W167-F305 HydrophobicContact CH2-CE1 4.36Å; W167-F305 HydrophobicContact CZ2-CE1 4.36Å
168Q88.1Confident90.4Very high78 Ų7846.3 Ų46.336%0.36426%0.255SS..THydrogen-bonded Turntrans-66.2118.2-179.9-175.2161.6-37.300111.3K164 E165 F170 L173 R230K164-Q168 PolarHBondContact O-N 3.44Å; E165-Q168 PolarHBondContact OE1-NE2 3.44Å; E165-Q168 PolarHBondContact OE1-OE1 3.05Å; E165-Q168 VanDerWaalsContact OE1-OE1 3.06Å; Q168-F170 VanDerWaalsContact C-N 3.34Å; Q168-L173 WeakPolarHBondContact O-CD2 3.29Å; Q168-R230 PolarHBondContact O-NH1 3.48Å; Q168-R230 VanDerWaalsContact O-NH1 3.15Å
169G83.8Confident90.4Very high51 Ų5143.2 Ų43.253%0.52624%0.235SC..THydrogen-bonded Turntrans82.68.6-17600000114.3W167 V172W167-G169 PolarHBondContact O-N 3.25Å; G169-V172 CarbonylContact O-C 3.54Å; G169-V172 PolarHBondContact O-N 2.86Å
170F84.9Confident90.5Very high13 Ų1344.7 Ų44.76%0.05724%0.24CC..THydrogen-bonded Turntrans-57.4138.5168.4175.2-94.2000110.3P17 W167 Q168 Y228 Y296P17-F170 HydrophobicContact CG-CE1 4.01Å; W167-F170 HydrophobicContact CE3-CB 4.24Å; W167-F170 HydrophobicContact CE3-CD2 4.03Å; W167-F170 HydrophobicContact CE3-CG 4.02Å; W167-F170 HydrophobicContact CZ3-CD2 4.01Å; W167-F170 HydrophobicContact CZ3-CE2 4.37Å; W167-F170 HydrophobicContact CZ3-CG 4.37Å; W167-F170 WeakPolarHBondContact O-CB 3.35Å; W167-F170 PolarHBondContact O-N 3.3Å; Q168-F170 VanDerWaalsContact C-N 3.34Å; F170-Y228 HydrophobicContact CD2-CD1 4.05Å; F170-Y228 HydrophobicContact CD2-CE1 4.07Å; F170-Y228 HydrophobicContact CE1-CE1 4.47Å; F170-Y228 AromaticContact CE2-CD1 3.37Å; F170-Y228 HydrophobicContact CE2-CD1 3.37Å; F170-Y228 AromaticContact CE2-CE1 3.11Å; F170-Y228 HydrophobicContact CE2-CE1 3.11Å; F170-Y228 HydrophobicContact CZ-CD1 4.11Å; F170-Y228 AromaticContact CZ-CE1 3.36Å; F170-Y228 HydrophobicContact CZ-CE1 3.36Å; F170-Y296 HydrophobicContact CD1-CD2 4.43Å; F170-Y296 HydrophobicContact CD1-CE2 4.04Å; F170-Y296 PolarHBondContact O-OH 3.44Å
171P81.9Confident90.5Very high2 Ų249.4 Ų49.41%0.01326%0.256CS..THydrogen-bonded Turncis-88.4-14.535-36.8000115.6F16 L20 L25 L173 N227F16-P171 HydrophobicContact CD1-CB 4.3Å; F16-P171 HydrophobicContact CE1-CB 4.37Å; L20-P171 HydrophobicContact CB-CG 4.25Å; L20-P171 HydrophobicContact CD1-CG 3.74Å; L20-P171 HydrophobicContact CD2-CG 4.13Å; L20-P171 HydrophobicContact CG-CG 4.26Å; L25-P171 WeakPolarHBondContact CD2-O 3.28Å; P171-L173 PolarHBondContact O-N 2.91Å; P171-N227 PolarHBondContact O-ND2 2.93Å
172V85.3Confident90.6Very high47 Ų4742.2 Ų42.229%0.28523%0.227SC..  trans-89.557.6-169.4-165.90000111Y33 G169Y33-V172 HydrophobicContact CE1-CB 4.46Å; Y33-V172 HydrophobicContact CE1-CG1 3.61Å; Y33-V172 WeakPolarHBondContact OH-CG1 3.34Å; G169-V172 CarbonylContact O-C 3.54Å; G169-V172 PolarHBondContact O-N 2.86Å
173L88.3Confident90.8Very high4 Ų438.9 Ų38.92%0.02121%0.21CC..PPolyproline II helixtrans-89.2116.3179.2-55.3-176.5000110.3Y33 Q168 P171 L175 N227 R230Y33-L173 WeakPolarHBondContact CD1-O 3.25Å; Q168-L173 WeakPolarHBondContact O-CD2 3.29Å; P171-L173 PolarHBondContact O-N 2.91Å; L173-L175 PolarHBondContact O-N 3.26Å; L173-N227 PolarHBondContact N-ND2 3.39Å; L173-N227 VanDerWaalsContact N-ND2 3.2Å; L173-N227 PolarHBondContact O-ND2 3.46Å; L173-N227 PolarHBondContact O-OD1 3.09Å; L173-R230 HydrophobicContact CD1-CB 4.46Å; L173-R230 HydrophobicContact CD1-CG 4.12Å
174T90.3Very high91.1Very high54 Ų5438.2 Ų38.233%0.33121%0.206SC..PPolyproline II helixtrans-67.5131.1178.9-53.10000111.4R31R31-T174 HydrophobicContact CB-CG2 4.23Å; R31-T174 HydrophobicContact CG-CG2 4.49Å
175L92.6Very high91.5Very high17 Ų1737.7 Ų37.79%0.08921%0.206CC..PPolyproline II helixtrans-79.2127.1177.2175.764.9000110.9V32 L173 Q179 Y180 W224 I229V32-L175 HydrophobicContact CG1-CD2 4.45Å; V32-L175 WeakPolarHBondContact O-CB 3.48Å; V32-L175 PolarHBondContact O-N 2.97Å; L173-L175 PolarHBondContact O-N 3.26Å; L175-Q179 HydrophobicContact CD1-CB 4.17Å; L175-Y180 HydrophobicContact CD2-CD2 4.07Å; L175-W224 HydrophobicContact CD1-CH2 3.56Å; L175-W224 HydrophobicContact CD1-CZ3 3.85Å; L175-W224 HydrophobicContact CD2-CH2 3.63Å; L175-W224 HydrophobicContact CD2-CZ2 3.92Å; L175-W224 HydrophobicContact CG-CH2 4.25Å; L175-I229 HydrophobicContact CD1-CG2 4.23Å
176L93.4Very high91.8Very high53 Ų5335.8 Ų35.828%0.27720%0.197SC..PPolyproline II helixtrans-95.3146.6172.6-60.5173.7000111.2K157 W159 S178 Q179 Y180K157-L176 HydrophobicContact CD-CD1 4.17Å; K157-L176 VanDerWaalsContact CE-CD1 3.45Å; W159-L176 HydrophobicContact CH2-CD1 4.21Å; L176-S178 PolarHBondContact O-N 3.09Å; L176-Q179 HydrophobicContact CB-CG 4.11Å; L176-Q179 WeakPolarHBondContact O-CB 3.48Å; L176-Q179 PolarHBondContact O-N 3.41Å; L176-Y180 PolarHBondContact O-N 3.37Å
177P93.8Very high92Very high99 Ų9936.3 Ų36.364%0.64320%0.199SC*.Hα-helixtrans-57-34.7177.7-27.435.2000114.2Y180 W181P177-Y180 PolarHBondContact O-N 3.22Å; P177-W181 PolarHBondContact O-N 2.89Å; P177-W181 VanDerWaalsContact O-N 3.14Å
178S94.8Very high92.4Very high49 Ų4935.9 Ų35.934%0.34320%0.198SC..Hα-helixtrans-64.2-41.9176.355.40000112L176 Y182L176-S178 PolarHBondContact O-N 3.09Å; S178-Y182 VanDerWaalsContact O-CB 3.29Å; S178-Y182 WeakPolarHBondContact O-CB 3.48Å; S178-Y182 PolarHBondContact O-N 2.91Å
179Q94.9Very high92.8Very high2 Ų232.1 Ų32.11%0.00918%0.18CC..Hα-helixtrans-68.2-38.9177.4-62.4170.2-35.100111.4L175 L176 Y182 Y183 I229 T233L175-Q179 HydrophobicContact CD1-CB 4.17Å; L176-Q179 HydrophobicContact CB-CG 4.11Å; L176-Q179 WeakPolarHBondContact O-CB 3.48Å; L176-Q179 PolarHBondContact O-N 3.41Å; Q179-Y182 PolarHBondContact O-N 3.41Å; Q179-Y183 WeakPolarHBondContact O-CB 3.2Å; Q179-Y183 WeakPolarHBondContact O-CD2 3.2Å; Q179-Y183 PolarHBondContact O-N 3.01Å; Q179-I229 HydrophobicContact CB-CG2 3.86Å; Q179-I229 HydrophobicContact CG-CG2 4.26Å; Q179-T233 HydrophobicContact CB-CG2 4.26Å; Q179-T233 HydrophobicContact CG-CG2 4.14Å
180Y95.9Very high93.2Very high45 Ų4530 Ų3018%0.17616%0.157CC..Hα-helixtrans-55.9-56.7175.1177.2-85000110.8D38 L175 L176 P177 Y182 Y183 M184 W224D38-Y180 HydrophobicContact CB-CE2 3.94Å; L175-Y180 HydrophobicContact CD2-CD2 4.07Å; L176-Y180 PolarHBondContact O-N 3.37Å; P177-Y180 PolarHBondContact O-N 3.22Å; Y180-Y182 VanDerWaalsContact C-N 3.33Å; Y180-Y182 PolarHBondContact O-N 3.14Å; Y180-Y183 PolarHBondContact O-N 3.32Å; Y180-M184 HydrophobicContact CD1-CG 4.09Å; Y180-M184 HydrophobicContact CD2-CE 4.28Å; Y180-M184 HydrophobicContact CD2-CG 4.5Å; Y180-M184 HydrophobicContact CE1-CG 3.73Å; Y180-M184 HydrophobicContact CE2-CE 3.98Å; Y180-M184 HydrophobicContact CE2-CG 4.19Å; Y180-M184 HydrophobicContact CG-CG 4.45Å; Y180-M184 VanDerWaalsContact O-CG 3.29Å; Y180-M184 WeakPolarHBondContact O-CG 3.47Å; Y180-M184 PolarHBondContact O-N 2.82Å; Y180-W224 AromaticContact CD2-CH2 3.47Å; Y180-W224 HydrophobicContact CD2-CH2 3.47Å; Y180-W224 VanDerWaalsContact CD2-CH2 3.47Å; Y180-W224 AromaticContact CD2-CZ2 3.67Å; Y180-W224 HydrophobicContact CD2-CZ2 3.67Å; Y180-W224 HydrophobicContact CE2-CH2 4.23Å; Y180-W224 HydrophobicContact CE2-CZ2 4.01Å; Y180-W224 HydrophobicContact CG-CH2 4.14Å
181W95.9Very high93.6Very high139 Ų13930 Ų3053%0.52716%0.16SC..Hα-helixtrans-66.8-36.5-177.4-76.3112.3000112.5I45 P177 Y183 M184 I185I45-W181 HydrophobicContact CD1-CZ3 4.44Å; P177-W181 PolarHBondContact O-N 2.89Å; P177-W181 VanDerWaalsContact O-N 3.14Å; W181-Y183 PolarHBondContact O-N 2.84Å; W181-M184 PolarHBondContact O-N 2.74Å; W181-I185 HydrophobicContact CB-CD1 4.4Å; W181-I185 HydrophobicContact CE3-CD1 4.49Å; W181-I185 HydrophobicContact CE3-CG1 4.48Å; W181-I185 VanDerWaalsContact O-CB 3.23Å; W181-I185 WeakPolarHBondContact O-CB 3.37Å; W181-I185 WeakPolarHBondContact O-CD1 3.35Å; W181-I185 WeakPolarHBondContact O-CG1 3.31Å; W181-I185 PolarHBondContact O-N 2.96Å
182Y96.3Very high94.2Very high14 Ų1430 Ų306%0.05516%0.16CC..Hα-helixtrans-58.3-49.6174.6-176.2-141.1000111.3S178 Q179 Y180 E186 T233 M236 L237S178-Y182 VanDerWaalsContact O-CB 3.29Å; S178-Y182 WeakPolarHBondContact O-CB 3.48Å; S178-Y182 PolarHBondContact O-N 2.91Å; Q179-Y182 PolarHBondContact O-N 3.41Å; Y180-Y182 VanDerWaalsContact C-N 3.33Å; Y180-Y182 PolarHBondContact O-N 3.14Å; Y182-E186 HydrophobicContact CD2-CG 4Å; Y182-E186 HydrophobicContact CE2-CG 3.81Å; Y182-E186 VanDerWaalsContact O-CB 3.24Å; Y182-E186 WeakPolarHBondContact O-CB 3.44Å; Y182-E186 VanDerWaalsContact O-CG 3.3Å; Y182-E186 WeakPolarHBondContact O-CG 3.41Å; Y182-E186 PolarHBondContact O-N 3.45Å; Y182-T233 HydrophobicContact CD1-CG2 3.93Å; Y182-T233 HydrophobicContact CE1-CG2 4.37Å; Y182-M236 HydrophobicContact CD1-CE 3.86Å; Y182-M236 HydrophobicContact CE1-CB 4.04Å; Y182-M236 HydrophobicContact CE1-CE 3.85Å; Y182-M236 HydrophobicContact CG-CE 4.48Å; Y182-M236 VanDerWaalsContact OH-C 3.29Å; Y182-L237 WeakPolarHBondContact OH-CA 3.42Å; Y182-L237 PolarHBondContact OH-N 3.42Å
183Y96.7Very high94.5Very high2 Ų227.9 Ų27.91%0.00815%0.147CC..Hα-helixtrans-60.4-48.8175.8-101.6-97.4000113.6Q179 Y180 W181 I185 L187 I220 S223 W224 I229 G232 T233 M236Q179-Y183 WeakPolarHBondContact O-CB 3.2Å; Q179-Y183 WeakPolarHBondContact O-CD2 3.2Å; Q179-Y183 PolarHBondContact O-N 3.01Å; Y180-Y183 PolarHBondContact O-N 3.32Å; W181-Y183 PolarHBondContact O-N 2.84Å; Y183-I185 VanDerWaalsContact C-N 3.35Å; Y183-I185 PolarHBondContact O-N 3.42Å; Y183-L187 VanDerWaalsContact O-CB 3.24Å; Y183-L187 WeakPolarHBondContact O-CB 3.33Å; Y183-L187 PolarHBondContact O-N 3.07Å; Y183-I220 HydrophobicContact CD1-CG2 3.6Å; Y183-I220 HydrophobicContact CE1-CG2 3.88Å; Y183-S223 WeakPolarHBondContact CE1-OG 3.39Å; Y183-S223 PolarHBondContact OH-OG 2.91Å; Y183-W224 HydrophobicContact CD1-CB 4.43Å; Y183-W224 HydrophobicContact CD1-CD2 4.44Å; Y183-W224 AromaticContact CD1-CE3 3.52Å; Y183-W224 HydrophobicContact CD1-CE3 3.52Å; Y183-W224 HydrophobicContact CD1-CZ3 4.21Å; Y183-W224 HydrophobicContact CD2-CE3 4.17Å; Y183-W224 HydrophobicContact CD2-CZ3 4.13Å; Y183-W224 HydrophobicContact CE1-CB 4.35Å; Y183-W224 HydrophobicContact CE1-CE3 4.05Å; Y183-W224 AromaticContact CG-CE3 3.57Å; Y183-W224 HydrophobicContact CG-CE3 3.57Å; Y183-W224 AromaticContact CG-CZ3 3.76Å; Y183-W224 HydrophobicContact CG-CZ3 3.76Å; Y183-I229 HydrophobicContact CD2-CG2 4.43Å; Y183-I229 HydrophobicContact CE1-CD1 4.49Å; Y183-I229 HydrophobicContact CE2-CD1 4.24Å; Y183-I229 HydrophobicContact CE2-CG2 3.95Å; Y183-G232 WeakPolarHBondContact OH-CA 3.46Å; Y183-T233 HydrophobicContact CD2-CG2 3.88Å; Y183-T233 HydrophobicContact CE2-CG2 3.53Å; Y183-M236 HydrophobicContact CD1-CE 4.19Å; Y183-M236 HydrophobicContact CD2-CE 3.43Å; Y183-M236 VanDerWaalsContact CD2-CE 3.43Å; Y183-M236 HydrophobicContact CE1-CE 4.26Å; Y183-M236 HydrophobicContact CE2-CE 3.51Å; Y183-M236 HydrophobicContact CG-CE 3.81Å
184M97Very high94.6Very high1 Ų130.9 Ų30.91%0.00516%0.163CC..Hα-helixtrans-68.7-36.3-174.4-64.9-56.3148.400112.1D38 V41 I45 Y180 W181 G188 W224D38-M184 HydrophobicContact CB-CE 3.76Å; V41-M184 HydrophobicContact CB-SD 4.48Å; I45-M184 HydrophobicContact CD1-CB 3.93Å; Y180-M184 HydrophobicContact CD1-CG 4.09Å; Y180-M184 HydrophobicContact CD2-CE 4.28Å; Y180-M184 HydrophobicContact CD2-CG 4.5Å; Y180-M184 HydrophobicContact CE1-CG 3.73Å; Y180-M184 HydrophobicContact CE2-CE 3.98Å; Y180-M184 HydrophobicContact CE2-CG 4.19Å; Y180-M184 HydrophobicContact CG-CG 4.45Å; Y180-M184 VanDerWaalsContact O-CG 3.29Å; Y180-M184 WeakPolarHBondContact O-CG 3.47Å; Y180-M184 PolarHBondContact O-N 2.82Å; W181-M184 PolarHBondContact O-N 2.74Å; M184-G188 PolarHBondContact O-N 3.49Å; M184-W224 HydrophobicContact CE-CD2 3.67Å; M184-W224 HydrophobicContact CE-CE3 3.96Å; M184-W224 HydrophobicContact CE-CG 4.41Å; M184-W224 HydrophobicContact CE-CH2 3.61Å; M184-W224 HydrophobicContact CE-CZ2 3.28Å; M184-W224 HydrophobicContact CE-CZ3 3.94Å
185I96.8Very high94.5Very high70 Ų7033.4 Ų33.436%0.35917%0.17SC..Hα-helixtrans-70.5-47.9177.1-69.7170.6000110.5F49 F142 W181 Y183 G188 F189F49-I185 HydrophobicContact CE2-CG2 4.15Å; F49-I185 HydrophobicContact CZ-CG2 3.89Å; F142-I185 HydrophobicContact CE2-CG2 4.14Å; F142-I185 HydrophobicContact CZ-CG2 4.47Å; W181-I185 HydrophobicContact CB-CD1 4.4Å; W181-I185 HydrophobicContact CE3-CD1 4.49Å; W181-I185 HydrophobicContact CE3-CG1 4.48Å; W181-I185 VanDerWaalsContact O-CB 3.23Å; W181-I185 WeakPolarHBondContact O-CB 3.37Å; W181-I185 WeakPolarHBondContact O-CD1 3.35Å; W181-I185 WeakPolarHBondContact O-CG1 3.31Å; W181-I185 PolarHBondContact O-N 2.96Å; Y183-I185 VanDerWaalsContact C-N 3.35Å; Y183-I185 PolarHBondContact O-N 3.42Å; I185-G188 PolarHBondContact O-N 2.95Å; I185-F189 WeakPolarHBondContact O-CB 3.45Å; I185-F189 PolarHBondContact O-N 2.9Å
186E96.3Very high94.3Very high3 Ų332.9 Ų32.91%0.01417%0.167CC..Hα-helixtrans-54.1-55.6174.1-85.9-80.1110.500110.8Y182 G188 F189 Y190 M236Y182-E186 HydrophobicContact CD2-CG 4Å; Y182-E186 HydrophobicContact CE2-CG 3.81Å; Y182-E186 VanDerWaalsContact O-CB 3.24Å; Y182-E186 WeakPolarHBondContact O-CB 3.44Å; Y182-E186 VanDerWaalsContact O-CG 3.3Å; Y182-E186 WeakPolarHBondContact O-CG 3.41Å; Y182-E186 PolarHBondContact O-N 3.45Å; E186-G188 VanDerWaalsContact C-N 3.32Å; E186-G188 PolarHBondContact O-N 3.29Å; E186-F189 PolarHBondContact O-N 2.69Å; E186-F189 VanDerWaalsContact O-N 3.13Å; E186-Y190 VanDerWaalsContact O-CD2 3.25Å; E186-Y190 WeakPolarHBondContact O-CD2 3.35Å; E186-Y190 PolarHBondContact O-N 3.03Å; E186-Y190 WeakPolarHBondContact OE2-CE2 3.22Å; E186-M236 HydrophobicContact CB-SD 3.71Å; E186-M236 HydrophobicContact CG-SD 3.72Å
187L97Very high93.9Very high10 Ų1031.9 Ų31.95%0.05216%0.163CC..Hα-helixtrans-60.1-42.2-179.3-174.257.9000112.1L39 A42 Y183 G191 I217 I220L39-L187 HydrophobicContact CD2-CD2 3.56Å; A42-L187 HydrophobicContact CB-CB 4.03Å; A42-L187 HydrophobicContact CB-CD2 3.67Å; A42-L187 HydrophobicContact CB-CG 3.65Å; Y183-L187 VanDerWaalsContact O-CB 3.24Å; Y183-L187 WeakPolarHBondContact O-CB 3.33Å; Y183-L187 PolarHBondContact O-N 3.07Å; L187-G191 PolarHBondContact O-N 3.5Å; L187-I217 HydrophobicContact CD1-CB 4.47Å; L187-I217 HydrophobicContact CD1-CG1 4.47Å; L187-I217 HydrophobicContact CD1-CG2 4.04Å; L187-I220 HydrophobicContact CB-CG2 3.94Å; L187-I220 HydrophobicContact CD1-CB 4.2Å; L187-I220 HydrophobicContact CD1-CG2 4.03Å; L187-I220 HydrophobicContact CD2-CG2 4.4Å; L187-I220 HydrophobicContact CG-CG2 4.35Å
188G96.8Very high93.3Very high0 Ų031.2 Ų31.20%017%0.166CC..Hα-helixtrans-63.7-40.2176.500000112.5A42 A46 M184 I185 E186 G191 S192A42-G188 WeakPolarHBondContact O-CA 3.43Å; A46-G188 VanDerWaalsContact CA-O 3.22Å; A46-G188 WeakPolarHBondContact CA-O 3.33Å; A46-G188 WeakPolarHBondContact CB-O 3.42Å; M184-G188 PolarHBondContact O-N 3.49Å; I185-G188 PolarHBondContact O-N 2.95Å; E186-G188 VanDerWaalsContact C-N 3.32Å; E186-G188 PolarHBondContact O-N 3.29Å; G188-G191 PolarHBondContact O-N 3.34Å; G188-S192 PolarHBondContact O-N 2.87Å
189F95.8Very high92.6Very high0 Ų032.4 Ų32.40%018%0.175CC..Hα-helixtrans-65.9-48.2176178.6-102.9000112.1F49 W138 F142 Y143 I185 E186 G191 S192 L193F49-F189 HydrophobicContact CD1-CD2 4.31Å; F49-F189 HydrophobicContact CD2-CB 4.18Å; F49-F189 HydrophobicContact CE1-CD2 4.46Å; F49-F189 HydrophobicContact CE2-CB 4Å; F49-F189 HydrophobicContact CG-CD2 4.42Å; F49-F189 HydrophobicContact CZ-CB 4.42Å; W138-F189 HydrophobicContact CZ2-CE2 4.39Å; W138-F189 AromaticContact NE1-CE2 3.72Å; F142-F189 HydrophobicContact CB-CD2 4.22Å; F142-F189 HydrophobicContact CB-CE1 4.43Å; F142-F189 HydrophobicContact CB-CE2 3.6Å; F142-F189 HydrophobicContact CB-CZ 3.72Å; F142-F189 HydrophobicContact CD1-CB 4.48Å; F142-F189 AromaticContact CD1-CD1 3.31Å; F142-F189 HydrophobicContact CD1-CD1 3.31Å; F142-F189 AromaticContact CD1-CD2 3.77Å; F142-F189 HydrophobicContact CD1-CD2 3.77Å; F142-F189 AromaticContact CD1-CE1 3.17Å; F142-F189 HydrophobicContact CD1-CE1 3.17Å; F142-F189 AromaticContact CD1-CE2 3.66Å; F142-F189 HydrophobicContact CD1-CE2 3.66Å; F142-F189 AromaticContact CD1-CG 3.59Å; F142-F189 HydrophobicContact CD1-CG 3.59Å; F142-F189 AromaticContact CD1-CZ 3.36Å; F142-F189 HydrophobicContact CD1-CZ 3.36Å; F142-F189 HydrophobicContact CD2-CB 4.16Å; F142-F189 HydrophobicContact CD2-CD1 4.29Å; F142-F189 AromaticContact CD2-CD2 3.33Å; F142-F189 HydrophobicContact CD2-CD2 3.33Å; F142-F189 AromaticContact CD2-CE2 3.65Å; F142-F189 HydrophobicContact CD2-CE2 3.65Å; F142-F189 AromaticContact CD2-CG 3.67Å; F142-F189 HydrophobicContact CD2-CG 3.67Å; F142-F189 HydrophobicContact CD2-CZ 4.25Å; F142-F189 HydrophobicContact CE1-CB 3.81Å; F142-F189 AromaticContact CE1-CD1 3.08Å; F142-F189 HydrophobicContact CE1-CD1 3.08Å; F142-F189 AromaticContact CE1-CD2 3.97Å; F142-F189 HydrophobicContact CE1-CD2 3.97Å; F142-F189 AromaticContact CE1-CE1 3.47Å; F142-F189 HydrophobicContact CE1-CE1 3.47Å; F142-F189 VanDerWaalsContact CE1-CE1 3.47Å; F142-F189 HydrophobicContact CE1-CE2 4.3Å; F142-F189 AromaticContact CE1-CG 3.34Å; F142-F189 HydrophobicContact CE1-CG 3.34Å; F142-F189 HydrophobicContact CE1-CZ 4.07Å; F142-F189 HydrophobicContact CE2-CB 3.41Å; F142-F189 VanDerWaalsContact CE2-CB 3.41Å; F142-F189 HydrophobicContact CE2-CD1 4.09Å; F142-F189 AromaticContact CE2-CD2 3.54Å; F142-F189 HydrophobicContact CE2-CD2 3.54Å; F142-F189 HydrophobicContact CE2-CE2 4.28Å; F142-F189 AromaticContact CE2-CG 3.41Å; F142-F189 HydrophobicContact CE2-CG 3.41Å; F142-F189 VanDerWaalsContact CE2-CG 3.41Å; F142-F189 AromaticContact CG-CD1 3.94Å; F142-F189 HydrophobicContact CG-CD1 3.94Å; F142-F189 AromaticContact CG-CD2 3.46Å; F142-F189 HydrophobicContact CG-CD2 3.46Å; F142-F189 VanDerWaalsContact CG-CD2 3.46Å; F142-F189 AromaticContact CG-CE1 3.79Å; F142-F189 HydrophobicContact CG-CE1 3.79Å; F142-F189 AromaticContact CG-CE2 3.3Å; F142-F189 HydrophobicContact CG-CE2 3.3Å; F142-F189 AromaticContact CG-CG 3.76Å; F142-F189 HydrophobicContact CG-CG 3.76Å; F142-F189 AromaticContact CG-CZ 3.47Å; F142-F189 HydrophobicContact CG-CZ 3.47Å; F142-F189 VanDerWaalsContact CG-CZ 3.47Å; F142-F189 HydrophobicContact CZ-CB 3.21Å; F142-F189 AromaticContact CZ-CD1 3.51Å; F142-F189 HydrophobicContact CZ-CD1 3.51Å; F142-F189 AromaticContact CZ-CD2 3.87Å; F142-F189 HydrophobicContact CZ-CD2 3.87Å; F142-F189 HydrophobicContact CZ-CE1 4.27Å; F142-F189 AromaticContact CZ-CG 3.24Å; F142-F189 HydrophobicContact CZ-CG 3.24Å; Y143-F189 AromaticContact CE1-CE1 3.88Å; Y143-F189 HydrophobicContact CE1-CE1 3.88Å; I185-F189 WeakPolarHBondContact O-CB 3.45Å; I185-F189 PolarHBondContact O-N 2.9Å; E186-F189 PolarHBondContact O-N 2.69Å; E186-F189 VanDerWaalsContact O-N 3.13Å; F189-G191 VanDerWaalsContact C-N 3.27Å; F189-G191 PolarHBondContact O-N 2.89Å; F189-S192 WeakPolarHBondContact O-CA 3.4Å; F189-S192 WeakPolarHBondContact O-CB 3.26Å; F189-S192 PolarHBondContact O-N 2.77Å; F189-S192 PolarHBondContact O-OG 2.94Å; F189-L193 HydrophobicContact CD1-CD1 4Å; F189-L193 HydrophobicContact CD1-CG 4.32Å; F189-L193 HydrophobicContact CE1-CD1 3.45Å; F189-L193 VanDerWaalsContact CE1-CD1 3.45Å; F189-L193 HydrophobicContact CE1-CD2 4.42Å; F189-L193 HydrophobicContact CE1-CG 3.94Å; F189-L193 HydrophobicContact CZ-CD1 3.95Å; F189-L193 HydrophobicContact CZ-CD2 4.08Å; F189-L193 HydrophobicContact CZ-CG 4.07Å; F189-L193 PolarHBondContact O-N 2.96Å
190Y93.4Very high92Very high6 Ų633.1 Ų33.12%0.02418%0.178CC..Hα-helixtrans-61.1-36.9175.4-79.8-75.1000112.1E186 L193 L194 I220E186-Y190 VanDerWaalsContact O-CD2 3.25Å; E186-Y190 WeakPolarHBondContact O-CD2 3.35Å; E186-Y190 PolarHBondContact O-N 3.03Å; E186-Y190 WeakPolarHBondContact OE2-CE2 3.22Å; Y190-L193 HydrophobicContact CD1-CD1 4.43Å; Y190-L193 PolarHBondContact O-N 3.34Å; Y190-L194 PolarHBondContact O-N 2.75Å; Y190-I220 HydrophobicContact CD2-CD1 4.07Å; Y190-I220 HydrophobicContact CE2-CD1 4.43Å
191G93.6Very high91.1Very high13 Ų1332.3 Ų32.313%0.13418%0.178CC..Hα-helixtrans-60.5-43170.500000112.5L187 G188 F189 L193 L194 F195L187-G191 PolarHBondContact O-N 3.5Å; G188-G191 PolarHBondContact O-N 3.34Å; F189-G191 VanDerWaalsContact C-N 3.27Å; F189-G191 PolarHBondContact O-N 2.89Å; G191-L193 VanDerWaalsContact C-N 3.35Å; G191-L193 PolarHBondContact O-N 2.88Å; G191-L194 WeakPolarHBondContact O-CB 3.38Å; G191-L194 PolarHBondContact O-N 2.63Å; G191-F195 WeakPolarHBondContact O-CD2 3.49Å; G191-F195 WeakPolarHBondContact O-CG 3.48Å; G191-F195 PolarHBondContact O-N 2.95Å
192S94.4Very high90.4Very high2 Ų232 Ų321%0.01418%0.18CC..Hα-helixtrans-63.6-39.7176.682.90000112.2A46 G188 F189 L194 F195 S196A46-S192 WeakPolarHBondContact O-CB 3.36Å; G188-S192 PolarHBondContact O-N 2.87Å; F189-S192 WeakPolarHBondContact O-CA 3.4Å; F189-S192 WeakPolarHBondContact O-CB 3.26Å; F189-S192 PolarHBondContact O-N 2.77Å; F189-S192 PolarHBondContact O-OG 2.94Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-F195 PolarHBondContact O-N 3.33Å; S192-S196 PolarHBondContact O-N 3.06Å; S192-S196 PolarHBondContact O-OG 3.13Å
193L90.8Very high89.6Confident3 Ų333.2 Ų33.22%0.01619%0.185CC..Hα-helixtrans-62.6-42.9175.1-70.3-178.2000110.9F189 Y190 G191 F195 S196 V197 H213F189-L193 HydrophobicContact CD1-CD1 4Å; F189-L193 HydrophobicContact CD1-CG 4.32Å; F189-L193 HydrophobicContact CE1-CD1 3.45Å; F189-L193 VanDerWaalsContact CE1-CD1 3.45Å; F189-L193 HydrophobicContact CE1-CD2 4.42Å; F189-L193 HydrophobicContact CE1-CG 3.94Å; F189-L193 HydrophobicContact CZ-CD1 3.95Å; F189-L193 HydrophobicContact CZ-CD2 4.08Å; F189-L193 HydrophobicContact CZ-CG 4.07Å; F189-L193 PolarHBondContact O-N 2.96Å; Y190-L193 HydrophobicContact CD1-CD1 4.43Å; Y190-L193 PolarHBondContact O-N 3.34Å; G191-L193 VanDerWaalsContact C-N 3.35Å; G191-L193 PolarHBondContact O-N 2.88Å; L193-F195 VanDerWaalsContact C-N 3.34Å; L193-F195 PolarHBondContact O-N 3.01Å; L193-S196 PolarHBondContact O-N 2.75Å; L193-S196 PolarHBondContact O-OG 3.06Å; L193-S196 VanDerWaalsContact O-OG 3.09Å; L193-V197 WeakPolarHBondContact O-CG2 3.29Å; L193-V197 PolarHBondContact O-N 3.23Å; L193-V197 VanDerWaalsContact O-N 3.11Å; L193-H213 WeakPolarHBondContact CD1-NE2 3.47Å
194L89.4Confident88.8Confident66 Ų6639.6 Ų39.635%0.34621%0.213SC..Hα-helixtrans-60.9-41.8176.1-174.563.9000111.8Y190 G191 S192 V197 I217Y190-L194 PolarHBondContact O-N 2.75Å; G191-L194 WeakPolarHBondContact O-CB 3.38Å; G191-L194 PolarHBondContact O-N 2.63Å; S192-L194 VanDerWaalsContact C-N 3.34Å; L194-V197 HydrophobicContact CD1-CG2 4.38Å; L194-V197 VanDerWaalsContact O-CB 3.31Å; L194-V197 WeakPolarHBondContact O-CB 3.47Å; L194-V197 WeakPolarHBondContact O-CG2 3.42Å; L194-V197 PolarHBondContact O-N 3.32Å; L194-I217 HydrophobicContact CB-CD1 4.2Å; L194-I217 HydrophobicContact CD2-CD1 3.87Å
195F89.6Confident88.2Confident108 Ų10839.8 Ų39.847%0.47421%0.214SC..Hα-helixtrans-66.7-35175.7-63.7-33.7000113L43 A46 L50 G191 S192 L193 V197L43-F195 HydrophobicContact CD2-CZ 4.24Å; A46-F195 HydrophobicContact CB-CD2 4.23Å; A46-F195 HydrophobicContact CB-CE2 3.91Å; L50-F195 HydrophobicContact CD1-CB 4.1Å; L50-F195 HydrophobicContact CD1-CD2 4.31Å; G191-F195 WeakPolarHBondContact O-CD2 3.49Å; G191-F195 WeakPolarHBondContact O-CG 3.48Å; G191-F195 PolarHBondContact O-N 2.95Å; S192-F195 PolarHBondContact O-N 3.33Å; L193-F195 VanDerWaalsContact C-N 3.34Å; L193-F195 PolarHBondContact O-N 3.01Å; F195-V197 VanDerWaalsContact C-N 3.32Å; F195-V197 PolarHBondContact O-N 3.34Å
196S87.6Confident87.8Confident6 Ų639.5 Ų39.54%0.04221%0.21CC..Hα-helixtrans-82.3-4.5178.964.50000114.6R53 S192 L193 A198 S199 D200R53-S196 VanDerWaalsContact NH1-CB 3.34Å; R53-S196 PolarHBondContact NH1-OG 3.48Å; S192-S196 PolarHBondContact O-N 3.06Å; S192-S196 PolarHBondContact O-OG 3.13Å; L193-S196 PolarHBondContact O-N 2.75Å; L193-S196 PolarHBondContact O-OG 3.06Å; L193-S196 VanDerWaalsContact O-OG 3.09Å; S196-A198 PolarHBondContact O-N 2.84Å; S196-A198 VanDerWaalsContact O-N 3.08Å; S196-S199 PolarHBondContact O-N 2.72Å; S196-S199 PolarHBondContact O-OG 3.26Å; S196-D200 WeakPolarHBondContact O-CB 3.13Å; S196-D200 PolarHBondContact O-N 3.22Å; S196-D200 PolarHBondContact OG-OD2 2.93Å
197V85.3Confident87.4Confident31 Ų3147.1 Ų47.119%0.18824%0.243CC..THydrogen-bonded Turntrans-49.6-38.2-178.9158.10000113.5L193 L194 F195 S199 F206 I210L193-V197 WeakPolarHBondContact O-CG2 3.29Å; L193-V197 PolarHBondContact O-N 3.23Å; L193-V197 VanDerWaalsContact O-N 3.11Å; L194-V197 HydrophobicContact CD1-CG2 4.38Å; L194-V197 VanDerWaalsContact O-CB 3.31Å; L194-V197 WeakPolarHBondContact O-CB 3.47Å; L194-V197 WeakPolarHBondContact O-CG2 3.42Å; L194-V197 PolarHBondContact O-N 3.32Å; F195-V197 VanDerWaalsContact C-N 3.32Å; F195-V197 PolarHBondContact O-N 3.34Å; V197-S199 VanDerWaalsContact C-N 3.34Å; V197-F206 HydrophobicContact CG1-CE2 3.73Å; V197-F206 HydrophobicContact CG1-CZ 3.49Å; V197-F206 VanDerWaalsContact CG1-CZ 3.49Å; V197-I210 HydrophobicContact CB-CD1 4.17Å; V197-I210 HydrophobicContact CG1-CD1 3.52Å; V197-I210 HydrophobicContact CG2-CD1 3.45Å; V197-I210 VanDerWaalsContact CG2-CD1 3.45Å
198A80.4Confident87.2Confident86 Ų8649.5 Ų49.571%0.71125%0.254SS*.THydrogen-bonded Turntrans-70.9-30.7-17700000113S196S196-A198 PolarHBondContact O-N 2.84Å; S196-A198 VanDerWaalsContact O-N 3.08Å
199S80.2Confident86.9Confident74 Ų7451.5 Ų51.552%0.51726%0.263SS..THydrogen-bonded Turntrans-97.5-23.1-177.451.70000114.3K131 S196 V197K131-S199 PolarHBondContact NZ-O 3.41Å; S196-S199 PolarHBondContact O-N 2.72Å; S196-S199 PolarHBondContact O-OG 3.26Å; V197-S199 VanDerWaalsContact C-N 3.34Å
200D82.7Confident86.7Confident16 Ų1653.6 Ų53.69%0.08627%0.274CS..SBendtrans-67156.2179.7-82.38.4000111.7R53 R139 S196 K202R53-D200 IonicContact CZ-OD1 3.89Å; R53-D200 VanDerWaalsContact CZ-OD1 3.27Å; R53-D200 IonicContact NH1-OD1 2.8Å; R53-D200 PolarHBondContact NH1-OD1 3.1Å; R53-D200 IonicContact NH1-OD2 3.01Å; R53-D200 PolarHBondContact NH1-OD2 3.23Å; R53-D200 IonicContact NH2-OD1 2.63Å; R53-D200 PolarHBondContact NH2-OD1 2.89Å; R53-D200 IonicContact NH2-OD2 2.98Å; R139-D200 IonicContact NH2-OD2 3.11Å; R139-D200 PolarHBondContact NH2-OD2 2.9Å; S196-D200 WeakPolarHBondContact O-CB 3.13Å; S196-D200 PolarHBondContact O-N 3.22Å; S196-D200 PolarHBondContact OG-OD2 2.93Å; D200-K202 PolarHBondContact O-N 3.25Å; D200-K202 VanDerWaalsContact O-N 3.11Å
201V77.7Confident86.8Confident28 Ų2856.9 Ų56.917%0.1730%0.295CS..  trans-64.31131761730000110.7P127 K131 E135 R203P127-V201 HydrophobicContact CB-CG1 4.47Å; P127-V201 HydrophobicContact CB-CG2 3.44Å; P127-V201 VanDerWaalsContact CB-CG2 3.44Å; P127-V201 HydrophobicContact CG-CB 4.2Å; P127-V201 HydrophobicContact CG-CG1 3.6Å; P127-V201 HydrophobicContact CG-CG2 3.53Å; K131-V201 HydrophobicContact CD-CG2 4.35Å; E135-V201 WeakPolarHBondContact OE2-CG2 3.44Å; E135-V201 PolarHBondContact OE2-N 3.27Å; V201-R203 PolarHBondContact O-N 3.01Å
202K81.3Confident86.8Confident132 Ų13256.9 Ų56.957%0.57429%0.291SS*.  trans-72.8125.9175.5-59-176.6-175.9176.30110.1D200 F206D200-K202 PolarHBondContact O-N 3.25Å; D200-K202 VanDerWaalsContact O-N 3.11Å; K202-F206 HydrophobicContact CB-CD2 4.13Å; K202-F206 HydrophobicContact CD-CE2 4.27Å; K202-F206 HydrophobicContact CD-CZ 4.4Å; K202-F206 HydrophobicContact CG-CD2 3.92Å; K202-F206 HydrophobicContact CG-CE2 3.86Å; K202-F206 HydrophobicContact CG-CZ 4.48Å
203R79.1Confident86.8Confident40 Ų4057.2 Ų57.215%0.15129%0.292CS..  trans-106.5170.2178.8-64.9177.7-179.5-124.8-6.1110.3V201 D205 F206 Y254 D339 R341V201-R203 PolarHBondContact O-N 3.01Å; R203-D205 PolarHBondContact O-N 3.1Å; R203-F206 WeakPolarHBondContact O-CB 3.47Å; R203-F206 PolarHBondContact O-N 3.05Å; R203-F206 VanDerWaalsContact O-N 3.1Å; R203-Y254 PolarHBondContact NH2-OH 3Å; R203-D339 IonicContact CZ-OD2 3.56Å; R203-D339 IonicContact NH1-OD1 3.42Å; R203-D339 IonicContact NH1-OD2 3.56Å; R203-D339 PolarHBondContact NH1-OD2 3.37Å; R203-D339 IonicContact NH2-OD2 3.6Å; R203-R341 HydrophobicContact CB-CB 4.37Å; R203-R341 WeakPolarHBondContact CB-O 3.48Å
204K80.3Confident86.9Confident136 Ų13660.2 Ų60.259%0.59131%0.311SS*.THydrogen-bonded Turntrans-60.4-30-177.3-68180-169.5155.40114F206 D340 R341 D343K204-F206 VanDerWaalsContact C-N 3.34Å; K204-D340 WeakPolarHBondContact CD-O 3.23Å; K204-D340 PolarHBondContact NZ-O 3.11Å; K204-R341 PolarHBondContact N-O 3.49Å; K204-D343 WeakPolarHBondContact CE-OD1 3.48Å
205D84.3Confident87.2Confident6 Ų657.3 Ų57.33%0.03230%0.296CS..THydrogen-bonded Turntrans-100.431.6178.369.7-33.3000112.7R203 K207 E208 Q209 F318 W319 R341R203-D205 PolarHBondContact O-N 3.1Å; D205-K207 VanDerWaalsContact C-N 3.28Å; D205-K207 PolarHBondContact O-N 3.39Å; D205-E208 WeakPolarHBondContact CA-OE2 3.22Å; D205-E208 HydrophobicContact CB-CB 4.46Å; D205-E208 PolarHBondContact O-N 3.02Å; D205-Q209 WeakPolarHBondContact O-CB 3.41Å; D205-Q209 PolarHBondContact O-N 3.31Å; D205-F318 HydrophobicContact CB-CE1 4.32Å; D205-W319 PolarHBondContact OD2-NE1 3.48Å; D205-R341 IonicContact OD1-CZ 2.88Å; D205-R341 IonicContact OD1-NE 3.02Å; D205-R341 PolarHBondContact OD1-NE 2.83Å; D205-R341 IonicContact OD1-NH2 2.82Å; D205-R341 PolarHBondContact OD1-NH2 3.29Å; D205-R341 IonicContact OD2-CZ 3.39Å; D205-R341 IonicContact OD2-NE 3.78Å; D205-R341 PolarHBondContact OD2-NE 3.16Å; D205-R341 IonicContact OD2-NH1 3.27Å; D205-R341 IonicContact OD2-NH2 3.09Å; D205-R341 PolarHBondContact OD2-NH2 3.14Å
206F87.1Confident87.5Confident64 Ų6452.6 Ų52.628%0.28128%0.276SS..Hα-helixtrans-57.6-40.1-179.8175.4-97.4000112.2V197 K202 R203 K204 Q209 I210V197-F206 HydrophobicContact CG1-CE2 3.73Å; V197-F206 HydrophobicContact CG1-CZ 3.49Å; V197-F206 VanDerWaalsContact CG1-CZ 3.49Å; K202-F206 HydrophobicContact CB-CD2 4.13Å; K202-F206 HydrophobicContact CD-CE2 4.27Å; K202-F206 HydrophobicContact CD-CZ 4.4Å; K202-F206 HydrophobicContact CG-CD2 3.92Å; K202-F206 HydrophobicContact CG-CE2 3.86Å; K202-F206 HydrophobicContact CG-CZ 4.48Å; R203-F206 WeakPolarHBondContact O-CB 3.47Å; R203-F206 PolarHBondContact O-N 3.05Å; R203-F206 VanDerWaalsContact O-N 3.1Å; K204-F206 VanDerWaalsContact C-N 3.34Å; F206-Q209 PolarHBondContact O-N 3.33Å; F206-I210 HydrophobicContact CD1-CG1 4.34Å; F206-I210 HydrophobicContact CE1-CG1 3.98Å; F206-I210 HydrophobicContact CE2-CD1 4.34Å; F206-I210 HydrophobicContact CE2-CG1 4.39Å; F206-I210 HydrophobicContact CZ-CD1 4.11Å; F206-I210 HydrophobicContact CZ-CG1 4.02Å; F206-I210 WeakPolarHBondContact O-CG1 3.32Å; F206-I210 PolarHBondContact O-N 3.19Å
207K89.7Confident87.9Confident162 Ų16253.8 Ų53.870%0.70428%0.282SS*.Hα-helixtrans-66.4-45.6-177.6-67.8-178.2-179.91790111.1D205 Q209 I210 V211D205-K207 VanDerWaalsContact C-N 3.28Å; D205-K207 PolarHBondContact O-N 3.39Å; K207-Q209 VanDerWaalsContact C-N 3.3Å; K207-Q209 PolarHBondContact O-N 3.42Å; K207-I210 PolarHBondContact O-N 3.24Å; K207-I210 VanDerWaalsContact O-N 3.16Å; K207-V211 WeakPolarHBondContact O-CG2 3.46Å; K207-V211 PolarHBondContact O-N 3.13Å
208E92.8Very high88.4Confident60 Ų6056 Ų5628%0.2829%0.292SS..Hα-helixtrans-61.1-41.7177.3-63.375.8-169.800110.2D205 I210 V211 H212 L315 F318D205-E208 WeakPolarHBondContact CA-OE2 3.22Å; D205-E208 HydrophobicContact CB-CB 4.46Å; D205-E208 PolarHBondContact O-N 3.02Å; E208-I210 PolarHBondContact O-N 3.5Å; E208-V211 PolarHBondContact O-N 3.18Å; E208-H212 WeakPolarHBondContact O-CB 3.48Å; E208-H212 PolarHBondContact O-N 3.32Å; E208-L315 HydrophobicContact CB-CD2 4.1Å; E208-F318 HydrophobicContact CB-CE1 4.32Å; E208-F318 HydrophobicContact CG-CD1 4.34Å; E208-F318 HydrophobicContact CG-CE1 3.89Å; E208-F318 HydrophobicContact CG-CZ 4.18Å
209Q90.3Very high89.2Confident42 Ų4252.2 Ų52.220%0.19626%0.26CS..Hα-helixtrans-63.8-37.4175-161.473.347.800112.4D205 F206 K207 H212 H213D205-Q209 WeakPolarHBondContact O-CB 3.41Å; D205-Q209 PolarHBondContact O-N 3.31Å; F206-Q209 PolarHBondContact O-N 3.33Å; K207-Q209 VanDerWaalsContact C-N 3.3Å; K207-Q209 PolarHBondContact O-N 3.42Å; Q209-H212 WeakPolarHBondContact O-CB 3.44Å; Q209-H212 PolarHBondContact O-N 2.87Å; Q209-H213 PolarHBondContact NE2-CE1 2.8Å; Q209-H213 VanDerWaalsContact NE2-CE1 3.34Å; Q209-H213 PolarHBondContact O-N 2.78Å; Q209-H213 PolarHBondContact O-ND1 3.45Å
210I91.5Very high90Very high45 Ų4549.2 Ų49.223%0.23124%0.238CC..Hα-helixtrans-67.8-45.7175.7-65.9-63.4000111.1V197 F206 K207 E208 H212 H213 V214V197-I210 HydrophobicContact CB-CD1 4.17Å; V197-I210 HydrophobicContact CG1-CD1 3.52Å; V197-I210 HydrophobicContact CG2-CD1 3.45Å; V197-I210 VanDerWaalsContact CG2-CD1 3.45Å; F206-I210 HydrophobicContact CD1-CG1 4.34Å; F206-I210 HydrophobicContact CE1-CG1 3.98Å; F206-I210 HydrophobicContact CE2-CD1 4.34Å; F206-I210 HydrophobicContact CE2-CG1 4.39Å; F206-I210 HydrophobicContact CZ-CD1 4.11Å; F206-I210 HydrophobicContact CZ-CG1 4.02Å; F206-I210 WeakPolarHBondContact O-CG1 3.32Å; F206-I210 PolarHBondContact O-N 3.19Å; K207-I210 PolarHBondContact O-N 3.24Å; K207-I210 VanDerWaalsContact O-N 3.16Å; E208-I210 PolarHBondContact O-N 3.5Å; I210-H212 PolarHBondContact O-N 3.31Å; I210-H213 PolarHBondContact O-N 3.19Å; I210-H213 VanDerWaalsContact O-N 3.15Å; I210-V214 HydrophobicContact CG2-CG2 4.4Å; I210-V214 WeakPolarHBondContact O-CG2 3.33Å; I210-V214 PolarHBondContact O-N 3.4Å
211V94.4Very high90.6Very high75 Ų7549.8 Ų49.846%0.45524%0.244SC..Hα-helixtrans-57.1-43.4175.9174.90000110.2K207 E208 V214 A215 V311 L315K207-V211 WeakPolarHBondContact O-CG2 3.46Å; K207-V211 PolarHBondContact O-N 3.13Å; E208-V211 PolarHBondContact O-N 3.18Å; V211-V214 PolarHBondContact O-N 2.87Å; V211-A215 VanDerWaalsContact O-CB 3.3Å; V211-A215 WeakPolarHBondContact O-CB 3.38Å; V211-A215 PolarHBondContact O-N 3.41Å; V211-V311 HydrophobicContact CG1-CG1 4.23Å; V211-L315 HydrophobicContact CG1-CD1 4.18Å
212H94.8Very high91.4Very high13 Ų1349.5 Ų49.56%0.0624%0.24CC..Hα-helixtrans-58.9-49.3173.5173.4-87000113.4E208 Q209 I210 V214 A215 T216 L315 W319E208-H212 WeakPolarHBondContact O-CB 3.48Å; E208-H212 PolarHBondContact O-N 3.32Å; Q209-H212 WeakPolarHBondContact O-CB 3.44Å; Q209-H212 PolarHBondContact O-N 2.87Å; I210-H212 PolarHBondContact O-N 3.31Å; H212-V214 VanDerWaalsContact C-N 3.32Å; H212-V214 PolarHBondContact O-N 3.34Å; H212-A215 PolarHBondContact O-N 2.93Å; H212-T216 WeakPolarHBondContact O-CB 3.31Å; H212-T216 WeakPolarHBondContact O-CG2 3.4Å; H212-T216 PolarHBondContact O-N 3.46Å; H212-T216 PolarHBondContact O-OG1 3.05Å; H212-L315 HydrophobicContact CB-CD1 3.96Å; H212-W319 HydrophobicContact CB-CH2 3.63Å; H212-W319 HydrophobicContact CB-CZ2 4.46Å; H212-W319 HydrophobicContact CB-CZ3 4.49Å; H212-W319 AromaticContact CD2-CH2 3.59Å; H212-W319 AromaticContact CD2-CZ3 3.67Å; H212-W319 AromaticContact CG-CH2 3.67Å
213H93.3Very high92Very high8 Ų843.3 Ų43.34%0.03721%0.213CC..Hα-helixtrans-62.3-41.3-179.2-79.672.1000111.5L193 Q209 I210 T216 I217L193-H213 WeakPolarHBondContact CD1-NE2 3.47Å; Q209-H213 PolarHBondContact NE2-CE1 2.8Å; Q209-H213 VanDerWaalsContact NE2-CE1 3.34Å; Q209-H213 PolarHBondContact O-N 2.78Å; Q209-H213 PolarHBondContact O-ND1 3.45Å; I210-H213 PolarHBondContact O-N 3.19Å; I210-H213 VanDerWaalsContact O-N 3.15Å; H213-T216 VanDerWaalsContact CA-OG1 3.31Å; H213-T216 WeakPolarHBondContact CA-OG1 3.43Å; H213-T216 PolarHBondContact O-OG1 3.06Å; H213-I217 WeakPolarHBondContact O-CB 3.45Å; H213-I217 WeakPolarHBondContact O-CD1 3.13Å; H213-I217 WeakPolarHBondContact O-CG1 3.45Å; H213-I217 PolarHBondContact O-N 3.21Å
214V93.8Very high92.8Very high66 Ų6641.4 Ų41.440%0.421%0.206SC..Hα-helixtrans-64.1-47.1175.4174.50000110.5I210 V211 H212 T216 I217 L218I210-V214 HydrophobicContact CG2-CG2 4.4Å; I210-V214 WeakPolarHBondContact O-CG2 3.33Å; I210-V214 PolarHBondContact O-N 3.4Å; V211-V214 PolarHBondContact O-N 2.87Å; H212-V214 VanDerWaalsContact C-N 3.32Å; H212-V214 PolarHBondContact O-N 3.34Å; V214-T216 PolarHBondContact O-N 3.5Å; V214-I217 PolarHBondContact O-N 3.01Å; V214-L218 HydrophobicContact CG1-CD1 3.89Å; V214-L218 HydrophobicContact CG1-CG 4.39Å; V214-L218 WeakPolarHBondContact O-CB 3.44Å; V214-L218 WeakPolarHBondContact O-CG 3.29Å; V214-L218 PolarHBondContact O-N 3.19Å
215A95.9Very high93.3Very high5 Ų536 Ų364%0.04119%0.186CC..Hα-helixtrans-63.3-4118000000112.8V211 H212 L218 L219 V311 L312V211-A215 VanDerWaalsContact O-CB 3.3Å; V211-A215 WeakPolarHBondContact O-CB 3.38Å; V211-A215 PolarHBondContact O-N 3.41Å; H212-A215 PolarHBondContact O-N 2.93Å; A215-L218 PolarHBondContact O-N 3.33Å; A215-L219 WeakPolarHBondContact O-CB 3.49Å; A215-L219 WeakPolarHBondContact O-CG 3.22Å; A215-L219 PolarHBondContact O-N 3.31Å; A215-V311 HydrophobicContact CB-CG1 4.28Å; A215-L312 HydrophobicContact CB-CD1 3.44Å; A215-L312 VanDerWaalsContact CB-CD1 3.44Å
216T95.5Very high93.5Very high9 Ų935.9 Ų35.96%0.05519%0.185CC..Hα-helixtrans-67.8-46.217745.50000112.3H212 H213 V214 L218 L219 I220 L312H212-T216 WeakPolarHBondContact O-CB 3.31Å; H212-T216 WeakPolarHBondContact O-CG2 3.4Å; H212-T216 PolarHBondContact O-N 3.46Å; H212-T216 PolarHBondContact O-OG1 3.05Å; H213-T216 VanDerWaalsContact CA-OG1 3.31Å; H213-T216 WeakPolarHBondContact CA-OG1 3.43Å; H213-T216 PolarHBondContact O-OG1 3.06Å; V214-T216 PolarHBondContact O-N 3.5Å; T216-L218 VanDerWaalsContact C-N 3.28Å; T216-L218 PolarHBondContact O-N 3.28Å; T216-L219 PolarHBondContact O-N 3.23Å; T216-L219 VanDerWaalsContact O-N 3.17Å; T216-I220 VanDerWaalsContact O-CG1 3.29Å; T216-I220 WeakPolarHBondContact O-CG1 3.34Å; T216-I220 PolarHBondContact O-N 3.17Å; T216-L312 HydrophobicContact CG2-CD1 4.33Å; T216-L312 HydrophobicContact CG2-CD2 4.05Å; T216-L312 HydrophobicContact CG2-CG 4.43Å
217I95.8Very high93.8Very high31 Ų3132.8 Ų32.816%0.15917%0.171CC..Hα-helixtrans-59.3-42.4175-70.4167.2000110.6L187 L194 H213 V214 S221L187-I217 HydrophobicContact CD1-CB 4.47Å; L187-I217 HydrophobicContact CD1-CG1 4.47Å; L187-I217 HydrophobicContact CD1-CG2 4.04Å; L194-I217 HydrophobicContact CB-CD1 4.2Å; L194-I217 HydrophobicContact CD2-CD1 3.87Å; H213-I217 WeakPolarHBondContact O-CB 3.45Å; H213-I217 WeakPolarHBondContact O-CD1 3.13Å; H213-I217 WeakPolarHBondContact O-CG1 3.45Å; H213-I217 PolarHBondContact O-N 3.21Å; V214-I217 PolarHBondContact O-N 3.01Å; I217-S221 VanDerWaalsContact O-CB 3.22Å; I217-S221 WeakPolarHBondContact O-CB 3.35Å; I217-S221 PolarHBondContact O-N 2.96Å; I217-S221 PolarHBondContact O-OG 3.31Å
218L96.1Very high93.9Very high77 Ų7725.4 Ų25.440%0.40314%0.139SC..Hα-helixtrans-64-44.3175-72.6174.7000112V214 A215 T216 F222 L308V214-L218 HydrophobicContact CG1-CD1 3.89Å; V214-L218 HydrophobicContact CG1-CG 4.39Å; V214-L218 WeakPolarHBondContact O-CB 3.44Å; V214-L218 WeakPolarHBondContact O-CG 3.29Å; V214-L218 PolarHBondContact O-N 3.19Å; A215-L218 PolarHBondContact O-N 3.33Å; T216-L218 VanDerWaalsContact C-N 3.28Å; T216-L218 PolarHBondContact O-N 3.28Å; L218-F222 WeakPolarHBondContact O-CA 3.21Å; L218-F222 WeakPolarHBondContact O-CB 3.3Å; L218-F222 PolarHBondContact O-N 3.28Å; L218-L308 HydrophobicContact CB-CD1 4Å; L218-L308 HydrophobicContact CD1-CD2 4.47Å
219L96.6Very high93.9Very high8 Ų822.6 Ų22.64%0.04213%0.126CC..Hα-helixtrans-61.6-46.4177-83.4165.2000112.4A215 T216 S223 F305 L308 L309 L312A215-L219 WeakPolarHBondContact O-CB 3.49Å; A215-L219 WeakPolarHBondContact O-CG 3.22Å; A215-L219 PolarHBondContact O-N 3.31Å; T216-L219 PolarHBondContact O-N 3.23Å; T216-L219 VanDerWaalsContact O-N 3.17Å; L219-S223 WeakPolarHBondContact O-CB 3.41Å; L219-S223 PolarHBondContact O-N 3.45Å; L219-S223 PolarHBondContact O-OG 3.11Å; L219-F305 HydrophobicContact CD2-CD2 3.58Å; L219-F305 HydrophobicContact CD2-CE2 3.55Å; L219-F305 HydrophobicContact CD2-CZ 4.48Å; L219-L308 HydrophobicContact CD1-CB 4.11Å; L219-L308 HydrophobicContact CD2-CB 3.56Å; L219-L308 HydrophobicContact CD2-CD1 4.16Å; L219-L308 HydrophobicContact CG-CB 3.66Å; L219-L308 HydrophobicContact CG-CD1 4.09Å; L219-L309 HydrophobicContact CD1-CD2 4.01Å; L219-L309 HydrophobicContact CD2-CD2 3.8Å; L219-L309 HydrophobicContact CD2-CG 4.11Å; L219-L312 HydrophobicContact CD1-CD1 3.65Å; L219-L312 HydrophobicContact CD1-CD2 3.5Å; L219-L312 HydrophobicContact CD1-CG 4.17Å
220I96.6Very high94.2Very high11 Ų1122.8 Ų22.86%0.05613%0.125CC..Hα-helixtrans-64.8-48.7179.7-64168.4000109.6Y183 L187 Y190 T216 S223 W224 M236Y183-I220 HydrophobicContact CD1-CG2 3.6Å; Y183-I220 HydrophobicContact CE1-CG2 3.88Å; L187-I220 HydrophobicContact CB-CG2 3.94Å; L187-I220 HydrophobicContact CD1-CB 4.2Å; L187-I220 HydrophobicContact CD1-CG2 4.03Å; L187-I220 HydrophobicContact CD2-CG2 4.4Å; L187-I220 HydrophobicContact CG-CG2 4.35Å; Y190-I220 HydrophobicContact CD2-CD1 4.07Å; Y190-I220 HydrophobicContact CE2-CD1 4.43Å; T216-I220 VanDerWaalsContact O-CG1 3.29Å; T216-I220 WeakPolarHBondContact O-CG1 3.34Å; T216-I220 PolarHBondContact O-N 3.17Å; I220-S223 PolarHBondContact O-OG 2.97Å; I220-W224 WeakPolarHBondContact O-CB 3.36Å; I220-W224 PolarHBondContact O-N 2.64Å; I220-M236 HydrophobicContact CD1-CG 4.46Å; I220-M236 HydrophobicContact CD1-SD 4.03Å; I220-M236 HydrophobicContact CG1-CG 4.39Å; I220-M236 HydrophobicContact CG1-SD 3.99Å; I220-M236 HydrophobicContact CG2-SD 4.37Å
221S95.6Very high94.3Very high28 Ų2820.7 Ų20.720%0.19611%0.114CC..Hα-helixtrans-64.3-44.9179.9-55.80000112.1I217 W224 C225I217-S221 VanDerWaalsContact O-CB 3.22Å; I217-S221 WeakPolarHBondContact O-CB 3.35Å; I217-S221 PolarHBondContact O-N 2.96Å; I217-S221 PolarHBondContact O-OG 3.31Å; S221-W224 WeakPolarHBondContact O-CB 3.29Å; S221-W224 PolarHBondContact O-N 2.96Å; S221-C225 PolarHBondContact O-N 2.88Å; S221-C225 VanDerWaalsContact O-N 3.09Å; S221-C225 PolarHBondContact O-SG 3.43Å; S221-C225 VanDerWaalsContact O-SG 3.36Å
222F94.4Very high94.4Very high21 Ų2117.3 Ų17.39%0.0929%0.094CC..Hα-helixtrans-64.9-50.7179176.9-95.9000111.1W15 L218 W224 C225 V226 Y228 F304 F305W15-F222 AromaticContact CE3-CE2 3.56Å; W15-F222 HydrophobicContact CE3-CE2 3.56Å; W15-F222 HydrophobicContact CE3-CZ 4.18Å; W15-F222 HydrophobicContact CZ3-CD2 4.37Å; W15-F222 AromaticContact CZ3-CE2 3.57Å; W15-F222 HydrophobicContact CZ3-CE2 3.57Å; W15-F222 HydrophobicContact CZ3-CZ 4.42Å; L218-F222 WeakPolarHBondContact O-CA 3.21Å; L218-F222 WeakPolarHBondContact O-CB 3.3Å; L218-F222 PolarHBondContact O-N 3.28Å; F222-W224 PolarHBondContact O-N 2.93Å; F222-C225 PolarHBondContact O-N 3.17Å; F222-V226 HydrophobicContact CD1-CG2 3.98Å; F222-V226 HydrophobicContact CE1-CG2 3.48Å; F222-V226 VanDerWaalsContact CE1-CG2 3.48Å; F222-V226 HydrophobicContact CE2-CG1 3.92Å; F222-V226 HydrophobicContact CE2-CG2 4.28Å; F222-V226 HydrophobicContact CZ-CB 4.4Å; F222-V226 HydrophobicContact CZ-CG1 3.87Å; F222-V226 HydrophobicContact CZ-CG2 3.66Å; F222-V226 VanDerWaalsContact O-CG2 3.3Å; F222-V226 WeakPolarHBondContact O-CG2 3.42Å; F222-V226 PolarHBondContact O-N 2.83Å; F222-V226 VanDerWaalsContact O-N 3.08Å; F222-Y228 HydrophobicContact CE1-CD2 4.45Å; F222-Y228 HydrophobicContact CE1-CE2 4.12Å; F222-F304 HydrophobicContact CB-CE1 4.23Å; F222-F304 HydrophobicContact CD1-CD1 4.25Å; F222-F304 AromaticContact CD2-CD1 3.69Å; F222-F304 HydrophobicContact CD2-CD1 3.69Å; F222-F304 AromaticContact CD2-CE1 3.7Å; F222-F304 HydrophobicContact CD2-CE1 3.7Å; F222-F304 HydrophobicContact CE1-CD1 4.33Å; F222-F304 AromaticContact CE2-CD1 3.78Å; F222-F304 HydrophobicContact CE2-CD1 3.78Å; F222-F304 HydrophobicContact CE2-CE1 4.25Å; F222-F304 AromaticContact CG-CD1 3.94Å; F222-F304 HydrophobicContact CG-CD1 3.94Å; F222-F304 AromaticContact CG-CE1 3.87Å; F222-F304 HydrophobicContact CG-CE1 3.87Å; F222-F304 HydrophobicContact CZ-CD1 4.1Å; F222-F305 HydrophobicContact CD1-CB 4.19Å; F222-F305 AromaticContact CD1-CD2 3.83Å; F222-F305 HydrophobicContact CD1-CD2 3.83Å; F222-F305 HydrophobicContact CD1-CG 4.42Å; F222-F305 HydrophobicContact CE1-CB 3.74Å; F222-F305 HydrophobicContact CE1-CD2 4.12Å; F222-F305 HydrophobicContact CE1-CG 4.27Å
223S94.9Very high94.4Very high2 Ų216.7 Ų16.71%0.0149%0.092CC..Hα-helixtrans-59.6-30.9179.363.80000112.2Y183 L219 I220 N227 Y228Y183-S223 WeakPolarHBondContact CE1-OG 3.39Å; Y183-S223 PolarHBondContact OH-OG 2.91Å; L219-S223 WeakPolarHBondContact O-CB 3.41Å; L219-S223 PolarHBondContact O-N 3.45Å; L219-S223 PolarHBondContact O-OG 3.11Å; I220-S223 PolarHBondContact O-OG 2.97Å; S223-N227 CarbonylContact O-C 3.54Å; S223-N227 PolarHBondContact O-N 2.59Å; S223-Y228 WeakPolarHBondContact O-CA 3.36Å; S223-Y228 PolarHBondContact O-N 2.96Å
224W94.6Very high94.6Very high0 Ų016.6 Ų16.60%09%0.091CC..Hα-helixtrans-65.7-52170.8-172-94.1000112.2A34 K35 D38 L39 L175 Y180 Y183 M184 I220 S221 F222 V226 N227 I229A34-W224 HydrophobicContact CB-CD2 3.78Å; A34-W224 VanDerWaalsContact CB-CE2 3.49Å; A34-W224 HydrophobicContact CB-CE3 4.28Å; A34-W224 HydrophobicContact CB-CG 4.16Å; A34-W224 HydrophobicContact CB-CH2 4.25Å; A34-W224 HydrophobicContact CB-CZ2 3.76Å; A34-W224 VanDerWaalsContact CB-O 3.3Å; A34-W224 WeakPolarHBondContact CB-O 3.49Å; K35-W224 PolarHBondContact O-NE1 3.37Å; D38-W224 HydrophobicContact CB-CZ2 4.03Å; L39-W224 HydrophobicContact CD2-CB 3.91Å; L39-W224 HydrophobicContact CD2-CG 3.77Å; L39-W224 HydrophobicContact CG-CG 4.42Å; L175-W224 HydrophobicContact CD1-CH2 3.56Å; L175-W224 HydrophobicContact CD1-CZ3 3.85Å; L175-W224 HydrophobicContact CD2-CH2 3.63Å; L175-W224 HydrophobicContact CD2-CZ2 3.92Å; L175-W224 HydrophobicContact CG-CH2 4.25Å; Y180-W224 AromaticContact CD2-CH2 3.47Å; Y180-W224 HydrophobicContact CD2-CH2 3.47Å; Y180-W224 VanDerWaalsContact CD2-CH2 3.47Å; Y180-W224 AromaticContact CD2-CZ2 3.67Å; Y180-W224 HydrophobicContact CD2-CZ2 3.67Å; Y180-W224 HydrophobicContact CE2-CH2 4.23Å; Y180-W224 HydrophobicContact CE2-CZ2 4.01Å; Y180-W224 HydrophobicContact CG-CH2 4.14Å; Y183-W224 HydrophobicContact CD1-CB 4.43Å; Y183-W224 HydrophobicContact CD1-CD2 4.44Å; Y183-W224 AromaticContact CD1-CE3 3.52Å; Y183-W224 HydrophobicContact CD1-CE3 3.52Å; Y183-W224 HydrophobicContact CD1-CZ3 4.21Å; Y183-W224 HydrophobicContact CD2-CE3 4.17Å; Y183-W224 HydrophobicContact CD2-CZ3 4.13Å; Y183-W224 HydrophobicContact CE1-CB 4.35Å; Y183-W224 HydrophobicContact CE1-CE3 4.05Å; Y183-W224 AromaticContact CG-CE3 3.57Å; Y183-W224 HydrophobicContact CG-CE3 3.57Å; Y183-W224 AromaticContact CG-CZ3 3.76Å; Y183-W224 HydrophobicContact CG-CZ3 3.76Å; M184-W224 HydrophobicContact CE-CD2 3.67Å; M184-W224 HydrophobicContact CE-CE3 3.96Å; M184-W224 HydrophobicContact CE-CG 4.41Å; M184-W224 HydrophobicContact CE-CH2 3.61Å; M184-W224 HydrophobicContact CE-CZ2 3.28Å; M184-W224 HydrophobicContact CE-CZ3 3.94Å; I220-W224 WeakPolarHBondContact O-CB 3.36Å; I220-W224 PolarHBondContact O-N 2.64Å; S221-W224 WeakPolarHBondContact O-CB 3.29Å; S221-W224 PolarHBondContact O-N 2.96Å; F222-W224 PolarHBondContact O-N 2.93Å; W224-V226 PolarHBondContact O-N 2.99Å; W224-N227 PolarHBondContact O-N 2.75Å; W224-N227 VanDerWaalsContact O-N 3.16Å; W224-I229 HydrophobicContact CD2-CD1 4.02Å; W224-I229 HydrophobicContact CE3-CD1 3.34Å; W224-I229 HydrophobicContact CZ3-CD1 3.72Å
225C91.2Very high94.7Very high24 Ų2414 Ų1416%0.1628%0.075CC..Hα-helixtrans-60-40.2-176.6-720000113.5W22 S221 F222 N227W22-C225 WeakPolarHBondContact CZ3-O 3.33Å; S221-C225 PolarHBondContact O-N 2.88Å; S221-C225 VanDerWaalsContact O-N 3.09Å; S221-C225 PolarHBondContact O-SG 3.43Å; S221-C225 VanDerWaalsContact O-SG 3.36Å; F222-C225 PolarHBondContact O-N 3.17Å; C225-N227 VanDerWaalsContact C-N 3.35Å
226V89.8Confident94.8Very high2 Ų214.2 Ų14.21%0.0128%0.075CC..THydrogen-bonded Turntrans-95.513.2180-62.80000113.4W15 W22 F222 W224 Y228W15-V226 HydrophobicContact CB-CG1 4.06Å; W22-V226 HydrophobicContact CH2-CG1 4.44Å; F222-V226 HydrophobicContact CD1-CG2 3.98Å; F222-V226 HydrophobicContact CE1-CG2 3.48Å; F222-V226 VanDerWaalsContact CE1-CG2 3.48Å; F222-V226 HydrophobicContact CE2-CG1 3.92Å; F222-V226 HydrophobicContact CE2-CG2 4.28Å; F222-V226 HydrophobicContact CZ-CB 4.4Å; F222-V226 HydrophobicContact CZ-CG1 3.87Å; F222-V226 HydrophobicContact CZ-CG2 3.66Å; F222-V226 VanDerWaalsContact O-CG2 3.3Å; F222-V226 WeakPolarHBondContact O-CG2 3.42Å; F222-V226 PolarHBondContact O-N 2.83Å; F222-V226 VanDerWaalsContact O-N 3.08Å; W224-V226 PolarHBondContact O-N 2.99Å; V226-Y228 HydrophobicContact CB-CD1 4.1Å; V226-Y228 HydrophobicContact CB-CE1 3.9Å; V226-Y228 HydrophobicContact CG2-CD1 3.41Å; V226-Y228 VanDerWaalsContact CG2-CD1 3.41Å; V226-Y228 HydrophobicContact CG2-CD2 4.03Å; V226-Y228 HydrophobicContact CG2-CE1 3.39Å; V226-Y228 HydrophobicContact CG2-CE2 4.09Å; V226-Y228 HydrophobicContact CG2-CG 3.74Å; V226-Y228 VanDerWaalsContact O-CD1 3.27Å; V226-Y228 WeakPolarHBondContact O-CD1 3.49Å; V226-Y228 PolarHBondContact O-N 3.26Å
227N91.4Very high94.8Very high0 Ų014.5 Ų14.50%08%0.077CC..THydrogen-bonded Turntrans60.636.3176.6-157.434.9000115.3L25 P171 L173 S223 W224 C225 I229L25-N227 HydrophobicContact CD1-CB 4.1Å; L25-N227 HydrophobicContact CD2-CB 3.87Å; P171-N227 PolarHBondContact O-ND2 2.93Å; L173-N227 PolarHBondContact N-ND2 3.39Å; L173-N227 VanDerWaalsContact N-ND2 3.2Å; L173-N227 PolarHBondContact O-ND2 3.46Å; L173-N227 PolarHBondContact O-OD1 3.09Å; S223-N227 CarbonylContact O-C 3.54Å; S223-N227 PolarHBondContact O-N 2.59Å; W224-N227 PolarHBondContact O-N 2.75Å; W224-N227 VanDerWaalsContact O-N 3.16Å; C225-N227 VanDerWaalsContact C-N 3.35Å; N227-I229 PolarHBondContact O-N 3.08Å; N227-I229 VanDerWaalsContact O-N 3.13Å; N227-I229 WeakPolarHBondContact OD1-CG1 3.3Å
228Y93.1Very high94.8Very high6 Ų613.7 Ų13.72%0.0247%0.073CC..  trans-83.634.4173.5-68.815.3000111.5W167 F170 F222 S223 V226 R230 A231 G232 F299 F305W167-Y228 HydrophobicContact CH2-CD1 4.26Å; W167-Y228 AromaticContact CH2-CD2 3.47Å; W167-Y228 HydrophobicContact CH2-CD2 3.47Å; W167-Y228 VanDerWaalsContact CH2-CD2 3.47Å; W167-Y228 HydrophobicContact CH2-CE1 4.35Å; W167-Y228 AromaticContact CH2-CE2 3.52Å; W167-Y228 HydrophobicContact CH2-CE2 3.52Å; W167-Y228 AromaticContact CH2-CG 3.84Å; W167-Y228 HydrophobicContact CH2-CG 3.84Å; W167-Y228 AromaticContact CH2-CZ 3.96Å; W167-Y228 AromaticContact CZ3-CD1 3.85Å; W167-Y228 HydrophobicContact CZ3-CD1 3.85Å; W167-Y228 AromaticContact CZ3-CD2 3.92Å; W167-Y228 HydrophobicContact CZ3-CD2 3.92Å; W167-Y228 AromaticContact CZ3-CE1 3.94Å; W167-Y228 HydrophobicContact CZ3-CE1 3.94Å; W167-Y228 AromaticContact CZ3-CE2 3.95Å; W167-Y228 HydrophobicContact CZ3-CE2 3.95Å; W167-Y228 AromaticContact CZ3-CG 3.84Å; W167-Y228 HydrophobicContact CZ3-CG 3.84Å; W167-Y228 AromaticContact CZ3-CZ 3.94Å; F170-Y228 HydrophobicContact CD2-CD1 4.05Å; F170-Y228 HydrophobicContact CD2-CE1 4.07Å; F170-Y228 HydrophobicContact CE1-CE1 4.47Å; F170-Y228 AromaticContact CE2-CD1 3.37Å; F170-Y228 HydrophobicContact CE2-CD1 3.37Å; F170-Y228 AromaticContact CE2-CE1 3.11Å; F170-Y228 HydrophobicContact CE2-CE1 3.11Å; F170-Y228 HydrophobicContact CZ-CD1 4.11Å; F170-Y228 AromaticContact CZ-CE1 3.36Å; F170-Y228 HydrophobicContact CZ-CE1 3.36Å; F222-Y228 HydrophobicContact CE1-CD2 4.45Å; F222-Y228 HydrophobicContact CE1-CE2 4.12Å; S223-Y228 WeakPolarHBondContact O-CA 3.36Å; S223-Y228 PolarHBondContact O-N 2.96Å; V226-Y228 HydrophobicContact CB-CD1 4.1Å; V226-Y228 HydrophobicContact CB-CE1 3.9Å; V226-Y228 HydrophobicContact CG2-CD1 3.41Å; V226-Y228 VanDerWaalsContact CG2-CD1 3.41Å; V226-Y228 HydrophobicContact CG2-CD2 4.03Å; V226-Y228 HydrophobicContact CG2-CE1 3.39Å; V226-Y228 HydrophobicContact CG2-CE2 4.09Å; V226-Y228 HydrophobicContact CG2-CG 3.74Å; V226-Y228 VanDerWaalsContact O-CD1 3.27Å; V226-Y228 WeakPolarHBondContact O-CD1 3.49Å; V226-Y228 PolarHBondContact O-N 3.26Å; Y228-R230 VanDerWaalsContact C-N 3.34Å; Y228-R230 PolarHBondContact O-N 2.94Å; Y228-A231 PolarHBondContact O-N 3.48Å; Y228-A231 VanDerWaalsContact O-N 3.12Å; Y228-G232 PolarHBondContact O-N 2.98Å; Y228-F299 VanDerWaalsContact OH-CZ 3.32Å; Y228-F299 WeakPolarHBondContact OH-CZ 3.31Å; Y228-F305 AromaticContact CD2-CD1 3.86Å; Y228-F305 HydrophobicContact CD2-CD1 3.86Å; Y228-F305 HydrophobicContact CD2-CD2 4.03Å; Y228-F305 AromaticContact CD2-CE1 3.92Å; Y228-F305 HydrophobicContact CD2-CE1 3.92Å; Y228-F305 HydrophobicContact CD2-CE2 4.11Å; Y228-F305 AromaticContact CD2-CG 3.9Å; Y228-F305 HydrophobicContact CD2-CG 3.9Å; Y228-F305 HydrophobicContact CD2-CZ 4.05Å; Y228-F305 HydrophobicContact CE2-CB 4.05Å; Y228-F305 AromaticContact CE2-CD1 3.81Å; Y228-F305 HydrophobicContact CE2-CD1 3.81Å; Y228-F305 HydrophobicContact CE2-CD2 4.34Å; Y228-F305 HydrophobicContact CE2-CE1 4.31Å; Y228-F305 AromaticContact CE2-CG 3.81Å; Y228-F305 HydrophobicContact CE2-CG 3.81Å
229I93.4Very high94.8Very high2 Ų210.4 Ų10.41%0.016%0.056CC..Hα-helixtrans-59.4-41.9-167.2-56.4-55.8000112.3A34 L175 Q179 Y183 W224 N227 G232 T233A34-I229 HydrophobicContact CB-CD1 3.9Å; A34-I229 HydrophobicContact CB-CG1 4.28Å; L175-I229 HydrophobicContact CD1-CG2 4.23Å; Q179-I229 HydrophobicContact CB-CG2 3.86Å; Q179-I229 HydrophobicContact CG-CG2 4.26Å; Y183-I229 HydrophobicContact CD2-CG2 4.43Å; Y183-I229 HydrophobicContact CE1-CD1 4.49Å; Y183-I229 HydrophobicContact CE2-CD1 4.24Å; Y183-I229 HydrophobicContact CE2-CG2 3.95Å; W224-I229 HydrophobicContact CD2-CD1 4.02Å; W224-I229 HydrophobicContact CE3-CD1 3.34Å; W224-I229 HydrophobicContact CZ3-CD1 3.72Å; N227-I229 PolarHBondContact O-N 3.08Å; N227-I229 VanDerWaalsContact O-N 3.13Å; N227-I229 WeakPolarHBondContact OD1-CG1 3.3Å; I229-G232 PolarHBondContact O-N 2.72Å; I229-T233 HydrophobicContact CG2-CG2 4.36Å; I229-T233 WeakPolarHBondContact O-CB 3.46Å; I229-T233 WeakPolarHBondContact O-CG2 3.37Å; I229-T233 PolarHBondContact O-N 3.47Å; I229-T233 PolarHBondContact O-OG1 2.95Å
230R94.7Very high94.7Very high45 Ų4510 Ų1017%0.175%0.054CC..Hα-helixtrans-62.2-46.7177.7-64.6-177.8-176177.94111.4W159 E165 Q168 L173 Y228 T233 L234W159-R230 HydrophobicContact CD2-CB 4.25Å; W159-R230 HydrophobicContact CD2-CG 3.79Å; W159-R230 HydrophobicContact CE3-CG 3.99Å; W159-R230 HydrophobicContact CG-CB 4.11Å; W159-R230 HydrophobicContact CG-CG 4.18Å; W159-R230 HydrophobicContact CZ2-CG 4.41Å; W159-R230 HydrophobicContact CZ3-CG 4.37Å; E165-R230 VanDerWaalsContact O-CD 3.25Å; E165-R230 WeakPolarHBondContact O-CD 3.32Å; E165-R230 PolarHBondContact O-NH1 2.95Å; E165-R230 IonicContact OE2-NH1 3.85Å; Q168-R230 PolarHBondContact O-NH1 3.48Å; Q168-R230 VanDerWaalsContact O-NH1 3.15Å; L173-R230 HydrophobicContact CD1-CB 4.46Å; L173-R230 HydrophobicContact CD1-CG 4.12Å; Y228-R230 VanDerWaalsContact C-N 3.34Å; Y228-R230 PolarHBondContact O-N 2.94Å; R230-T233 PolarHBondContact O-OG1 3.15Å; R230-L234 WeakPolarHBondContact O-CG 3.29Å; R230-L234 PolarHBondContact O-N 2.99Å
231A94.8Very high94.7Very high1 Ų110 Ų101%0.0086%0.055CC..Hα-helixtrans-62.4-49.9177.900000111.7M166 W167 Y228 T233 L234 I235 F305M166-A231 HydrophobicContact CG-CB 3.57Å; M166-A231 VanDerWaalsContact SD-CA 3.53Å; M166-A231 HydrophobicContact SD-CB 3.42Å; M166-A231 WeakPolarHBondContact SD-CB 3.49Å; W167-A231 HydrophobicContact CH2-CB 4.45Å; W167-A231 HydrophobicContact CZ2-CB 4.31Å; Y228-A231 PolarHBondContact O-N 3.48Å; Y228-A231 VanDerWaalsContact O-N 3.12Å; A231-T233 PolarHBondContact O-N 2.9Å; A231-L234 PolarHBondContact O-N 3.35Å; A231-I235 WeakPolarHBondContact O-CD1 3.35Å; A231-I235 VanDerWaalsContact O-CG1 3.25Å; A231-I235 WeakPolarHBondContact O-CG1 3.39Å; A231-I235 PolarHBondContact O-N 3.37Å; A231-F305 HydrophobicContact CB-CZ 4.45Å
232G95.6Very high94.7Very high4 Ų48.7 Ų8.74%0.0415%0.045CC..Hα-helixtrans-69.7-32.6-176.600000113.5Y183 Y228 I229 L234 I235 M236Y183-G232 WeakPolarHBondContact OH-CA 3.46Å; Y228-G232 PolarHBondContact O-N 2.98Å; I229-G232 PolarHBondContact O-N 2.72Å; G232-L234 PolarHBondContact O-N 3.48Å; G232-I235 PolarHBondContact O-N 2.99Å; G232-M236 WeakPolarHBondContact O-CG 3.45Å; G232-M236 PolarHBondContact O-N 3.16Å
233T96.1Very high94.7Very high0 Ų08.9 Ų8.90%05%0.047CC..Hα-helixtrans-62.8-39.9171.2530000112.9Q179 Y182 Y183 I229 R230 A231 M236 L237Q179-T233 HydrophobicContact CB-CG2 4.26Å; Q179-T233 HydrophobicContact CG-CG2 4.14Å; Y182-T233 HydrophobicContact CD1-CG2 3.93Å; Y182-T233 HydrophobicContact CE1-CG2 4.37Å; Y183-T233 HydrophobicContact CD2-CG2 3.88Å; Y183-T233 HydrophobicContact CE2-CG2 3.53Å; I229-T233 HydrophobicContact CG2-CG2 4.36Å; I229-T233 WeakPolarHBondContact O-CB 3.46Å; I229-T233 WeakPolarHBondContact O-CG2 3.37Å; I229-T233 PolarHBondContact O-N 3.47Å; I229-T233 PolarHBondContact O-OG1 2.95Å; R230-T233 PolarHBondContact O-OG1 3.15Å; A231-T233 PolarHBondContact O-N 2.9Å; T233-M236 HydrophobicContact CG2-CE 4.29Å; T233-M236 PolarHBondContact O-N 3.45Å; T233-L237 WeakPolarHBondContact O-CB 3.28Å; T233-L237 PolarHBondContact O-N 3Å
234L96.4Very high94.8Very high6 Ų610.3 Ų10.33%0.0315%0.053CC..Hα-helixtrans-66.1-42.7174.1-67.7172.2000111.8W159 L160 M166 R230 A231 G232 L237 V238 I284W159-L234 WeakPolarHBondContact O-CD1 3.28Å; L160-L234 HydrophobicContact CD1-CD2 3.96Å; M166-L234 HydrophobicContact CB-CD1 4.46Å; M166-L234 HydrophobicContact CG-CD1 4.48Å; M166-L234 HydrophobicContact SD-CD1 4.3Å; R230-L234 WeakPolarHBondContact O-CG 3.29Å; R230-L234 PolarHBondContact O-N 2.99Å; A231-L234 PolarHBondContact O-N 3.35Å; G232-L234 PolarHBondContact O-N 3.48Å; L234-L237 PolarHBondContact O-N 3.41Å; L234-V238 WeakPolarHBondContact O-CB 3.22Å; L234-V238 VanDerWaalsContact O-CG2 3.28Å; L234-V238 WeakPolarHBondContact O-CG2 3.21Å; L234-V238 PolarHBondContact O-N 2.94Å; L234-I284 HydrophobicContact CB-CD1 4.36Å
235I96.6Very high94.9Very high13 Ų1312.7 Ų12.77%0.0676%0.063CC..Hα-helixtrans-57.7-54174.9-68.3159.8000109A231 G232 L237 V238 H239 F280 I284 F305 L309A231-I235 WeakPolarHBondContact O-CD1 3.35Å; A231-I235 VanDerWaalsContact O-CG1 3.25Å; A231-I235 WeakPolarHBondContact O-CG1 3.39Å; A231-I235 PolarHBondContact O-N 3.37Å; G232-I235 PolarHBondContact O-N 2.99Å; I235-L237 VanDerWaalsContact C-N 3.33Å; I235-L237 PolarHBondContact O-N 3.35Å; I235-V238 PolarHBondContact O-N 2.98Å; I235-H239 PolarHBondContact O-N 3.48Å; I235-H239 PolarHBondContact O-ND1 3.46Å; I235-F280 HydrophobicContact CG1-CE2 4.32Å; I235-F280 HydrophobicContact CG2-CE2 4.4Å; I235-I284 HydrophobicContact CD1-CG2 4.2Å; I235-I284 HydrophobicContact CG1-CD1 4.29Å; I235-I284 HydrophobicContact CG1-CG2 3.71Å; I235-F305 HydrophobicContact CD1-CE1 4.49Å; I235-F305 HydrophobicContact CD1-CE2 4.47Å; I235-F305 HydrophobicContact CD1-CZ 3.68Å; I235-L309 HydrophobicContact CD1-CD2 3.72Å; I235-L309 HydrophobicContact CG1-CD2 4.45Å
236M96.8Very high95.1Very high8 Ų813 Ų134%0.0396%0.063CC..Hα-helixtrans-60.5-37.6178.7-67.1-178.7-5600112.9Y182 Y183 E186 I220 G232 T233 H239 D240Y182-M236 HydrophobicContact CD1-CE 3.86Å; Y182-M236 HydrophobicContact CE1-CB 4.04Å; Y182-M236 HydrophobicContact CE1-CE 3.85Å; Y182-M236 HydrophobicContact CG-CE 4.48Å; Y182-M236 VanDerWaalsContact OH-C 3.29Å; Y183-M236 HydrophobicContact CD1-CE 4.19Å; Y183-M236 HydrophobicContact CD2-CE 3.43Å; Y183-M236 VanDerWaalsContact CD2-CE 3.43Å; Y183-M236 HydrophobicContact CE1-CE 4.26Å; Y183-M236 HydrophobicContact CE2-CE 3.51Å; Y183-M236 HydrophobicContact CG-CE 3.81Å; E186-M236 HydrophobicContact CB-SD 3.71Å; E186-M236 HydrophobicContact CG-SD 3.72Å; I220-M236 HydrophobicContact CD1-CG 4.46Å; I220-M236 HydrophobicContact CD1-SD 4.03Å; I220-M236 HydrophobicContact CG1-CG 4.39Å; I220-M236 HydrophobicContact CG1-SD 3.99Å; I220-M236 HydrophobicContact CG2-SD 4.37Å; G232-M236 WeakPolarHBondContact O-CG 3.45Å; G232-M236 PolarHBondContact O-N 3.16Å; T233-M236 HydrophobicContact CG2-CE 4.29Å; T233-M236 PolarHBondContact O-N 3.45Å; M236-H239 CarbonylContact O-C 3.57Å; M236-H239 WeakPolarHBondContact O-CA 3.47Å; M236-H239 PolarHBondContact O-N 3.46Å; M236-D240 PolarHBondContact O-N 2.95Å
237L96.8Very high95.4Very high16 Ų1613.4 Ų13.48%0.0847%0.065CC..Hα-helixtrans-65.2-44.1176.9-17965.1000112.6F147 L151 L154 L160 Y182 T233 L234 I235 H239 D240 S241F147-L237 HydrophobicContact CD2-CD1 3.86Å; F147-L237 HydrophobicContact CE2-CD1 3.88Å; L151-L237 HydrophobicContact CB-CD1 4.32Å; L154-L237 HydrophobicContact CD1-CB 3.97Å; L154-L237 HydrophobicContact CD1-CD2 3.78Å; L154-L237 HydrophobicContact CD1-CG 4.42Å; L160-L237 HydrophobicContact CD1-CD2 3.62Å; Y182-L237 WeakPolarHBondContact OH-CA 3.42Å; Y182-L237 PolarHBondContact OH-N 3.42Å; T233-L237 WeakPolarHBondContact O-CB 3.28Å; T233-L237 PolarHBondContact O-N 3Å; L234-L237 PolarHBondContact O-N 3.41Å; I235-L237 VanDerWaalsContact C-N 3.33Å; I235-L237 PolarHBondContact O-N 3.35Å; L237-H239 VanDerWaalsContact C-N 3.3Å; L237-D240 PolarHBondContact O-N 2.84Å; L237-S241 PolarHBondContact O-N 2.95Å
238V96.4Very high95.6Very high14 Ų1414 Ų149%0.0857%0.069CC..Hα-helixtrans-64.6-41.8175.2172.80000109.6L234 I235 S241 T275 R276 F279 F280 I284L234-V238 WeakPolarHBondContact O-CB 3.22Å; L234-V238 VanDerWaalsContact O-CG2 3.28Å; L234-V238 WeakPolarHBondContact O-CG2 3.21Å; L234-V238 PolarHBondContact O-N 2.94Å; I235-V238 PolarHBondContact O-N 2.98Å; V238-S241 PolarHBondContact O-OG 2.92Å; V238-T275 VanDerWaalsContact CG1-O 3.32Å; V238-T275 WeakPolarHBondContact CG1-O 3.49Å; V238-R276 PolarHBondContact O-NH1 3.2Å; V238-F279 HydrophobicContact CG1-CD1 4.3Å; V238-F279 HydrophobicContact CG2-CD1 3.48Å; V238-F279 VanDerWaalsContact CG2-CD1 3.48Å; V238-F279 HydrophobicContact CG2-CE1 3.57Å; V238-F280 HydrophobicContact CG1-CB 4.28Å; V238-I284 HydrophobicContact CB-CD1 4.28Å; V238-I284 HydrophobicContact CG2-CD1 3.8Å
239H95.4Very high95.7Very high7 Ų714 Ų143%0.0327%0.07CC..Hα-helixtrans-22.4-75.2153.7-1238.7000114.7I235 M236 L237 S241 R276 F280 H316I235-H239 PolarHBondContact O-N 3.48Å; I235-H239 PolarHBondContact O-ND1 3.46Å; M236-H239 CarbonylContact O-C 3.57Å; M236-H239 WeakPolarHBondContact O-CA 3.47Å; M236-H239 PolarHBondContact O-N 3.46Å; L237-H239 VanDerWaalsContact C-N 3.3Å; H239-S241 VanDerWaalsContact C-N 3.31Å; H239-S241 PolarHBondContact O-N 3.27Å; H239-R276 VanDerWaalsContact C-NH2 3.27Å; H239-R276 VanDerWaalsContact CA-NH2 3.3Å; H239-R276 VanDerWaalsContact CB-CZ 3.44Å; H239-R276 PolarHBondContact CD2-NH1 3.41Å; H239-R276 PolarHBondContact CD2-NH2 3.29Å; H239-R276 PolarHBondContact CE1-NH1 2.79Å; H239-R276 PolarHBondContact ND1-NH1 3.03Å; H239-R276 PolarHBondContact NE2-NH1 2.74Å; H239-R276 PolarHBondContact O-NH2 3.16Å; H239-F280 AromaticContact CE1-CD2 3.78Å; H239-F280 AromaticContact CE1-CE2 3.62Å; H239-F280 AromaticContact CE1-CZ 3.91Å; H239-H316 AromaticContact CD2-CE1 3.64Å; H239-H316 AromaticContact CD2-NE2 3.59Å; H239-H316 AromaticContact NE2-CE1 3.07Å; H239-H316 PolarHBondContact NE2-CE1 3.2Å; H239-H316 AromaticContact NE2-NE2 3.55Å
240D95.1Very high95.6Very high0 Ų014.6 Ų14.60%07%0.073CC..Hα-helixtrans-84.9-9.4-163.2-57.7-31.2000113.7F147 M236 L237 S242 D243 Y244F147-D240 HydrophobicContact CB-CB 4.02Å; M236-D240 PolarHBondContact O-N 2.95Å; L237-D240 PolarHBondContact O-N 2.84Å; D240-S242 VanDerWaalsContact C-N 3.28Å; D240-S242 PolarHBondContact O-N 2.69Å; D240-D243 PolarHBondContact O-N 3.36Å; D240-Y244 WeakPolarHBondContact O-CD1 3.16Å
241S95.7Very high95.6Very high11 Ų1113.2 Ų13.28%0.0777%0.068CC..THydrogen-bonded Turntrans-58-31-174.965.60000115.4L237 V238 H239 Y244 T275L237-S241 PolarHBondContact O-N 2.95Å; V238-S241 PolarHBondContact O-OG 2.92Å; H239-S241 VanDerWaalsContact C-N 3.31Å; H239-S241 PolarHBondContact O-N 3.27Å; S241-Y244 VanDerWaalsContact O-CE1 3.22Å; S241-Y244 WeakPolarHBondContact O-CE1 3.08Å; S241-T275 WeakPolarHBondContact OG-CB 3.33Å; S241-T275 VanDerWaalsContact OG-CG2 3.29Å; S241-T275 WeakPolarHBondContact OG-CG2 3.4Å; S241-T275 PolarHBondContact OG-OG1 3.36Å
242S96Very high95.5Very high0 Ų015.4 Ų15.40%08%0.078CC..THydrogen-bonded Turntrans-101.7-25.6-177.452.40000114.4D240 Y244 F245 L246 F268D240-S242 VanDerWaalsContact C-N 3.28Å; D240-S242 PolarHBondContact O-N 2.69Å; S242-Y244 PolarHBondContact O-N 3.4Å; S242-F245 WeakPolarHBondContact O-CB 3.48Å; S242-F245 PolarHBondContact O-N 2.97Å; S242-F245 VanDerWaalsContact O-N 3.09Å; S242-L246 PolarHBondContact O-N 3.48Å; S242-F268 WeakPolarHBondContact O-CD2 3.32Å
243D94.8Very high95.3Very high26 Ų2616.7 Ų16.714%0.1398%0.084CC..Hα-helixtrans-77.1-30.7-154.5-72.411.5000112.6Y143 D240 F245 L246 E247 R276Y143-D243 HydrophobicContact CD1-CB 4.15Å; Y143-D243 HydrophobicContact CD2-CB 3.78Å; Y143-D243 HydrophobicContact CE1-CB 4.47Å; Y143-D243 HydrophobicContact CE2-CB 4.13Å; Y143-D243 HydrophobicContact CG-CB 3.82Å; D240-D243 PolarHBondContact O-N 3.36Å; D243-F245 VanDerWaalsContact C-N 3.29Å; D243-F245 PolarHBondContact O-N 3.5Å; D243-L246 WeakPolarHBondContact O-CB 3.25Å; D243-L246 PolarHBondContact O-N 3.28Å; D243-E247 PolarHBondContact O-N 2.86Å; D243-R276 IonicContact OD1-NH2 3.87Å
244Y96.8Very high95Very high32 Ų3217.5 Ų17.513%0.1259%0.087CC..Hα-helixtrans-65.9-30.417263.3-93.6000112.5F140 L144 F147 D240 S241 S242 S248F140-Y244 VanDerWaalsContact CD2-O 3.26Å; F140-Y244 WeakPolarHBondContact CD2-O 3.37Å; L144-Y244 HydrophobicContact CB-CG 4.38Å; L144-Y244 HydrophobicContact CD1-CD2 4.11Å; L144-Y244 HydrophobicContact CD1-CE2 4.36Å; L144-Y244 HydrophobicContact CD1-CG 4.24Å; F147-Y244 HydrophobicContact CB-CD1 4.29Å; F147-Y244 HydrophobicContact CB-CE1 4.08Å; F147-Y244 AromaticContact CD1-CE1 3.75Å; F147-Y244 HydrophobicContact CD1-CE1 3.75Å; F147-Y244 HydrophobicContact CE1-CE1 4.36Å; F147-Y244 AromaticContact CG-CE1 3.87Å; F147-Y244 HydrophobicContact CG-CE1 3.87Å; D240-Y244 WeakPolarHBondContact O-CD1 3.16Å; S241-Y244 VanDerWaalsContact O-CE1 3.22Å; S241-Y244 WeakPolarHBondContact O-CE1 3.08Å; S242-Y244 PolarHBondContact O-N 3.4Å; Y244-S248 VanDerWaalsContact O-CB 3.29Å; Y244-S248 WeakPolarHBondContact O-CB 3.36Å; Y244-S248 PolarHBondContact O-N 3.35Å; Y244-S248 PolarHBondContact O-OG 3.05Å
245F97.2Very high94.7Very high49 Ų4917.9 Ų17.922%0.2159%0.09CC..Hα-helixtrans-67.7-40.3173-66.2-70.7000111.5S242 D243 S248 A249 I264 V267 F268 V271S242-F245 WeakPolarHBondContact O-CB 3.48Å; S242-F245 PolarHBondContact O-N 2.97Å; S242-F245 VanDerWaalsContact O-N 3.09Å; D243-F245 VanDerWaalsContact C-N 3.29Å; D243-F245 PolarHBondContact O-N 3.5Å; F245-S248 WeakPolarHBondContact O-CB 3.3Å; F245-S248 PolarHBondContact O-N 2.93Å; F245-A249 WeakPolarHBondContact O-CB 3.24Å; F245-A249 PolarHBondContact O-N 2.82Å; F245-I264 HydrophobicContact CB-CG2 4.36Å; F245-I264 HydrophobicContact CD1-CG2 4.43Å; F245-I264 VanDerWaalsContact O-CG2 3.31Å; F245-I264 WeakPolarHBondContact O-CG2 3.41Å; F245-V267 HydrophobicContact CD1-CG1 4.09Å; F245-V267 HydrophobicContact CE1-CG1 3.86Å; F245-V267 HydrophobicContact CE2-CG1 4.45Å; F245-V267 HydrophobicContact CG-CG1 4.48Å; F245-V267 HydrophobicContact CZ-CG1 4.05Å; F245-F268 HydrophobicContact CB-CB 3.68Å; F245-F268 HydrophobicContact CB-CD2 4.43Å; F245-V271 HydrophobicContact CD2-CG2 4.45Å; F245-V271 HydrophobicContact CE2-CG2 4.09Å
246L94.8Very high94.2Very high32 Ų3219.5 Ų19.517%0.16811%0.111CC..Hα-helixtrans-61-48.8176.817859.3000111.7S242 D243 S248 A249 K250 F268S242-L246 PolarHBondContact O-N 3.48Å; D243-L246 WeakPolarHBondContact O-CB 3.25Å; D243-L246 PolarHBondContact O-N 3.28Å; L246-S248 VanDerWaalsContact C-N 3.33Å; L246-A249 PolarHBondContact O-N 3.43Å; L246-K250 WeakPolarHBondContact O-CG 3.38Å; L246-K250 PolarHBondContact O-N 3.15Å; L246-K250 VanDerWaalsContact O-N 3.11Å; L246-F268 HydrophobicContact CB-CD2 3.69Å; L246-F268 HydrophobicContact CB-CE1 4.48Å; L246-F268 HydrophobicContact CB-CE2 3.61Å; L246-F268 HydrophobicContact CB-CG 4.17Å; L246-F268 HydrophobicContact CB-CZ 4.03Å; L246-F268 HydrophobicContact CD1-CD1 4.14Å; L246-F268 HydrophobicContact CD1-CE1 3.75Å; L246-F268 HydrophobicContact CD1-CE2 4.33Å; L246-F268 HydrophobicContact CD1-CZ 3.85Å; L246-F268 HydrophobicContact CD2-CE2 4.23Å; L246-F268 HydrophobicContact CD2-CZ 4.05Å; L246-F268 HydrophobicContact CG-CE2 4.26Å; L246-F268 HydrophobicContact CG-CZ 4.18Å
247E96Very high93.9Very high9 Ų925.1 Ų25.14%0.04213%0.131CC..Hα-helixtrans-67.5-35.3179.7-62.9-56.6146.600111.6A136 R139 F140 Y143 D243 K250 M251A136-E247 WeakPolarHBondContact CA-OE2 3.38Å; R139-E247 HydrophobicContact CB-CG 3.76Å; F140-E247 HydrophobicContact CB-CB 3.75Å; Y143-E247 HydrophobicContact CD2-CG 4.03Å; Y143-E247 HydrophobicContact CE2-CG 4.17Å; D243-E247 PolarHBondContact O-N 2.86Å; E247-K250 PolarHBondContact O-N 3.49Å; E247-K250 IonicContact OE1-NZ 2.67Å; E247-K250 PolarHBondContact OE1-NZ 3.26Å; E247-K250 WeakPolarHBondContact OE2-CD 3.36Å; E247-K250 IonicContact OE2-NZ 3.92Å; E247-K250 PolarHBondContact OE2-NZ 2.93Å; E247-M251 WeakPolarHBondContact O-CG 3.14Å; E247-M251 PolarHBondContact O-N 3.07Å
248S95.7Very high93.2Very high14 Ų1432.3 Ų32.310%0.09816%0.157CC..Hα-helixtrans-59.6-48.7170.5-62.10000112.1F140 Y244 F245 L246 K250 M251 F252F140-S248 WeakPolarHBondContact CD2-OG 3.4Å; F140-S248 WeakPolarHBondContact CE2-OG 3.48Å; Y244-S248 VanDerWaalsContact O-CB 3.29Å; Y244-S248 WeakPolarHBondContact O-CB 3.36Å; Y244-S248 PolarHBondContact O-N 3.35Å; Y244-S248 PolarHBondContact O-OG 3.05Å; F245-S248 WeakPolarHBondContact O-CB 3.3Å; F245-S248 PolarHBondContact O-N 2.93Å; L246-S248 VanDerWaalsContact C-N 3.33Å; S248-K250 VanDerWaalsContact C-N 3.27Å; S248-K250 PolarHBondContact O-N 3.16Å; S248-M251 WeakPolarHBondContact O-CB 3.33Å; S248-M251 PolarHBondContact O-N 3.02Å; S248-M251 VanDerWaalsContact O-N 3.12Å; S248-F252 WeakPolarHBondContact O-CD2 3.45Å; S248-F252 PolarHBondContact O-N 2.95Å
249A94.1Very high92.8Very high4 Ų438.3 Ų38.33%0.03319%0.189CC..Hα-helixtrans-57.8-42.3178.600000111.1F245 L246 F252 N253 C261 I264 F265F245-A249 WeakPolarHBondContact O-CB 3.24Å; F245-A249 PolarHBondContact O-N 2.82Å; L246-A249 PolarHBondContact O-N 3.43Å; A249-F252 PolarHBondContact O-N 2.97Å; A249-N253 WeakPolarHBondContact O-CB 3.44Å; A249-N253 PolarHBondContact O-N 3.28Å; A249-C261 PolarHBondContact O-SG 3.19Å; A249-I264 HydrophobicContact CB-CB 4.41Å; A249-I264 HydrophobicContact CB-CG2 3.99Å; A249-F265 HydrophobicContact CB-CB 4.29Å
250K92.1Very high92.6Very high16 Ų1639.6 Ų39.67%0.0720%0.201CC..Hα-helixtrans-60.9-45.8174.5-68.8170.8-171.41670112.1A136 L246 E247 S248 F252 N253 Y254A136-K250 HydrophobicContact CB-CB 4.21Å; L246-K250 WeakPolarHBondContact O-CG 3.38Å; L246-K250 PolarHBondContact O-N 3.15Å; L246-K250 VanDerWaalsContact O-N 3.11Å; E247-K250 PolarHBondContact O-N 3.49Å; E247-K250 IonicContact OE1-NZ 2.67Å; E247-K250 PolarHBondContact OE1-NZ 3.26Å; E247-K250 WeakPolarHBondContact OE2-CD 3.36Å; E247-K250 IonicContact OE2-NZ 3.92Å; E247-K250 PolarHBondContact OE2-NZ 2.93Å; S248-K250 VanDerWaalsContact C-N 3.27Å; S248-K250 PolarHBondContact O-N 3.16Å; K250-F252 PolarHBondContact O-N 3.33Å; K250-N253 WeakPolarHBondContact O-CB 3.29Å; K250-N253 PolarHBondContact O-N 2.94Å; K250-Y254 HydrophobicContact CB-CE2 3.91Å; K250-Y254 WeakPolarHBondContact O-CD2 3.35Å; K250-Y254 PolarHBondContact O-N 3.31Å
251M94.4Very high92.3Very high15 Ų1539.6 Ų39.67%0.07420%0.201CC..Hα-helixtrans-57.6-47.7178-71.2171.465.700111.7L64 F133 A136 S137 F140 E247 S248 N253 Y254 A255L64-M251 HydrophobicContact CD2-CE 3.81Å; F133-M251 HydrophobicContact CD2-CB 4.22Å; F133-M251 HydrophobicContact CD2-CG 4.37Å; F133-M251 HydrophobicContact CE1-CE 4.31Å; F133-M251 HydrophobicContact CE2-CB 3.74Å; F133-M251 HydrophobicContact CE2-CE 4.12Å; F133-M251 HydrophobicContact CE2-CG 4.05Å; F133-M251 HydrophobicContact CZ-CB 4.39Å; F133-M251 HydrophobicContact CZ-CE 3.63Å; F133-M251 HydrophobicContact CZ-CG 4.39Å; A136-M251 HydrophobicContact CB-CG 3.95Å; S137-M251 VanDerWaalsContact CA-SD 3.56Å; F140-M251 HydrophobicContact CB-SD 3.85Å; F140-M251 HydrophobicContact CD1-SD 4.08Å; F140-M251 HydrophobicContact CG-SD 4.02Å; E247-M251 WeakPolarHBondContact O-CG 3.14Å; E247-M251 PolarHBondContact O-N 3.07Å; S248-M251 WeakPolarHBondContact O-CB 3.33Å; S248-M251 PolarHBondContact O-N 3.02Å; S248-M251 VanDerWaalsContact O-N 3.12Å; M251-N253 VanDerWaalsContact C-N 3.35Å; M251-Y254 PolarHBondContact O-N 3.48Å; M251-A255 PolarHBondContact O-N 2.86Å
252F93.3Very high92Very high48 Ų4841.5 Ų41.521%0.21121%0.21CC..Hα-helixtrans-67.9-33.8177.8-72.3-65.8000112.9S248 A249 K250 A255 G256 W257 A260 C261 I264S248-F252 WeakPolarHBondContact O-CD2 3.45Å; S248-F252 PolarHBondContact O-N 2.95Å; A249-F252 PolarHBondContact O-N 2.97Å; K250-F252 PolarHBondContact O-N 3.33Å; F252-A255 PolarHBondContact O-N 3.26Å; F252-G256 PolarHBondContact O-N 3.27Å; F252-G256 VanDerWaalsContact O-N 3.15Å; F252-W257 HydrophobicContact CB-CB 4.31Å; F252-W257 HydrophobicContact CD1-CB 4.1Å; F252-W257 HydrophobicContact CD1-CD2 4.04Å; F252-W257 AromaticContact CD1-CE3 3.39Å; F252-W257 HydrophobicContact CD1-CE3 3.39Å; F252-W257 HydrophobicContact CD1-CG 4.39Å; F252-W257 HydrophobicContact CD1-CZ3 4.08Å; F252-W257 HydrophobicContact CE1-CD2 4.38Å; F252-W257 AromaticContact CE1-CE3 3.37Å; F252-W257 HydrophobicContact CE1-CE3 3.37Å; F252-W257 AromaticContact CE1-CZ3 3.57Å; F252-W257 HydrophobicContact CE1-CZ3 3.57Å; F252-W257 PolarHBondContact O-N 2.68Å; F252-A260 HydrophobicContact CD1-CB 4.28Å; F252-A260 HydrophobicContact CG-CB 4.28Å; F252-C261 HydrophobicContact CB-CB 3.99Å; F252-I264 HydrophobicContact CD2-CD1 3.29Å; F252-I264 HydrophobicContact CE2-CD1 3.34Å; F252-I264 HydrophobicContact CG-CD1 4.31Å; F252-I264 HydrophobicContact CZ-CD1 4.39Å
253N90.4Very high91.8Very high31 Ų3149.2 Ų49.217%0.16624%0.241CC..Hα-helixtrans-60.5-46.9172.2-167.524.8000111.2A249 K250 M251 A255 G256 V337A249-N253 WeakPolarHBondContact O-CB 3.44Å; A249-N253 PolarHBondContact O-N 3.28Å; K250-N253 WeakPolarHBondContact O-CB 3.29Å; K250-N253 PolarHBondContact O-N 2.94Å; M251-N253 VanDerWaalsContact C-N 3.35Å; N253-A255 VanDerWaalsContact C-N 3.29Å; N253-A255 PolarHBondContact O-N 3.48Å; N253-G256 PolarHBondContact O-N 3.5Å; N253-V337 VanDerWaalsContact CG-O 3.32Å; N253-V337 PolarHBondContact ND2-O 3.35Å; N253-V337 PolarHBondContact OD1-O 2.94Å; N253-V337 VanDerWaalsContact OD1-O 3.11Å
254Y90.1Very high91.8Very high17 Ų1749.3 Ų49.37%0.06724%0.241CC..Hα-helixtrans-68.2-28.3178.9-57.2-30000112.8L129 K132 F133 A136 R203 K250 M251 G256L129-Y254 HydrophobicContact CD1-CD1 3.58Å; L129-Y254 HydrophobicContact CD1-CE1 4.46Å; L129-Y254 HydrophobicContact CD1-CG 3.8Å; K132-Y254 HydrophobicContact CB-CD2 4.18Å; K132-Y254 HydrophobicContact CB-CE1 4.41Å; K132-Y254 HydrophobicContact CB-CE2 3.68Å; K132-Y254 HydrophobicContact CD-CE1 4.28Å; F133-Y254 HydrophobicContact CB-CD2 4.11Å; F133-Y254 HydrophobicContact CD2-CD2 4.49Å; A136-Y254 HydrophobicContact CB-CE2 4.21Å; R203-Y254 PolarHBondContact NH2-OH 3Å; K250-Y254 HydrophobicContact CB-CE2 3.91Å; K250-Y254 WeakPolarHBondContact O-CD2 3.35Å; K250-Y254 PolarHBondContact O-N 3.31Å; M251-Y254 PolarHBondContact O-N 3.48Å; Y254-G256 PolarHBondContact O-N 2.78Å
255A89.6Confident91.6Very high13 Ų1348.4 Ų48.411%0.10724%0.238CC..THydrogen-bonded Turntrans-77.2-6.517100000113.8L68 V70 M251 F252 N253 W257L68-A255 HydrophobicContact CB-CB 3.95Å; V70-A255 HydrophobicContact CG2-CB 4.13Å; M251-A255 PolarHBondContact O-N 2.86Å; F252-A255 PolarHBondContact O-N 3.26Å; N253-A255 VanDerWaalsContact C-N 3.29Å; N253-A255 PolarHBondContact O-N 3.48Å; A255-W257 VanDerWaalsContact C-N 3.3Å; A255-W257 HydrophobicContact CB-CG 4.36Å; A255-W257 PolarHBondContact O-N 3.46Å
256G87.3Confident91.5Very high48 Ų4850.5 Ų50.550%0.49525%0.25SS..THydrogen-bonded Turntrans76.711.2-177.200000114.6F252 N253 Y254 R258F252-G256 PolarHBondContact O-N 3.27Å; F252-G256 VanDerWaalsContact O-N 3.15Å; N253-G256 PolarHBondContact O-N 3.5Å; Y254-G256 PolarHBondContact O-N 2.78Å; G256-R258 PolarHBondContact O-N 3.26Å
257W88.9Confident91.5Very high125 Ų12550.9 Ų50.947%0.47325%0.254SS..  trans-85.476.1-178.9-68.515.2000110.8L68 F252 A255 N259 A260 C261L68-W257 HydrophobicContact CD2-CH2 3.43Å; L68-W257 VanDerWaalsContact CD2-CH2 3.43Å; L68-W257 HydrophobicContact CD2-CZ2 3.76Å; L68-W257 HydrophobicContact CD2-CZ3 3.99Å; F252-W257 HydrophobicContact CB-CB 4.31Å; F252-W257 HydrophobicContact CD1-CB 4.1Å; F252-W257 HydrophobicContact CD1-CD2 4.04Å; F252-W257 AromaticContact CD1-CE3 3.39Å; F252-W257 HydrophobicContact CD1-CE3 3.39Å; F252-W257 HydrophobicContact CD1-CG 4.39Å; F252-W257 HydrophobicContact CD1-CZ3 4.08Å; F252-W257 HydrophobicContact CE1-CD2 4.38Å; F252-W257 AromaticContact CE1-CE3 3.37Å; F252-W257 HydrophobicContact CE1-CE3 3.37Å; F252-W257 AromaticContact CE1-CZ3 3.57Å; F252-W257 HydrophobicContact CE1-CZ3 3.57Å; F252-W257 PolarHBondContact O-N 2.68Å; A255-W257 VanDerWaalsContact C-N 3.3Å; A255-W257 HydrophobicContact CB-CG 4.36Å; A255-W257 PolarHBondContact O-N 3.46Å; W257-N259 PolarHBondContact O-N 3.37Å; W257-A260 HydrophobicContact CB-CB 4.32Å; W257-A260 PolarHBondContact O-N 2.96Å; W257-C261 WeakPolarHBondContact O-CB 3.49Å; W257-C261 PolarHBondContact O-N 2.98Å
258R83.6Confident91.6Very high167 Ų16750.6 Ų50.663%0.6325%0.252SS*.Hα-helixtrans-57.5-51.4-170-60.5-179.4-173.5169.81.1113.5G256 A260 C261 N262G256-R258 PolarHBondContact O-N 3.26Å; R258-A260 VanDerWaalsContact C-N 3.34Å; R258-A260 PolarHBondContact O-N 3.42Å; R258-C261 WeakPolarHBondContact O-CB 3.41Å; R258-C261 PolarHBondContact O-N 3.41Å; R258-N262 WeakPolarHBondContact O-CB 3.5Å; R258-N262 PolarHBondContact O-N 3.26Å; R258-N262 PolarHBondContact O-OD1 3.28Å
259N87Confident91.6Very high140 Ų14050.6 Ų50.675%0.74925%0.253SS*.Hα-helixtrans-62.3-42.8-175.9-65-8.9000111.9W257 N262 Y263W257-N259 PolarHBondContact O-N 3.37Å; N259-N262 PolarHBondContact O-N 3.23Å; N259-Y263 WeakPolarHBondContact O-CB 3.35Å; N259-Y263 PolarHBondContact O-N 2.99Å
260A90.8Very high91.7Very high35 Ų3553.1 Ų53.129%0.28927%0.274SS..Hα-helixtrans-64.6-47176.500000111.3F252 W257 R258 N262 Y263 I264F252-A260 HydrophobicContact CD1-CB 4.28Å; F252-A260 HydrophobicContact CG-CB 4.28Å; W257-A260 HydrophobicContact CB-CB 4.32Å; W257-A260 PolarHBondContact O-N 2.96Å; R258-A260 VanDerWaalsContact C-N 3.34Å; R258-A260 PolarHBondContact O-N 3.42Å; A260-N262 PolarHBondContact O-N 3.06Å; A260-Y263 PolarHBondContact O-N 2.86Å; A260-I264 WeakPolarHBondContact O-CB 3.4Å; A260-I264 WeakPolarHBondContact O-CD1 3.41Å; A260-I264 WeakPolarHBondContact O-CG1 3.39Å; A260-I264 PolarHBondContact O-N 2.85Å
261C90.4Very high92Very high0 Ų054.1 Ų54.10%028%0.281CS..Hα-helixtrans-55.5-48.9175.11760000111.9A249 F252 W257 R258 I264 F265A249-C261 PolarHBondContact O-SG 3.19Å; F252-C261 HydrophobicContact CB-CB 3.99Å; W257-C261 WeakPolarHBondContact O-CB 3.49Å; W257-C261 PolarHBondContact O-N 2.98Å; R258-C261 WeakPolarHBondContact O-CB 3.41Å; R258-C261 PolarHBondContact O-N 3.41Å; C261-I264 PolarHBondContact O-N 3.09Å; C261-F265 VanDerWaalsContact O-CB 3.25Å; C261-F265 WeakPolarHBondContact O-CB 3.3Å; C261-F265 PolarHBondContact O-N 2.85Å
262N88.7Confident92.1Very high50 Ų5054 Ų5427%0.26728%0.28SS..Hα-helixtrans-61.5-47.9-178.7-66.49.9000111.2R258 N259 A260 F265 I266 V337R258-N262 WeakPolarHBondContact O-CB 3.5Å; R258-N262 PolarHBondContact O-N 3.26Å; R258-N262 PolarHBondContact O-OD1 3.28Å; N259-N262 PolarHBondContact O-N 3.23Å; A260-N262 PolarHBondContact O-N 3.06Å; N262-F265 PolarHBondContact O-N 2.85Å; N262-I266 WeakPolarHBondContact O-CG1 3.49Å; N262-I266 PolarHBondContact O-N 3.38Å; N262-V337 WeakPolarHBondContact OD1-CG2 3.15Å
263Y91.6Very high92.3Very high162 Ų16253.8 Ų53.864%0.63528%0.281SS*.Hα-helixtrans-60.7-49.2178.9177.9-98000111.5N259 A260 F265 I266 V267N259-Y263 WeakPolarHBondContact O-CB 3.35Å; N259-Y263 PolarHBondContact O-N 2.99Å; A260-Y263 PolarHBondContact O-N 2.86Å; Y263-F265 VanDerWaalsContact C-N 3.29Å; Y263-F265 PolarHBondContact O-N 3.34Å; Y263-I266 PolarHBondContact O-N 2.99Å; Y263-V267 HydrophobicContact CD1-CG2 4.39Å; Y263-V267 HydrophobicContact CE1-CG2 3.96Å; Y263-V267 WeakPolarHBondContact O-CG2 3.3Å; Y263-V267 PolarHBondContact O-N 2.84Å
264I94.8Very high92.7Very high28 Ų2856.1 Ų56.114%0.14430%0.296CS..Hα-helixtrans-63.7-37.3179.3-65.4166.2000110.8F245 A249 F252 A260 C261 I266 V267 F268F245-I264 HydrophobicContact CB-CG2 4.36Å; F245-I264 HydrophobicContact CD1-CG2 4.43Å; F245-I264 VanDerWaalsContact O-CG2 3.31Å; F245-I264 WeakPolarHBondContact O-CG2 3.41Å; A249-I264 HydrophobicContact CB-CB 4.41Å; A249-I264 HydrophobicContact CB-CG2 3.99Å; F252-I264 HydrophobicContact CD2-CD1 3.29Å; F252-I264 HydrophobicContact CE2-CD1 3.34Å; F252-I264 HydrophobicContact CG-CD1 4.31Å; F252-I264 HydrophobicContact CZ-CD1 4.39Å; A260-I264 WeakPolarHBondContact O-CB 3.4Å; A260-I264 WeakPolarHBondContact O-CD1 3.41Å; A260-I264 WeakPolarHBondContact O-CG1 3.39Å; A260-I264 PolarHBondContact O-N 2.85Å; C261-I264 PolarHBondContact O-N 3.09Å; I264-I266 PolarHBondContact O-N 3.25Å; I264-V267 PolarHBondContact O-N 3.46Å; I264-F268 WeakPolarHBondContact O-CB 3.48Å; I264-F268 PolarHBondContact O-N 3.47Å
265F93.7Very high93Very high13 Ų1356.4 Ų56.46%0.05730%0.3CS..Hα-helixtrans-64.3-38.6176.3-176.5-94.1000112.3A249 C261 N262 Y263 F268 A269 I323 I326 A327 F330A249-F265 HydrophobicContact CB-CB 4.29Å; C261-F265 VanDerWaalsContact O-CB 3.25Å; C261-F265 WeakPolarHBondContact O-CB 3.3Å; C261-F265 PolarHBondContact O-N 2.85Å; N262-F265 PolarHBondContact O-N 2.85Å; Y263-F265 VanDerWaalsContact C-N 3.29Å; Y263-F265 PolarHBondContact O-N 3.34Å; F265-F268 AromaticContact CD2-CD1 3.97Å; F265-F268 HydrophobicContact CD2-CD1 3.97Å; F265-F268 AromaticContact CE2-CD1 3.97Å; F265-F268 HydrophobicContact CE2-CD1 3.97Å; F265-F268 HydrophobicContact CE2-CE1 4.08Å; F265-F268 WeakPolarHBondContact O-CB 3.01Å; F265-F268 PolarHBondContact O-N 3.49Å; F265-A269 WeakPolarHBondContact O-CB 3.49Å; F265-A269 PolarHBondContact O-N 3.01Å; F265-I323 HydrophobicContact CZ-CG2 4.12Å; F265-I326 HydrophobicContact CE1-CB 4.31Å; F265-I326 HydrophobicContact CE1-CG2 3.69Å; F265-I326 HydrophobicContact CE2-CG2 4.25Å; F265-I326 HydrophobicContact CZ-CB 3.97Å; F265-I326 HydrophobicContact CZ-CG2 3.46Å; F265-I326 VanDerWaalsContact CZ-CG2 3.46Å; F265-A327 HydrophobicContact CE1-CB 4.24Å; F265-F330 HydrophobicContact CD1-CD2 4.07Å; F265-F330 AromaticContact CD1-CE2 3.74Å; F265-F330 HydrophobicContact CD1-CE2 3.74Å; F265-F330 HydrophobicContact CE1-CD2 4.21Å; F265-F330 AromaticContact CE1-CE2 3.78Å; F265-F330 HydrophobicContact CE1-CE2 3.78Å; F265-F330 HydrophobicContact CG-CE2 4.39Å; F265-F330 HydrophobicContact CZ-CE2 4.46Å
266I93.7Very high93.4Very high93 Ų9356 Ų5648%0.47730%0.295SS..Hα-helixtrans-65.5-44.2175.1-67.7166.3000110.5N262 Y263 I264 A269 A270N262-I266 WeakPolarHBondContact O-CG1 3.49Å; N262-I266 PolarHBondContact O-N 3.38Å; Y263-I266 PolarHBondContact O-N 2.99Å; I264-I266 PolarHBondContact O-N 3.25Å; I266-A269 PolarHBondContact O-N 2.86Å; I266-A270 PolarHBondContact O-N 3.27Å
267V95.8Very high93.9Very high40 Ų4055.7 Ų55.724%0.24228%0.282CS..Hα-helixtrans-60.7-47.3175.2174.70000110.5F245 Y263 I264 A269 A270 V271F245-V267 HydrophobicContact CD1-CG1 4.09Å; F245-V267 HydrophobicContact CE1-CG1 3.86Å; F245-V267 HydrophobicContact CE2-CG1 4.45Å; F245-V267 HydrophobicContact CG-CG1 4.48Å; F245-V267 HydrophobicContact CZ-CG1 4.05Å; Y263-V267 HydrophobicContact CD1-CG2 4.39Å; Y263-V267 HydrophobicContact CE1-CG2 3.96Å; Y263-V267 WeakPolarHBondContact O-CG2 3.3Å; Y263-V267 PolarHBondContact O-N 2.84Å; I264-V267 PolarHBondContact O-N 3.46Å; V267-A269 VanDerWaalsContact C-N 3.34Å; V267-A269 PolarHBondContact O-N 2.85Å; V267-A270 PolarHBondContact O-N 2.93Å; V267-V271 HydrophobicContact CG1-CG2 4.33Å; V267-V271 WeakPolarHBondContact O-CG2 3.33Å; V267-V271 PolarHBondContact O-N 3.07Å
268F96.8Very high94.2Very high4 Ų453.3 Ų53.32%0.01828%0.278CS..Hα-helixtrans-52.6-51.3173158.6-109.8000111.5S242 F245 L246 I264 F265 A270 V271 F272 I323S242-F268 WeakPolarHBondContact O-CD2 3.32Å; F245-F268 HydrophobicContact CB-CB 3.68Å; F245-F268 HydrophobicContact CB-CD2 4.43Å; L246-F268 HydrophobicContact CB-CD2 3.69Å; L246-F268 HydrophobicContact CB-CE1 4.48Å; L246-F268 HydrophobicContact CB-CE2 3.61Å; L246-F268 HydrophobicContact CB-CG 4.17Å; L246-F268 HydrophobicContact CB-CZ 4.03Å; L246-F268 HydrophobicContact CD1-CD1 4.14Å; L246-F268 HydrophobicContact CD1-CE1 3.75Å; L246-F268 HydrophobicContact CD1-CE2 4.33Å; L246-F268 HydrophobicContact CD1-CZ 3.85Å; L246-F268 HydrophobicContact CD2-CE2 4.23Å; L246-F268 HydrophobicContact CD2-CZ 4.05Å; L246-F268 HydrophobicContact CG-CE2 4.26Å; L246-F268 HydrophobicContact CG-CZ 4.18Å; I264-F268 WeakPolarHBondContact O-CB 3.48Å; I264-F268 PolarHBondContact O-N 3.47Å; F265-F268 AromaticContact CD2-CD1 3.97Å; F265-F268 HydrophobicContact CD2-CD1 3.97Å; F265-F268 AromaticContact CE2-CD1 3.97Å; F265-F268 HydrophobicContact CE2-CD1 3.97Å; F265-F268 HydrophobicContact CE2-CE1 4.08Å; F265-F268 WeakPolarHBondContact O-CB 3.01Å; F265-F268 PolarHBondContact O-N 3.49Å; F268-A270 VanDerWaalsContact C-N 3.34Å; F268-A270 PolarHBondContact O-N 3.13Å; F268-V271 PolarHBondContact O-N 3.48Å; F268-F272 HydrophobicContact CD2-CB 4.44Å; F268-F272 HydrophobicContact CE2-CB 4.02Å; F268-F272 AromaticContact CE2-CD2 3.91Å; F268-F272 HydrophobicContact CE2-CD2 3.91Å; F268-F272 HydrophobicContact CE2-CG 4.29Å; F268-F272 HydrophobicContact CZ-CB 4.32Å; F268-F272 HydrophobicContact CZ-CD2 4.06Å; F268-F272 HydrophobicContact CZ-CG 4.32Å; F268-F272 VanDerWaalsContact O-CB 3.22Å; F268-F272 WeakPolarHBondContact O-CB 3.49Å; F268-F272 PolarHBondContact O-N 3.09Å; F268-I323 HydrophobicContact CE1-CD1 3.69Å; F268-I323 HydrophobicContact CE1-CG1 3.88Å; F268-I323 HydrophobicContact CE1-CG2 4.2Å; F268-I323 HydrophobicContact CZ-CD1 3.55Å; F268-I323 HydrophobicContact CZ-CG1 4.21Å
269A96.1Very high94.8Very high14 Ų1448.4 Ų48.412%0.11626%0.261CS..Hα-helixtrans-60.9-44.2-178.300000111.3F265 I266 V267 F272 I273 I323F265-A269 WeakPolarHBondContact O-CB 3.49Å; F265-A269 PolarHBondContact O-N 3.01Å; I266-A269 PolarHBondContact O-N 2.86Å; V267-A269 VanDerWaalsContact C-N 3.34Å; V267-A269 PolarHBondContact O-N 2.85Å; A269-F272 PolarHBondContact O-N 3.46Å; A269-I273 WeakPolarHBondContact O-CG1 3.18Å; A269-I273 PolarHBondContact O-N 3.36Å; A269-I323 HydrophobicContact CB-CG2 3.51Å
270A96.8Very high95.3Very high56 Ų5641.8 Ų41.846%0.46323%0.226SC..Hα-helixtrans-61.7-49.9177.300000111.7I266 V267 F268 F272 I273 V274I266-A270 PolarHBondContact O-N 3.27Å; V267-A270 PolarHBondContact O-N 2.93Å; F268-A270 VanDerWaalsContact C-N 3.34Å; F268-A270 PolarHBondContact O-N 3.13Å; A270-F272 PolarHBondContact O-N 3.41Å; A270-I273 PolarHBondContact O-N 3.36Å; A270-V274 WeakPolarHBondContact O-CG2 3.46Å; A270-V274 PolarHBondContact O-N 2.94Å
271V97.8Very high95.5Very high38 Ų3841.3 Ų41.323%0.2322%0.22CC..Hα-helixtrans-61.2-47.1178.6176.20000110.4F245 V267 F268 I273 V274 T275F245-V271 HydrophobicContact CD2-CG2 4.45Å; F245-V271 HydrophobicContact CE2-CG2 4.09Å; V267-V271 HydrophobicContact CG1-CG2 4.33Å; V267-V271 WeakPolarHBondContact O-CG2 3.33Å; V267-V271 PolarHBondContact O-N 3.07Å; F268-V271 PolarHBondContact O-N 3.48Å; V271-I273 PolarHBondContact O-N 3.2Å; V271-V274 PolarHBondContact O-N 3.27Å; V271-T275 HydrophobicContact CG1-CG2 4.06Å; V271-T275 WeakPolarHBondContact O-CB 3.5Å; V271-T275 VanDerWaalsContact O-CG2 3.32Å; V271-T275 WeakPolarHBondContact O-CG2 3.35Å; V271-T275 PolarHBondContact O-N 2.8Å; V271-T275 PolarHBondContact O-OG1 3.38Å
272F97.9Very high95.7Very high11 Ų1147.9 Ų47.95%0.04825%0.249CC..Hα-helixtrans-57.3-46.6178.1-176.1-84.2000111.9F268 A269 A270 R276 H316 W319 A320 I323F268-F272 HydrophobicContact CD2-CB 4.44Å; F268-F272 HydrophobicContact CE2-CB 4.02Å; F268-F272 AromaticContact CE2-CD2 3.91Å; F268-F272 HydrophobicContact CE2-CD2 3.91Å; F268-F272 HydrophobicContact CE2-CG 4.29Å; F268-F272 HydrophobicContact CZ-CB 4.32Å; F268-F272 HydrophobicContact CZ-CD2 4.06Å; F268-F272 HydrophobicContact CZ-CG 4.32Å; F268-F272 VanDerWaalsContact O-CB 3.22Å; F268-F272 WeakPolarHBondContact O-CB 3.49Å; F268-F272 PolarHBondContact O-N 3.09Å; A269-F272 PolarHBondContact O-N 3.46Å; A270-F272 PolarHBondContact O-N 3.41Å; F272-R276 HydrophobicContact CD1-CB 4.33Å; F272-R276 HydrophobicContact CD1-CG 4.06Å; F272-R276 HydrophobicContact CD2-CG 3.81Å; F272-R276 HydrophobicContact CE1-CB 4.16Å; F272-R276 HydrophobicContact CE1-CG 4Å; F272-R276 HydrophobicContact CE2-CG 3.76Å; F272-R276 HydrophobicContact CG-CG 3.97Å; F272-R276 HydrophobicContact CZ-CB 4.37Å; F272-R276 HydrophobicContact CZ-CG 3.85Å; F272-R276 WeakPolarHBondContact O-CA 3.47Å; F272-R276 WeakPolarHBondContact O-CB 3.33Å; F272-R276 WeakPolarHBondContact O-CG 3.34Å; F272-R276 PolarHBondContact O-N 2.92Å; F272-H316 HydrophobicContact CZ-CB 4.45Å; F272-W319 HydrophobicContact CZ-CB 4.06Å; F272-A320 HydrophobicContact CE1-CB 4.08Å; F272-I323 HydrophobicContact CD1-CD1 3.65Å; F272-I323 HydrophobicContact CD2-CD1 4.14Å; F272-I323 HydrophobicContact CE1-CD1 3.74Å; F272-I323 HydrophobicContact CE2-CD1 4.2Å; F272-I323 HydrophobicContact CG-CD1 3.87Å; F272-I323 HydrophobicContact CZ-CD1 4.01Å
273I97.4Very high95.9Very high45 Ų4550.9 Ų50.923%0.23126%0.257CS..Hα-helixtrans-64.8-44.7-179.9-66.2-67000110.9A269 A270 V271 L277 I278 A320 I324A269-I273 WeakPolarHBondContact O-CG1 3.18Å; A269-I273 PolarHBondContact O-N 3.36Å; A270-I273 PolarHBondContact O-N 3.36Å; V271-I273 PolarHBondContact O-N 3.2Å; I273-L277 HydrophobicContact CD1-CD1 3.74Å; I273-L277 HydrophobicContact CD1-CG 4.26Å; I273-L277 WeakPolarHBondContact O-CA 3.3Å; I273-L277 WeakPolarHBondContact O-CB 3.25Å; I273-L277 PolarHBondContact O-N 2.86Å; I273-I278 PolarHBondContact O-N 2.94Å; I273-A320 HydrophobicContact CD1-CB 3.83Å; I273-I324 HydrophobicContact CD1-CD1 4.19Å
274V97.6Very high96.1Very high80 Ų8043.2 Ų43.249%0.48523%0.226SC..Iπ-helixtrans-63.4-47.4178.8172.50000111.4A270 V271 I278 F279A270-V274 WeakPolarHBondContact O-CG2 3.46Å; A270-V274 PolarHBondContact O-N 2.94Å; V271-V274 PolarHBondContact O-N 3.27Å; V274-I278 HydrophobicContact CG2-CD1 4.38Å; V274-I278 WeakPolarHBondContact O-CB 3.21Å; V274-I278 PolarHBondContact O-N 3.33Å; V274-F279 PolarHBondContact O-N 3.16Å
275T97.3Very high96.1Very high22 Ų2242.5 Ų42.514%0.13522%0.223CC..Iπ-helixtrans-78-38.9-173.562.20000111.5V238 S241 V271 F280V238-T275 VanDerWaalsContact CG1-O 3.32Å; V238-T275 WeakPolarHBondContact CG1-O 3.49Å; S241-T275 WeakPolarHBondContact OG-CB 3.33Å; S241-T275 VanDerWaalsContact OG-CG2 3.29Å; S241-T275 WeakPolarHBondContact OG-CG2 3.4Å; S241-T275 PolarHBondContact OG-OG1 3.36Å; V271-T275 HydrophobicContact CG1-CG2 4.06Å; V271-T275 WeakPolarHBondContact O-CB 3.5Å; V271-T275 VanDerWaalsContact O-CG2 3.32Å; V271-T275 WeakPolarHBondContact O-CG2 3.35Å; V271-T275 PolarHBondContact O-N 2.8Å; V271-T275 PolarHBondContact O-OG1 3.38Å; T275-F280 VanDerWaalsContact O-CB 3.29Å; T275-F280 WeakPolarHBondContact O-CB 3.29Å; T275-F280 PolarHBondContact O-N 3.25Å
276R97.6Very high96.1Very high4 Ų447.8 Ų47.82%0.01524%0.243CC..Iπ-helixtrans-90.5-35.7-175.5-56.8-55.6-167.4-154.42.8116.3V238 H239 D243 F272 P281 Q313 H316V238-R276 PolarHBondContact O-NH1 3.2Å; H239-R276 VanDerWaalsContact C-NH2 3.27Å; H239-R276 VanDerWaalsContact CA-NH2 3.3Å; H239-R276 VanDerWaalsContact CB-CZ 3.44Å; H239-R276 PolarHBondContact CD2-NH1 3.41Å; H239-R276 PolarHBondContact CD2-NH2 3.29Å; H239-R276 PolarHBondContact CE1-NH1 2.79Å; H239-R276 PolarHBondContact ND1-NH1 3.03Å; H239-R276 PolarHBondContact NE2-NH1 2.74Å; H239-R276 PolarHBondContact O-NH2 3.16Å; D243-R276 IonicContact OD1-NH2 3.87Å; F272-R276 HydrophobicContact CD1-CB 4.33Å; F272-R276 HydrophobicContact CD1-CG 4.06Å; F272-R276 HydrophobicContact CD2-CG 3.81Å; F272-R276 HydrophobicContact CE1-CB 4.16Å; F272-R276 HydrophobicContact CE1-CG 4Å; F272-R276 HydrophobicContact CE2-CG 3.76Å; F272-R276 HydrophobicContact CG-CG 3.97Å; F272-R276 HydrophobicContact CZ-CB 4.37Å; F272-R276 HydrophobicContact CZ-CG 3.85Å; F272-R276 WeakPolarHBondContact O-CA 3.47Å; F272-R276 WeakPolarHBondContact O-CB 3.33Å; F272-R276 WeakPolarHBondContact O-CG 3.34Å; F272-R276 PolarHBondContact O-N 2.92Å; R276-P281 VanDerWaalsContact O-CD 3.26Å; R276-P281 WeakPolarHBondContact O-CD 3.41Å; R276-Q313 PolarHBondContact O-NE2 3.36Å; R276-Q313 PolarHBondContact O-OE1 3.04Å; R276-H316 HydrophobicContact CB-CB 4.09Å
277L97.1Very high96Very high43 Ų4346.2 Ų46.223%0.22523%0.231CC..Iπ-helixtrans-107.1-13.3-174.1-59.5-161.8000112.9I273 P281 H316 I317 A320I273-L277 HydrophobicContact CD1-CD1 3.74Å; I273-L277 HydrophobicContact CD1-CG 4.26Å; I273-L277 WeakPolarHBondContact O-CA 3.3Å; I273-L277 WeakPolarHBondContact O-CB 3.25Å; I273-L277 PolarHBondContact O-N 2.86Å; L277-P281 VanDerWaalsContact C-CG 3.48Å; L277-P281 WeakPolarHBondContact O-CG 3.26Å; L277-H316 HydrophobicContact CD2-CB 4.16Å; L277-I317 HydrophobicContact CD2-CG1 3.98Å; L277-A320 HydrophobicContact CD1-CB 3.62Å; L277-A320 HydrophobicContact CG-CB 4.32Å
278I96.2Very high95.8Very high74 Ų7444.3 Ų44.338%0.37922%0.22SC..Iπ-helixtrans-110.2-68.2175-59.5164.8000109.9I273 V274 P281 F282 W283I273-I278 PolarHBondContact O-N 2.94Å; V274-I278 HydrophobicContact CG2-CD1 4.38Å; V274-I278 WeakPolarHBondContact O-CB 3.21Å; V274-I278 PolarHBondContact O-N 3.33Å; I278-P281 WeakPolarHBondContact O-CD 3.37Å; I278-F282 HydrophobicContact CG2-CD2 4.44Å; I278-F282 WeakPolarHBondContact O-CB 3.39Å; I278-F282 VanDerWaalsContact O-CD2 3.22Å; I278-F282 WeakPolarHBondContact O-CD2 3Å; I278-F282 PolarHBondContact O-N 3.24Å; I278-F282 VanDerWaalsContact O-N 3.13Å; I278-W283 HydrophobicContact CG2-CH2 4.38Å; I278-W283 HydrophobicContact CG2-CZ3 3.68Å
279F96.1Very high95.5Very high65 Ų6549.9 Ų49.929%0.28524%0.241SC..Iπ-helixtrans-65-48.5-172.7-168.5-97.3000112.8V238 V274 W283 I284V238-F279 HydrophobicContact CG1-CD1 4.3Å; V238-F279 HydrophobicContact CG2-CD1 3.48Å; V238-F279 VanDerWaalsContact CG2-CD1 3.48Å; V238-F279 HydrophobicContact CG2-CE1 3.57Å; V274-F279 PolarHBondContact O-N 3.16Å; F279-W283 HydrophobicContact CD2-CB 4.12Å; F279-W283 HydrophobicContact CD2-CD2 4.1Å; F279-W283 HydrophobicContact CD2-CE3 4.29Å; F279-W283 HydrophobicContact CD2-CG 4.04Å; F279-W283 HydrophobicContact CE2-CB 4.02Å; F279-W283 HydrophobicContact CE2-CD2 4.4Å; F279-W283 AromaticContact CE2-CG 3.95Å; F279-W283 HydrophobicContact CE2-CG 3.95Å; F279-W283 HydrophobicContact CG-CB 4.48Å; F279-W283 HydrophobicContact CZ-CB 4.28Å; F279-W283 WeakPolarHBondContact O-CA 3.2Å; F279-W283 VanDerWaalsContact O-CB 3.31Å; F279-W283 WeakPolarHBondContact O-CB 3.37Å; F279-W283 PolarHBondContact O-N 3.08Å; F279-I284 HydrophobicContact CD1-CD1 4.14Å; F279-I284 HydrophobicContact CD1-CG1 4.3Å; F279-I284 HydrophobicContact CE1-CD1 3.92Å; F279-I284 HydrophobicContact CE1-CG1 3.99Å; F279-I284 PolarHBondContact O-N 3.03Å
280F96.7Very high95.1Very high0 Ų051.9 Ų51.90%025%0.251CS..Iπ-helixtrans-59.1-50.6-178.6-176.2-124.6000114I235 V238 H239 T275 I284 I285 L309 L312 Q313 H316I235-F280 HydrophobicContact CG1-CE2 4.32Å; I235-F280 HydrophobicContact CG2-CE2 4.4Å; V238-F280 HydrophobicContact CG1-CB 4.28Å; H239-F280 AromaticContact CE1-CD2 3.78Å; H239-F280 AromaticContact CE1-CE2 3.62Å; H239-F280 AromaticContact CE1-CZ 3.91Å; T275-F280 VanDerWaalsContact O-CB 3.29Å; T275-F280 WeakPolarHBondContact O-CB 3.29Å; T275-F280 PolarHBondContact O-N 3.25Å; F280-I284 HydrophobicContact CD2-CB 4.03Å; F280-I284 HydrophobicContact CD2-CD1 4.09Å; F280-I284 HydrophobicContact CD2-CG2 4.13Å; F280-I284 HydrophobicContact CE2-CG2 4.15Å; F280-I284 WeakPolarHBondContact O-CB 3.43Å; F280-I284 PolarHBondContact O-N 3.09Å; F280-I285 HydrophobicContact CD1-CD1 4.1Å; F280-I285 HydrophobicContact CE1-CD1 3.73Å; F280-I285 HydrophobicContact CE1-CG1 4.39Å; F280-I285 HydrophobicContact CE2-CG1 4.32Å; F280-I285 HydrophobicContact CZ-CD1 3.97Å; F280-I285 HydrophobicContact CZ-CG1 4.19Å; F280-I285 PolarHBondContact O-N 3.19Å; F280-L309 HydrophobicContact CE2-CD2 4.06Å; F280-L309 HydrophobicContact CZ-CB 4.32Å; F280-L309 HydrophobicContact CZ-CD2 3.9Å; F280-L312 HydrophobicContact CE1-CB 4.28Å; F280-L312 HydrophobicContact CZ-CB 4.37Å; F280-Q313 HydrophobicContact CE1-CB 4.31Å; F280-H316 AromaticContact CD1-ND1 3.81Å; F280-H316 AromaticContact CE1-CE1 3.94Å; F280-H316 AromaticContact CE1-ND1 3.83Å
281P96.3Very high94.6Very high26 Ų2651.1 Ų51.117%0.16924%0.237CC..Iπ-helixtrans-75.1-43.9179.925.9-34000114.1R276 L277 I278 Y286R276-P281 VanDerWaalsContact O-CD 3.26Å; R276-P281 WeakPolarHBondContact O-CD 3.41Å; L277-P281 VanDerWaalsContact C-CG 3.48Å; L277-P281 WeakPolarHBondContact O-CG 3.26Å; I278-P281 WeakPolarHBondContact O-CD 3.37Å; P281-Y286 PolarHBondContact O-N 2.89Å; P281-Y286 VanDerWaalsContact O-N 3.11Å
282F94.4Very high94.1Very high137 Ų13750.1 Ų50.160%0.60123%0.231SC*.Iπ-helixtrans-86.4-21.7-170.7-61.9-70.8000113.9I278 Y286I278-F282 HydrophobicContact CG2-CD2 4.44Å; I278-F282 WeakPolarHBondContact O-CB 3.39Å; I278-F282 VanDerWaalsContact O-CD2 3.22Å; I278-F282 WeakPolarHBondContact O-CD2 3Å; I278-F282 PolarHBondContact O-N 3.24Å; I278-F282 VanDerWaalsContact O-N 3.13Å; F282-Y286 WeakPolarHBondContact O-CB 3.43Å
283W93.4Very high93.6Very high114 Ų11452.5 Ų52.543%0.43225%0.246SC..Iπ-helixtrans-106.1-61.7173.8-76.6-103.2000110.8T163 I278 F279 W287T163-W283 HydrophobicContact CG2-CB 4.26Å; I278-W283 HydrophobicContact CG2-CH2 4.38Å; I278-W283 HydrophobicContact CG2-CZ3 3.68Å; F279-W283 HydrophobicContact CD2-CB 4.12Å; F279-W283 HydrophobicContact CD2-CD2 4.1Å; F279-W283 HydrophobicContact CD2-CE3 4.29Å; F279-W283 HydrophobicContact CD2-CG 4.04Å; F279-W283 HydrophobicContact CE2-CB 4.02Å; F279-W283 HydrophobicContact CE2-CD2 4.4Å; F279-W283 AromaticContact CE2-CG 3.95Å; F279-W283 HydrophobicContact CE2-CG 3.95Å; F279-W283 HydrophobicContact CG-CB 4.48Å; F279-W283 HydrophobicContact CZ-CB 4.28Å; F279-W283 WeakPolarHBondContact O-CA 3.2Å; F279-W283 VanDerWaalsContact O-CB 3.31Å; F279-W283 WeakPolarHBondContact O-CB 3.37Å; F279-W283 PolarHBondContact O-N 3.08Å; W283-W287 WeakPolarHBondContact O-CB 3.42Å; W283-W287 PolarHBondContact O-N 3.36Å; W283-W287 VanDerWaalsContact O-N 3.07Å
284I94.4Very high93.1Very high0 Ų055.1 Ų55.10%026%0.264CS..Iπ-helixtrans-66.8-63.6-173.9-63.9177.3000110.6L234 I235 V238 F279 F280 Y286 W287 T288L234-I284 HydrophobicContact CB-CD1 4.36Å; I235-I284 HydrophobicContact CD1-CG2 4.2Å; I235-I284 HydrophobicContact CG1-CD1 4.29Å; I235-I284 HydrophobicContact CG1-CG2 3.71Å; V238-I284 HydrophobicContact CB-CD1 4.28Å; V238-I284 HydrophobicContact CG2-CD1 3.8Å; F279-I284 HydrophobicContact CD1-CD1 4.14Å; F279-I284 HydrophobicContact CD1-CG1 4.3Å; F279-I284 HydrophobicContact CE1-CD1 3.92Å; F279-I284 HydrophobicContact CE1-CG1 3.99Å; F279-I284 PolarHBondContact O-N 3.03Å; F280-I284 HydrophobicContact CD2-CB 4.03Å; F280-I284 HydrophobicContact CD2-CD1 4.09Å; F280-I284 HydrophobicContact CD2-CG2 4.13Å; F280-I284 HydrophobicContact CE2-CG2 4.15Å; F280-I284 WeakPolarHBondContact O-CB 3.43Å; F280-I284 PolarHBondContact O-N 3.09Å; I284-Y286 VanDerWaalsContact C-N 3.31Å; I284-Y286 PolarHBondContact O-N 2.79Å; I284-W287 PolarHBondContact O-N 2.86Å; I284-W287 VanDerWaalsContact O-N 3.1Å; I284-T288 HydrophobicContact CG2-CG2 4.3Å; I284-T288 WeakPolarHBondContact O-CG2 3.42Å; I284-T288 PolarHBondContact O-N 2.91Å; I284-T288 PolarHBondContact O-OG1 2.81Å
285I94.9Very high92.4Very high14 Ų1455 Ų557%0.07226%0.261CS..Iπ-helixtrans-60.2-41.7-175.8-66.7174.1000111.3F280 W287 T288 W289 L309 M310 Q313F280-I285 HydrophobicContact CD1-CD1 4.1Å; F280-I285 HydrophobicContact CE1-CD1 3.73Å; F280-I285 HydrophobicContact CE1-CG1 4.39Å; F280-I285 HydrophobicContact CE2-CG1 4.32Å; F280-I285 HydrophobicContact CZ-CD1 3.97Å; F280-I285 HydrophobicContact CZ-CG1 4.19Å; F280-I285 PolarHBondContact O-N 3.19Å; I285-W287 VanDerWaalsContact C-N 3.35Å; I285-W287 PolarHBondContact O-N 3.43Å; I285-T288 WeakPolarHBondContact CA-OG1 3.25Å; I285-T288 PolarHBondContact O-N 3.48Å; I285-T288 PolarHBondContact O-OG1 3.09Å; I285-W289 WeakPolarHBondContact O-CB 3.37Å; I285-W289 PolarHBondContact O-N 3.38Å; I285-L309 HydrophobicContact CD1-CB 4.36Å; I285-L309 HydrophobicContact CG1-CB 4.2Å; I285-L309 HydrophobicContact CG1-CD1 4.42Å; I285-M310 HydrophobicContact CD1-SD 4.31Å; I285-M310 HydrophobicContact CG2-SD 4.17Å; I285-Q313 HydrophobicContact CD1-CB 4.02Å; I285-Q313 HydrophobicContact CD1-CG 4.35Å
286Y93.5Very high91.8Very high124 Ų12457 Ų5749%0.48627%0.266SS..Hα-helixtrans-55.3-49.5175.4177.3-94.6000112.1P281 F282 I284 T288 W289 V290P281-Y286 PolarHBondContact O-N 2.89Å; P281-Y286 VanDerWaalsContact O-N 3.11Å; F282-Y286 WeakPolarHBondContact O-CB 3.43Å; I284-Y286 VanDerWaalsContact C-N 3.31Å; I284-Y286 PolarHBondContact O-N 2.79Å; Y286-T288 VanDerWaalsContact C-N 3.33Å; Y286-T288 PolarHBondContact O-N 2.71Å; Y286-W289 PolarHBondContact O-N 2.88Å; Y286-V290 HydrophobicContact CD2-CG2 3.86Å; Y286-V290 HydrophobicContact CE1-CB 4.47Å; Y286-V290 HydrophobicContact CE2-CB 4.28Å; Y286-V290 HydrophobicContact CE2-CG2 3.64Å; Y286-V290 HydrophobicContact CG-CG2 4.47Å; Y286-V290 WeakPolarHBondContact O-CB 3.35Å; Y286-V290 PolarHBondContact O-N 3.15Å
287W91.3Very high91.3Very high60 Ų6060.1 Ų60.123%0.22729%0.287CS..Hα-helixtrans-73.9-22.1-179.4-79.794.4000113.1T163 K164 M166 W167 W283 I284 I285 Y291 P292T163-W287 PolarHBondContact OG1-NE1 3.22Å; K164-W287 HydrophobicContact CB-CE3 4.32Å; K164-W287 HydrophobicContact CB-CH2 3.86Å; K164-W287 HydrophobicContact CB-CZ3 3.71Å; K164-W287 HydrophobicContact CG-CH2 4.19Å; K164-W287 HydrophobicContact CG-CZ3 3.84Å; M166-W287 HydrophobicContact CE-CB 3.5Å; M166-W287 VanDerWaalsContact CE-CB 3.5Å; W167-W287 VanDerWaalsContact CD1-O 3.31Å; W167-W287 PolarHBondContact NE1-O 2.86Å; W283-W287 WeakPolarHBondContact O-CB 3.42Å; W283-W287 PolarHBondContact O-N 3.36Å; W283-W287 VanDerWaalsContact O-N 3.07Å; I284-W287 PolarHBondContact O-N 2.86Å; I284-W287 VanDerWaalsContact O-N 3.1Å; I285-W287 VanDerWaalsContact C-N 3.35Å; I285-W287 PolarHBondContact O-N 3.43Å; W287-Y291 VanDerWaalsContact CE3-CB 3.47Å; W287-Y291 HydrophobicContact CE3-CD1 4.31Å; W287-Y291 HydrophobicContact CE3-CD2 4.07Å; W287-Y291 AromaticContact CE3-CG 3.71Å; W287-Y291 HydrophobicContact CE3-CG 3.71Å; W287-Y291 HydrophobicContact CZ3-CD1 4.41Å; W287-Y291 AromaticContact CZ3-CD2 3.53Å; W287-Y291 HydrophobicContact CZ3-CD2 3.53Å; W287-Y291 HydrophobicContact CZ3-CE2 4.13Å; W287-Y291 AromaticContact CZ3-CG 3.67Å; W287-Y291 HydrophobicContact CZ3-CG 3.67Å; W287-P292 WeakPolarHBondContact O-CD 3.27Å
288T91.8Very high90.9Very high0 Ų061 Ų610%030%0.295CS..Hα-helixtrans-81-22170.665.30000113.4M166 W167 I284 I285 Y286 Y302 F305 N306 L309M166-T288 HydrophobicContact CE-CG2 3.94Å; M166-T288 HydrophobicContact SD-CG2 4.1Å; W167-T288 HydrophobicContact CZ2-CG2 3.62Å; I284-T288 HydrophobicContact CG2-CG2 4.3Å; I284-T288 WeakPolarHBondContact O-CG2 3.42Å; I284-T288 PolarHBondContact O-N 2.91Å; I284-T288 PolarHBondContact O-OG1 2.81Å; I285-T288 WeakPolarHBondContact CA-OG1 3.25Å; I285-T288 PolarHBondContact O-N 3.48Å; I285-T288 PolarHBondContact O-OG1 3.09Å; Y286-T288 VanDerWaalsContact C-N 3.33Å; Y286-T288 PolarHBondContact O-N 2.71Å; T288-Y302 VanDerWaalsContact O-CE2 3.23Å; T288-Y302 WeakPolarHBondContact O-CE2 3.48Å; T288-F305 HydrophobicContact CG2-CE1 4.05Å; T288-N306 WeakPolarHBondContact CB-OD1 3.24Å; T288-N306 PolarHBondContact O-ND2 3.05Å; T288-N306 VanDerWaalsContact O-ND2 3.15Å; T288-N306 PolarHBondContact O-OD1 2.81Å; T288-N306 PolarHBondContact OG1-OD1 3Å; T288-L309 HydrophobicContact CG2-CD1 4.22Å
289W90.3Very high90.6Very high121 Ų12158.6 Ų58.646%0.45828%0.282SS..Hα-helixtrans-94.6-42-178.1-165.2-76.3000112.8I285 Y286 Y302 N306 M310I285-W289 WeakPolarHBondContact O-CB 3.37Å; I285-W289 PolarHBondContact O-N 3.38Å; Y286-W289 PolarHBondContact O-N 2.88Å; W289-Y302 WeakPolarHBondContact CA-OH 3.43Å; W289-Y302 PolarHBondContact O-OH 3.2Å; W289-N306 HydrophobicContact CE3-CB 3.65Å; W289-N306 HydrophobicContact CZ3-CB 3.72Å; W289-M310 HydrophobicContact CZ3-CG 4.35Å
290V89.4Confident90.4Very high55 Ų5560.1 Ų60.133%0.33329%0.288SS..THydrogen-bonded Turntrans-93.7-45-171.3179.40000112.3Y286 V293Y286-V290 HydrophobicContact CD2-CG2 3.86Å; Y286-V290 HydrophobicContact CE1-CB 4.47Å; Y286-V290 HydrophobicContact CE2-CB 4.28Å; Y286-V290 HydrophobicContact CE2-CG2 3.64Å; Y286-V290 HydrophobicContact CG-CG2 4.47Å; Y286-V290 WeakPolarHBondContact O-CB 3.35Å; Y286-V290 PolarHBondContact O-N 3.15Å; V290-V293 WeakPolarHBondContact O-CG2 3.46Å
291Y86.3Confident90.1Very high41 Ų4160.1 Ų60.116%0.16129%0.288CS..SBendtrans-72.5-46.2-169.8-179.8-105.4000114.2K164 W167 W287 V293 T294 I295K164-Y291 HydrophobicContact CG-CE1 4.4Å; K164-Y291 HydrophobicContact CG-CE2 4.08Å; W167-Y291 HydrophobicContact CB-CD1 3.6Å; W167-Y291 HydrophobicContact CB-CE1 3.63Å; W167-Y291 AromaticContact CD1-CD1 3.93Å; W167-Y291 HydrophobicContact CG-CD1 4.08Å; W287-Y291 VanDerWaalsContact CE3-CB 3.47Å; W287-Y291 HydrophobicContact CE3-CD1 4.31Å; W287-Y291 HydrophobicContact CE3-CD2 4.07Å; W287-Y291 AromaticContact CE3-CG 3.71Å; W287-Y291 HydrophobicContact CE3-CG 3.71Å; W287-Y291 HydrophobicContact CZ3-CD1 4.41Å; W287-Y291 AromaticContact CZ3-CD2 3.53Å; W287-Y291 HydrophobicContact CZ3-CD2 3.53Å; W287-Y291 HydrophobicContact CZ3-CE2 4.13Å; W287-Y291 AromaticContact CZ3-CG 3.67Å; W287-Y291 HydrophobicContact CZ3-CG 3.67Å; Y291-V293 PolarHBondContact O-N 3.17Å; Y291-T294 WeakPolarHBondContact O-CB 3.47Å; Y291-T294 PolarHBondContact O-N 3.29Å; Y291-T294 PolarHBondContact O-OG1 3.3Å; Y291-I295 HydrophobicContact CD1-CD1 4.27Å; Y291-I295 HydrophobicContact CE1-CD1 3.59Å; Y291-I295 HydrophobicContact CE2-CD1 4.37Å
292P85.8Confident89.8Confident17 Ų1759.4 Ų59.411%0.1128%0.283CS..Hα-helixtrans-56.3-36.7-179.6-29.636.8000113.5W167 W287 T294 I295 Y296 Y302W167-P292 HydrophobicContact CD2-CG 3.95Å; W167-P292 HydrophobicContact CG-CG 4.12Å; W167-P292 HydrophobicContact CZ2-CG 4.26Å; W287-P292 WeakPolarHBondContact O-CD 3.27Å; P292-T294 PolarHBondContact O-N 2.88Å; P292-I295 PolarHBondContact O-N 3.41Å; P292-I295 VanDerWaalsContact O-N 3.08Å; P292-Y296 PolarHBondContact O-N 2.98Å; P292-Y302 HydrophobicContact CB-CD2 4.3Å; P292-Y302 HydrophobicContact CB-CE2 4.42Å
293V87.3Confident89.8Confident61 Ų6159.2 Ų59.237%0.3728%0.279SS..Hα-helixtrans-71.9-12.3180-59.20000113.9V290 Y291 I295 Y296 P298 Y302V290-V293 WeakPolarHBondContact O-CG2 3.46Å; Y291-V293 PolarHBondContact O-N 3.17Å; V293-I295 VanDerWaalsContact C-N 3.34Å; V293-Y296 VanDerWaalsContact CA-O 3.3Å; V293-Y296 WeakPolarHBondContact CA-O 3.46Å; V293-P298 HydrophobicContact CG1-CB 4.2Å; V293-Y302 HydrophobicContact CG1-CD2 4.49Å; V293-Y302 HydrophobicContact CG1-CE1 4.22Å; V293-Y302 HydrophobicContact CG1-CE2 3.85Å
294T87.2Confident89.8Confident99 Ų9957 Ų5761%0.60727%0.272SS*.Hα-helixtrans-80.6-18.3171.368.80000112.7Y291 P292Y291-T294 WeakPolarHBondContact O-CB 3.47Å; Y291-T294 PolarHBondContact O-N 3.29Å; Y291-T294 PolarHBondContact O-OG1 3.3Å; P292-T294 PolarHBondContact O-N 2.88Å
295I83.8Confident89.8Confident79 Ų7957.1 Ų57.141%0.40527%0.273SS..Hα-helixtrans-105-42.9-178.1-53.8176.3000110.4Y291 P292 V293Y291-I295 HydrophobicContact CD1-CD1 4.27Å; Y291-I295 HydrophobicContact CE1-CD1 3.59Å; Y291-I295 HydrophobicContact CE2-CD1 4.37Å; P292-I295 PolarHBondContact O-N 3.41Å; P292-I295 VanDerWaalsContact O-N 3.08Å; V293-I295 VanDerWaalsContact C-N 3.34Å
296Y84.3Confident89.9Confident64 Ų6456.5 Ų56.525%0.25127%0.27SS..SBendtrans-129.8146.6-173.6-60.8-65.6000111.2P17 L20 F170 P292 V293P17-Y296 HydrophobicContact CB-CD1 3.31Å; P17-Y296 HydrophobicContact CB-CD2 4.25Å; P17-Y296 HydrophobicContact CB-CE1 3.88Å; P17-Y296 HydrophobicContact CB-CG 3.52Å; P17-Y296 HydrophobicContact CG-CD1 3.7Å; P17-Y296 HydrophobicContact CG-CD2 3.68Å; P17-Y296 HydrophobicContact CG-CE1 4.12Å; P17-Y296 HydrophobicContact CG-CE2 4.12Å; P17-Y296 HydrophobicContact CG-CG 3.45Å; P17-Y296 VanDerWaalsContact CG-CG 3.45Å; L20-Y296 HydrophobicContact CD1-CE1 3.97Å; F170-Y296 HydrophobicContact CD1-CD2 4.43Å; F170-Y296 HydrophobicContact CD1-CE2 4.04Å; F170-Y296 PolarHBondContact O-OH 3.44Å; P292-Y296 PolarHBondContact O-N 2.98Å; V293-Y296 VanDerWaalsContact CA-O 3.3Å; V293-Y296 WeakPolarHBondContact CA-O 3.46Å
297P87.3Confident90Very high69 Ų6952.3 Ų52.345%0.44826%0.264SS..  trans-60.9144.7167.827.7-33.5000109.9F299P297-F299 PolarHBondContact O-N 3.49Å
298P88.6Confident90.3Very high62 Ų6250.5 Ų50.540%0.40326%0.258SS..  trans-65.413718027.5-34.5000111.1V293 Y302 Y303V293-P298 HydrophobicContact CG1-CB 4.2Å; P298-Y302 HydrophobicContact CB-CD1 3.82Å; P298-Y302 HydrophobicContact CB-CE1 4.12Å; P298-Y302 HydrophobicContact CB-CG 4.5Å; P298-Y303 HydrophobicContact CB-CE2 3.85Å; P298-Y303 HydrophobicContact CG-CE2 4.48Å; P298-Y303 WeakPolarHBondContact CG-OH 3.4Å
299F89.9Confident90.5Very high22 Ų2250.5 Ų50.510%0.09626%0.258CS..  trans-124.7173.8179.656.6-85.7000110.7W15 P17 Y228 P297 G301 Y302 Y303W15-F299 VanDerWaalsContact C-CE2 3.47Å; W15-F299 WeakPolarHBondContact O-CE2 3.44Å; P17-F299 HydrophobicContact CG-CD1 4.3Å; P17-F299 HydrophobicContact CG-CE1 3.81Å; P17-F299 HydrophobicContact CG-CZ 4.45Å; Y228-F299 VanDerWaalsContact OH-CZ 3.32Å; Y228-F299 WeakPolarHBondContact OH-CZ 3.31Å; P297-F299 PolarHBondContact O-N 3.49Å; F299-G301 PolarHBondContact O-N 3.29Å; F299-Y302 WeakPolarHBondContact O-CB 3.48Å; F299-Y302 PolarHBondContact O-N 2.84Å; F299-Y302 VanDerWaalsContact O-N 3.16Å; F299-Y303 VanDerWaalsContact O-CD2 3.25Å; F299-Y303 WeakPolarHBondContact O-CD2 3.4Å; F299-Y303 PolarHBondContact O-N 2.99Å
300F90.8Very high90.9Very high97 Ų9748.4 Ų48.443%0.42526%0.255SS..Hα-helixtrans-58.4-45.7-173.8172.2-91.6000112.9L14 W15 Y302 Y303 F304L14-F300 HydrophobicContact CB-CB 4.43Å; L14-F300 HydrophobicContact CB-CD1 4.48Å; L14-F300 HydrophobicContact CD2-CB 4.15Å; L14-F300 HydrophobicContact CD2-CG 4.49Å; L14-F300 CarbonylContact O-C 3.58Å; L14-F300 VanDerWaalsContact O-CB 3.3Å; L14-F300 WeakPolarHBondContact O-CB 3.49Å; W15-F300 HydrophobicContact CE3-CD1 4.05Å; W15-F300 HydrophobicContact CE3-CE1 4.37Å; W15-F300 AromaticContact CH2-CD1 3.89Å; W15-F300 HydrophobicContact CH2-CD1 3.89Å; W15-F300 AromaticContact CH2-CE1 3.5Å; W15-F300 HydrophobicContact CH2-CE1 3.5Å; W15-F300 VanDerWaalsContact CH2-CE1 3.5Å; W15-F300 HydrophobicContact CZ2-CE1 4.44Å; W15-F300 AromaticContact CZ3-CD1 3.56Å; W15-F300 HydrophobicContact CZ3-CD1 3.56Å; W15-F300 AromaticContact CZ3-CE1 3.43Å; W15-F300 HydrophobicContact CZ3-CE1 3.43Å; W15-F300 VanDerWaalsContact CZ3-CE1 3.43Å; F300-Y302 VanDerWaalsContact C-N 3.28Å; F300-Y302 PolarHBondContact O-N 3.4Å; F300-Y303 PolarHBondContact O-N 3.12Å; F300-Y303 VanDerWaalsContact O-N 3.09Å; F300-F304 HydrophobicContact CD1-CB 4.47Å; F300-F304 HydrophobicContact CE1-CB 4.06Å; F300-F304 HydrophobicContact CE1-CD2 4.39Å; F300-F304 HydrophobicContact CE1-CG 4.29Å; F300-F304 HydrophobicContact CZ-CB 4.3Å; F300-F304 HydrophobicContact CZ-CD2 4.19Å; F300-F304 HydrophobicContact CZ-CG 4.48Å; F300-F304 WeakPolarHBondContact O-CB 3.36Å; F300-F304 PolarHBondContact O-N 3.28Å
301G90.7Very high91.3Very high0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-58.6-35.1177.800000113.8L14 F299 F305L14-G301 PolarHBondContact O-N 2.94Å; F299-G301 PolarHBondContact O-N 3.29Å; G301-F305 VanDerWaalsContact O-CB 3.31Å; G301-F305 WeakPolarHBondContact O-CB 3.24Å; G301-F305 PolarHBondContact O-N 3.36Å
302Y91.1Very high91.8Very high12 Ų1246.7 Ų46.75%0.04725%0.249CC..Hα-helixtrans-62-48.2172.5162.3-88.4000111.7T288 W289 P292 V293 P298 F299 F300 N306T288-Y302 VanDerWaalsContact O-CE2 3.23Å; T288-Y302 WeakPolarHBondContact O-CE2 3.48Å; W289-Y302 WeakPolarHBondContact CA-OH 3.43Å; W289-Y302 PolarHBondContact O-OH 3.2Å; P292-Y302 HydrophobicContact CB-CD2 4.3Å; P292-Y302 HydrophobicContact CB-CE2 4.42Å; V293-Y302 HydrophobicContact CG1-CD2 4.49Å; V293-Y302 HydrophobicContact CG1-CE1 4.22Å; V293-Y302 HydrophobicContact CG1-CE2 3.85Å; P298-Y302 HydrophobicContact CB-CD1 3.82Å; P298-Y302 HydrophobicContact CB-CE1 4.12Å; P298-Y302 HydrophobicContact CB-CG 4.5Å; F299-Y302 WeakPolarHBondContact O-CB 3.48Å; F299-Y302 PolarHBondContact O-N 2.84Å; F299-Y302 VanDerWaalsContact O-N 3.16Å; F300-Y302 VanDerWaalsContact C-N 3.28Å; F300-Y302 PolarHBondContact O-N 3.4Å; Y302-N306 WeakPolarHBondContact CD2-ND2 3.44Å; Y302-N306 VanDerWaalsContact CE2-ND2 3.29Å; Y302-N306 WeakPolarHBondContact CE2-ND2 3.41Å; Y302-N306 WeakPolarHBondContact O-CB 3.24Å; Y302-N306 PolarHBondContact O-N 3.46Å; Y302-N306 VanDerWaalsContact O-N 3.14Å; Y302-N306 PolarHBondContact O-ND2 2.98Å
303Y93.8Very high92.3Very high133 Ų13346.6 Ų46.652%0.52225%0.247SC..Hα-helixtrans-68-40178.3-69.2-66.8000112.1P298 F299 F300 G307P298-Y303 HydrophobicContact CB-CE2 3.85Å; P298-Y303 HydrophobicContact CG-CE2 4.48Å; P298-Y303 WeakPolarHBondContact CG-OH 3.4Å; F299-Y303 VanDerWaalsContact O-CD2 3.25Å; F299-Y303 WeakPolarHBondContact O-CD2 3.4Å; F299-Y303 PolarHBondContact O-N 2.99Å; F300-Y303 PolarHBondContact O-N 3.12Å; F300-Y303 VanDerWaalsContact O-N 3.09Å; Y303-G307 WeakPolarHBondContact O-CA 3.39Å; Y303-G307 PolarHBondContact O-N 3.41Å
304F94.3Very high92.9Very high68 Ų6847.4 Ų47.430%0.29825%0.254SS..Hα-helixtrans-61.8-49.2179.1-178.3-104.7000111.5F222 F300 G307 L308F222-F304 HydrophobicContact CB-CE1 4.23Å; F222-F304 HydrophobicContact CD1-CD1 4.25Å; F222-F304 AromaticContact CD2-CD1 3.69Å; F222-F304 HydrophobicContact CD2-CD1 3.69Å; F222-F304 AromaticContact CD2-CE1 3.7Å; F222-F304 HydrophobicContact CD2-CE1 3.7Å; F222-F304 HydrophobicContact CE1-CD1 4.33Å; F222-F304 AromaticContact CE2-CD1 3.78Å; F222-F304 HydrophobicContact CE2-CD1 3.78Å; F222-F304 HydrophobicContact CE2-CE1 4.25Å; F222-F304 AromaticContact CG-CD1 3.94Å; F222-F304 HydrophobicContact CG-CD1 3.94Å; F222-F304 AromaticContact CG-CE1 3.87Å; F222-F304 HydrophobicContact CG-CE1 3.87Å; F222-F304 HydrophobicContact CZ-CD1 4.1Å; F300-F304 HydrophobicContact CD1-CB 4.47Å; F300-F304 HydrophobicContact CE1-CB 4.06Å; F300-F304 HydrophobicContact CE1-CD2 4.39Å; F300-F304 HydrophobicContact CE1-CG 4.29Å; F300-F304 HydrophobicContact CZ-CB 4.3Å; F300-F304 HydrophobicContact CZ-CD2 4.19Å; F300-F304 HydrophobicContact CZ-CG 4.48Å; F300-F304 WeakPolarHBondContact O-CB 3.36Å; F300-F304 PolarHBondContact O-N 3.28Å; F304-G307 PolarHBondContact O-N 3.11Å; F304-L308 HydrophobicContact CD1-CD1 4.19Å; F304-L308 HydrophobicContact CE1-CD1 3.63Å; F304-L308 HydrophobicContact CE2-CD1 4.44Å; F304-L308 HydrophobicContact CZ-CD1 3.78Å; F304-L308 HydrophobicContact CZ-CG 4.48Å; F304-L308 WeakPolarHBondContact O-CG 3.32Å; F304-L308 PolarHBondContact O-N 3.28Å; F304-L308 VanDerWaalsContact O-N 3.07Å
305F94.5Very high93.3Very high1 Ų143.7 Ų43.70%0.00423%0.23CC..Hα-helixtrans-61.9-52.8178.5-175.5-114.5000112.2W167 L219 F222 Y228 A231 I235 T288 G301 G307 L308 L309W167-F305 HydrophobicContact CH2-CE1 4.36Å; W167-F305 HydrophobicContact CZ2-CE1 4.36Å; L219-F305 HydrophobicContact CD2-CD2 3.58Å; L219-F305 HydrophobicContact CD2-CE2 3.55Å; L219-F305 HydrophobicContact CD2-CZ 4.48Å; F222-F305 HydrophobicContact CD1-CB 4.19Å; F222-F305 AromaticContact CD1-CD2 3.83Å; F222-F305 HydrophobicContact CD1-CD2 3.83Å; F222-F305 HydrophobicContact CD1-CG 4.42Å; F222-F305 HydrophobicContact CE1-CB 3.74Å; F222-F305 HydrophobicContact CE1-CD2 4.12Å; F222-F305 HydrophobicContact CE1-CG 4.27Å; Y228-F305 AromaticContact CD2-CD1 3.86Å; Y228-F305 HydrophobicContact CD2-CD1 3.86Å; Y228-F305 HydrophobicContact CD2-CD2 4.03Å; Y228-F305 AromaticContact CD2-CE1 3.92Å; Y228-F305 HydrophobicContact CD2-CE1 3.92Å; Y228-F305 HydrophobicContact CD2-CE2 4.11Å; Y228-F305 AromaticContact CD2-CG 3.9Å; Y228-F305 HydrophobicContact CD2-CG 3.9Å; Y228-F305 HydrophobicContact CD2-CZ 4.05Å; Y228-F305 HydrophobicContact CE2-CB 4.05Å; Y228-F305 AromaticContact CE2-CD1 3.81Å; Y228-F305 HydrophobicContact CE2-CD1 3.81Å; Y228-F305 HydrophobicContact CE2-CD2 4.34Å; Y228-F305 HydrophobicContact CE2-CE1 4.31Å; Y228-F305 AromaticContact CE2-CG 3.81Å; Y228-F305 HydrophobicContact CE2-CG 3.81Å; A231-F305 HydrophobicContact CB-CZ 4.45Å; I235-F305 HydrophobicContact CD1-CE1 4.49Å; I235-F305 HydrophobicContact CD1-CE2 4.47Å; I235-F305 HydrophobicContact CD1-CZ 3.68Å; T288-F305 HydrophobicContact CG2-CE1 4.05Å; G301-F305 VanDerWaalsContact O-CB 3.31Å; G301-F305 WeakPolarHBondContact O-CB 3.24Å; G301-F305 PolarHBondContact O-N 3.36Å; F305-G307 VanDerWaalsContact C-N 3.28Å; F305-G307 PolarHBondContact O-N 2.97Å; F305-L308 PolarHBondContact O-N 3.03Å; F305-L309 HydrophobicContact CD1-CD1 3.97Å; F305-L309 HydrophobicContact CE1-CD1 3.62Å; F305-L309 HydrophobicContact CE1-CG 4.35Å; F305-L309 HydrophobicContact CZ-CD1 4.07Å; F305-L309 HydrophobicContact CZ-CD2 4.4Å; F305-L309 HydrophobicContact CZ-CG 4.43Å; F305-L309 WeakPolarHBondContact O-CG 3.31Å; F305-L309 PolarHBondContact O-N 3.24Å
306N95.6Very high93.9Very high2 Ų240 Ų401%0.01121%0.211CC..Hα-helixtrans-63.9-34.3179.4-79.2-73.4000112T288 W289 Y302 L309 M310T288-N306 WeakPolarHBondContact CB-OD1 3.24Å; T288-N306 PolarHBondContact O-ND2 3.05Å; T288-N306 VanDerWaalsContact O-ND2 3.15Å; T288-N306 PolarHBondContact O-OD1 2.81Å; T288-N306 PolarHBondContact OG1-OD1 3Å; W289-N306 HydrophobicContact CE3-CB 3.65Å; W289-N306 HydrophobicContact CZ3-CB 3.72Å; Y302-N306 WeakPolarHBondContact CD2-ND2 3.44Å; Y302-N306 VanDerWaalsContact CE2-ND2 3.29Å; Y302-N306 WeakPolarHBondContact CE2-ND2 3.41Å; Y302-N306 WeakPolarHBondContact O-CB 3.24Å; Y302-N306 PolarHBondContact O-N 3.46Å; Y302-N306 VanDerWaalsContact O-N 3.14Å; Y302-N306 PolarHBondContact O-ND2 2.98Å; N306-L309 PolarHBondContact O-N 2.87Å; N306-M310 WeakPolarHBondContact O-CG 3.49Å; N306-M310 PolarHBondContact O-N 3.13Å
307G96.4Very high94.6Very high35 Ų3541 Ų4136%0.36122%0.22SC..Hα-helixtrans-59.9-45.6173.400000112.5Y303 F304 F305 M310 V311Y303-G307 WeakPolarHBondContact O-CA 3.39Å; Y303-G307 PolarHBondContact O-N 3.41Å; F304-G307 PolarHBondContact O-N 3.11Å; F305-G307 VanDerWaalsContact C-N 3.28Å; F305-G307 PolarHBondContact O-N 2.97Å; G307-M310 PolarHBondContact O-N 3.38Å; G307-V311 WeakPolarHBondContact O-CG2 3.22Å; G307-V311 PolarHBondContact O-N 3.15Å
308L96.9Very high95Very high22 Ų2241.6 Ų41.612%0.11522%0.216CC..Hα-helixtrans-64.9-38.4174.9-69.6174.2000112.4L218 L219 F304 F305 M310 V311 L312L218-L308 HydrophobicContact CB-CD1 4Å; L218-L308 HydrophobicContact CD1-CD2 4.47Å; L219-L308 HydrophobicContact CD1-CB 4.11Å; L219-L308 HydrophobicContact CD2-CB 3.56Å; L219-L308 HydrophobicContact CD2-CD1 4.16Å; L219-L308 HydrophobicContact CG-CB 3.66Å; L219-L308 HydrophobicContact CG-CD1 4.09Å; F304-L308 HydrophobicContact CD1-CD1 4.19Å; F304-L308 HydrophobicContact CE1-CD1 3.63Å; F304-L308 HydrophobicContact CE2-CD1 4.44Å; F304-L308 HydrophobicContact CZ-CD1 3.78Å; F304-L308 HydrophobicContact CZ-CG 4.48Å; F304-L308 WeakPolarHBondContact O-CG 3.32Å; F304-L308 PolarHBondContact O-N 3.28Å; F304-L308 VanDerWaalsContact O-N 3.07Å; F305-L308 PolarHBondContact O-N 3.03Å; L308-M310 VanDerWaalsContact C-N 3.31Å; L308-M310 PolarHBondContact O-N 3.25Å; L308-V311 WeakPolarHBondContact O-CB 3.11Å; L308-V311 PolarHBondContact O-N 3.06Å; L308-L312 PolarHBondContact O-N 3.46Å
309L97.1Very high95.4Very high0 Ų039.6 Ų39.60%020%0.2CC..Hα-helixtrans-62-38.7173.5-65.2178.8000112L219 I235 F280 I285 T288 F305 N306 L312 Q313L219-L309 HydrophobicContact CD1-CD2 4.01Å; L219-L309 HydrophobicContact CD2-CD2 3.8Å; L219-L309 HydrophobicContact CD2-CG 4.11Å; I235-L309 HydrophobicContact CD1-CD2 3.72Å; I235-L309 HydrophobicContact CG1-CD2 4.45Å; F280-L309 HydrophobicContact CE2-CD2 4.06Å; F280-L309 HydrophobicContact CZ-CB 4.32Å; F280-L309 HydrophobicContact CZ-CD2 3.9Å; I285-L309 HydrophobicContact CD1-CB 4.36Å; I285-L309 HydrophobicContact CG1-CB 4.2Å; I285-L309 HydrophobicContact CG1-CD1 4.42Å; T288-L309 HydrophobicContact CG2-CD1 4.22Å; F305-L309 HydrophobicContact CD1-CD1 3.97Å; F305-L309 HydrophobicContact CE1-CD1 3.62Å; F305-L309 HydrophobicContact CE1-CG 4.35Å; F305-L309 HydrophobicContact CZ-CD1 4.07Å; F305-L309 HydrophobicContact CZ-CD2 4.4Å; F305-L309 HydrophobicContact CZ-CG 4.43Å; F305-L309 WeakPolarHBondContact O-CG 3.31Å; F305-L309 PolarHBondContact O-N 3.24Å; N306-L309 PolarHBondContact O-N 2.87Å; L309-L312 WeakPolarHBondContact O-CB 3.43Å; L309-L312 PolarHBondContact O-N 2.94Å; L309-Q313 PolarHBondContact O-N 3Å
310M97.6Very high95.7Very high77 Ų7738.7 Ų38.738%0.37920%0.197SC..Hα-helixtrans-67.3-37.1175.4-70.3-55.1-59.800112.3I285 W289 N306 G307 L308 L312 Q313 C314I285-M310 HydrophobicContact CD1-SD 4.31Å; I285-M310 HydrophobicContact CG2-SD 4.17Å; W289-M310 HydrophobicContact CZ3-CG 4.35Å; N306-M310 WeakPolarHBondContact O-CG 3.49Å; N306-M310 PolarHBondContact O-N 3.13Å; G307-M310 PolarHBondContact O-N 3.38Å; L308-M310 VanDerWaalsContact C-N 3.31Å; L308-M310 PolarHBondContact O-N 3.25Å; M310-L312 VanDerWaalsContact C-N 3.32Å; M310-L312 PolarHBondContact O-N 3.26Å; M310-Q313 PolarHBondContact O-N 2.61Å; M310-C314 PolarHBondContact O-N 3.48Å; M310-C314 PolarHBondContact O-SG 3.28Å; M310-C314 VanDerWaalsContact O-SG 3.33Å
311V97.5Very high95.9Very high60 Ų6037.9 Ų37.936%0.36420%0.2SC..Hα-helixtrans-58.6-46.4171.3170.90000110.4V211 A215 G307 L308 C314 L315V211-V311 HydrophobicContact CG1-CG1 4.23Å; A215-V311 HydrophobicContact CB-CG1 4.28Å; G307-V311 WeakPolarHBondContact O-CG2 3.22Å; G307-V311 PolarHBondContact O-N 3.15Å; L308-V311 WeakPolarHBondContact O-CB 3.11Å; L308-V311 PolarHBondContact O-N 3.06Å; V311-C314 PolarHBondContact O-N 3.39Å; V311-L315 HydrophobicContact CG1-CD1 4.2Å; V311-L315 WeakPolarHBondContact O-CG 3.17Å; V311-L315 PolarHBondContact O-N 3.33Å; V311-L315 VanDerWaalsContact O-N 3.15Å
312L96.6Very high96.1Very high1 Ų140 Ų401%0.00521%0.211CC..Hα-helixtrans-59-47174.1-99.265000111.6A215 T216 L219 F280 L308 L309 M310 C314 L315 H316A215-L312 HydrophobicContact CB-CD1 3.44Å; A215-L312 VanDerWaalsContact CB-CD1 3.44Å; T216-L312 HydrophobicContact CG2-CD1 4.33Å; T216-L312 HydrophobicContact CG2-CD2 4.05Å; T216-L312 HydrophobicContact CG2-CG 4.43Å; L219-L312 HydrophobicContact CD1-CD1 3.65Å; L219-L312 HydrophobicContact CD1-CD2 3.5Å; L219-L312 HydrophobicContact CD1-CG 4.17Å; F280-L312 HydrophobicContact CE1-CB 4.28Å; F280-L312 HydrophobicContact CZ-CB 4.37Å; L308-L312 PolarHBondContact O-N 3.46Å; L309-L312 WeakPolarHBondContact O-CB 3.43Å; L309-L312 PolarHBondContact O-N 2.94Å; M310-L312 VanDerWaalsContact C-N 3.32Å; M310-L312 PolarHBondContact O-N 3.26Å; L312-C314 VanDerWaalsContact C-N 3.34Å; L312-C314 PolarHBondContact O-N 2.92Å; L312-L315 WeakPolarHBondContact O-CB 3.13Å; L312-L315 PolarHBondContact O-N 3.45Å; L312-L315 VanDerWaalsContact O-N 3.13Å; L312-H316 PolarHBondContact O-CE1 3.07Å; L312-H316 VanDerWaalsContact O-CG 3.3Å; L312-H316 PolarHBondContact O-N 3.04Å; L312-H316 PolarHBondContact O-ND1 2.98Å; L312-H316 VanDerWaalsContact O-ND1 3.11Å
313Q97.9Very high96.2Very high15 Ų1540.1 Ų40.17%0.0721%0.212CC..Hα-helixtrans-58.9-43.3179.4-1755940.200112.3R276 F280 I285 L309 M310 L315 H316 I317R276-Q313 PolarHBondContact O-NE2 3.36Å; R276-Q313 PolarHBondContact O-OE1 3.04Å; F280-Q313 HydrophobicContact CE1-CB 4.31Å; I285-Q313 HydrophobicContact CD1-CB 4.02Å; I285-Q313 HydrophobicContact CD1-CG 4.35Å; L309-Q313 PolarHBondContact O-N 3Å; M310-Q313 PolarHBondContact O-N 2.61Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.07Å; Q313-H316 PolarHBondContact O-N 3.32Å; Q313-I317 HydrophobicContact CG-CD1 4.23Å; Q313-I317 WeakPolarHBondContact O-CG1 3.19Å; Q313-I317 PolarHBondContact O-N 3.36Å
314C98.1Very high96.1Very high78 Ų7837.6 Ų37.653%0.52721%0.207SC..Hα-helixtrans-60.8-41.3176-71.60000112M310 V311 L312 I317 F318M310-C314 PolarHBondContact O-N 3.48Å; M310-C314 PolarHBondContact O-SG 3.28Å; M310-C314 VanDerWaalsContact O-SG 3.33Å; V311-C314 PolarHBondContact O-N 3.39Å; L312-C314 VanDerWaalsContact C-N 3.34Å; L312-C314 PolarHBondContact O-N 2.92Å; C314-I317 PolarHBondContact O-N 3.4Å; C314-F318 PolarHBondContact O-N 3.22Å
315L96.7Very high96Very high20 Ų2041.4 Ų41.411%0.10522%0.219CC..Hα-helixtrans-66.4-39.7176-68167.1000111.7E208 V211 H212 V311 L312 Q313 I317 F318 W319E208-L315 HydrophobicContact CB-CD2 4.1Å; V211-L315 HydrophobicContact CG1-CD1 4.18Å; H212-L315 HydrophobicContact CB-CD1 3.96Å; V311-L315 HydrophobicContact CG1-CD1 4.2Å; V311-L315 WeakPolarHBondContact O-CG 3.17Å; V311-L315 PolarHBondContact O-N 3.33Å; V311-L315 VanDerWaalsContact O-N 3.15Å; L312-L315 WeakPolarHBondContact O-CB 3.13Å; L312-L315 PolarHBondContact O-N 3.45Å; L312-L315 VanDerWaalsContact O-N 3.13Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.07Å; L315-I317 VanDerWaalsContact C-N 3.34Å; L315-I317 PolarHBondContact O-N 3.02Å; L315-F318 WeakPolarHBondContact O-CB 3.43Å; L315-F318 PolarHBondContact O-N 3.45Å; L315-W319 HydrophobicContact CB-CE3 4.12Å; L315-W319 HydrophobicContact CB-CH2 4.17Å; L315-W319 HydrophobicContact CB-CZ3 3.77Å; L315-W319 PolarHBondContact O-N 2.65Å
316H97.3Very high95.7Very high1 Ų142.2 Ų42.21%0.00522%0.223CC..Hα-helixtrans-62.1-40.7173.9-61.7137.5000112.5H239 F272 R276 L277 F280 L312 Q313 W319 A320H239-H316 AromaticContact CD2-CE1 3.64Å; H239-H316 AromaticContact CD2-NE2 3.59Å; H239-H316 AromaticContact NE2-CE1 3.07Å; H239-H316 PolarHBondContact NE2-CE1 3.2Å; H239-H316 AromaticContact NE2-NE2 3.55Å; F272-H316 HydrophobicContact CZ-CB 4.45Å; R276-H316 HydrophobicContact CB-CB 4.09Å; L277-H316 HydrophobicContact CD2-CB 4.16Å; F280-H316 AromaticContact CD1-ND1 3.81Å; F280-H316 AromaticContact CE1-CE1 3.94Å; F280-H316 AromaticContact CE1-ND1 3.83Å; L312-H316 PolarHBondContact O-CE1 3.07Å; L312-H316 VanDerWaalsContact O-CG 3.3Å; L312-H316 PolarHBondContact O-N 3.04Å; L312-H316 PolarHBondContact O-ND1 2.98Å; L312-H316 VanDerWaalsContact O-ND1 3.11Å; Q313-H316 PolarHBondContact O-N 3.32Å; H316-W319 PolarHBondContact O-N 3.39Å; H316-A320 VanDerWaalsContact O-CB 3.24Å; H316-A320 WeakPolarHBondContact O-CB 3.32Å; H316-A320 PolarHBondContact O-N 2.87Å
317I97.9Very high95.3Very high86 Ų8643.2 Ų43.244%0.44123%0.232SC..Hα-helixtrans-62.8-45.2174.9-67.4165.2000110.1L277 Q313 C314 L315 W319 A320 V321L277-I317 HydrophobicContact CD2-CG1 3.98Å; Q313-I317 HydrophobicContact CG-CD1 4.23Å; Q313-I317 WeakPolarHBondContact O-CG1 3.19Å; Q313-I317 PolarHBondContact O-N 3.36Å; C314-I317 PolarHBondContact O-N 3.4Å; L315-I317 VanDerWaalsContact C-N 3.34Å; L315-I317 PolarHBondContact O-N 3.02Å; I317-W319 PolarHBondContact O-N 3.43Å; I317-A320 PolarHBondContact O-N 2.89Å; I317-V321 WeakPolarHBondContact O-CG2 3.45Å; I317-V321 PolarHBondContact O-N 3.18Å
318F96.5Very high94.7Very high81 Ų8146.1 Ų46.136%0.35524%0.238SC..Hα-helixtrans-56-50.1175.6168.5-97.4000111.9D205 E208 C314 L315 V321 L322D205-F318 HydrophobicContact CB-CE1 4.32Å; E208-F318 HydrophobicContact CB-CE1 4.32Å; E208-F318 HydrophobicContact CG-CD1 4.34Å; E208-F318 HydrophobicContact CG-CE1 3.89Å; E208-F318 HydrophobicContact CG-CZ 4.18Å; C314-F318 PolarHBondContact O-N 3.22Å; L315-F318 WeakPolarHBondContact O-CB 3.43Å; L315-F318 PolarHBondContact O-N 3.45Å; F318-V321 PolarHBondContact O-N 2.93Å; F318-L322 HydrophobicContact CD1-CD1 4.45Å; F318-L322 HydrophobicContact CE1-CD1 3.77Å; F318-L322 HydrophobicContact CZ-CD1 3.88Å; F318-L322 PolarHBondContact O-N 3.07Å
319W96.2Very high94Very high21 Ų2150.3 Ų50.38%0.0825%0.253CS..Hα-helixtrans-68.5-35.3178.2-70.3-50.6000113D205 H212 F272 L315 H316 I317 V321 L322 I323D205-W319 PolarHBondContact OD2-NE1 3.48Å; H212-W319 HydrophobicContact CB-CH2 3.63Å; H212-W319 HydrophobicContact CB-CZ2 4.46Å; H212-W319 HydrophobicContact CB-CZ3 4.49Å; H212-W319 AromaticContact CD2-CH2 3.59Å; H212-W319 AromaticContact CD2-CZ3 3.67Å; H212-W319 AromaticContact CG-CH2 3.67Å; F272-W319 HydrophobicContact CZ-CB 4.06Å; L315-W319 HydrophobicContact CB-CE3 4.12Å; L315-W319 HydrophobicContact CB-CH2 4.17Å; L315-W319 HydrophobicContact CB-CZ3 3.77Å; L315-W319 PolarHBondContact O-N 2.65Å; H316-W319 PolarHBondContact O-N 3.39Å; I317-W319 PolarHBondContact O-N 3.43Å; W319-V321 VanDerWaalsContact C-N 3.29Å; W319-V321 PolarHBondContact O-N 3.32Å; W319-L322 WeakPolarHBondContact O-CB 3.39Å; W319-L322 PolarHBondContact O-N 3.33Å; W319-L322 VanDerWaalsContact O-N 3.09Å; W319-I323 VanDerWaalsContact O-CG1 3.24Å; W319-I323 WeakPolarHBondContact O-CG1 3.33Å; W319-I323 PolarHBondContact O-N 2.93Å
320A96.6Very high92.8Very high3 Ų351.5 Ų51.53%0.02526%0.258CS..Hα-helixtrans-58.8-41.6174.900000111.6F272 I273 L277 H316 I317 L322 I323 I324F272-A320 HydrophobicContact CE1-CB 4.08Å; I273-A320 HydrophobicContact CD1-CB 3.83Å; L277-A320 HydrophobicContact CD1-CB 3.62Å; L277-A320 HydrophobicContact CG-CB 4.32Å; H316-A320 VanDerWaalsContact O-CB 3.24Å; H316-A320 WeakPolarHBondContact O-CB 3.32Å; H316-A320 PolarHBondContact O-N 2.87Å; I317-A320 PolarHBondContact O-N 2.89Å; A320-L322 VanDerWaalsContact C-N 3.3Å; A320-L322 PolarHBondContact O-N 3.06Å; A320-I323 PolarHBondContact O-N 3.29Å; A320-I324 WeakPolarHBondContact O-CB 3.29Å; A320-I324 VanDerWaalsContact O-CG1 3.25Å; A320-I324 WeakPolarHBondContact O-CG1 3.46Å; A320-I324 PolarHBondContact O-N 3.12Å
321V95.7Very high91.6Very high80 Ų8054.4 Ų54.449%0.48527%0.274SS..Hα-helixtrans-60.2-41.4175171.90000111.2I317 F318 W319 R325I317-V321 WeakPolarHBondContact O-CG2 3.45Å; I317-V321 PolarHBondContact O-N 3.18Å; F318-V321 PolarHBondContact O-N 2.93Å; W319-V321 VanDerWaalsContact C-N 3.29Å; W319-V321 PolarHBondContact O-N 3.32Å; V321-R325 VanDerWaalsContact O-CB 3.29Å; V321-R325 WeakPolarHBondContact O-CB 3.46Å; V321-R325 PolarHBondContact O-N 3.15Å
322L93Very high90.5Very high44 Ų4456.4 Ų56.423%0.2329%0.287CS..Hα-helixtrans-66-44.9175.8-62-179.4000111.9F318 W319 A320 R325 I326F318-L322 HydrophobicContact CD1-CD1 4.45Å; F318-L322 HydrophobicContact CE1-CD1 3.77Å; F318-L322 HydrophobicContact CZ-CD1 3.88Å; F318-L322 PolarHBondContact O-N 3.07Å; W319-L322 WeakPolarHBondContact O-CB 3.39Å; W319-L322 PolarHBondContact O-N 3.33Å; W319-L322 VanDerWaalsContact O-N 3.09Å; A320-L322 VanDerWaalsContact C-N 3.3Å; A320-L322 PolarHBondContact O-N 3.06Å; L322-R325 PolarHBondContact O-N 2.78Å; L322-I326 WeakPolarHBondContact O-CB 3.27Å; L322-I326 WeakPolarHBondContact O-CD1 3.05Å; L322-I326 VanDerWaalsContact O-CG1 3.22Å; L322-I326 WeakPolarHBondContact O-CG1 3.31Å; L322-I326 PolarHBondContact O-N 3.33Å
323I93.6Very high88.9Confident15 Ų1561 Ų618%0.07731%0.311CS..Hα-helixtrans-61.7-47.3179.6-67.1164000110.4F265 F268 A269 F272 W319 A320 I326 A327F265-I323 HydrophobicContact CZ-CG2 4.12Å; F268-I323 HydrophobicContact CE1-CD1 3.69Å; F268-I323 HydrophobicContact CE1-CG1 3.88Å; F268-I323 HydrophobicContact CE1-CG2 4.2Å; F268-I323 HydrophobicContact CZ-CD1 3.55Å; F268-I323 HydrophobicContact CZ-CG1 4.21Å; A269-I323 HydrophobicContact CB-CG2 3.51Å; F272-I323 HydrophobicContact CD1-CD1 3.65Å; F272-I323 HydrophobicContact CD2-CD1 4.14Å; F272-I323 HydrophobicContact CE1-CD1 3.74Å; F272-I323 HydrophobicContact CE2-CD1 4.2Å; F272-I323 HydrophobicContact CG-CD1 3.87Å; F272-I323 HydrophobicContact CZ-CD1 4.01Å; W319-I323 VanDerWaalsContact O-CG1 3.24Å; W319-I323 WeakPolarHBondContact O-CG1 3.33Å; W319-I323 PolarHBondContact O-N 2.93Å; A320-I323 PolarHBondContact O-N 3.29Å; I323-I326 PolarHBondContact O-N 3.09Å; I323-A327 WeakPolarHBondContact O-CB 3.32Å; I323-A327 PolarHBondContact O-N 3.15Å
324I93.1Very high86.9Confident80 Ų8068.2 Ų68.241%0.4135%0.35SS..Hα-helixtrans-63.3-43.5178.3-69.2166.6000110.5I273 A320 I326 A327 I328I273-I324 HydrophobicContact CD1-CD1 4.19Å; A320-I324 WeakPolarHBondContact O-CB 3.29Å; A320-I324 VanDerWaalsContact O-CG1 3.25Å; A320-I324 WeakPolarHBondContact O-CG1 3.46Å; A320-I324 PolarHBondContact O-N 3.12Å; I324-I326 VanDerWaalsContact C-N 3.3Å; I324-I326 PolarHBondContact O-N 3.36Å; I324-A327 PolarHBondContact O-N 3.36Å; I324-I328 HydrophobicContact CG2-CD1 3.64Å; I324-I328 HydrophobicContact CG2-CG1 4.2Å; I324-I328 VanDerWaalsContact O-CG1 3.3Å; I324-I328 WeakPolarHBondContact O-CG1 3.38Å; I324-I328 PolarHBondContact O-N 2.95Å
325R90.9Very high84.9Confident147 Ų14771 Ų7156%0.55536%0.355SS*.Hα-helixtrans-57.8-44.2176.4178.9-178.5-71.4-178.8-2.2111.7V321 L322 R329V321-R325 VanDerWaalsContact O-CB 3.29Å; V321-R325 WeakPolarHBondContact O-CB 3.46Å; V321-R325 PolarHBondContact O-N 3.15Å; L322-R325 PolarHBondContact O-N 2.78Å; R325-R329 PolarHBondContact O-N 2.99Å; R325-R329 VanDerWaalsContact O-N 3.16Å
326I87.9Confident82.8Confident18 Ų1875.7 Ų75.79%0.09238%0.375CS..Hα-helixtrans-65.8-45.7177.7-69.2167.3000110.2F265 L322 I323 I324 I328 R329 F330 D340F265-I326 HydrophobicContact CE1-CB 4.31Å; F265-I326 HydrophobicContact CE1-CG2 3.69Å; F265-I326 HydrophobicContact CE2-CG2 4.25Å; F265-I326 HydrophobicContact CZ-CB 3.97Å; F265-I326 HydrophobicContact CZ-CG2 3.46Å; F265-I326 VanDerWaalsContact CZ-CG2 3.46Å; L322-I326 WeakPolarHBondContact O-CB 3.27Å; L322-I326 WeakPolarHBondContact O-CD1 3.05Å; L322-I326 VanDerWaalsContact O-CG1 3.22Å; L322-I326 WeakPolarHBondContact O-CG1 3.31Å; L322-I326 PolarHBondContact O-N 3.33Å; I323-I326 PolarHBondContact O-N 3.09Å; I324-I326 VanDerWaalsContact C-N 3.3Å; I324-I326 PolarHBondContact O-N 3.36Å; I326-I328 PolarHBondContact O-N 3.26Å; I326-R329 PolarHBondContact O-N 3.13Å; I326-F330 HydrophobicContact CB-CE2 4.47Å; I326-F330 HydrophobicContact CG2-CD2 4.11Å; I326-F330 HydrophobicContact CG2-CE1 4.38Å; I326-F330 HydrophobicContact CG2-CE2 3.16Å; I326-F330 HydrophobicContact CG2-CZ 3.28Å; I326-F330 VanDerWaalsContact O-CD2 3.26Å; I326-F330 WeakPolarHBondContact O-CD2 3.3Å; I326-F330 WeakPolarHBondContact O-CG 3.48Å; I326-F330 PolarHBondContact O-N 3.05Å; I326-F330 VanDerWaalsContact O-N 3.17Å; I326-D340 HydrophobicContact CD1-CB 4.04Å; I326-D340 HydrophobicContact CG1-CB 4.21Å
327A86.9Confident80.8Confident23 Ų2376.2 Ų76.219%0.1938%0.378CS..Hα-helixtrans-61.6-43.6178.600000113F265 I323 I324 R329 F330 L331F265-A327 HydrophobicContact CE1-CB 4.24Å; I323-A327 WeakPolarHBondContact O-CB 3.32Å; I323-A327 PolarHBondContact O-N 3.15Å; I324-A327 PolarHBondContact O-N 3.36Å; A327-R329 VanDerWaalsContact C-N 3.35Å; A327-R329 PolarHBondContact O-N 2.93Å; A327-F330 PolarHBondContact O-N 3.21Å; A327-L331 WeakPolarHBondContact O-CG 3.46Å; A327-L331 PolarHBondContact O-N 2.92Å; A327-L331 VanDerWaalsContact O-N 3.15Å
328I85.7Confident78.8Confident97 Ų9773.7 Ų73.750%0.49737%0.366SS..Hα-helixtrans-62.1-43.6176.2-68.7169.2000110.4I324 I326 F330 L331 T332I324-I328 HydrophobicContact CG2-CD1 3.64Å; I324-I328 HydrophobicContact CG2-CG1 4.2Å; I324-I328 VanDerWaalsContact O-CG1 3.3Å; I324-I328 WeakPolarHBondContact O-CG1 3.38Å; I324-I328 PolarHBondContact O-N 2.95Å; I326-I328 PolarHBondContact O-N 3.26Å; I328-F330 PolarHBondContact O-N 3.03Å; I328-L331 PolarHBondContact O-N 3.41Å; I328-T332 PolarHBondContact O-N 3.25Å; I328-T332 PolarHBondContact O-OG1 3.07Å; I328-T332 VanDerWaalsContact O-OG1 3.07Å
329R81.9Confident77Confident110 Ų11070.8 Ų70.842%0.41535%0.354SS..Hα-helixtrans-58.6-36.9177.9-170.5-177.1-74.2159.5-0.4111.6R325 I326 A327 N333 D340R325-R329 PolarHBondContact O-N 2.99Å; R325-R329 VanDerWaalsContact O-N 3.16Å; I326-R329 PolarHBondContact O-N 3.13Å; A327-R329 VanDerWaalsContact C-N 3.35Å; A327-R329 PolarHBondContact O-N 2.93Å; R329-N333 WeakPolarHBondContact O-CB 3.2Å; R329-N333 PolarHBondContact O-N 2.88Å; R329-D340 IonicContact CZ-OD2 2.64Å; R329-D340 IonicContact NH1-OD1 3.99Å; R329-D340 PolarHBondContact NH1-OD1 3.23Å; R329-D340 IonicContact NH1-OD2 2.97Å; R329-D340 PolarHBondContact NH1-OD2 3.15Å; R329-D340 VanDerWaalsContact NH1-OD2 3.11Å; R329-D340 IonicContact NH2-OD2 3.67Å
330F71.8Confident75Confident24 Ų2471.8 Ų71.811%0.10536%0.361CS..Hα-helixtrans-66.3-45.6175.2-61.9-38.3000113.4F265 I326 A327 I328 T332 N334 E335 K336 V337F265-F330 HydrophobicContact CD1-CD2 4.07Å; F265-F330 AromaticContact CD1-CE2 3.74Å; F265-F330 HydrophobicContact CD1-CE2 3.74Å; F265-F330 HydrophobicContact CE1-CD2 4.21Å; F265-F330 AromaticContact CE1-CE2 3.78Å; F265-F330 HydrophobicContact CE1-CE2 3.78Å; F265-F330 HydrophobicContact CG-CE2 4.39Å; F265-F330 HydrophobicContact CZ-CE2 4.46Å; I326-F330 HydrophobicContact CB-CE2 4.47Å; I326-F330 HydrophobicContact CG2-CD2 4.11Å; I326-F330 HydrophobicContact CG2-CE1 4.38Å; I326-F330 HydrophobicContact CG2-CE2 3.16Å; I326-F330 HydrophobicContact CG2-CZ 3.28Å; I326-F330 VanDerWaalsContact O-CD2 3.26Å; I326-F330 WeakPolarHBondContact O-CD2 3.3Å; I326-F330 WeakPolarHBondContact O-CG 3.48Å; I326-F330 PolarHBondContact O-N 3.05Å; I326-F330 VanDerWaalsContact O-N 3.17Å; A327-F330 PolarHBondContact O-N 3.21Å; I328-F330 PolarHBondContact O-N 3.03Å; F330-T332 VanDerWaalsContact C-N 3.29Å; F330-T332 PolarHBondContact O-N 3.47Å; F330-N334 PolarHBondContact O-N 3.22Å; F330-E335 VanDerWaalsContact CD1-O 3.28Å; F330-E335 WeakPolarHBondContact CD1-O 3.18Å; F330-K336 WeakPolarHBondContact CE1-O 3.4Å; F330-V337 HydrophobicContact CD1-CG2 4.14Å; F330-V337 HydrophobicContact CD2-CG2 4.25Å; F330-V337 HydrophobicContact CE1-CB 3.91Å; F330-V337 HydrophobicContact CE1-CG1 4.48Å; F330-V337 HydrophobicContact CE1-CG2 3.54Å; F330-V337 HydrophobicContact CE2-CB 4.29Å; F330-V337 HydrophobicContact CE2-CG1 4.2Å; F330-V337 HydrophobicContact CE2-CG2 3.56Å; F330-V337 HydrophobicContact CZ-CB 3.57Å; F330-V337 HydrophobicContact CZ-CG1 3.67Å; F330-V337 HydrophobicContact CZ-CG2 3.24Å
331L72.6Confident72.8Confident138 Ų13873.8 Ų73.872%0.72337%0.368SS*.Hα-helixtrans-66.5-33.2-178.3-67173.7000112.1A327 I328A327-L331 WeakPolarHBondContact O-CG 3.46Å; A327-L331 PolarHBondContact O-N 2.92Å; A327-L331 VanDerWaalsContact O-N 3.15Å; I328-L331 PolarHBondContact O-N 3.41Å
332T74.3Confident70.7Confident103 Ų10371 Ų7163%0.63235%0.352SS*.Hα-helixtrans-86.8-38.7-176.8-49.10000113.5I328 F330I328-T332 PolarHBondContact O-N 3.25Å; I328-T332 PolarHBondContact O-OG1 3.07Å; I328-T332 VanDerWaalsContact O-OG1 3.07Å; F330-T332 VanDerWaalsContact C-N 3.29Å; F330-T332 PolarHBondContact O-N 3.47Å
333N62.5Low68.8Low97 Ų9773.1 Ų73.152%0.51936%0.363SS..Hα-helixtrans-108.1-4.9-168.9-73.69000115R329 E335R329-N333 WeakPolarHBondContact O-CB 3.2Å; R329-N333 PolarHBondContact O-N 2.88Å; N333-E335 HydrophobicContact CB-CB 4.18Å; N333-E335 PolarHBondContact O-N 3Å
334N56.5Low66.9Low166 Ų16678.2 Ų78.289%0.88839%0.385SS*.  trans49.721.7-173.4-95.9-25.8000113.8F330F330-N334 PolarHBondContact O-N 3.22Å
335E55.6Low65Low136 Ų13678 Ų7864%0.63639%0.385SS*.  trans-108.7157-171.1-131.5-175.6172.200112F330 N333F330-E335 VanDerWaalsContact CD1-O 3.28Å; F330-E335 WeakPolarHBondContact CD1-O 3.18Å; N333-E335 HydrophobicContact CB-CB 4.18Å; N333-E335 PolarHBondContact O-N 3Å
336K52.8Low63.1Low119 Ų11974.2 Ų74.252%0.51737%0.373SS..  trans-37.1136.9-170.2-171.8-177.5177.9-147.40116.1F330 D338F330-K336 WeakPolarHBondContact CE1-O 3.4Å; K336-D338 VanDerWaalsContact CD-OD1 3.23Å; K336-D338 WeakPolarHBondContact CD-OD1 3.17Å; K336-D338 WeakPolarHBondContact CE-OD1 3.42Å; K336-D338 IonicContact NZ-OD1 3.58Å; K336-D338 PolarHBondContact NZ-OD1 3.1Å; K336-D338 PolarHBondContact O-N 2.85Å
337V55.4Low60.9Low12 Ų1276.8 Ų76.87%0.07339%0.39CS..  trans-6680.7160.3-177.80000109.8N253 N262 F330N253-V337 VanDerWaalsContact CG-O 3.32Å; N253-V337 PolarHBondContact ND2-O 3.35Å; N253-V337 PolarHBondContact OD1-O 2.94Å; N253-V337 VanDerWaalsContact OD1-O 3.11Å; N262-V337 WeakPolarHBondContact OD1-CG2 3.15Å; F330-V337 HydrophobicContact CD1-CG2 4.14Å; F330-V337 HydrophobicContact CD2-CG2 4.25Å; F330-V337 HydrophobicContact CE1-CB 3.91Å; F330-V337 HydrophobicContact CE1-CG1 4.48Å; F330-V337 HydrophobicContact CE1-CG2 3.54Å; F330-V337 HydrophobicContact CE2-CB 4.29Å; F330-V337 HydrophobicContact CE2-CG1 4.2Å; F330-V337 HydrophobicContact CE2-CG2 3.56Å; F330-V337 HydrophobicContact CZ-CB 3.57Å; F330-V337 HydrophobicContact CZ-CG1 3.67Å; F330-V337 HydrophobicContact CZ-CG2 3.24Å
338D55.6Low58.6Low33 Ų3378.4 Ų78.418%0.17640%0.396CS..  trans-78.8121.3158.9-77.3-27.9000107.8K336 D340 K344K336-D338 VanDerWaalsContact CD-OD1 3.23Å; K336-D338 WeakPolarHBondContact CD-OD1 3.17Å; K336-D338 WeakPolarHBondContact CE-OD1 3.42Å; K336-D338 IonicContact NZ-OD1 3.58Å; K336-D338 PolarHBondContact NZ-OD1 3.1Å; K336-D338 PolarHBondContact O-N 2.85Å; D338-D340 VanDerWaalsContact C-N 3.34Å; D338-D340 PolarHBondContact O-N 3.31Å; D338-K344 WeakPolarHBondContact OD2-CE 3.4Å; D338-K344 IonicContact OD2-NZ 3.8Å; D338-K344 PolarHBondContact OD2-NZ 3.48Å
339D57.9Low56.2Low20 Ų2080.3 Ų80.311%0.10740%0.402CS..  trans-62.796.9168.6174.83000107.4R203 R341 S342R203-D339 IonicContact CZ-OD2 3.56Å; R203-D339 IonicContact NH1-OD1 3.42Å; R203-D339 IonicContact NH1-OD2 3.56Å; R203-D339 PolarHBondContact NH1-OD2 3.37Å; R203-D339 IonicContact NH2-OD2 3.6Å; D339-R341 PolarHBondContact O-N 2.96Å; D339-R341 WeakPolarHBondContact OD1-CB 3.25Å; D339-R341 PolarHBondContact OD1-N 2.76Å; D339-S342 WeakPolarHBondContact CB-OG 3.3Å; D339-S342 WeakPolarHBondContact O-CA 3.44Å; D339-S342 WeakPolarHBondContact O-CB 3.07Å; D339-S342 PolarHBondContact O-N 2.84Å; D339-S342 PolarHBondContact O-OG 3.3Å
340D55.5Low54Low42 Ų4277.5 Ų77.523%0.22540%0.399CS..THydrogen-bonded Turntrans-58.1-22-175.4-94.6-2.2000112.3K204 I326 R329 D338 S342K204-D340 WeakPolarHBondContact CD-O 3.23Å; K204-D340 PolarHBondContact NZ-O 3.11Å; I326-D340 HydrophobicContact CD1-CB 4.04Å; I326-D340 HydrophobicContact CG1-CB 4.21Å; R329-D340 IonicContact CZ-OD2 2.64Å; R329-D340 IonicContact NH1-OD1 3.99Å; R329-D340 PolarHBondContact NH1-OD1 3.23Å; R329-D340 IonicContact NH1-OD2 2.97Å; R329-D340 PolarHBondContact NH1-OD2 3.15Å; R329-D340 VanDerWaalsContact NH1-OD2 3.11Å; R329-D340 IonicContact NH2-OD2 3.67Å; D338-D340 VanDerWaalsContact C-N 3.34Å; D338-D340 PolarHBondContact O-N 3.31Å; D340-S342 VanDerWaalsContact C-N 3.29Å
341R49.5Very low52.6Low45 Ų4579.7 Ų79.717%0.1741%0.41CS..THydrogen-bonded Turntrans-75.4-18.1173.8-57.6169.160168.33.8112.4R203 K204 D205 D339R203-R341 HydrophobicContact CB-CB 4.37Å; R203-R341 WeakPolarHBondContact CB-O 3.48Å; K204-R341 PolarHBondContact N-O 3.49Å; D205-R341 IonicContact OD1-CZ 2.88Å; D205-R341 IonicContact OD1-NE 3.02Å; D205-R341 PolarHBondContact OD1-NE 2.83Å; D205-R341 IonicContact OD1-NH2 2.82Å; D205-R341 PolarHBondContact OD1-NH2 3.29Å; D205-R341 IonicContact OD2-CZ 3.39Å; D205-R341 IonicContact OD2-NE 3.78Å; D205-R341 PolarHBondContact OD2-NE 3.16Å; D205-R341 IonicContact OD2-NH1 3.27Å; D205-R341 IonicContact OD2-NH2 3.09Å; D205-R341 PolarHBondContact OD2-NH2 3.14Å; D339-R341 PolarHBondContact O-N 2.96Å; D339-R341 WeakPolarHBondContact OD1-CB 3.25Å; D339-R341 PolarHBondContact OD1-N 2.76Å
342S50.8Low50.9Low23 Ų2381.1 Ų81.116%0.16141%0.413CS..SBendtrans-96.7147.917780.90000111.6D339 D340D339-S342 WeakPolarHBondContact CB-OG 3.3Å; D339-S342 WeakPolarHBondContact O-CA 3.44Å; D339-S342 WeakPolarHBondContact O-CB 3.07Å; D339-S342 PolarHBondContact O-N 2.84Å; D339-S342 PolarHBondContact O-OG 3.3Å; D340-S342 VanDerWaalsContact C-N 3.29Å
343D53.3Low49Very low87 Ų8783.8 Ų83.847%0.46542%0.418SS..PPolyproline II helixtrans-76.6132.1175.6-64.1-27.3000110.3K204K204-D343 WeakPolarHBondContact CE-OD1 3.48Å
344K55.2Low48.1Very low123 Ų12383.7 Ų83.754%0.53542%0.415SS..PPolyproline II helixtrans-76.2131.7178.8-63.6-166.9-175.6-149.90110.9R126 D338 E346R126-K344 VanDerWaalsContact CZ-O 3.28Å; R126-K344 PolarHBondContact NH1-O 3.38Å; R126-K344 PolarHBondContact NH2-O 3.45Å; D338-K344 WeakPolarHBondContact OD2-CE 3.4Å; D338-K344 IonicContact OD2-NZ 3.8Å; D338-K344 PolarHBondContact OD2-NZ 3.48Å; K344-E346 PolarHBondContact O-N 2.83Å
345D52.7Low47.3Very low74 Ų7483.6 Ų83.640%0.39641%0.409SS..PPolyproline II helixtrans-50.2118.3171.6-76.6-13.7000110.5R75 R126 T347R75-D345 IonicContact NH2-OD1 2.97Å; R75-D345 IonicContact NH2-OD2 2.68Å; R126-D345 VanDerWaalsContact NH1-N 3.13Å; R126-D345 IonicContact NH1-OD1 3.16Å; R126-D345 PolarHBondContact NH1-OD1 3.09Å; R126-D345 VanDerWaalsContact NH1-OD1 3.09Å; D345-T347 PolarHBondContact O-N 3.03Å
346E49.8Very low46.5Very low68 Ų6885.3 Ų85.332%0.31842%0.417SS..  trans-74.189.4167.2-71.1171.7-142.600104.5R119 R122 N123 R126 K344R119-E346 HydrophobicContact CG-CB 4.12Å; R122-E346 IonicContact CZ-OE1 3.64Å; R122-E346 IonicContact CZ-OE2 2.89Å; R122-E346 IonicContact NE-OE1 2.72Å; R122-E346 PolarHBondContact NE-OE1 2.86Å; R122-E346 IonicContact NE-OE2 2.63Å; R122-E346 PolarHBondContact NE-OE2 2.91Å; R122-E346 IonicContact NH2-OE1 2.84Å; R122-E346 IonicContact NH2-OE2 2.75Å; R122-E346 PolarHBondContact NH2-OE2 3.01Å; N123-E346 PolarHBondContact ND2-O 3.47Å; R126-E346 IonicContact NH2-OE1 3.27Å; K344-E346 PolarHBondContact O-N 2.83Å
347T42.4Very low45.8Very low72 Ų7288.2 Ų88.244%0.44243%0.432SS..  trans-59.9145.3179.535.50000110.1D345 E349D345-T347 PolarHBondContact O-N 3.03Å; T347-E349 PolarHBondContact O-N 2.85Å; T347-E349 VanDerWaalsContact O-N 3.1Å; T347-E349 PolarHBondContact OG1-OE2 3.26Å
348D39.4Very low44.8Very low58 Ų5891 Ų9131%0.3146%0.463SS..SBendtrans-75.424.7170.4-82-15.5000110.9R119 S350 E351R119-D348 IonicContact CZ-OD1 3.89Å; R119-D348 IonicContact NE-OD1 3.21Å; R119-D348 PolarHBondContact NE-OD1 3.35Å; R119-D348 IonicContact NH2-OD1 3.74Å; R119-D348 PolarHBondContact NH2-OD1 2.93Å; D348-S350 PolarHBondContact O-N 3.24Å; D348-S350 VanDerWaalsContact O-N 3.11Å; D348-E351 PolarHBondContact O-N 2.77Å
349E35.1Very low43.7Very low136 Ų13692.2 Ų92.264%0.63648%0.484SS*.G310 helixtrans-66.4-11.2-176.9-82.2164.7175.500113.5T347 E351T347-E349 PolarHBondContact O-N 2.85Å; T347-E349 VanDerWaalsContact O-N 3.1Å; T347-E349 PolarHBondContact OG1-OE2 3.26Å; E349-E351 PolarHBondContact O-N 3.08Å; E349-E351 VanDerWaalsContact O-N 3.1Å
350S35.2Very low42.6Very low51 Ų5198.5 Ų98.536%0.35752%0.518SS..G310 helixtrans-69.50.5172.267.40000114R119 D348R119-S350 PolarHBondContact NH1-OG 3.01Å; D348-S350 PolarHBondContact O-N 3.24Å; D348-S350 VanDerWaalsContact O-N 3.11Å
351E42.9Very low41.7Very low71 Ų71106.5 Ų106.533%0.33255%0.55SS.*G310 helixtrans-99.7-22.9-179-69.8179.3-156.600113.2R116 R119 D348 E349R116-E351 IonicContact CZ-OE1 3.73Å; R116-E351 IonicContact CZ-OE2 3.44Å; R116-E351 IonicContact NE-OE1 2.97Å; R116-E351 PolarHBondContact NE-OE1 2.99Å; R116-E351 IonicContact NH1-OE1 3.55Å; R116-E351 IonicContact NH2-OE1 2.81Å; R116-E351 PolarHBondContact NH2-OE1 3.44Å; R116-E351 IonicContact NH2-OE2 2.89Å; R116-E351 PolarHBondContact NH2-OE2 3.27Å; R119-E351 IonicContact NH2-OE1 3.51Å; D348-E351 PolarHBondContact O-N 2.77Å; E349-E351 PolarHBondContact O-N 3.08Å; E349-E351 VanDerWaalsContact O-N 3.1Å
352E35.5Very low40.9Very low168 Ų168113.5 Ų113.579%0.78558%0.582SS**Hα-helixtrans-87.4-30.7177.2-70.9-176.7-177.300112.8
353E35.7Very low40Very low158 Ų158121.3 Ų121.374%0.73862%0.616SS**Hα-helixtrans-78.1-26.9175.5-68.9-176.917100113.1
354E43.3Very low38.8Very low96 Ų96123.1 Ų123.145%0.44963%0.63SS.*Hα-helixtrans-87.4-19.6-178.6-76.1-166.8-161.600114.2R112 G358R112-E354 IonicContact CZ-OE2 2.74Å; R112-E354 VanDerWaalsContact CZ-OE2 3.27Å; R112-E354 IonicContact NH1-OE2 3.43Å; R112-E354 PolarHBondContact NH1-OE2 2.92Å; R112-E354 IonicContact NH2-OE1 3.63Å; R112-E354 IonicContact NH2-OE2 2.83Å; R112-E354 PolarHBondContact NH2-OE2 2.8Å; E354-G358 PolarHBondContact O-N 3.22Å
355E40.3Very low37.5Very low163 Ų163126 Ų12676%0.76264%0.643SS**Hα-helixtrans-77.5-27.2172.5-76.9-167.9176.100112.4
356E38.6Very low36.3Very low172 Ų172132.7 Ų132.780%0.80467%0.668SS**Hα-helixtrans-74.6-35.1173.7-72.8-163.7163.500112.9
357E37.2Very low35.4Very low180 Ų180136.7 Ų136.784%0.84169%0.692SS**Hα-helixtrans-76.9-19.3177.5-74.1-161.2158.800114.1
358G33.9Very low34.7Very low70 Ų70136.5 Ų136.572%0.72270%0.704SS**THydrogen-bonded Turntrans-90-10.1-178.900000115.7E354E354-G358 PolarHBondContact O-N 3.22Å
359G34.1Very low34.2Very low60 Ų60140.3 Ų140.362%0.61973%0.732SS**SBendtrans-90.6-22.6-169.100000116.4K361G359-K361 PolarHBondContact O-N 3.39Å
360D34.9Very low33.9Very low151 Ų151143 Ų14381%0.80775%0.747SS**  trans-106.374.8-167.6-154.524.6000113
361K35.8Very low33.7Very low210 Ų210149.4 Ų149.491%0.91377%0.771SS**  trans-169.163.8155.9-105163.3-158.11760111.2G359G359-K361 PolarHBondContact O-N 3.39Å
362K33.2Very low33Very low193 Ų193154.2 Ų154.284%0.83980%0.799SS**  trans-12491.6158.8-141176.1-172.8178.40110.7T364K362-T364 PolarHBondContact O-N 3.49Å
363H31Very low32.7Very low186 Ų186149.2 Ų149.286%0.86179%0.793SS**  trans-40.1117.2164.3-114.7-64.3000111
364T28.4Very low32.4Very low126 Ų126150.9 Ų150.977%0.77380%0.8SS**  trans-132.7114.1157.8-38.30000108.7K362 K366K362-T364 PolarHBondContact O-N 3.49Å; T364-K366 PolarHBondContact O-N 2.97Å
365K29.1Very low31.7Very low184 Ų184152.4 Ų152.480%0.882%0.816SS**  trans-58125.6176.2-72.4172.7171.5176.60109.9N367K365-N367 PolarHBondContact O-N 2.65Å
366K27.1Very low31.3Very low213 Ų213151.5 Ų151.593%0.92682%0.821SS**  trans-74.2105.5164-99.1179.8172.8174.80108.7T364T364-K366 PolarHBondContact O-N 2.97Å
367N29.4Very low30.8Very low153 Ų153151.5 Ų151.582%0.81882%0.821SS**  trans-89.7144.9156.3-80.3-8000108.7K365K365-N367 PolarHBondContact O-N 2.65Å
368G28.5Very low30.4Very low68 Ų68150.1 Ų150.170%0.70182%0.82SS**  trans-65.3178.9-166.400000117.1M370G368-M370 PolarHBondContact O-N 3.17Å
369P27.9Very low30.3Very low138 Ų138152.5 Ų152.590%0.89682%0.816SS**PPolyproline II helixtrans-80.4122.2-170.432.1-30.2000110.5
370M29.2Very low30.4Very low192 Ų192157.6 Ų157.695%0.94683%0.829SS**PPolyproline II helixtrans-103.6119.7162.1-96.4-174.4152.800109.3G368G368-M370 PolarHBondContact O-N 3.17Å
371Q30.8Very low30.4Very low186 Ų186158.8 Ų158.887%0.86983%0.829SS**PPolyproline II helixtrans-66.4137.1163.2-85.5171.8-40.300110.7
372N29.9Very low30.5Very low171 Ų171154.1 Ų154.191%0.91482%0.823SS**  trans178.3124.4143.3-92.1-14.7000104.6
373G27.7Very low30.6Very low63 Ų63153.6 Ų153.665%0.64982%0.821SS**  cis129.292.730.900000104.9
374H30.1Very low31.2Very low193 Ų193150.7 Ų150.789%0.89482%0.816SS**  trans-151.1120.6156.6-102.7-62.4000110.2
375T28.6Very low31.8Very low129 Ų129157.5 Ų157.579%0.79184%0.839SS**  trans-73.8131.5-178.6350000111.1
376V31.3Very low32Very low143 Ų143156.2 Ų156.287%0.86784%0.841SS**  trans-114.6102.8157.7179.50000106.9
377H28.3Very low32.2Very low172 Ų172153.2 Ų153.280%0.79684%0.837SS**  trans-70.9124.7158.3-99.5-53.3000107.8
378N29.6Very low32.4Very low151 Ų151153.2 Ų153.281%0.80784%0.838SS**  -161.1136.4120.5-155.26.9000111.4
379N31.7Very low32.6Very low121 Ų121158.2 Ų158.265%0.64785%0.846SS**  trans-71146.9177.1-70.5-34000111.1
380N35.7Very low32.9Very low167 Ų167159.5 Ų159.589%0.89384%0.843SS**  -158.1123.1124.7-100.7-11.8000112
381H35.7Very low33.1Very low176 Ų176157.3 Ų157.382%0.81584%0.836SS**  trans-57.5140.7165-93.4-88.2000111.8
382S36.5Very low33.3Very low111 Ų111155.3 Ų155.378%0.77683%0.834SS**  178.5126.69471.70000112.9
383K36.7Very low33.6Very low183 Ų183154.1 Ų154.180%0.79683%0.827SS**  trans-3.2122.8150.4-77.7-179177.2-177.50117.8
384T42.8Very low34.1Very low125 Ų125161.7 Ų161.777%0.76784%0.842SS**  48.3111.999.154.30000114.8
385E41.9Very low34.4Very low269 Ų269158.8 Ų158.8100%1.25784%0.838SS**  -132.3097.1-90.3-176.5165.600109.8

Retrieved 385 of 385 residues in 170 ms (Link to these results)

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