G4VPJ8_SCHMA Loading...

Gamma-tubulin complex component

AlphaFold DB , UniProt , Accession G4VPJ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 745 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
1M72.9Confident80.2Confident77 Ų7743.4 Ų43.438%0.37922%0.216SC..  0-50.50-150.4168.788.500112.3H3 E4 L5 I16 F17 L42 V45 Y53M1-H3 PolarHBondContact O-N 3.15Å; M1-E4 PolarHBondContact O-N 3.35Å; M1-E4 VanDerWaalsContact O-N 3.11Å; M1-L5 PolarHBondContact O-N 3.41Å; M1-I16 HydrophobicContact CB-CD1 4.35Å; M1-I16 HydrophobicContact CG-CD1 3.9Å; M1-I16 HydrophobicContact CG-CG2 4.44Å; M1-F17 HydrophobicContact CG-CZ 4.49Å; M1-L42 HydrophobicContact SD-CD1 4.15Å; M1-V45 HydrophobicContact CE-CG2 3.55Å; M1-V45 HydrophobicContact SD-CG2 3.89Å; M1-Y53 HydrophobicContact CE-CD2 4.28Å; M1-Y53 HydrophobicContact CE-CE1 3.74Å; M1-Y53 HydrophobicContact CE-CE2 3.36Å; M1-Y53 WeakPolarHBondContact CE-OH 3.41Å
2L76.3Confident80.1Confident44 Ų4447.1 Ų47.123%0.2324%0.236CC..Hα-helixtrans-59.9-41.1178.5-63.2174.7000113.8E4 L5 L6 L107 V115 I118L2-E4 VanDerWaalsContact C-N 3.32Å; L2-E4 PolarHBondContact O-N 2.98Å; L2-L5 WeakPolarHBondContact O-CB 3.44Å; L2-L5 PolarHBondContact O-N 3.01Å; L2-L5 VanDerWaalsContact O-N 3.14Å; L2-L6 PolarHBondContact O-N 3.05Å; L2-L107 HydrophobicContact CD1-CD2 4.06Å; L2-V115 HydrophobicContact CD2-CG2 3.86Å; L2-I118 HydrophobicContact CD2-CD1 4.03Å
3H80.6Confident79.7Confident100 Ų10048.8 Ų48.846%0.46326%0.255SS..Hα-helixtrans-62.4-36.9173.1-67.7-64.7000113.1M1 L5 L6 L7M1-H3 PolarHBondContact O-N 3.15Å; H3-L5 VanDerWaalsContact C-N 3.33Å; H3-L6 PolarHBondContact O-N 3.42Å; H3-L7 WeakPolarHBondContact O-CG 3.03Å; H3-L7 PolarHBondContact O-N 3.48Å
4E80.9Confident79.1Confident54 Ų5446.9 Ų46.925%0.25225%0.254SS..Hα-helixtrans-70.4-31.4173.8-71.2-165.1-142.400112.4M1 L2 L7 A8 G15 I16 F17M1-E4 PolarHBondContact O-N 3.35Å; M1-E4 VanDerWaalsContact O-N 3.11Å; L2-E4 VanDerWaalsContact C-N 3.32Å; L2-E4 PolarHBondContact O-N 2.98Å; E4-L7 PolarHBondContact O-N 2.89Å; E4-A8 WeakPolarHBondContact O-CB 3.25Å; E4-A8 PolarHBondContact O-N 2.8Å; E4-G15 WeakPolarHBondContact OE2-CA 3.34Å; E4-G15 PolarHBondContact OE2-N 3.48Å; E4-I16 HydrophobicContact CG-CD1 4.4Å; E4-I16 WeakPolarHBondContact OE1-CD1 3.36Å; E4-I16 VanDerWaalsContact OE2-CB 3.25Å; E4-I16 WeakPolarHBondContact OE2-CB 3.4Å; E4-I16 WeakPolarHBondContact OE2-CG1 3.29Å; E4-I16 PolarHBondContact OE2-N 3.02Å; E4-F17 HydrophobicContact CB-CD2 4.26Å; E4-F17 HydrophobicContact CB-CE2 4.36Å
5L80.2Confident78.5Confident0 Ų047.5 Ų47.50%028%0.275CS..Hα-helixtrans-65.2-42.1171176.565.3000110.9M1 L2 H3 L7 A8 L9 F17 Y53 L56 L57 V115 I118M1-L5 PolarHBondContact O-N 3.41Å; L2-L5 WeakPolarHBondContact O-CB 3.44Å; L2-L5 PolarHBondContact O-N 3.01Å; L2-L5 VanDerWaalsContact O-N 3.14Å; H3-L5 VanDerWaalsContact C-N 3.33Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.33Å; L5-A8 PolarHBondContact O-N 3.18Å; L5-L9 HydrophobicContact CD1-CG 4.43Å; L5-L9 HydrophobicContact CG-CD1 4.15Å; L5-L9 HydrophobicContact CG-CG 4.48Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.26Å; L5-L9 PolarHBondContact O-N 3.36Å; L5-F17 HydrophobicContact CB-CE2 3.91Å; L5-F17 HydrophobicContact CB-CZ 4.43Å; L5-F17 HydrophobicContact CD1-CE2 4.36Å; L5-F17 HydrophobicContact CD1-CZ 4.37Å; L5-Y53 HydrophobicContact CB-CE1 4.37Å; L5-Y53 HydrophobicContact CD1-CD1 3.96Å; L5-Y53 HydrophobicContact CD1-CE1 4.39Å; L5-Y53 HydrophobicContact CD2-CD1 3.83Å; L5-Y53 HydrophobicContact CD2-CE1 3.57Å; L5-Y53 HydrophobicContact CG-CD1 4.36Å; L5-Y53 HydrophobicContact CG-CE1 4.3Å; L5-L56 HydrophobicContact CD1-CB 4.28Å; L5-L56 HydrophobicContact CD2-CD1 3.86Å; L5-L57 HydrophobicContact CD1-CD2 4.25Å; L5-V115 HydrophobicContact CD2-CG1 4.46Å; L5-I118 HydrophobicContact CD2-CD1 3.98Å
6L82.5Confident77.7Confident18 Ų1847 Ų479%0.09427%0.27CS..Hα-helixtrans-61.6-41.7174.6-69.5175.9000111.9L2 H3 A8 L9 H10 L103 E104 L107L2-L6 PolarHBondContact O-N 3.05Å; H3-L6 PolarHBondContact O-N 3.42Å; L6-A8 VanDerWaalsContact C-N 3.35Å; L6-L9 HydrophobicContact CD2-CD1 4.42Å; L6-L9 WeakPolarHBondContact O-CB 3.31Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-H10 PolarHBondContact O-N 3.01Å; L6-L103 HydrophobicContact CD2-CB 4.38Å; L6-E104 HydrophobicContact CD1-CB 4.03Å; L6-E104 HydrophobicContact CD1-CG 4.2Å; L6-L107 HydrophobicContact CD1-CD1 3.74Å; L6-L107 HydrophobicContact CD2-CD1 4.14Å; L6-L107 HydrophobicContact CG-CD1 4.14Å
7L82.4Confident77.2Confident84 Ų8444.2 Ų44.244%0.4426%0.255SS..Hα-helixtrans-61.1-43.6173.6-70.2171.2000111.6H3 E4 L5 L9 H10 G11 I12H3-L7 WeakPolarHBondContact O-CG 3.03Å; H3-L7 PolarHBondContact O-N 3.48Å; E4-L7 PolarHBondContact O-N 2.89Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 3.33Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 2.85Å; L7-H10 CarbonylContact O-C 3.43Å; L7-H10 WeakPolarHBondContact O-CA 3.46Å; L7-H10 WeakPolarHBondContact O-CB 3.31Å; L7-H10 PolarHBondContact O-N 2.73Å; L7-H10 VanDerWaalsContact O-N 3.12Å; L7-G11 PolarHBondContact O-N 2.8Å; L7-I12 CarbonylContact C-O 3.58Å; L7-I12 PolarHBondContact O-N 3.21Å
8A81.2Confident77.1Confident0 Ų045.3 Ų45.30%026%0.262CS..Hα-helixtrans-64.3-36.4175.400000112.4E4 L5 L6 H10 G11 I12 F17 L35 L57 G60E4-A8 WeakPolarHBondContact O-CB 3.25Å; E4-A8 PolarHBondContact O-N 2.8Å; L5-A8 PolarHBondContact O-N 3.18Å; L6-A8 VanDerWaalsContact C-N 3.35Å; A8-H10 PolarHBondContact O-N 2.86Å; A8-G11 WeakPolarHBondContact O-CA 3.4Å; A8-G11 PolarHBondContact O-N 3.32Å; A8-I12 WeakPolarHBondContact CA-O 3.46Å; A8-I12 PolarHBondContact N-O 3.34Å; A8-F17 HydrophobicContact CB-CB 4.04Å; A8-F17 HydrophobicContact CB-CD2 4.13Å; A8-F17 HydrophobicContact CB-CG 4.29Å; A8-L35 HydrophobicContact CB-CD1 4.35Å; A8-L35 VanDerWaalsContact O-CD1 3.23Å; A8-L35 WeakPolarHBondContact O-CD1 2.94Å; A8-L57 HydrophobicContact CB-CD2 3.81Å; A8-G60 WeakPolarHBondContact O-CA 3.35Å
9L83Confident76.4Confident0 Ų046.4 Ų46.40%026%0.264CS..Hα-helixtrans-67.2-24.4174-74.8169.3000113L5 L6 L7 L56 L59 Y96 L100 I118 L122L5-L9 HydrophobicContact CD1-CG 4.43Å; L5-L9 HydrophobicContact CG-CD1 4.15Å; L5-L9 HydrophobicContact CG-CG 4.48Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.26Å; L5-L9 PolarHBondContact O-N 3.36Å; L6-L9 HydrophobicContact CD2-CD1 4.42Å; L6-L9 WeakPolarHBondContact O-CB 3.31Å; L6-L9 PolarHBondContact O-N 3.44Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 2.85Å; L9-L56 HydrophobicContact CD2-CB 4.23Å; L9-L56 WeakPolarHBondContact CD2-O 3.08Å; L9-L59 HydrophobicContact CD2-CB 4.19Å; L9-Y96 PolarHBondContact O-OH 3.34Å; L9-L100 HydrophobicContact CB-CD1 4.34Å; L9-L100 HydrophobicContact CB-CD2 3.95Å; L9-L100 HydrophobicContact CD1-CD2 4.07Å; L9-I118 HydrophobicContact CD1-CG2 4.01Å; L9-L122 HydrophobicContact CD1-CD1 3.74Å; L9-L122 HydrophobicContact CD2-CD1 4.11Å
10H83Confident75.9Confident90 Ų9045.3 Ų45.342%0.41726%0.26SS..THydrogen-bonded Turntrans-82.43.4169-15778.3000113L6 L7 A8 I12 Y63L6-H10 PolarHBondContact O-N 3.01Å; L7-H10 CarbonylContact O-C 3.43Å; L7-H10 WeakPolarHBondContact O-CA 3.46Å; L7-H10 WeakPolarHBondContact O-CB 3.31Å; L7-H10 PolarHBondContact O-N 2.73Å; L7-H10 VanDerWaalsContact O-N 3.12Å; A8-H10 PolarHBondContact O-N 2.86Å; H10-I12 VanDerWaalsContact C-N 3.31Å; H10-I12 PolarHBondContact O-N 3.34Å; H10-Y63 VanDerWaalsContact O-CE1 3.28Å; H10-Y63 WeakPolarHBondContact O-CE1 3.49Å
11G79.3Confident75Confident10 Ų1049 Ų4910%0.10328%0.278CS..THydrogen-bonded Turntrans80.75.2-179.800000114.8L7 A8L7-G11 PolarHBondContact O-N 2.8Å; A8-G11 WeakPolarHBondContact O-CA 3.4Å; A8-G11 PolarHBondContact O-N 3.32Å
12I78.9Confident74Confident88 Ų8853 Ų5345%0.45129%0.294SS..  trans-91.7124.9179.1-57.8173.5000109L7 A8 H10 G14L7-I12 CarbonylContact C-O 3.58Å; L7-I12 PolarHBondContact O-N 3.21Å; A8-I12 WeakPolarHBondContact CA-O 3.46Å; A8-I12 PolarHBondContact N-O 3.34Å; H10-I12 VanDerWaalsContact C-N 3.31Å; H10-I12 PolarHBondContact O-N 3.34Å; I12-G14 PolarHBondContact O-N 3.41Å
13S75.2Confident72.7Confident69 Ų6955.8 Ų55.848%0.48331%0.313SS..  trans-65.7131174.757.30000111
14G71.6Confident71.1Confident23 Ų2355.6 Ų55.624%0.23731%0.312CS..  trans-104.1-165.1179.500000113.3I12 F17I12-G14 PolarHBondContact O-N 3.41Å; G14-F17 PolarHBondContact N-O 3.14Å
15G69.8Low69.5Low56 Ų5662.7 Ų62.758%0.57735%0.345SS*.SBendtrans-88.1-13.4177.300000114.3E4 I38E4-G15 WeakPolarHBondContact OE2-CA 3.34Å; E4-G15 PolarHBondContact OE2-N 3.48Å; G15-I38 WeakPolarHBondContact O-CD1 3.46Å
16I65Low67.8Low39 Ų3969.6 Ų69.620%0.238%0.382CS..SBendtrans-114-30.2178.9-61.5166000111.6M1 E4 I38 L42M1-I16 HydrophobicContact CB-CD1 4.35Å; M1-I16 HydrophobicContact CG-CD1 3.9Å; M1-I16 HydrophobicContact CG-CG2 4.44Å; E4-I16 HydrophobicContact CG-CD1 4.4Å; E4-I16 WeakPolarHBondContact OE1-CD1 3.36Å; E4-I16 VanDerWaalsContact OE2-CB 3.25Å; E4-I16 WeakPolarHBondContact OE2-CB 3.4Å; E4-I16 WeakPolarHBondContact OE2-CG1 3.29Å; E4-I16 PolarHBondContact OE2-N 3.02Å; I16-I38 WeakPolarHBondContact O-CG1 3.35Å; I16-I38 PolarHBondContact O-N 2.95Å; I16-L42 HydrophobicContact CG2-CD1 4.48Å; I16-L42 HydrophobicContact CG2-CD2 4.1Å
17F70.3Confident66.3Low0 Ų070.5 Ų70.50%039%0.387CS..EExtended strand (participates in β ladder)trans-114.9110.9178.8-55.7-68.4000109.1M1 E4 L5 A8 G14 P37 Y53 L57M1-F17 HydrophobicContact CG-CZ 4.49Å; E4-F17 HydrophobicContact CB-CD2 4.26Å; E4-F17 HydrophobicContact CB-CE2 4.36Å; L5-F17 HydrophobicContact CB-CE2 3.91Å; L5-F17 HydrophobicContact CB-CZ 4.43Å; L5-F17 HydrophobicContact CD1-CE2 4.36Å; L5-F17 HydrophobicContact CD1-CZ 4.37Å; A8-F17 HydrophobicContact CB-CB 4.04Å; A8-F17 HydrophobicContact CB-CD2 4.13Å; A8-F17 HydrophobicContact CB-CG 4.29Å; G14-F17 PolarHBondContact N-O 3.14Å; F17-P37 HydrophobicContact CD1-CB 4.17Å; F17-P37 HydrophobicContact CE1-CB 4.28Å; F17-Y53 HydrophobicContact CE1-CD1 4.38Å; F17-Y53 AromaticContact CZ-CD1 3.9Å; F17-Y53 HydrophobicContact CZ-CD1 3.9Å; F17-Y53 HydrophobicContact CZ-CE1 4.19Å; F17-L57 HydrophobicContact CB-CD2 4.09Å; F17-L57 HydrophobicContact CD1-CD1 3.6Å; F17-L57 HydrophobicContact CD1-CD2 3.72Å; F17-L57 HydrophobicContact CD1-CG 4.23Å; F17-L57 HydrophobicContact CE1-CD1 3.85Å; F17-L57 HydrophobicContact CE1-CD2 4.26Å; F17-L57 HydrophobicContact CE1-CG 4.47Å; F17-L57 HydrophobicContact CG-CD2 3.85Å
18V74.2Confident65.3Low63 Ų6373.4 Ų73.438%0.38240%0.403SS..EExtended strand (participates in β ladder)trans-115.7148.1-172.7173.20000109.7I36 I38V18-I36 PolarHBondContact N-O 3.02Å; V18-I36 PolarHBondContact O-N 3.28Å; V18-I38 HydrophobicContact CB-CG1 3.91Å; V18-I38 HydrophobicContact CG2-CD1 3.51Å; V18-I38 HydrophobicContact CG2-CG1 3.35Å
19Q65.1Low64.1Low66 Ų6674.8 Ų74.831%0.30841%0.41SS..EExtended strand (participates in β ladder)trans-69.2130.2174-179.7177-29.100110.3Q33Q19-Q33 HydrophobicContact CG-CB 4.38Å
20S65.1Low63Low25 Ų2576.4 Ų76.418%0.17543%0.427CS..EExtended strand (participates in β ladder)trans-121.6138.6170.192.30000110.6K22 H34 I36S20-K22 PolarHBondContact O-N 3.49Å; S20-H34 PolarHBondContact N-O 3.05Å; S20-H34 PolarHBondContact O-N 3.01Å; S20-I36 WeakPolarHBondContact OG-CD1 3.5Å; S20-I36 WeakPolarHBondContact OG-CG1 3.42Å
21D57.3Low61.8Low122 Ų12272.5 Ų72.565%0.65241%0.409SS*.  trans-8814.5173.6-54.4-31.6000111.8T23D21-T23 PolarHBondContact O-N 3.37Å
22K51.7Low60.8Low163 Ų16378.2 Ų78.271%0.70944%0.437SS*.  trans-85.6110.1178.5-68.4-174.9-179.1178.50108.4S20 E24S20-K22 PolarHBondContact O-N 3.49Å; K22-E24 PolarHBondContact O-N 3.29Å; K22-E24 VanDerWaalsContact O-N 3.08Å
23T49.3Very low59.9Low101 Ų10177.1 Ų77.162%0.6243%0.43SS*.  trans-57.6108.6165.648.80000108.5D21D21-T23 PolarHBondContact O-N 3.37Å
24E46.8Very low59.5Low96 Ų9674.5 Ų74.545%0.44941%0.41SS..  trans-65.3141.2167.2-67.8-168.315700108.6K22 D26 D27 I36K22-E24 PolarHBondContact O-N 3.29Å; K22-E24 VanDerWaalsContact O-N 3.08Å; E24-D26 PolarHBondContact O-N 3Å; E24-D27 WeakPolarHBondContact O-CB 3.29Å; E24-D27 PolarHBondContact O-N 2.98Å; E24-I36 HydrophobicContact CG-CD1 4.46Å
25E48.1Very low59Low203 Ų20373.9 Ų73.995%0.94940%0.401SS*.THydrogen-bonded Turntrans-63.2-13.5-176.1-66.2-179.6162.600113.6
26D44.5Very low58.9Low146 Ų14672.7 Ų72.778%0.78138%0.381SS*.THydrogen-bonded Turntrans-10426.1-177.7-81.4-22.5000113.8E24 D28E24-D26 PolarHBondContact O-N 3Å; D26-D28 PolarHBondContact O-N 2.98Å; D26-D28 VanDerWaalsContact O-N 3.13Å
27D51.4Low58.7Low37 Ų3772.3 Ų72.320%0.19838%0.381CS..  trans-87.384.5-173.5-149.244.4000114.1E24 L29 G30 L31 H34E24-D27 WeakPolarHBondContact O-CB 3.29Å; E24-D27 PolarHBondContact O-N 2.98Å; D27-L29 PolarHBondContact O-N 3.18Å; D27-G30 PolarHBondContact O-N 3.37Å; D27-G30 VanDerWaalsContact OD2-CA 3.27Å; D27-G30 WeakPolarHBondContact OD2-CA 3.38Å; D27-G30 PolarHBondContact OD2-N 3.49Å; D27-L31 PolarHBondContact OD2-N 2.89Å; D27-H34 VanDerWaalsContact CG-NE2 3.26Å; D27-H34 IonicContact OD1-CE1 2.72Å; D27-H34 PolarHBondContact OD1-CE1 3.27Å; D27-H34 IonicContact OD1-NE2 3.82Å; D27-H34 PolarHBondContact OD1-NE2 3.05Å; D27-H34 IonicContact OD2-CE1 3.1Å; D27-H34 PolarHBondContact OD2-CE1 2.92Å; D27-H34 IonicContact OD2-NE2 2.61Å; D27-H34 PolarHBondContact OD2-NE2 2.83Å; D27-H34 VanDerWaalsContact OD2-NE2 3.15Å
28D59.5Low58.2Low145 Ų14577.4 Ų77.478%0.77541%0.407SS*.THydrogen-bonded Turntrans-60.5-9.2173.2-103.4-0.9000114.2D26 K134D26-D28 PolarHBondContact O-N 2.98Å; D26-D28 VanDerWaalsContact O-N 3.13Å; D28-K134 WeakPolarHBondContact O-CE 3.38Å
29L57.9Low57.5Low29 Ų2976.7 Ų76.715%0.15241%0.405CS..THydrogen-bonded Turntrans-105.2-22.4-179.3-68.2164000112.8D27 L31 P130 V133 K134 K137D27-L29 PolarHBondContact O-N 3.18Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 HydrophobicContact CB-CD1 4.36Å; L29-L31 HydrophobicContact CB-CG 4.21Å; L29-L31 PolarHBondContact O-N 2.9Å; L29-P130 HydrophobicContact CD1-CB 4.26Å; L29-P130 HydrophobicContact CD2-CB 3.79Å; L29-V133 HydrophobicContact CD2-CB 4.43Å; L29-V133 HydrophobicContact CD2-CG1 4.27Å; L29-K134 HydrophobicContact CD2-CD 4.44Å; L29-K134 HydrophobicContact CD2-CG 4.02Å; L29-K137 PolarHBondContact O-NZ 3.49Å
30G58.6Low57.1Low33 Ų3379.7 Ų79.734%0.3442%0.424SS..  trans56.839.4-178.700000113.8D27 K137D27-G30 PolarHBondContact O-N 3.37Å; D27-G30 VanDerWaalsContact OD2-CA 3.27Å; D27-G30 WeakPolarHBondContact OD2-CA 3.38Å; D27-G30 PolarHBondContact OD2-N 3.49Å; G30-K137 PolarHBondContact O-NZ 3.03Å
31L58.8Low56.6Low8 Ų884.6 Ų84.64%0.04245%0.448CS..  trans-79139.5176.7-68.3172.2000109.3D27 L29 Q33 H34 T61 Y65 V133D27-L31 PolarHBondContact OD2-N 2.89Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 HydrophobicContact CB-CD1 4.36Å; L29-L31 HydrophobicContact CB-CG 4.21Å; L29-L31 PolarHBondContact O-N 2.9Å; L31-Q33 VanDerWaalsContact C-N 3.3Å; L31-Q33 PolarHBondContact O-N 3.25Å; L31-H34 PolarHBondContact O-NE2 3.49Å; L31-T61 HydrophobicContact CD1-CG2 3.89Å; L31-Y65 HydrophobicContact CD2-CD1 3.95Å; L31-Y65 HydrophobicContact CD2-CD2 3.68Å; L31-Y65 HydrophobicContact CD2-CE1 4.35Å; L31-Y65 HydrophobicContact CD2-CE2 4.14Å; L31-Y65 HydrophobicContact CD2-CG 3.57Å; L31-V133 HydrophobicContact CD1-CG1 4.24Å; L31-V133 HydrophobicContact CD2-CG1 3.78Å; L31-V133 HydrophobicContact CG-CG1 4.24Å
32D57.4Low56.8Low130 Ų13080.1 Ų80.170%0.69542%0.424SS*.SBendtrans-76.5-21.1-178.5-66.4-31.9000112.7
33Q61.3Low57.2Low66 Ų6677.5 Ų77.531%0.30842%0.423SS..  trans-124.2124.7-174.5-60.6178.41100109.4Q19 L31 T61Q19-Q33 HydrophobicContact CG-CB 4.38Å; L31-Q33 VanDerWaalsContact C-N 3.3Å; L31-Q33 PolarHBondContact O-N 3.25Å; Q33-T61 WeakPolarHBondContact O-CG2 3.45Å
34H64.9Low58Low13 Ų1382 Ų826%0.0643%0.434CS..EExtended strand (participates in β ladder)trans-119.2139.3173.8-67.2-73.5000111.4S20 D27 L31 I36S20-H34 PolarHBondContact N-O 3.05Å; S20-H34 PolarHBondContact O-N 3.01Å; D27-H34 VanDerWaalsContact CG-NE2 3.26Å; D27-H34 IonicContact OD1-CE1 2.72Å; D27-H34 PolarHBondContact OD1-CE1 3.27Å; D27-H34 IonicContact OD1-NE2 3.82Å; D27-H34 PolarHBondContact OD1-NE2 3.05Å; D27-H34 IonicContact OD2-CE1 3.1Å; D27-H34 PolarHBondContact OD2-CE1 2.92Å; D27-H34 IonicContact OD2-NE2 2.61Å; D27-H34 PolarHBondContact OD2-NE2 2.83Å; D27-H34 VanDerWaalsContact OD2-NE2 3.15Å; L31-H34 PolarHBondContact O-NE2 3.49Å; H34-I36 HydrophobicContact CB-CD1 4.34Å; H34-I36 HydrophobicContact CB-CG1 4.02Å; H34-I36 PolarHBondContact O-N 2.89Å
35L62.4Low59Low11 Ų1178.2 Ų78.26%0.05842%0.418CS..EExtended strand (participates in β ladder)trans-79.2113166.2-67.8170.7000108.8A8 L57 T61A8-L35 HydrophobicContact CB-CD1 4.35Å; A8-L35 VanDerWaalsContact O-CD1 3.23Å; A8-L35 WeakPolarHBondContact O-CD1 2.94Å; L35-L57 HydrophobicContact CB-CB 4.4Å; L35-L57 HydrophobicContact CB-CD2 4.14Å; L35-T61 PolarHBondContact N-OG1 3.14Å; L35-T61 VanDerWaalsContact N-OG1 3.11Å
36I67.2Low60.1Low31 Ų3171.9 Ų71.916%0.15940%0.395CS..EExtended strand (participates in β ladder)trans-119.5143-179.8-53.9-168000108.6V18 S20 E24 H34V18-I36 PolarHBondContact N-O 3.02Å; V18-I36 PolarHBondContact O-N 3.28Å; S20-I36 WeakPolarHBondContact OG-CD1 3.5Å; S20-I36 WeakPolarHBondContact OG-CG1 3.42Å; E24-I36 HydrophobicContact CG-CD1 4.46Å; H34-I36 HydrophobicContact CB-CD1 4.34Å; H34-I36 HydrophobicContact CB-CG1 4.02Å; H34-I36 PolarHBondContact O-N 2.89Å
37P61.9Low61.2Low30 Ų3072.3 Ų72.320%0.19539%0.392CS..EExtended strand (participates in β ladder)trans-58.7141.7167.826-35.4000110.8F17 S39F17-P37 HydrophobicContact CD1-CB 4.17Å; F17-P37 HydrophobicContact CE1-CB 4.28Å; P37-S39 PolarHBondContact O-N 3.34Å
38I59Low62.1Low107 Ų10773.1 Ų73.155%0.54941%0.409SS..SBendtrans-55.5-30.2-179.6-69.5171.4000112.7G15 I16 V18G15-I38 WeakPolarHBondContact O-CD1 3.46Å; I16-I38 WeakPolarHBondContact O-CG1 3.35Å; I16-I38 PolarHBondContact O-N 2.95Å; V18-I38 HydrophobicContact CB-CG1 3.91Å; V18-I38 HydrophobicContact CG2-CD1 3.51Å; V18-I38 HydrophobicContact CG2-CG1 3.35Å
39S58.4Low63Low48 Ų4869.6 Ų69.634%0.33639%0.388SS..  trans-135.6126.6177.8610000111.1P37 N41P37-S39 PolarHBondContact O-N 3.34Å; S39-N41 PolarHBondContact O-N 2.98Å; S39-N41 VanDerWaalsContact O-N 3.1Å
40N57.3Low63.8Low130 Ų13069.9 Ų69.970%0.69539%0.389SS*.SBendtrans-56.1-26.4176.7-64.95.6000113.5
41N54.8Low64.9Low127 Ų12772.6 Ų72.668%0.67940%0.399SS*.SBendtrans-11581.9175.8-66-14.2000109S39 P43S39-N41 PolarHBondContact O-N 2.98Å; S39-N41 VanDerWaalsContact O-N 3.1Å; N41-P43 WeakPolarHBondContact O-CD 3.42Å
42L61.8Low65.8Low28 Ų2874.3 Ų74.315%0.14741%0.408CS..  trans-63.7113.7164.5-73.2163.1000107.2M1 I16 F44 V45 L50M1-L42 HydrophobicContact SD-CD1 4.15Å; I16-L42 HydrophobicContact CG2-CD1 4.48Å; I16-L42 HydrophobicContact CG2-CD2 4.1Å; L42-F44 PolarHBondContact O-N 3.48Å; L42-V45 HydrophobicContact CB-CB 4.08Å; L42-V45 HydrophobicContact CB-CG2 3.66Å; L42-V45 HydrophobicContact CD1-CG2 4.06Å; L42-V45 HydrophobicContact CG-CG2 4.48Å; L42-V45 PolarHBondContact O-N 3.37Å; L42-L50 HydrophobicContact CB-CD2 4.39Å; L42-L50 HydrophobicContact CD1-CD2 4.21Å
43P60.2Low67Low108 Ų10868.7 Ų68.770%0.70138%0.377SS*.THydrogen-bonded Turntrans-65-11.9-168.621.9-31.2000114.5N41N41-P43 WeakPolarHBondContact O-CD 3.42Å
44F65.6Low67.8Low195 Ų19568 Ų6886%0.85538%0.382SS*.THydrogen-bonded Turntrans-110.25.8-175.4-55.9-71.6000114.1L42L42-F44 PolarHBondContact O-N 3.48Å
45V67.9Low68.6Low18 Ų1870.5 Ų70.511%0.10939%0.394CS..SBendtrans-117.4125.4-172.5-175.30000110.4M1 L42 E49 L50 Y53M1-V45 HydrophobicContact CE-CG2 3.55Å; M1-V45 HydrophobicContact SD-CG2 3.89Å; L42-V45 HydrophobicContact CB-CB 4.08Å; L42-V45 HydrophobicContact CB-CG2 3.66Å; L42-V45 HydrophobicContact CD1-CG2 4.06Å; L42-V45 HydrophobicContact CG-CG2 4.48Å; L42-V45 PolarHBondContact O-N 3.37Å; V45-E49 HydrophobicContact CG1-CB 3.64Å; V45-L50 HydrophobicContact CB-CD2 4.01Å; V45-L50 HydrophobicContact CB-CG 4.38Å; V45-L50 HydrophobicContact CG1-CD2 3.78Å; V45-L50 HydrophobicContact CG1-CG 3.98Å; V45-Y53 HydrophobicContact CG1-CD2 4.02Å; V45-Y53 HydrophobicContact CG1-CE2 3.7Å
46P71.5Confident69.7Low70 Ų7070.1 Ų70.146%0.45539%0.392SS..  trans-65.8145.9176.225.7-31.6000111.6G48 E49 L50P46-G48 PolarHBondContact O-N 2.92Å; P46-E49 HydrophobicContact CG-CB 4.15Å; P46-E49 HydrophobicContact CG-CG 3.83Å; P46-E49 WeakPolarHBondContact O-CB 3.36Å; P46-E49 PolarHBondContact O-N 2.94Å; P46-L50 PolarHBondContact O-N 3.46Å
47H68.2Low70.4Confident155 Ų15568.9 Ų68.972%0.71839%0.386SS*.Hα-helixtrans-53.1-33.7-176.4-65.984.9000114.2E49 L50 V51H47-E49 VanDerWaalsContact C-N 3.34Å; H47-E49 PolarHBondContact O-N 3.44Å; H47-L50 PolarHBondContact O-N 3.44Å; H47-V51 PolarHBondContact O-N 2.92Å
48G69.3Low71.4Confident54 Ų5472.3 Ų72.356%0.55740%0.398SS*.Hα-helixtrans-66.2-32.9176.500000113.7P46P46-G48 PolarHBondContact O-N 2.92Å
49E77.8Confident72.6Confident71 Ų7167.6 Ų67.633%0.33237%0.373SS..Hα-helixtrans-75.2-34.7174.1-74.4179.9-162.200111.6V45 P46 H47 V51 L52 Y53 V115V45-E49 HydrophobicContact CG1-CB 3.64Å; P46-E49 HydrophobicContact CG-CB 4.15Å; P46-E49 HydrophobicContact CG-CG 3.83Å; P46-E49 WeakPolarHBondContact O-CB 3.36Å; P46-E49 PolarHBondContact O-N 2.94Å; H47-E49 VanDerWaalsContact C-N 3.34Å; H47-E49 PolarHBondContact O-N 3.44Å; E49-V51 VanDerWaalsContact C-N 3.25Å; E49-V51 PolarHBondContact O-N 3.37Å; E49-L52 CarbonylContact O-C 3.59Å; E49-L52 WeakPolarHBondContact O-CB 3.4Å; E49-L52 PolarHBondContact O-N 2.95Å; E49-Y53 HydrophobicContact CB-CD2 4.15Å; E49-Y53 HydrophobicContact CB-CE2 3.86Å; E49-Y53 WeakPolarHBondContact O-CD2 3.46Å; E49-Y53 PolarHBondContact O-N 2.76Å; E49-V115 HydrophobicContact CG-CG2 4.45Å
50L76.6Confident73.8Confident35 Ų3565.3 Ų65.318%0.18336%0.357CS..Hα-helixtrans-57.9-37.9176.7-68.5176.6000112.4L42 V45 P46 H47 Y53 A54L42-L50 HydrophobicContact CB-CD2 4.39Å; L42-L50 HydrophobicContact CD1-CD2 4.21Å; V45-L50 HydrophobicContact CB-CD2 4.01Å; V45-L50 HydrophobicContact CB-CG 4.38Å; V45-L50 HydrophobicContact CG1-CD2 3.78Å; V45-L50 HydrophobicContact CG1-CG 3.98Å; P46-L50 PolarHBondContact O-N 3.46Å; H47-L50 PolarHBondContact O-N 3.44Å; L50-Y53 PolarHBondContact O-N 3.42Å; L50-A54 PolarHBondContact O-N 3.2Å
51V80Confident75.1Confident89 Ų8959.4 Ų59.454%0.53933%0.326SS..Hα-helixtrans-64.3-44.5174.6178.90000110.8H47 E49 Y53 A54 E55H47-V51 PolarHBondContact O-N 2.92Å; E49-V51 VanDerWaalsContact C-N 3.25Å; E49-V51 PolarHBondContact O-N 3.37Å; V51-Y53 PolarHBondContact O-N 3.01Å; V51-A54 PolarHBondContact O-N 3.49Å; V51-E55 WeakPolarHBondContact O-CG 3.42Å; V51-E55 PolarHBondContact O-N 3.3Å
52L79.3Confident76.6Confident45 Ų4553.4 Ų53.424%0.23629%0.294CS..Hα-helixtrans-64.3-39.8176.7-63.6176.4000111.8E49 E55 L56 V115E49-L52 CarbonylContact O-C 3.59Å; E49-L52 WeakPolarHBondContact O-CB 3.4Å; E49-L52 PolarHBondContact O-N 2.95Å; L52-E55 PolarHBondContact O-N 3.37Å; L52-L56 WeakPolarHBondContact O-CB 3.3Å; L52-L56 VanDerWaalsContact O-CG 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.21Å; L52-L56 PolarHBondContact O-N 3.24Å; L52-V115 HydrophobicContact CB-CG1 3.84Å; L52-V115 HydrophobicContact CD1-CG1 4.45Å
53Y80.8Confident77.8Confident11 Ų1152.3 Ų52.34%0.04329%0.288CS..Hα-helixtrans-59.8-48.2173.2-76.7-66.1000111.2M1 L5 F17 V45 E49 L50 V51 E55 L56 L57 V115M1-Y53 HydrophobicContact CE-CD2 4.28Å; M1-Y53 HydrophobicContact CE-CE1 3.74Å; M1-Y53 HydrophobicContact CE-CE2 3.36Å; M1-Y53 WeakPolarHBondContact CE-OH 3.41Å; L5-Y53 HydrophobicContact CB-CE1 4.37Å; L5-Y53 HydrophobicContact CD1-CD1 3.96Å; L5-Y53 HydrophobicContact CD1-CE1 4.39Å; L5-Y53 HydrophobicContact CD2-CD1 3.83Å; L5-Y53 HydrophobicContact CD2-CE1 3.57Å; L5-Y53 HydrophobicContact CG-CD1 4.36Å; L5-Y53 HydrophobicContact CG-CE1 4.3Å; F17-Y53 HydrophobicContact CE1-CD1 4.38Å; F17-Y53 AromaticContact CZ-CD1 3.9Å; F17-Y53 HydrophobicContact CZ-CD1 3.9Å; F17-Y53 HydrophobicContact CZ-CE1 4.19Å; V45-Y53 HydrophobicContact CG1-CD2 4.02Å; V45-Y53 HydrophobicContact CG1-CE2 3.7Å; E49-Y53 HydrophobicContact CB-CD2 4.15Å; E49-Y53 HydrophobicContact CB-CE2 3.86Å; E49-Y53 WeakPolarHBondContact O-CD2 3.46Å; E49-Y53 PolarHBondContact O-N 2.76Å; L50-Y53 PolarHBondContact O-N 3.42Å; V51-Y53 PolarHBondContact O-N 3.01Å; Y53-E55 VanDerWaalsContact C-N 3.33Å; Y53-E55 PolarHBondContact O-N 3.17Å; Y53-L56 PolarHBondContact O-N 2.97Å; Y53-L57 WeakPolarHBondContact O-CB 3.3Å; Y53-L57 WeakPolarHBondContact O-CG 3.29Å; Y53-L57 PolarHBondContact O-N 3.07Å; Y53-V115 HydrophobicContact CD1-CG1 4.45Å; Y53-V115 HydrophobicContact CE1-CG1 4.23Å; Y53-V115 HydrophobicContact CE1-CG2 3.93Å; Y53-V115 HydrophobicContact CE2-CG2 3.75Å; Y53-V115 WeakPolarHBondContact OH-CG2 3.39Å
54A79.6Confident79Confident51 Ų5149 Ų4942%0.42126%0.263SS..Hα-helixtrans-59.4-42.6178.200000112.1L50 V51 L57 K58L50-A54 PolarHBondContact O-N 3.2Å; V51-A54 PolarHBondContact O-N 3.49Å; A54-L57 PolarHBondContact O-N 2.92Å; A54-K58 WeakPolarHBondContact O-CG 3.38Å; A54-K58 PolarHBondContact O-N 3.16Å
55E82.1Confident80Confident67 Ų6741.4 Ų41.431%0.31323%0.229SC..Hα-helixtrans-65.9-39.6176.5-69.1-168.2156.500113.3V51 L52 Y53 K58 K126V51-E55 WeakPolarHBondContact O-CG 3.42Å; V51-E55 PolarHBondContact O-N 3.3Å; L52-E55 PolarHBondContact O-N 3.37Å; Y53-E55 VanDerWaalsContact C-N 3.33Å; Y53-E55 PolarHBondContact O-N 3.17Å; E55-K58 WeakPolarHBondContact O-CB 3.45Å; E55-K58 PolarHBondContact O-N 2.99Å; E55-K126 IonicContact OE1-NZ 3.2Å; E55-K126 PolarHBondContact OE1-NZ 3.25Å; E55-K126 IonicContact OE2-NZ 3.31Å; E55-K126 PolarHBondContact OE2-NZ 3.1Å
56L83.7Confident80.9Confident3 Ų340.6 Ų40.62%0.01622%0.224CC..Hα-helixtrans-69.8-38177.5-73.2175.2000111.9L5 L9 L52 Y53 K58 L59 G60 V115 I118 L122L5-L56 HydrophobicContact CD1-CB 4.28Å; L5-L56 HydrophobicContact CD2-CD1 3.86Å; L9-L56 HydrophobicContact CD2-CB 4.23Å; L9-L56 WeakPolarHBondContact CD2-O 3.08Å; L52-L56 WeakPolarHBondContact O-CB 3.3Å; L52-L56 VanDerWaalsContact O-CG 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.21Å; L52-L56 PolarHBondContact O-N 3.24Å; Y53-L56 PolarHBondContact O-N 2.97Å; L56-K58 VanDerWaalsContact C-N 3.28Å; L56-K58 PolarHBondContact O-N 3.04Å; L56-L59 HydrophobicContact CD2-CD1 3.96Å; L56-L59 WeakPolarHBondContact O-CA 3.44Å; L56-L59 VanDerWaalsContact O-CB 3.27Å; L56-L59 WeakPolarHBondContact O-CB 3.47Å; L56-L59 PolarHBondContact O-N 3.06Å; L56-G60 PolarHBondContact O-N 3.32Å; L56-G60 VanDerWaalsContact O-N 3.13Å; L56-V115 HydrophobicContact CD1-CG1 3.75Å; L56-I118 HydrophobicContact CD1-CB 4.28Å; L56-I118 HydrophobicContact CD1-CG2 3.81Å; L56-I118 HydrophobicContact CD2-CG2 4.14Å; L56-L122 HydrophobicContact CD2-CB 4.32Å; L56-L122 HydrophobicContact CD2-CD1 3.93Å
57L82.1Confident81.7Confident4 Ų439.4 Ų39.42%0.02121%0.212CC..Hα-helixtrans-65.8-30.5176-69.2169.3000112.4L5 A8 F17 L35 Y53 A54 L59 G60 T61L5-L57 HydrophobicContact CD1-CD2 4.25Å; A8-L57 HydrophobicContact CB-CD2 3.81Å; F17-L57 HydrophobicContact CB-CD2 4.09Å; F17-L57 HydrophobicContact CD1-CD1 3.6Å; F17-L57 HydrophobicContact CD1-CD2 3.72Å; F17-L57 HydrophobicContact CD1-CG 4.23Å; F17-L57 HydrophobicContact CE1-CD1 3.85Å; F17-L57 HydrophobicContact CE1-CD2 4.26Å; F17-L57 HydrophobicContact CE1-CG 4.47Å; F17-L57 HydrophobicContact CG-CD2 3.85Å; L35-L57 HydrophobicContact CB-CB 4.4Å; L35-L57 HydrophobicContact CB-CD2 4.14Å; Y53-L57 WeakPolarHBondContact O-CB 3.3Å; Y53-L57 WeakPolarHBondContact O-CG 3.29Å; Y53-L57 PolarHBondContact O-N 3.07Å; A54-L57 PolarHBondContact O-N 2.92Å; L57-L59 VanDerWaalsContact C-N 3.28Å; L57-L59 PolarHBondContact O-N 3.5Å; L57-G60 PolarHBondContact O-N 2.82Å; L57-T61 WeakPolarHBondContact O-CB 3.32Å; L57-T61 PolarHBondContact O-N 3.39Å; L57-T61 PolarHBondContact O-OG1 3.01Å
58K83.3Confident82.5Confident103 Ų10335.8 Ų35.845%0.44820%0.195SC..Hα-helixtrans-60.3-37.4169.5-70.9-179.5-177.4-1650111.7A54 E55 L56 T61 C62A54-K58 WeakPolarHBondContact O-CG 3.38Å; A54-K58 PolarHBondContact O-N 3.16Å; E55-K58 WeakPolarHBondContact O-CB 3.45Å; E55-K58 PolarHBondContact O-N 2.99Å; L56-K58 VanDerWaalsContact C-N 3.28Å; L56-K58 PolarHBondContact O-N 3.04Å; K58-T61 PolarHBondContact O-N 3.02Å; K58-C62 PolarHBondContact O-N 3.4Å; K58-C62 PolarHBondContact O-SG 2.96Å
59L83.6Confident83.3Confident7 Ų733.3 Ų33.34%0.03717%0.169CC..Hα-helixtrans-65.7-46.7174.1-58.5177.2000111.8L9 L56 L57 T61 C62 Y63 L122 K126 L129L9-L59 HydrophobicContact CD2-CB 4.19Å; L56-L59 HydrophobicContact CD2-CD1 3.96Å; L56-L59 WeakPolarHBondContact O-CA 3.44Å; L56-L59 VanDerWaalsContact O-CB 3.27Å; L56-L59 WeakPolarHBondContact O-CB 3.47Å; L56-L59 PolarHBondContact O-N 3.06Å; L57-L59 VanDerWaalsContact C-N 3.28Å; L57-L59 PolarHBondContact O-N 3.5Å; L59-T61 VanDerWaalsContact C-N 3.26Å; L59-T61 PolarHBondContact O-N 3.32Å; L59-C62 PolarHBondContact O-N 2.91Å; L59-Y63 WeakPolarHBondContact O-CB 3.39Å; L59-Y63 PolarHBondContact O-N 3.25Å; L59-L122 HydrophobicContact CD1-CB 3.92Å; L59-L122 HydrophobicContact CD1-CD1 4.38Å; L59-K126 HydrophobicContact CD2-CB 4.41Å; L59-L129 HydrophobicContact CB-CD1 4.3Å; L59-L129 HydrophobicContact CD2-CD1 4.24Å
60G84.6Confident83.7Confident0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-59.5-39.1176.900000112.1A8 L56 L57 Y63 K64A8-G60 WeakPolarHBondContact O-CA 3.35Å; L56-G60 PolarHBondContact O-N 3.32Å; L56-G60 VanDerWaalsContact O-N 3.13Å; L57-G60 PolarHBondContact O-N 2.82Å; G60-Y63 PolarHBondContact O-N 3.02Å; G60-K64 WeakPolarHBondContact O-CB 3.43Å; G60-K64 PolarHBondContact O-N 3.21Å
61T84.8Confident84.2Confident7 Ų734.6 Ų34.64%0.04318%0.175CC..Hα-helixtrans-63.9-46.4174.7-55.30000111.7L31 Q33 L35 L57 K58 L59 Y63 K64 Y65L31-T61 HydrophobicContact CD1-CG2 3.89Å; Q33-T61 WeakPolarHBondContact O-CG2 3.45Å; L35-T61 PolarHBondContact N-OG1 3.14Å; L35-T61 VanDerWaalsContact N-OG1 3.11Å; L57-T61 WeakPolarHBondContact O-CB 3.32Å; L57-T61 PolarHBondContact O-N 3.39Å; L57-T61 PolarHBondContact O-OG1 3.01Å; K58-T61 PolarHBondContact O-N 3.02Å; L59-T61 VanDerWaalsContact C-N 3.26Å; L59-T61 PolarHBondContact O-N 3.32Å; T61-Y63 PolarHBondContact O-N 2.96Å; T61-K64 PolarHBondContact O-N 2.62Å; T61-Y65 PolarHBondContact O-N 2.97Å; T61-Y65 VanDerWaalsContact O-N 3.12Å
62C84.9Confident84.3Confident1 Ų136.7 Ų36.71%0.00717%0.173CC..Hα-helixtrans-61.5-43.6176-67.20000111.8K58 L59 Y65 L66 L129 V133K58-C62 PolarHBondContact O-N 3.4Å; K58-C62 PolarHBondContact O-SG 2.96Å; L59-C62 PolarHBondContact O-N 2.91Å; C62-Y65 PolarHBondContact O-N 2.92Å; C62-L66 VanDerWaalsContact O-CG 3.32Å; C62-L66 WeakPolarHBondContact O-CG 3.47Å; C62-L66 PolarHBondContact O-N 2.91Å; C62-L66 VanDerWaalsContact O-N 3.08Å; C62-L129 HydrophobicContact CB-CB 3.84Å; C62-L129 HydrophobicContact CB-CD1 4.47Å; C62-V133 HydrophobicContact CB-CG2 3.72Å
63Y87.2Confident84.3Confident4 Ų434.9 Ų34.92%0.01616%0.163CC..Hα-helixtrans-63.1-44.5178.5176.8-97.6000111.5H10 L59 G60 T61 Y65 L66 Q67 L93 Y96 R97H10-Y63 VanDerWaalsContact O-CE1 3.28Å; H10-Y63 WeakPolarHBondContact O-CE1 3.49Å; L59-Y63 WeakPolarHBondContact O-CB 3.39Å; L59-Y63 PolarHBondContact O-N 3.25Å; G60-Y63 PolarHBondContact O-N 3.02Å; T61-Y63 PolarHBondContact O-N 2.96Å; Y63-Y65 PolarHBondContact O-N 3.14Å; Y63-L66 PolarHBondContact O-N 3.46Å; Y63-Q67 WeakPolarHBondContact O-CB 3.33Å; Y63-Q67 PolarHBondContact O-N 3.33Å; Y63-L93 HydrophobicContact CD2-CD1 4.17Å; Y63-L93 HydrophobicContact CD2-CD2 4.1Å; Y63-L93 HydrophobicContact CE2-CB 4.32Å; Y63-L93 HydrophobicContact CE2-CD1 4.06Å; Y63-L93 HydrophobicContact CE2-CD2 4.47Å; Y63-Y96 HydrophobicContact CD1-CE1 4.35Å; Y63-Y96 AromaticContact CD2-CD1 3.45Å; Y63-Y96 HydrophobicContact CD2-CD1 3.45Å; Y63-Y96 VanDerWaalsContact CD2-CD1 3.45Å; Y63-Y96 AromaticContact CD2-CE1 3.43Å; Y63-Y96 HydrophobicContact CD2-CE1 3.43Å; Y63-Y96 VanDerWaalsContact CD2-CE1 3.43Å; Y63-Y96 AromaticContact CE2-CD1 3.78Å; Y63-Y96 HydrophobicContact CE2-CD1 3.78Å; Y63-Y96 HydrophobicContact CE2-CE1 4.01Å; Y63-Y96 HydrophobicContact CG-CD1 4.15Å; Y63-Y96 AromaticContact CG-CE1 3.63Å; Y63-Y96 HydrophobicContact CG-CE1 3.63Å; Y63-R97 HydrophobicContact CE2-CG 4.04Å; Y63-R97 PolarHBondContact OH-NE 3.46Å
64K85.6Confident84.1Confident39 Ų3936.8 Ų36.817%0.1718%0.178CC..Hα-helixtrans-56.6-50.2176.4-169.3-171.1-177.8-144.50111.6G60 T61 L66 Q67 E68G60-K64 WeakPolarHBondContact O-CB 3.43Å; G60-K64 PolarHBondContact O-N 3.21Å; T61-K64 PolarHBondContact O-N 2.62Å; K64-L66 PolarHBondContact O-N 3.35Å; K64-Q67 PolarHBondContact O-N 3.08Å; K64-E68 WeakPolarHBondContact CE-OE1 3.38Å; K64-E68 IonicContact NZ-OE1 3.18Å; K64-E68 PolarHBondContact NZ-OE1 3.28Å; K64-E68 WeakPolarHBondContact O-CG 3.36Å; K64-E68 PolarHBondContact O-N 2.68Å
65Y86.8Confident84Confident36 Ų3639.5 Ų39.514%0.14118%0.182CC..Hα-helixtrans-59.8-43.8178.3173.7-98.6000112.4L31 T61 C62 Y63 Q67 E68 F69 V133 T136 K137 E140L31-Y65 HydrophobicContact CD2-CD1 3.95Å; L31-Y65 HydrophobicContact CD2-CD2 3.68Å; L31-Y65 HydrophobicContact CD2-CE1 4.35Å; L31-Y65 HydrophobicContact CD2-CE2 4.14Å; L31-Y65 HydrophobicContact CD2-CG 3.57Å; T61-Y65 PolarHBondContact O-N 2.97Å; T61-Y65 VanDerWaalsContact O-N 3.12Å; C62-Y65 PolarHBondContact O-N 2.92Å; Y63-Y65 PolarHBondContact O-N 3.14Å; Y65-Q67 VanDerWaalsContact C-N 3.33Å; Y65-Q67 PolarHBondContact O-N 2.99Å; Y65-E68 PolarHBondContact O-N 3.22Å; Y65-F69 WeakPolarHBondContact O-CB 3.39Å; Y65-F69 PolarHBondContact O-N 3.2Å; Y65-V133 HydrophobicContact CD1-CB 4.41Å; Y65-V133 HydrophobicContact CD1-CG1 3.92Å; Y65-V133 HydrophobicContact CD1-CG2 4.06Å; Y65-V133 HydrophobicContact CE1-CG1 4.02Å; Y65-T136 HydrophobicContact CE1-CG2 4.07Å; Y65-K137 WeakPolarHBondContact OH-CA 3.36Å; Y65-E140 PolarHBondContact OH-OE2 3.29Å
66L87.5Confident83.4Confident0 Ų039 Ų390%019%0.186CC..Hα-helixtrans-65.7-37.2177.2-67.3172000112C62 Y63 K64 F69 I70 I89 L93 L129 L132 V133 T136C62-L66 VanDerWaalsContact O-CG 3.32Å; C62-L66 WeakPolarHBondContact O-CG 3.47Å; C62-L66 PolarHBondContact O-N 2.91Å; C62-L66 VanDerWaalsContact O-N 3.08Å; Y63-L66 PolarHBondContact O-N 3.46Å; K64-L66 PolarHBondContact O-N 3.35Å; L66-F69 PolarHBondContact O-N 3.12Å; L66-I70 WeakPolarHBondContact O-CD1 3.41Å; L66-I70 VanDerWaalsContact O-CG1 3.23Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 2.85Å; L66-I89 HydrophobicContact CB-CG2 4.32Å; L66-I89 HydrophobicContact CD2-CG2 4.13Å; L66-L93 HydrophobicContact CB-CD1 3.95Å; L66-L93 HydrophobicContact CD1-CD2 4Å; L66-L129 HydrophobicContact CD1-CD2 3.96Å; L66-L132 HydrophobicContact CD1-CB 3.92Å; L66-L132 HydrophobicContact CD1-CD1 4.32Å; L66-L132 HydrophobicContact CD2-CB 4.22Å; L66-V133 HydrophobicContact CD1-CG2 4.23Å; L66-V133 HydrophobicContact CD2-CG2 4.23Å; L66-V133 HydrophobicContact CG-CG2 4.01Å; L66-T136 HydrophobicContact CD2-CG2 4.19Å; L66-T136 WeakPolarHBondContact CD2-OG1 3.4Å
67Q87.9Confident82.8Confident45 Ų4547.3 Ų47.321%0.2122%0.218CC..Hα-helixtrans-66.3-45.9176.1-175.765.825.800111.5Y63 K64 Y65 F69 I70 E71Y63-Q67 WeakPolarHBondContact O-CB 3.33Å; Y63-Q67 PolarHBondContact O-N 3.33Å; K64-Q67 PolarHBondContact O-N 3.08Å; Y65-Q67 VanDerWaalsContact C-N 3.33Å; Y65-Q67 PolarHBondContact O-N 2.99Å; Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 PolarHBondContact O-N 3.3Å; Q67-I70 PolarHBondContact O-N 3.48Å; Q67-I70 VanDerWaalsContact O-N 3.14Å; Q67-E71 PolarHBondContact NE2-OE1 3.32Å; Q67-E71 WeakPolarHBondContact O-CG 3.4Å; Q67-E71 PolarHBondContact O-N 3.4Å
68E86.1Confident82.3Confident79 Ų7950.8 Ų50.837%0.36924%0.235SC..Hα-helixtrans-58.9-40174.7-73.6178179.700111.4K64 Y65 R72K64-E68 WeakPolarHBondContact CE-OE1 3.38Å; K64-E68 IonicContact NZ-OE1 3.18Å; K64-E68 PolarHBondContact NZ-OE1 3.28Å; K64-E68 WeakPolarHBondContact O-CG 3.36Å; K64-E68 PolarHBondContact O-N 2.68Å; Y65-E68 PolarHBondContact O-N 3.22Å; E68-R72 VanDerWaalsContact O-CB 3.32Å; E68-R72 WeakPolarHBondContact O-CB 3.16Å; E68-R72 PolarHBondContact O-N 2.93Å
69F85.8Confident82.2Confident3 Ų345.9 Ų45.91%0.01321%0.213CC..Hα-helixtrans-63.2-45.2173.8-179-86.5000112.2Y65 L66 Q67 R72 F73 L82 F85 A86 I89 T136 V139 E140Y65-F69 WeakPolarHBondContact O-CB 3.39Å; Y65-F69 PolarHBondContact O-N 3.2Å; L66-F69 PolarHBondContact O-N 3.12Å; Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 PolarHBondContact O-N 3.3Å; F69-R72 PolarHBondContact O-N 3.31Å; F69-F73 HydrophobicContact CD1-CD2 4.11Å; F69-F73 AromaticContact CD2-CD2 3.38Å; F69-F73 HydrophobicContact CD2-CD2 3.38Å; F69-F73 AromaticContact CD2-CE2 3.45Å; F69-F73 HydrophobicContact CD2-CE2 3.45Å; F69-F73 VanDerWaalsContact CD2-CE2 3.45Å; F69-F73 HydrophobicContact CE1-CB 4.34Å; F69-F73 AromaticContact CE1-CD2 4Å; F69-F73 HydrophobicContact CE1-CD2 4Å; F69-F73 AromaticContact CE2-CD2 3.25Å; F69-F73 HydrophobicContact CE2-CD2 3.25Å; F69-F73 AromaticContact CE2-CE2 3.33Å; F69-F73 HydrophobicContact CE2-CE2 3.33Å; F69-F73 HydrophobicContact CE2-CG 4.25Å; F69-F73 HydrophobicContact CE2-CZ 4.37Å; F69-F73 AromaticContact CG-CD2 3.81Å; F69-F73 HydrophobicContact CG-CD2 3.81Å; F69-F73 HydrophobicContact CG-CE2 4.29Å; F69-F73 HydrophobicContact CZ-CB 4.42Å; F69-F73 AromaticContact CZ-CD2 3.58Å; F69-F73 HydrophobicContact CZ-CD2 3.58Å; F69-F73 HydrophobicContact CZ-CE2 4.09Å; F69-F73 HydrophobicContact CZ-CG 4.19Å; F69-F73 WeakPolarHBondContact O-CD2 3.44Å; F69-F73 PolarHBondContact O-N 2.67Å; F69-L82 HydrophobicContact CZ-CD1 4.16Å; F69-F85 AromaticContact CE1-CD1 3.85Å; F69-F85 HydrophobicContact CE1-CD1 3.85Å; F69-F85 AromaticContact CE1-CE1 3.81Å; F69-F85 HydrophobicContact CE1-CE1 3.81Å; F69-F85 AromaticContact CZ-CD1 3.95Å; F69-F85 HydrophobicContact CZ-CD1 3.95Å; F69-F85 AromaticContact CZ-CE1 3.81Å; F69-F85 HydrophobicContact CZ-CE1 3.81Å; F69-A86 HydrophobicContact CE1-CB 4.48Å; F69-I89 HydrophobicContact CD1-CD1 3.93Å; F69-I89 HydrophobicContact CE1-CD1 3.84Å; F69-T136 HydrophobicContact CB-CG2 3.97Å; F69-T136 HydrophobicContact CD1-CG2 3.63Å; F69-T136 HydrophobicContact CD2-CG2 3.33Å; F69-T136 HydrophobicContact CE1-CG2 3.91Å; F69-T136 HydrophobicContact CE2-CG2 3.63Å; F69-T136 HydrophobicContact CG-CG2 3.34Å; F69-T136 HydrophobicContact CZ-CG2 3.92Å; F69-V139 HydrophobicContact CZ-CG1 4.44Å; F69-E140 HydrophobicContact CD2-CB 4.39Å; F69-E140 HydrophobicContact CE2-CB 4.07Å
70I86Confident82.3Confident13 Ų1348 Ų487%0.06723%0.225CC..Hα-helixtrans-62.2-46.1178.2-68.3159.5000110.6L66 Q67 R72 F73 S74 I89 D90 L93L66-I70 WeakPolarHBondContact O-CD1 3.41Å; L66-I70 VanDerWaalsContact O-CG1 3.23Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 2.85Å; Q67-I70 PolarHBondContact O-N 3.48Å; Q67-I70 VanDerWaalsContact O-N 3.14Å; I70-R72 PolarHBondContact O-N 3.34Å; I70-F73 PolarHBondContact O-N 3.24Å; I70-S74 WeakPolarHBondContact O-CA 3.1Å; I70-S74 WeakPolarHBondContact O-CB 3.23Å; I70-S74 PolarHBondContact O-N 3.33Å; I70-S74 PolarHBondContact O-OG 3.2Å; I70-I89 HydrophobicContact CD1-CB 4.34Å; I70-I89 HydrophobicContact CD1-CG2 3.92Å; I70-I89 HydrophobicContact CG1-CB 4.36Å; I70-I89 HydrophobicContact CG1-CG2 4.26Å; I70-D90 HydrophobicContact CD1-CB 3.92Å; I70-D90 HydrophobicContact CG1-CB 4.48Å; I70-D90 HydrophobicContact CG2-CB 4.32Å; I70-L93 HydrophobicContact CD1-CD1 3.69Å
71E86Confident82.3Confident119 Ų11948 Ų4856%0.55623%0.225SC*.Hα-helixtrans-61.6-36.8178.9-73.1173.8-16700111.6Q67Q67-E71 PolarHBondContact NE2-OE1 3.32Å; Q67-E71 WeakPolarHBondContact O-CG 3.4Å; Q67-E71 PolarHBondContact O-N 3.4Å
72R82.8Confident82.4Confident134 Ų13447.8 Ų47.851%0.50622%0.223SC..Hα-helixtrans-72.9-38.7178.4-171.2173.8-176.2-179.91.9114E68 F69 I70 H78 E140E68-R72 VanDerWaalsContact O-CB 3.32Å; E68-R72 WeakPolarHBondContact O-CB 3.16Å; E68-R72 PolarHBondContact O-N 2.93Å; F69-R72 PolarHBondContact O-N 3.31Å; I70-R72 PolarHBondContact O-N 3.34Å; R72-H78 PolarHBondContact O-CE1 3.09Å; R72-E140 IonicContact NH1-OE1 3.73Å; R72-E140 PolarHBondContact NH1-OE1 3.08Å
73F79.7Confident82.4Confident6 Ų648.4 Ų48.43%0.02623%0.227CC..Hα-helixtrans-114.5-0.2-169-64-69.1000115.1F69 I70 E75 H78 L82 A86 E140 V143F69-F73 HydrophobicContact CD1-CD2 4.11Å; F69-F73 AromaticContact CD2-CD2 3.38Å; F69-F73 HydrophobicContact CD2-CD2 3.38Å; F69-F73 AromaticContact CD2-CE2 3.45Å; F69-F73 HydrophobicContact CD2-CE2 3.45Å; F69-F73 VanDerWaalsContact CD2-CE2 3.45Å; F69-F73 HydrophobicContact CE1-CB 4.34Å; F69-F73 AromaticContact CE1-CD2 4Å; F69-F73 HydrophobicContact CE1-CD2 4Å; F69-F73 AromaticContact CE2-CD2 3.25Å; F69-F73 HydrophobicContact CE2-CD2 3.25Å; F69-F73 AromaticContact CE2-CE2 3.33Å; F69-F73 HydrophobicContact CE2-CE2 3.33Å; F69-F73 HydrophobicContact CE2-CG 4.25Å; F69-F73 HydrophobicContact CE2-CZ 4.37Å; F69-F73 AromaticContact CG-CD2 3.81Å; F69-F73 HydrophobicContact CG-CD2 3.81Å; F69-F73 HydrophobicContact CG-CE2 4.29Å; F69-F73 HydrophobicContact CZ-CB 4.42Å; F69-F73 AromaticContact CZ-CD2 3.58Å; F69-F73 HydrophobicContact CZ-CD2 3.58Å; F69-F73 HydrophobicContact CZ-CE2 4.09Å; F69-F73 HydrophobicContact CZ-CG 4.19Å; F69-F73 WeakPolarHBondContact O-CD2 3.44Å; F69-F73 PolarHBondContact O-N 2.67Å; I70-F73 PolarHBondContact O-N 3.24Å; F73-E75 PolarHBondContact O-N 3.4Å; F73-H78 HydrophobicContact CD1-CB 4.25Å; F73-H78 AromaticContact CD1-CD2 3.93Å; F73-L82 HydrophobicContact CB-CD2 4.28Å; F73-L82 HydrophobicContact CB-CG 4.18Å; F73-L82 HydrophobicContact CD1-CD2 3.42Å; F73-L82 VanDerWaalsContact CD1-CD2 3.42Å; F73-L82 HydrophobicContact CD1-CG 4.22Å; F73-L82 HydrophobicContact CE1-CD2 3.93Å; F73-L82 HydrophobicContact CG-CD2 4.04Å; F73-L82 HydrophobicContact CG-CG 4.37Å; F73-A86 HydrophobicContact CB-CB 4.39Å; F73-E140 HydrophobicContact CE2-CG 4.49Å; F73-V143 HydrophobicContact CE1-CG1 4.04Å; F73-V143 HydrophobicContact CZ-CG1 4.4Å
74S76Confident82.4Confident52 Ų5248.6 Ų48.636%0.36423%0.23SC..  trans-67.2-26.417559.90000112.9I70I70-S74 WeakPolarHBondContact O-CA 3.1Å; I70-S74 WeakPolarHBondContact O-CB 3.23Å; I70-S74 PolarHBondContact O-N 3.33Å; I70-S74 PolarHBondContact O-OG 3.2Å
75E76.6Confident82.5Confident107 Ų10746.8 Ų46.850%0.522%0.222SC..SBendtrans-69.4133.9178.6-62-171169.900111.6F73 Y77 H78F73-E75 PolarHBondContact O-N 3.4Å; E75-Y77 HydrophobicContact CB-CD2 4.07Å; E75-Y77 PolarHBondContact O-N 3.33Å; E75-H78 PolarHBondContact O-N 3.31Å; E75-H78 PolarHBondContact O-ND1 3.4Å
76S70.7Confident82.6Confident58 Ų5845 Ų4541%0.40622%0.215SC..G310 helixtrans-58.9-22.7-174.752.70000114.4H78 G79 Y204S76-H78 PolarHBondContact O-N 2.95Å; S76-H78 VanDerWaalsContact O-N 3.12Å; S76-G79 PolarHBondContact O-N 3.47Å; S76-G79 VanDerWaalsContact O-N 3.12Å; S76-Y204 VanDerWaalsContact O-CE2 3.23Å; S76-Y204 WeakPolarHBondContact O-CE2 3.26Å; S76-Y204 PolarHBondContact O-OH 3.25Å
77Y71.6Confident82.6Confident176 Ų17649.7 Ų49.769%0.6924%0.239SC*.G310 helixtrans-61.9-20-176.4-53.3-68.4000114.6E75E75-Y77 HydrophobicContact CB-CD2 4.07Å; E75-Y77 PolarHBondContact O-N 3.33Å
78H71.5Confident82.6Confident78 Ų7847.5 Ų47.536%0.36123%0.229SC..G310 helixtrans-85.6-16.5179.4-61.390000113.6R72 F73 E75 S76 L82R72-H78 PolarHBondContact O-CE1 3.09Å; F73-H78 HydrophobicContact CD1-CB 4.25Å; F73-H78 AromaticContact CD1-CD2 3.93Å; E75-H78 PolarHBondContact O-N 3.31Å; E75-H78 PolarHBondContact O-ND1 3.4Å; S76-H78 PolarHBondContact O-N 2.95Å; S76-H78 VanDerWaalsContact O-N 3.12Å; H78-L82 HydrophobicContact CB-CD2 3.96Å
79G81.1Confident82.7Confident0 Ų043.8 Ų43.80%021%0.212CC..  trans137.4150.9-179.300000114.5S76 S83 S153 E206S76-G79 PolarHBondContact O-N 3.47Å; S76-G79 VanDerWaalsContact O-N 3.12Å; G79-S83 WeakPolarHBondContact O-CB 3.33Å; G79-S83 PolarHBondContact O-N 2.91Å; G79-S83 PolarHBondContact O-OG 3.19Å; G79-S153 WeakPolarHBondContact CA-OG 3.46Å; G79-E206 WeakPolarHBondContact CA-OE1 3.49Å
80L84.2Confident82.8Confident52 Ų5245.3 Ų45.327%0.27222%0.22SC..Hα-helixtrans-72.7-38.6-178.6-65.1175.9000111.4S83 A84 V186 P203 Y204 E206L80-S83 WeakPolarHBondContact CA-OG 3.28Å; L80-S83 PolarHBondContact O-OG 3.39Å; L80-A84 VanDerWaalsContact O-CB 3.32Å; L80-A84 WeakPolarHBondContact O-CB 3.09Å; L80-A84 PolarHBondContact O-N 3.02Å; L80-V186 HydrophobicContact CB-CG1 3.79Å; L80-P203 HydrophobicContact CD1-CG 4.07Å; L80-P203 HydrophobicContact CG-CG 4.46Å; L80-Y204 HydrophobicContact CD2-CE2 4.3Å; L80-Y204 HydrophobicContact CG-CD2 4.05Å; L80-Y204 HydrophobicContact CG-CE2 4.16Å; L80-E206 WeakPolarHBondContact CB-OE2 3.39Å; L80-E206 PolarHBondContact N-OE1 3.3Å; L80-E206 VanDerWaalsContact N-OE1 3.12Å; L80-E206 PolarHBondContact N-OE2 3.28Å
81Y86.3Confident82.9Confident0 Ų046.6 Ų46.60%023%0.227CC..Hα-helixtrans-71.4-40178.5-69-81.8000112.1A84 F85 S153 C155 I183 V186 F187 Q190 E206Y81-A84 PolarHBondContact O-N 3.06Å; Y81-F85 WeakPolarHBondContact O-CB 2.97Å; Y81-F85 PolarHBondContact O-N 3Å; Y81-S153 WeakPolarHBondContact CD2-O 3.41Å; Y81-C155 HydrophobicContact CE1-CB 4.47Å; Y81-I183 HydrophobicContact CD1-CG2 3.62Å; Y81-I183 HydrophobicContact CE1-CG2 4.31Å; Y81-V186 HydrophobicContact CD1-CB 4.33Å; Y81-V186 HydrophobicContact CD1-CG1 4.21Å; Y81-V186 HydrophobicContact CD2-CG1 4.49Å; Y81-V186 HydrophobicContact CE1-CB 4.27Å; Y81-V186 HydrophobicContact CE1-CG1 4.07Å; Y81-V186 HydrophobicContact CE2-CG1 4.32Å; Y81-V186 HydrophobicContact CG-CG1 4.46Å; Y81-F187 HydrophobicContact CE1-CB 4.14Å; Y81-Q190 VanDerWaalsContact CZ-OE1 3.27Å; Y81-Q190 PolarHBondContact OH-OE1 3.45Å; Y81-E206 HydrophobicContact CD2-CB 3.63Å; Y81-E206 HydrophobicContact CD2-CG 4.27Å; Y81-E206 WeakPolarHBondContact CD2-OE2 3.23Å; Y81-E206 HydrophobicContact CE2-CB 3.68Å
82L85.7Confident83Confident2 Ų241.5 Ų41.51%0.0120%0.204CC..Hα-helixtrans-69.5-40.8177.4-172.262000112.5F69 F73 H78 F85 A86 V139 V143 S153F69-L82 HydrophobicContact CZ-CD1 4.16Å; F73-L82 HydrophobicContact CB-CD2 4.28Å; F73-L82 HydrophobicContact CB-CG 4.18Å; F73-L82 HydrophobicContact CD1-CD2 3.42Å; F73-L82 VanDerWaalsContact CD1-CD2 3.42Å; F73-L82 HydrophobicContact CD1-CG 4.22Å; F73-L82 HydrophobicContact CE1-CD2 3.93Å; F73-L82 HydrophobicContact CG-CD2 4.04Å; F73-L82 HydrophobicContact CG-CG 4.37Å; H78-L82 HydrophobicContact CB-CD2 3.96Å; L82-F85 HydrophobicContact CD1-CD1 4.28Å; L82-F85 WeakPolarHBondContact O-CB 3.42Å; L82-F85 PolarHBondContact O-N 3.21Å; L82-A86 PolarHBondContact O-N 3.16Å; L82-V139 HydrophobicContact CD1-CG1 4.03Å; L82-V143 HydrophobicContact CD1-CG2 4.35Å; L82-V143 HydrophobicContact CD2-CG1 4.22Å; L82-V143 HydrophobicContact CD2-CG2 4.32Å; L82-S153 WeakPolarHBondContact CB-OG 3.33Å; L82-S153 PolarHBondContact N-OG 3.28Å; L82-S153 VanDerWaalsContact N-OG 3.09Å
83S86.2Confident83.2Confident14 Ų1435.1 Ų35.110%0.09818%0.181CC..Hα-helixtrans-64.5-39.8173.754.20000111.8G79 L80 F85 A86 L87G79-S83 WeakPolarHBondContact O-CB 3.33Å; G79-S83 PolarHBondContact O-N 2.91Å; G79-S83 PolarHBondContact O-OG 3.19Å; L80-S83 WeakPolarHBondContact CA-OG 3.28Å; L80-S83 PolarHBondContact O-OG 3.39Å; S83-F85 VanDerWaalsContact C-N 3.3Å; S83-F85 PolarHBondContact O-N 3.32Å; S83-A86 PolarHBondContact O-N 3.5Å; S83-L87 WeakPolarHBondContact O-CB 3.46Å; S83-L87 WeakPolarHBondContact O-CG 3.48Å; S83-L87 PolarHBondContact O-N 3.14Å
84A86.4Confident83.6Confident8 Ų839.7 Ų39.77%0.06620%0.2CC..Hα-helixtrans-63.5-35.3172.400000112.8L80 Y81 G88 H182 V186L80-A84 VanDerWaalsContact O-CB 3.32Å; L80-A84 WeakPolarHBondContact O-CB 3.09Å; L80-A84 PolarHBondContact O-N 3.02Å; Y81-A84 PolarHBondContact O-N 3.06Å; A84-G88 PolarHBondContact O-N 3.3Å; A84-H182 WeakPolarHBondContact O-CB 3.04Å; A84-V186 HydrophobicContact CB-CG2 3.52Å
85F88.4Confident84.2Confident0 Ų039.4 Ų39.40%020%0.201CC..Hα-helixtrans-65.5-46.8172.5177.6-112000111.9F69 Y81 L82 S83 L87 G88 I89 V135 V139 L157 I161 L179 I183F69-F85 AromaticContact CE1-CD1 3.85Å; F69-F85 HydrophobicContact CE1-CD1 3.85Å; F69-F85 AromaticContact CE1-CE1 3.81Å; F69-F85 HydrophobicContact CE1-CE1 3.81Å; F69-F85 AromaticContact CZ-CD1 3.95Å; F69-F85 HydrophobicContact CZ-CD1 3.95Å; F69-F85 AromaticContact CZ-CE1 3.81Å; F69-F85 HydrophobicContact CZ-CE1 3.81Å; Y81-F85 WeakPolarHBondContact O-CB 2.97Å; Y81-F85 PolarHBondContact O-N 3Å; L82-F85 HydrophobicContact CD1-CD1 4.28Å; L82-F85 WeakPolarHBondContact O-CB 3.42Å; L82-F85 PolarHBondContact O-N 3.21Å; S83-F85 VanDerWaalsContact C-N 3.3Å; S83-F85 PolarHBondContact O-N 3.32Å; F85-L87 VanDerWaalsContact C-N 3.35Å; F85-L87 PolarHBondContact O-N 3.07Å; F85-G88 PolarHBondContact O-N 2.8Å; F85-G88 VanDerWaalsContact O-N 3.14Å; F85-I89 HydrophobicContact CD1-CD1 3.98Å; F85-I89 HydrophobicContact CE1-CD1 3.48Å; F85-I89 VanDerWaalsContact CE1-CD1 3.48Å; F85-I89 HydrophobicContact CE1-CG1 4.4Å; F85-I89 HydrophobicContact CE2-CD1 4.3Å; F85-I89 HydrophobicContact CE2-CG1 4.43Å; F85-I89 HydrophobicContact CZ-CD1 3.67Å; F85-I89 HydrophobicContact CZ-CG1 4.25Å; F85-I89 WeakPolarHBondContact O-CG1 3.46Å; F85-I89 PolarHBondContact O-N 3.22Å; F85-V135 HydrophobicContact CE2-CG1 4.34Å; F85-V135 HydrophobicContact CZ-CG1 4.17Å; F85-V139 HydrophobicContact CD1-CG1 4.21Å; F85-V139 HydrophobicContact CE1-CB 4.06Å; F85-V139 HydrophobicContact CE1-CG1 3.93Å; F85-V139 HydrophobicContact CE1-CG2 4.03Å; F85-V139 HydrophobicContact CZ-CB 4.4Å; F85-V139 HydrophobicContact CZ-CG2 3.93Å; F85-L157 HydrophobicContact CB-CD2 4.11Å; F85-I161 HydrophobicContact CD2-CD1 3.47Å; F85-I161 VanDerWaalsContact CD2-CD1 3.47Å; F85-I161 HydrophobicContact CD2-CG1 4.37Å; F85-I161 HydrophobicContact CE2-CD1 3.56Å; F85-I161 HydrophobicContact CE2-CG1 3.96Å; F85-I161 HydrophobicContact CG-CD1 4.34Å; F85-L179 HydrophobicContact CD2-CD2 4.3Å; F85-L179 HydrophobicContact CE2-CD1 4.01Å; F85-L179 HydrophobicContact CE2-CD2 4.3Å; F85-I183 HydrophobicContact CB-CD1 4.02Å; F85-I183 HydrophobicContact CB-CG1 4.28Å; F85-I183 HydrophobicContact CD2-CD1 3.98Å; F85-I183 HydrophobicContact CG-CD1 4.43Å
86A87.6Confident84.8Confident0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-59.9-44176.100000111.7F69 F73 L82 S83 G88 I89 D90F69-A86 HydrophobicContact CE1-CB 4.48Å; F73-A86 HydrophobicContact CB-CB 4.39Å; L82-A86 PolarHBondContact O-N 3.16Å; S83-A86 PolarHBondContact O-N 3.5Å; A86-G88 VanDerWaalsContact C-N 3.32Å; A86-G88 PolarHBondContact O-N 3.3Å; A86-I89 PolarHBondContact O-N 3.11Å; A86-D90 PolarHBondContact O-N 2.7Å
87L87.8Confident85.7Confident97 Ų9733.8 Ų33.851%0.50817%0.167SC..Hα-helixtrans-60.4-41.6173.6-73.4174.2000111.7S83 F85 I89 D90 D91S83-L87 WeakPolarHBondContact O-CB 3.46Å; S83-L87 WeakPolarHBondContact O-CG 3.48Å; S83-L87 PolarHBondContact O-N 3.14Å; F85-L87 VanDerWaalsContact C-N 3.35Å; F85-L87 PolarHBondContact O-N 3.07Å; L87-I89 VanDerWaalsContact C-N 3.34Å; L87-I89 PolarHBondContact O-N 3.03Å; L87-D90 WeakPolarHBondContact O-CB 3.47Å; L87-D90 PolarHBondContact O-N 2.93Å; L87-D91 VanDerWaalsContact O-CB 3.31Å; L87-D91 WeakPolarHBondContact O-CB 3.31Å; L87-D91 PolarHBondContact O-N 3.26Å
88G87.4Confident86.6Confident0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-64-36175.900000113.7A84 F85 A86 S92 L179 H182A84-G88 PolarHBondContact O-N 3.3Å; F85-G88 PolarHBondContact O-N 2.8Å; F85-G88 VanDerWaalsContact O-N 3.14Å; A86-G88 VanDerWaalsContact C-N 3.32Å; A86-G88 PolarHBondContact O-N 3.3Å; G88-S92 PolarHBondContact O-N 3.31Å; G88-S92 VanDerWaalsContact O-N 3.15Å; G88-L179 WeakPolarHBondContact O-CD2 3.35Å; G88-H182 WeakPolarHBondContact CA-CD2 3.48Å
89I88.9Confident87.4Confident0 Ų027.4 Ų27.40%015%0.15CC..Hα-helixtrans-66.4-48173.4-63.1170.1000109.1L66 F69 I70 F85 A86 L87 D91 S92 L93 T136 L179L66-I89 HydrophobicContact CB-CG2 4.32Å; L66-I89 HydrophobicContact CD2-CG2 4.13Å; F69-I89 HydrophobicContact CD1-CD1 3.93Å; F69-I89 HydrophobicContact CE1-CD1 3.84Å; I70-I89 HydrophobicContact CD1-CB 4.34Å; I70-I89 HydrophobicContact CD1-CG2 3.92Å; I70-I89 HydrophobicContact CG1-CB 4.36Å; I70-I89 HydrophobicContact CG1-CG2 4.26Å; F85-I89 HydrophobicContact CD1-CD1 3.98Å; F85-I89 HydrophobicContact CE1-CD1 3.48Å; F85-I89 VanDerWaalsContact CE1-CD1 3.48Å; F85-I89 HydrophobicContact CE1-CG1 4.4Å; F85-I89 HydrophobicContact CE2-CD1 4.3Å; F85-I89 HydrophobicContact CE2-CG1 4.43Å; F85-I89 HydrophobicContact CZ-CD1 3.67Å; F85-I89 HydrophobicContact CZ-CG1 4.25Å; F85-I89 WeakPolarHBondContact O-CG1 3.46Å; F85-I89 PolarHBondContact O-N 3.22Å; A86-I89 PolarHBondContact O-N 3.11Å; L87-I89 VanDerWaalsContact C-N 3.34Å; L87-I89 PolarHBondContact O-N 3.03Å; I89-D91 PolarHBondContact O-N 2.79Å; I89-S92 WeakPolarHBondContact O-CA 3.25Å; I89-S92 WeakPolarHBondContact O-CB 2.91Å; I89-S92 PolarHBondContact O-N 3.17Å; I89-S92 PolarHBondContact O-OG 2.77Å; I89-L93 HydrophobicContact CG2-CD1 4.18Å; I89-L93 HydrophobicContact CG2-CG 4.36Å; I89-L93 WeakPolarHBondContact O-CG 3.26Å; I89-L93 PolarHBondContact O-N 3.49Å; I89-T136 HydrophobicContact CD1-CG2 4.17Å; I89-T136 VanDerWaalsContact CD1-OG1 3.32Å; I89-T136 WeakPolarHBondContact CD1-OG1 3.48Å; I89-L179 HydrophobicContact CB-CD2 4.4Å; I89-L179 HydrophobicContact CG1-CD2 3.7Å; I89-L179 VanDerWaalsContact N-CD2 3.27Å
90D88.8Confident87.7Confident35 Ų3528 Ų2819%0.18715%0.153CC..Hα-helixtrans-54.9-43.9177.9-173.458.9000111.6I70 A86 L87 S92 L93 K94 R97I70-D90 HydrophobicContact CD1-CB 3.92Å; I70-D90 HydrophobicContact CG1-CB 4.48Å; I70-D90 HydrophobicContact CG2-CB 4.32Å; A86-D90 PolarHBondContact O-N 2.7Å; L87-D90 WeakPolarHBondContact O-CB 3.47Å; L87-D90 PolarHBondContact O-N 2.93Å; D90-S92 VanDerWaalsContact C-N 3.25Å; D90-S92 PolarHBondContact O-N 3.35Å; D90-L93 PolarHBondContact O-N 2.83Å; D90-K94 PolarHBondContact O-N 3.31Å; D90-K94 VanDerWaalsContact O-N 3.09Å; D90-R97 PolarHBondContact O-NH1 3.01Å; D90-R97 IonicContact OD1-CZ 2.7Å; D90-R97 IonicContact OD1-NH1 2.73Å; D90-R97 PolarHBondContact OD1-NH1 3.44Å; D90-R97 IonicContact OD1-NH2 3.7Å; D90-R97 PolarHBondContact OD1-NH2 2.91Å; D90-R97 IonicContact OD2-NH1 2.73Å
91D87.7Confident87.8Confident40 Ų4029 Ų2921%0.21416%0.163CC..Hα-helixtrans-63.1-27.7176.8-112.842.4000114.2L87 I89 K94 K178 H182L87-D91 VanDerWaalsContact O-CB 3.31Å; L87-D91 WeakPolarHBondContact O-CB 3.31Å; L87-D91 PolarHBondContact O-N 3.26Å; I89-D91 PolarHBondContact O-N 2.79Å; D91-K94 WeakPolarHBondContact OD1-CE 3.21Å; D91-K94 IonicContact OD1-NZ 3.57Å; D91-K94 PolarHBondContact OD1-NZ 2.89Å; D91-K178 HydrophobicContact CB-CD 4.44Å; D91-K178 PolarHBondContact O-NZ 3.24Å; D91-K178 WeakPolarHBondContact OD2-CE 3.33Å; D91-K178 IonicContact OD2-NZ 3.76Å; D91-K178 PolarHBondContact OD2-NZ 3.48Å; D91-H182 IonicContact OD2-CE1 3.54Å; D91-H182 IonicContact OD2-NE2 3.67Å
92S86.7Confident87.9Confident12 Ų1231.2 Ų31.28%0.08418%0.177CC..Hα-helixtrans-80.1-29.3173.175.20000113G88 I89 D90 L132G88-S92 PolarHBondContact O-N 3.31Å; G88-S92 VanDerWaalsContact O-N 3.15Å; I89-S92 WeakPolarHBondContact O-CA 3.25Å; I89-S92 WeakPolarHBondContact O-CB 2.91Å; I89-S92 PolarHBondContact O-N 3.17Å; I89-S92 PolarHBondContact O-OG 2.77Å; D90-S92 VanDerWaalsContact C-N 3.25Å; D90-S92 PolarHBondContact O-N 3.35Å; S92-L132 WeakPolarHBondContact OG-CD1 3.29Å
93L88.4Confident88Confident1 Ų131.1 Ų31.11%0.00518%0.177CC..Hα-helixtrans-79.6-18.8178.5-66.3-178.9000112.7Y63 L66 I70 I89 D90 A95 Y96 R97 L129Y63-L93 HydrophobicContact CD2-CD1 4.17Å; Y63-L93 HydrophobicContact CD2-CD2 4.1Å; Y63-L93 HydrophobicContact CE2-CB 4.32Å; Y63-L93 HydrophobicContact CE2-CD1 4.06Å; Y63-L93 HydrophobicContact CE2-CD2 4.47Å; L66-L93 HydrophobicContact CB-CD1 3.95Å; L66-L93 HydrophobicContact CD1-CD2 4Å; I70-L93 HydrophobicContact CD1-CD1 3.69Å; I89-L93 HydrophobicContact CG2-CD1 4.18Å; I89-L93 HydrophobicContact CG2-CG 4.36Å; I89-L93 WeakPolarHBondContact O-CG 3.26Å; I89-L93 PolarHBondContact O-N 3.49Å; D90-L93 PolarHBondContact O-N 2.83Å; L93-A95 VanDerWaalsContact C-N 3.26Å; L93-A95 PolarHBondContact O-N 3.19Å; L93-Y96 WeakPolarHBondContact O-CB 3.29Å; L93-Y96 PolarHBondContact O-N 3.25Å; L93-Y96 VanDerWaalsContact O-N 3.08Å; L93-R97 WeakPolarHBondContact O-CG 3.46Å; L93-R97 PolarHBondContact O-N 3.43Å; L93-L129 HydrophobicContact CD2-CD2 3.48Å; L93-L129 VanDerWaalsContact CD2-CD2 3.48Å
94K88.4Confident88.1Confident101 Ų10135 Ų3544%0.43919%0.194SC..Hα-helixtrans-52-42.6175.5-76175.6-175.6167.90112.8D90 D91 R97 T98D90-K94 PolarHBondContact O-N 3.31Å; D90-K94 VanDerWaalsContact O-N 3.09Å; D91-K94 WeakPolarHBondContact OD1-CE 3.21Å; D91-K94 IonicContact OD1-NZ 3.57Å; D91-K94 PolarHBondContact OD1-NZ 2.89Å; K94-R97 PolarHBondContact O-N 3Å; K94-T98 WeakPolarHBondContact O-CG2 3.39Å; K94-T98 PolarHBondContact O-N 3.11Å; K94-T98 PolarHBondContact O-OG1 3.32Å
95A86.9Confident88.1Confident47 Ų4738.3 Ų38.339%0.38821%0.213SC..Hα-helixtrans-63.8-42.3177.900000112.4L93 T98 D99 Y125L93-A95 VanDerWaalsContact C-N 3.26Å; L93-A95 PolarHBondContact O-N 3.19Å; A95-T98 WeakPolarHBondContact CA-OG1 3.45Å; A95-T98 PolarHBondContact O-N 3.02Å; A95-T98 PolarHBondContact O-OG1 3.27Å; A95-D99 PolarHBondContact O-N 3Å; A95-Y125 WeakPolarHBondContact CB-OH 3.31Å; A95-Y125 PolarHBondContact O-OH 3.27Å
96Y89.5Confident88.1Confident0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-63.2-44.5175.4175.4-104.9000111.4L9 Y63 L93 T98 D99 L100 L122 Y125 L129L9-Y96 PolarHBondContact O-OH 3.34Å; Y63-Y96 HydrophobicContact CD1-CE1 4.35Å; Y63-Y96 AromaticContact CD2-CD1 3.45Å; Y63-Y96 HydrophobicContact CD2-CD1 3.45Å; Y63-Y96 VanDerWaalsContact CD2-CD1 3.45Å; Y63-Y96 AromaticContact CD2-CE1 3.43Å; Y63-Y96 HydrophobicContact CD2-CE1 3.43Å; Y63-Y96 VanDerWaalsContact CD2-CE1 3.43Å; Y63-Y96 AromaticContact CE2-CD1 3.78Å; Y63-Y96 HydrophobicContact CE2-CD1 3.78Å; Y63-Y96 HydrophobicContact CE2-CE1 4.01Å; Y63-Y96 HydrophobicContact CG-CD1 4.15Å; Y63-Y96 AromaticContact CG-CE1 3.63Å; Y63-Y96 HydrophobicContact CG-CE1 3.63Å; L93-Y96 WeakPolarHBondContact O-CB 3.29Å; L93-Y96 PolarHBondContact O-N 3.25Å; L93-Y96 VanDerWaalsContact O-N 3.08Å; Y96-T98 PolarHBondContact O-N 2.83Å; Y96-D99 PolarHBondContact O-N 2.82Å; Y96-L100 HydrophobicContact CD1-CD1 3.93Å; Y96-L100 HydrophobicContact CD1-CG 4.41Å; Y96-L100 HydrophobicContact CE1-CD1 3.33Å; Y96-L100 HydrophobicContact CE1-CG 4.05Å; Y96-L100 HydrophobicContact CE2-CD1 4.33Å; Y96-L100 HydrophobicContact CE2-CD2 4.32Å; Y96-L100 HydrophobicContact CE2-CG 4.23Å; Y96-L100 WeakPolarHBondContact O-CG 3.44Å; Y96-L100 PolarHBondContact O-N 2.89Å; Y96-L122 HydrophobicContact CD2-CD2 4.14Å; Y96-L122 HydrophobicContact CE2-CD2 3.88Å; Y96-Y125 AromaticContact CD2-CD1 3.99Å; Y96-Y125 HydrophobicContact CD2-CD1 3.99Å; Y96-Y125 AromaticContact CD2-CD2 3.78Å; Y96-Y125 HydrophobicContact CD2-CD2 3.78Å; Y96-Y125 HydrophobicContact CD2-CE1 4.37Å; Y96-Y125 HydrophobicContact CD2-CE2 4.16Å; Y96-Y125 AromaticContact CD2-CG 3.69Å; Y96-Y125 HydrophobicContact CD2-CG 3.69Å; Y96-Y125 HydrophobicContact CE2-CG 4.47Å; Y96-Y125 HydrophobicContact CG-CD1 4.43Å; Y96-Y125 PolarHBondContact N-OH 2.83Å; Y96-L129 HydrophobicContact CD2-CD1 4.36Å; Y96-L129 HydrophobicContact CE2-CD1 4.19Å
97R90.5Very high87.9Confident47 Ų4741.4 Ų41.418%0.17723%0.228CC..Hα-helixtrans-62.2-42.8177.3-66.4177.5-168.3127.6-7111.9Y63 D90 L93 K94 L100 C101Y63-R97 HydrophobicContact CE2-CG 4.04Å; Y63-R97 PolarHBondContact OH-NE 3.46Å; D90-R97 PolarHBondContact O-NH1 3.01Å; D90-R97 IonicContact OD1-CZ 2.7Å; D90-R97 IonicContact OD1-NH1 2.73Å; D90-R97 PolarHBondContact OD1-NH1 3.44Å; D90-R97 IonicContact OD1-NH2 3.7Å; D90-R97 PolarHBondContact OD1-NH2 2.91Å; D90-R97 IonicContact OD2-NH1 2.73Å; L93-R97 WeakPolarHBondContact O-CG 3.46Å; L93-R97 PolarHBondContact O-N 3.43Å; K94-R97 PolarHBondContact O-N 3Å; R97-L100 PolarHBondContact O-N 3.32Å; R97-C101 PolarHBondContact O-N 3.09Å; R97-C101 PolarHBondContact O-SG 3.01Å; R97-C101 VanDerWaalsContact O-SG 3.34Å
98T90Very high87.7Confident82 Ų8241.8 Ų41.850%0.50323%0.23SC..Hα-helixtrans-64.4-42.3176.749.70000111.8K94 A95 Y96 L100 C101 T102K94-T98 WeakPolarHBondContact O-CG2 3.39Å; K94-T98 PolarHBondContact O-N 3.11Å; K94-T98 PolarHBondContact O-OG1 3.32Å; A95-T98 WeakPolarHBondContact CA-OG1 3.45Å; A95-T98 PolarHBondContact O-N 3.02Å; A95-T98 PolarHBondContact O-OG1 3.27Å; Y96-T98 PolarHBondContact O-N 2.83Å; T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 2.91Å; T98-C101 PolarHBondContact O-N 2.75Å; T98-T102 WeakPolarHBondContact O-CG2 3.26Å; T98-T102 PolarHBondContact O-N 2.9Å
99D88.4Confident87.6Confident37 Ų3749.4 Ų49.420%0.19827%0.267CS..Hα-helixtrans-64.8-39.2177.8-75.2-23.8000111.5A95 Y96 T102 L103 Y125A95-D99 PolarHBondContact O-N 3Å; Y96-D99 PolarHBondContact O-N 2.82Å; D99-T102 WeakPolarHBondContact CA-OG1 3.46Å; D99-T102 PolarHBondContact O-N 3.32Å; D99-T102 PolarHBondContact O-OG1 2.9Å; D99-L103 WeakPolarHBondContact O-CB 3.29Å; D99-L103 WeakPolarHBondContact O-CG 3.49Å; D99-L103 PolarHBondContact O-N 3.22Å; D99-Y125 HydrophobicContact CB-CE2 4.28Å; D99-Y125 WeakPolarHBondContact OD2-CE2 3.47Å; D99-Y125 VanDerWaalsContact OD2-CZ 3.29Å; D99-Y125 PolarHBondContact OD2-OH 2.75Å
100L88.2Confident87.3Confident13 Ų1353 Ų537%0.06829%0.286CS..Hα-helixtrans-61-43.3172-73.5-176.7000112.7L9 Y96 R97 T98 T102 L103 E104 L122L9-L100 HydrophobicContact CB-CD1 4.34Å; L9-L100 HydrophobicContact CB-CD2 3.95Å; L9-L100 HydrophobicContact CD1-CD2 4.07Å; Y96-L100 HydrophobicContact CD1-CD1 3.93Å; Y96-L100 HydrophobicContact CD1-CG 4.41Å; Y96-L100 HydrophobicContact CE1-CD1 3.33Å; Y96-L100 HydrophobicContact CE1-CG 4.05Å; Y96-L100 HydrophobicContact CE2-CD1 4.33Å; Y96-L100 HydrophobicContact CE2-CD2 4.32Å; Y96-L100 HydrophobicContact CE2-CG 4.23Å; Y96-L100 WeakPolarHBondContact O-CG 3.44Å; Y96-L100 PolarHBondContact O-N 2.89Å; R97-L100 PolarHBondContact O-N 3.32Å; T98-L100 VanDerWaalsContact C-N 3.34Å; T98-L100 PolarHBondContact O-N 2.91Å; L100-T102 VanDerWaalsContact C-N 3.34Å; L100-L103 HydrophobicContact CD2-CD1 4.44Å; L100-L103 WeakPolarHBondContact O-CB 3.44Å; L100-L103 PolarHBondContact O-N 3.39Å; L100-E104 PolarHBondContact O-N 2.91Å; L100-L122 HydrophobicContact CD2-CD1 4Å; L100-L122 HydrophobicContact CD2-CD2 4.1Å
101C86.8Confident86.7Confident72 Ų7255.4 Ų55.449%0.48631%0.312SS..Hα-helixtrans-63.8-39.7174.9-68.50000111.6R97 T98 L103 E104 T105R97-C101 PolarHBondContact O-N 3.09Å; R97-C101 PolarHBondContact O-SG 3.01Å; R97-C101 VanDerWaalsContact O-SG 3.34Å; T98-C101 PolarHBondContact O-N 2.75Å; C101-L103 VanDerWaalsContact C-N 3.35Å; C101-E104 WeakPolarHBondContact O-CB 3.35Å; C101-E104 PolarHBondContact O-N 3.32Å; C101-T105 WeakPolarHBondContact O-CG2 3.48Å; C101-T105 PolarHBondContact O-N 2.88Å
102T88.1Confident86.3Confident48 Ų4860.9 Ų60.929%0.29434%0.341SS..Hα-helixtrans-64.6-40.5175.164.80000111.8T98 D99 L100 E104 T105 E106 R121T98-T102 WeakPolarHBondContact O-CG2 3.26Å; T98-T102 PolarHBondContact O-N 2.9Å; D99-T102 WeakPolarHBondContact CA-OG1 3.46Å; D99-T102 PolarHBondContact O-N 3.32Å; D99-T102 PolarHBondContact O-OG1 2.9Å; L100-T102 VanDerWaalsContact C-N 3.34Å; T102-E104 VanDerWaalsContact C-N 3.33Å; T102-E104 PolarHBondContact O-N 3.25Å; T102-T105 WeakPolarHBondContact CA-OG1 2.92Å; T102-T105 PolarHBondContact O-N 3.25Å; T102-T105 PolarHBondContact O-OG1 2.98Å; T102-E106 WeakPolarHBondContact O-CB 3.23Å; T102-E106 VanDerWaalsContact O-CG 3.3Å; T102-E106 WeakPolarHBondContact O-CG 3.3Å; T102-E106 PolarHBondContact O-N 2.91Å; T102-R121 PolarHBondContact OG1-NH2 3.26Å
103L86.8Confident86Confident0 Ų062 Ų620%035%0.346CS..Hα-helixtrans-61.5-41.4174.5-80.5170.9000111.9L6 D99 L100 C101 T105 E106 L107 I118 R121 L122L6-L103 HydrophobicContact CD2-CB 4.38Å; D99-L103 WeakPolarHBondContact O-CB 3.29Å; D99-L103 WeakPolarHBondContact O-CG 3.49Å; D99-L103 PolarHBondContact O-N 3.22Å; L100-L103 HydrophobicContact CD2-CD1 4.44Å; L100-L103 WeakPolarHBondContact O-CB 3.44Å; L100-L103 PolarHBondContact O-N 3.39Å; C101-L103 VanDerWaalsContact C-N 3.35Å; L103-T105 VanDerWaalsContact C-N 3.34Å; L103-T105 PolarHBondContact O-N 2.82Å; L103-E106 PolarHBondContact O-N 3.18Å; L103-L107 WeakPolarHBondContact O-CB 3.41Å; L103-L107 WeakPolarHBondContact O-CD1 3.24Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.3Å; L103-I118 HydrophobicContact CD1-CG2 4.31Å; L103-I118 HydrophobicContact CD2-CG1 4.48Å; L103-R121 HydrophobicContact CD1-CB 4.12Å; L103-R121 HydrophobicContact CD2-CB 3.87Å; L103-R121 HydrophobicContact CD2-CG 3.81Å; L103-R121 HydrophobicContact CG-CB 4.24Å; L103-L122 HydrophobicContact CD1-CD1 4.18Å; L103-L122 HydrophobicContact CD1-CD2 3.94Å; L103-L122 HydrophobicContact CD1-CG 3.87Å
104E87.5Confident85.6Confident96 Ų9663.4 Ų63.445%0.44936%0.36SS..Hα-helixtrans-59.5-45.8174-174.3177.4-163.300111L6 L100 C101 T102 L107 L108L6-E104 HydrophobicContact CD1-CB 4.03Å; L6-E104 HydrophobicContact CD1-CG 4.2Å; L100-E104 PolarHBondContact O-N 2.91Å; C101-E104 WeakPolarHBondContact O-CB 3.35Å; C101-E104 PolarHBondContact O-N 3.32Å; T102-E104 VanDerWaalsContact C-N 3.33Å; T102-E104 PolarHBondContact O-N 3.25Å; E104-L107 PolarHBondContact O-N 3.42Å; E104-L108 HydrophobicContact CG-CD1 4.27Å; E104-L108 WeakPolarHBondContact O-CB 3.5Å; E104-L108 VanDerWaalsContact O-CG 3.23Å; E104-L108 WeakPolarHBondContact O-CG 3.33Å; E104-L108 PolarHBondContact O-N 3.34Å
105T87.3Confident85.2Confident77 Ų7758.8 Ų58.847%0.47234%0.34SS..Hα-helixtrans-65.4-40176.359.80000112.9C101 T102 L103 L108 M109C101-T105 WeakPolarHBondContact O-CG2 3.48Å; C101-T105 PolarHBondContact O-N 2.88Å; T102-T105 WeakPolarHBondContact CA-OG1 2.92Å; T102-T105 PolarHBondContact O-N 3.25Å; T102-T105 PolarHBondContact O-OG1 2.98Å; L103-T105 VanDerWaalsContact C-N 3.34Å; L103-T105 PolarHBondContact O-N 2.82Å; T105-L108 PolarHBondContact O-N 3.24Å; T105-M109 VanDerWaalsContact O-CG 3.28Å; T105-M109 WeakPolarHBondContact O-CG 3.39Å; T105-M109 PolarHBondContact O-N 3.47Å
106E87.7Confident85Confident50 Ų5060.5 Ų60.523%0.23435%0.349CS..Hα-helixtrans-63.3-45.1178-74.2171-163.300110.7T102 L103 L108 M109 D110 L113 H117 R121T102-E106 WeakPolarHBondContact O-CB 3.23Å; T102-E106 VanDerWaalsContact O-CG 3.3Å; T102-E106 WeakPolarHBondContact O-CG 3.3Å; T102-E106 PolarHBondContact O-N 2.91Å; L103-E106 PolarHBondContact O-N 3.18Å; E106-L108 VanDerWaalsContact C-N 3.31Å; E106-L108 PolarHBondContact O-N 3.48Å; E106-M109 PolarHBondContact O-N 2.92Å; E106-M109 VanDerWaalsContact O-N 3.15Å; E106-D110 PolarHBondContact O-N 3.01Å; E106-L113 HydrophobicContact CB-CD1 4.07Å; E106-H117 IonicContact OE2-CD2 3.01Å; E106-H117 IonicContact OE2-CE1 2.85Å; E106-H117 IonicContact OE2-NE2 3.15Å; E106-H117 PolarHBondContact OE2-NE2 2.87Å; E106-R121 IonicContact OE1-CZ 3.23Å; E106-R121 IonicContact OE1-NE 3.5Å; E106-R121 IonicContact OE1-NH2 3.97Å; E106-R121 PolarHBondContact OE1-NH2 2.86Å; E106-R121 IonicContact OE2-NE 2.8Å
107L83.4Confident84.9Confident14 Ų1462.9 Ų62.97%0.07336%0.36CS..Hα-helixtrans-67.5-28.6177.1-72.7164.1000113.3L2 L6 L103 E104 L113 I118L2-L107 HydrophobicContact CD1-CD2 4.06Å; L6-L107 HydrophobicContact CD1-CD1 3.74Å; L6-L107 HydrophobicContact CD2-CD1 4.14Å; L6-L107 HydrophobicContact CG-CD1 4.14Å; L103-L107 WeakPolarHBondContact O-CB 3.41Å; L103-L107 WeakPolarHBondContact O-CD1 3.24Å; L103-L107 VanDerWaalsContact O-CG 3.26Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.3Å; E104-L107 PolarHBondContact O-N 3.42Å; L107-L113 HydrophobicContact CD2-CB 3.95Å; L107-L113 WeakPolarHBondContact CD2-O 3.43Å; L107-I118 HydrophobicContact CD1-CD1 3.95Å; L107-I118 HydrophobicContact CD1-CG1 4.26Å
108L83.7Confident84.6Confident105 Ų10560.6 Ų60.655%0.5535%0.352SS..Hα-helixtrans-74.3-29.3172.1-73.1171.9000112.6E104 T105 E106E104-L108 HydrophobicContact CG-CD1 4.27Å; E104-L108 WeakPolarHBondContact O-CB 3.5Å; E104-L108 VanDerWaalsContact O-CG 3.23Å; E104-L108 WeakPolarHBondContact O-CG 3.33Å; E104-L108 PolarHBondContact O-N 3.34Å; T105-L108 PolarHBondContact O-N 3.24Å; E106-L108 VanDerWaalsContact C-N 3.31Å; E106-L108 PolarHBondContact O-N 3.48Å
109M86Confident84.3Confident161 Ų16157.8 Ų57.879%0.79334%0.335SS*.Hα-helixtrans-84.6-37.6179.3-67.8-59.4112.200112.7T105 E106T105-M109 VanDerWaalsContact O-CG 3.28Å; T105-M109 WeakPolarHBondContact O-CG 3.39Å; T105-M109 PolarHBondContact O-N 3.47Å; E106-M109 PolarHBondContact O-N 2.92Å; E106-M109 VanDerWaalsContact O-N 3.15Å
110D82.3Confident84.2Confident74 Ų7464.4 Ų64.440%0.39636%0.359SS..  trans-132.7103.2-178.4-171.9-2.6000110.5E106 D112 L113E106-D110 PolarHBondContact O-N 3.01Å; D110-D112 PolarHBondContact O-N 2.93Å; D110-D112 WeakPolarHBondContact OD1-CB 3.34Å; D110-D112 PolarHBondContact OD1-N 2.79Å; D110-L113 HydrophobicContact CB-CD1 3.83Å; D110-L113 HydrophobicContact CB-CG 3.99Å; D110-L113 PolarHBondContact O-N 3.42Å
111A77.3Confident84.1Confident87 Ų8767.7 Ų67.772%0.71937%0.37SS*.THydrogen-bonded Turntrans-74.1-11.4-179.200000113.4L113A111-L113 VanDerWaalsContact C-N 3.25Å; A111-L113 PolarHBondContact O-N 3.48Å
112D79.2Confident84Confident154 Ų15464.4 Ų64.482%0.82435%0.348SS*.THydrogen-bonded Turntrans-82-5.8179.1-66.1-21.9000112.2D110 G114D110-D112 PolarHBondContact O-N 2.93Å; D110-D112 WeakPolarHBondContact OD1-CB 3.34Å; D110-D112 PolarHBondContact OD1-N 2.79Å; D112-G114 PolarHBondContact O-N 3.23Å
113L79.4Confident84Confident37 Ų3767.6 Ų67.619%0.19436%0.359CS..  trans-70.7110.8175.8-67.6169.7000111.2E106 L107 D110 A111 H117E106-L113 HydrophobicContact CB-CD1 4.07Å; L107-L113 HydrophobicContact CD2-CB 3.95Å; L107-L113 WeakPolarHBondContact CD2-O 3.43Å; D110-L113 HydrophobicContact CB-CD1 3.83Å; D110-L113 HydrophobicContact CB-CG 3.99Å; D110-L113 PolarHBondContact O-N 3.42Å; A111-L113 VanDerWaalsContact C-N 3.25Å; A111-L113 PolarHBondContact O-N 3.48Å; L113-H117 HydrophobicContact CD2-CB 4.32Å
114G81.2Confident83.8Confident29 Ų2971.1 Ų71.130%0.29938%0.384SS..  trans-82.6178.7178.800000115.2D112 S116 H117D112-G114 PolarHBondContact O-N 3.23Å; G114-S116 PolarHBondContact O-N 2.95Å; G114-S116 VanDerWaalsContact O-N 3.16Å; G114-H117 WeakPolarHBondContact O-CB 3.39Å; G114-H117 PolarHBondContact O-N 3.45Å
115V79.1Confident83.8Confident4 Ų467.3 Ų67.32%0.02437%0.365CS..Hα-helixtrans-56.8-30.1178.3-1690000113L2 L5 E49 L52 Y53 L56 H117 I118 S119L2-V115 HydrophobicContact CD2-CG2 3.86Å; L5-V115 HydrophobicContact CD2-CG1 4.46Å; E49-V115 HydrophobicContact CG-CG2 4.45Å; L52-V115 HydrophobicContact CB-CG1 3.84Å; L52-V115 HydrophobicContact CD1-CG1 4.45Å; Y53-V115 HydrophobicContact CD1-CG1 4.45Å; Y53-V115 HydrophobicContact CE1-CG1 4.23Å; Y53-V115 HydrophobicContact CE1-CG2 3.93Å; Y53-V115 HydrophobicContact CE2-CG2 3.75Å; Y53-V115 WeakPolarHBondContact OH-CG2 3.39Å; L56-V115 HydrophobicContact CD1-CG1 3.75Å; V115-H117 VanDerWaalsContact C-N 3.27Å; V115-H117 PolarHBondContact O-N 3.45Å; V115-I118 PolarHBondContact O-N 2.95Å; V115-S119 PolarHBondContact O-N 3.49Å
116S83.3Confident83.7Confident83 Ų8367.7 Ų67.758%0.5836%0.36SS*.Hα-helixtrans-60-36.5176.6500000112.4G114 S119 Y120G114-S116 PolarHBondContact O-N 2.95Å; G114-S116 VanDerWaalsContact O-N 3.16Å; S116-S119 PolarHBondContact O-N 2.94Å; S116-Y120 WeakPolarHBondContact O-CB 3.46Å; S116-Y120 PolarHBondContact O-N 2.93Å
117H85.9Confident83.5Confident50 Ų5069.1 Ų69.123%0.23137%0.369CS..Hα-helixtrans-67.9-43.2176.8-174.862.4000111.6E106 L113 G114 V115 S119 Y120 R121E106-H117 IonicContact OE2-CD2 3.01Å; E106-H117 IonicContact OE2-CE1 2.85Å; E106-H117 IonicContact OE2-NE2 3.15Å; E106-H117 PolarHBondContact OE2-NE2 2.87Å; L113-H117 HydrophobicContact CD2-CB 4.32Å; G114-H117 WeakPolarHBondContact O-CB 3.39Å; G114-H117 PolarHBondContact O-N 3.45Å; V115-H117 VanDerWaalsContact C-N 3.27Å; V115-H117 PolarHBondContact O-N 3.45Å; H117-S119 PolarHBondContact O-N 3.44Å; H117-Y120 PolarHBondContact O-N 2.86Å; H117-R121 WeakPolarHBondContact O-CG 3.36Å; H117-R121 PolarHBondContact O-N 3.47Å
118I84.6Confident83.6Confident0 Ų069.5 Ų69.50%037%0.371CS..Hα-helixtrans-60.3-47174.1-59.1174.5000110.3L2 L5 L9 L56 L103 L107 V115 Y120 R121 L122L2-I118 HydrophobicContact CD2-CD1 4.03Å; L5-I118 HydrophobicContact CD2-CD1 3.98Å; L9-I118 HydrophobicContact CD1-CG2 4.01Å; L56-I118 HydrophobicContact CD1-CB 4.28Å; L56-I118 HydrophobicContact CD1-CG2 3.81Å; L56-I118 HydrophobicContact CD2-CG2 4.14Å; L103-I118 HydrophobicContact CD1-CG2 4.31Å; L103-I118 HydrophobicContact CD2-CG1 4.48Å; L107-I118 HydrophobicContact CD1-CD1 3.95Å; L107-I118 HydrophobicContact CD1-CG1 4.26Å; V115-I118 PolarHBondContact O-N 2.95Å; I118-Y120 VanDerWaalsContact C-N 3.33Å; I118-Y120 PolarHBondContact O-N 2.75Å; I118-R121 PolarHBondContact O-N 3.22Å; I118-L122 HydrophobicContact CG2-CD1 3.76Å; I118-L122 HydrophobicContact CG2-CG 4.43Å; I118-L122 WeakPolarHBondContact O-CB 3.46Å; I118-L122 WeakPolarHBondContact O-CG 3.46Å; I118-L122 PolarHBondContact O-N 3.15Å
119S83.7Confident83.8Confident22 Ų2264.6 Ų64.615%0.15435%0.345CS..Hα-helixtrans-61.7-39.5178-175.10000112.6V115 S116 H117 H123V115-S119 PolarHBondContact O-N 3.49Å; S116-S119 PolarHBondContact O-N 2.94Å; H117-S119 PolarHBondContact O-N 3.44Å; S119-H123 WeakPolarHBondContact O-CB 3.25Å; S119-H123 PolarHBondContact O-N 3.5Å
120Y87.2Confident83.8Confident177 Ų17758.3 Ų58.369%0.69432%0.317SS*.Hα-helixtrans-63.9-49.6175.9173.2-104.6000112.1S116 H117 I118 L122 H123S116-Y120 WeakPolarHBondContact O-CB 3.46Å; S116-Y120 PolarHBondContact O-N 2.93Å; H117-Y120 PolarHBondContact O-N 2.86Å; I118-Y120 VanDerWaalsContact C-N 3.33Å; I118-Y120 PolarHBondContact O-N 2.75Å; Y120-L122 VanDerWaalsContact C-N 3.3Å; Y120-L122 PolarHBondContact O-N 3Å; Y120-H123 VanDerWaalsContact O-CB 3.3Å; Y120-H123 WeakPolarHBondContact O-CB 3.27Å; Y120-H123 PolarHBondContact O-N 3.39Å
121R84.6Confident84Confident82 Ų8255.8 Ų55.831%0.30930%0.304SS..Hα-helixtrans-64.9-35-179.6-68.8-74.2-102138.9-2.3112T102 L103 E106 H117 I118T102-R121 PolarHBondContact OG1-NH2 3.26Å; L103-R121 HydrophobicContact CD1-CB 4.12Å; L103-R121 HydrophobicContact CD2-CB 3.87Å; L103-R121 HydrophobicContact CD2-CG 3.81Å; L103-R121 HydrophobicContact CG-CB 4.24Å; E106-R121 IonicContact OE1-CZ 3.23Å; E106-R121 IonicContact OE1-NE 3.5Å; E106-R121 IonicContact OE1-NH2 3.97Å; E106-R121 PolarHBondContact OE1-NH2 2.86Å; E106-R121 IonicContact OE2-NE 2.8Å; H117-R121 WeakPolarHBondContact O-CG 3.36Å; H117-R121 PolarHBondContact O-N 3.47Å; I118-R121 PolarHBondContact O-N 3.22Å
122L86.6Confident84.4Confident2 Ų251.8 Ų51.81%0.0127%0.27CS..THydrogen-bonded Turntrans-89.92.3-179.7-61.3179.8000114.6L9 L56 L59 Y96 L100 L103 I118 Y120 S124 Y125L9-L122 HydrophobicContact CD1-CD1 3.74Å; L9-L122 HydrophobicContact CD2-CD1 4.11Å; L56-L122 HydrophobicContact CD2-CB 4.32Å; L56-L122 HydrophobicContact CD2-CD1 3.93Å; L59-L122 HydrophobicContact CD1-CB 3.92Å; L59-L122 HydrophobicContact CD1-CD1 4.38Å; Y96-L122 HydrophobicContact CD2-CD2 4.14Å; Y96-L122 HydrophobicContact CE2-CD2 3.88Å; L100-L122 HydrophobicContact CD2-CD1 4Å; L100-L122 HydrophobicContact CD2-CD2 4.1Å; L103-L122 HydrophobicContact CD1-CD1 4.18Å; L103-L122 HydrophobicContact CD1-CD2 3.94Å; L103-L122 HydrophobicContact CD1-CG 3.87Å; I118-L122 HydrophobicContact CG2-CD1 3.76Å; I118-L122 HydrophobicContact CG2-CG 4.43Å; I118-L122 WeakPolarHBondContact O-CB 3.46Å; I118-L122 WeakPolarHBondContact O-CG 3.46Å; I118-L122 PolarHBondContact O-N 3.15Å; Y120-L122 VanDerWaalsContact C-N 3.3Å; Y120-L122 PolarHBondContact O-N 3Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 3.3Å; L122-Y125 HydrophobicContact CD2-CD2 3.99Å; L122-Y125 HydrophobicContact CD2-CE2 4.32Å; L122-Y125 PolarHBondContact O-N 3.48Å
123H86.4Confident84.7Confident115 Ų11544.4 Ų44.453%0.53223%0.231SC..THydrogen-bonded Turntrans-59-36.8-173.6-17274.8000113.5S119 Y120 Y125 K126S119-H123 WeakPolarHBondContact O-CB 3.25Å; S119-H123 PolarHBondContact O-N 3.5Å; Y120-H123 VanDerWaalsContact O-CB 3.3Å; Y120-H123 WeakPolarHBondContact O-CB 3.27Å; Y120-H123 PolarHBondContact O-N 3.39Å; H123-Y125 VanDerWaalsContact C-N 3.28Å; H123-Y125 PolarHBondContact O-N 2.84Å; H123-K126 VanDerWaalsContact O-CB 3.29Å; H123-K126 WeakPolarHBondContact O-CB 3.36Å; H123-K126 PolarHBondContact O-N 3.38Å
124S84.5Confident85Confident74 Ų7448 Ų4852%0.51725%0.245SC..THydrogen-bonded Turntrans-61.6-34.9177.752.50000112.7L122 K126L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 3.3Å; S124-K126 VanDerWaalsContact C-N 3.33Å; S124-K126 PolarHBondContact O-N 2.95Å
125Y86.3Confident85.2Confident17 Ų1746.6 Ų46.67%0.06723%0.231CC..Hα-helixtrans-77.4-17.5-178.2-58.7-73.6000113.5A95 Y96 D99 L122 H123 I127 L128 L129A95-Y125 WeakPolarHBondContact CB-OH 3.31Å; A95-Y125 PolarHBondContact O-OH 3.27Å; Y96-Y125 AromaticContact CD2-CD1 3.99Å; Y96-Y125 HydrophobicContact CD2-CD1 3.99Å; Y96-Y125 AromaticContact CD2-CD2 3.78Å; Y96-Y125 HydrophobicContact CD2-CD2 3.78Å; Y96-Y125 HydrophobicContact CD2-CE1 4.37Å; Y96-Y125 HydrophobicContact CD2-CE2 4.16Å; Y96-Y125 AromaticContact CD2-CG 3.69Å; Y96-Y125 HydrophobicContact CD2-CG 3.69Å; Y96-Y125 HydrophobicContact CE2-CG 4.47Å; Y96-Y125 HydrophobicContact CG-CD1 4.43Å; Y96-Y125 PolarHBondContact N-OH 2.83Å; D99-Y125 HydrophobicContact CB-CE2 4.28Å; D99-Y125 WeakPolarHBondContact OD2-CE2 3.47Å; D99-Y125 VanDerWaalsContact OD2-CZ 3.29Å; D99-Y125 PolarHBondContact OD2-OH 2.75Å; L122-Y125 HydrophobicContact CD2-CD2 3.99Å; L122-Y125 HydrophobicContact CD2-CE2 4.32Å; L122-Y125 PolarHBondContact O-N 3.48Å; H123-Y125 VanDerWaalsContact C-N 3.28Å; H123-Y125 PolarHBondContact O-N 2.84Å; Y125-I127 PolarHBondContact O-N 3.32Å; Y125-L128 HydrophobicContact CD1-CD2 4.13Å; Y125-L128 HydrophobicContact CE1-CD2 4.4Å; Y125-L128 PolarHBondContact O-N 2.91Å; Y125-L129 PolarHBondContact O-N 2.96Å
126K84.6Confident85.6Confident84 Ų8446.4 Ų46.437%0.36523%0.229SC..Hα-helixtrans-58-29.8174.7-168.7176.2-179.31750113.6E55 L59 H123 S124 P130E55-K126 IonicContact OE1-NZ 3.2Å; E55-K126 PolarHBondContact OE1-NZ 3.25Å; E55-K126 IonicContact OE2-NZ 3.31Å; E55-K126 PolarHBondContact OE2-NZ 3.1Å; L59-K126 HydrophobicContact CD2-CB 4.41Å; H123-K126 VanDerWaalsContact O-CB 3.29Å; H123-K126 WeakPolarHBondContact O-CB 3.36Å; H123-K126 PolarHBondContact O-N 3.38Å; S124-K126 VanDerWaalsContact C-N 3.33Å; S124-K126 PolarHBondContact O-N 2.95Å; K126-P130 WeakPolarHBondContact O-CD 3.47Å; K126-P130 VanDerWaalsContact O-CG 3.29Å; K126-P130 WeakPolarHBondContact O-CG 3.46Å
127I84.5Confident85.7Confident81 Ų8145.2 Ų45.242%0.41521%0.214SC..Hα-helixtrans-94.8-37.8175.8-57.6173.6000110.2Y125 V131 L169 P172Y125-I127 PolarHBondContact O-N 3.32Å; I127-V131 VanDerWaalsContact O-CG2 3.28Å; I127-V131 WeakPolarHBondContact O-CG2 3.33Å; I127-L169 HydrophobicContact CG2-CD1 3.91Å; I127-P172 HydrophobicContact CG2-CG 3.89Å
128L86Confident85.5Confident22 Ų2246.4 Ų46.412%0.11522%0.218CC..Hα-helixtrans-70.5-53.3-172.3178.760.2000113.5Y125 V131 L132 P172 T175Y125-L128 HydrophobicContact CD1-CD2 4.13Å; Y125-L128 HydrophobicContact CE1-CD2 4.4Å; Y125-L128 PolarHBondContact O-N 2.91Å; L128-V131 PolarHBondContact O-N 3.5Å; L128-L132 HydrophobicContact CD1-CD1 4.23Å; L128-L132 HydrophobicContact CD1-CG 4.23Å; L128-L132 HydrophobicContact CG-CD1 4.13Å; L128-L132 PolarHBondContact O-N 2.97Å; L128-P172 HydrophobicContact CD1-CB 4.42Å; L128-T175 HydrophobicContact CD1-CG2 4.01Å; L128-T175 WeakPolarHBondContact CD1-OG1 3.46Å
129L87.5Confident85.4Confident1 Ų146.5 Ų46.51%0.00522%0.219CC..Hα-helixtrans-62.7-44.4-174.1-65.1179.4000112.4L59 C62 L66 L93 Y96 Y125 V131 L132 V133L59-L129 HydrophobicContact CB-CD1 4.3Å; L59-L129 HydrophobicContact CD2-CD1 4.24Å; C62-L129 HydrophobicContact CB-CB 3.84Å; C62-L129 HydrophobicContact CB-CD1 4.47Å; L66-L129 HydrophobicContact CD1-CD2 3.96Å; L93-L129 HydrophobicContact CD2-CD2 3.48Å; L93-L129 VanDerWaalsContact CD2-CD2 3.48Å; Y96-L129 HydrophobicContact CD2-CD1 4.36Å; Y96-L129 HydrophobicContact CE2-CD1 4.19Å; Y125-L129 PolarHBondContact O-N 2.96Å; L129-V131 VanDerWaalsContact C-N 3.29Å; L129-V131 PolarHBondContact O-N 2.75Å; L129-L132 HydrophobicContact CD2-CD1 4.4Å; L129-L132 WeakPolarHBondContact O-CB 3.43Å; L129-L132 PolarHBondContact O-N 3.3Å; L129-L132 VanDerWaalsContact O-N 3.17Å; L129-V133 WeakPolarHBondContact O-CG2 3.45Å; L129-V133 PolarHBondContact O-N 3.13Å
130P86.3Confident85.3Confident30 Ų3047 Ų4720%0.19522%0.218CC..Hα-helixtrans-59.7-36175.5-29.940.5000113.7L29 K126 K134L29-P130 HydrophobicContact CD1-CB 4.26Å; L29-P130 HydrophobicContact CD2-CB 3.79Å; K126-P130 WeakPolarHBondContact O-CD 3.47Å; K126-P130 VanDerWaalsContact O-CG 3.29Å; K126-P130 WeakPolarHBondContact O-CG 3.46Å; P130-K134 WeakPolarHBondContact O-CG 3.48Å; P130-K134 PolarHBondContact O-N 3.33Å
131V85.1Confident85Confident21 Ų2143.2 Ų43.213%0.12721%0.211CC..Hα-helixtrans-67.8-44175.8173.60000110.6I127 L128 L129 V133 K134 V135 P166 P172 I176I127-V131 VanDerWaalsContact O-CG2 3.28Å; I127-V131 WeakPolarHBondContact O-CG2 3.33Å; L128-V131 PolarHBondContact O-N 3.5Å; L129-V131 VanDerWaalsContact C-N 3.29Å; L129-V131 PolarHBondContact O-N 2.75Å; V131-V133 PolarHBondContact O-N 3.08Å; V131-K134 PolarHBondContact O-N 3.44Å; V131-V135 WeakPolarHBondContact O-CG2 3.37Å; V131-V135 PolarHBondContact O-N 3.02Å; V131-P166 HydrophobicContact CG1-CG 3.74Å; V131-P166 HydrophobicContact CG2-CG 4.2Å; V131-P172 HydrophobicContact CB-CB 4.25Å; V131-P172 HydrophobicContact CG1-CB 3.96Å; V131-P172 HydrophobicContact CG2-CB 4.32Å; V131-P172 HydrophobicContact CG2-CG 4.24Å; V131-I176 HydrophobicContact CG1-CD1 4.22Å
132L86.7Confident84.5Confident2 Ų241.8 Ų41.81%0.0121%0.209CC..Hα-helixtrans-59.3-46.4174.9-72.7175.9000111.5L66 S92 L128 L129 K134 V135 T136 T175 L179L66-L132 HydrophobicContact CD1-CB 3.92Å; L66-L132 HydrophobicContact CD1-CD1 4.32Å; L66-L132 HydrophobicContact CD2-CB 4.22Å; S92-L132 WeakPolarHBondContact OG-CD1 3.29Å; L128-L132 HydrophobicContact CD1-CD1 4.23Å; L128-L132 HydrophobicContact CD1-CG 4.23Å; L128-L132 HydrophobicContact CG-CD1 4.13Å; L128-L132 PolarHBondContact O-N 2.97Å; L129-L132 HydrophobicContact CD2-CD1 4.4Å; L129-L132 WeakPolarHBondContact O-CB 3.43Å; L129-L132 PolarHBondContact O-N 3.3Å; L129-L132 VanDerWaalsContact O-N 3.17Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 3.07Å; L132-V135 PolarHBondContact O-N 3.47Å; L132-V135 VanDerWaalsContact O-N 3.16Å; L132-T136 WeakPolarHBondContact O-CB 3.4Å; L132-T136 PolarHBondContact O-N 3.49Å; L132-T136 PolarHBondContact O-OG1 3.06Å; L132-T175 HydrophobicContact CD1-CG2 4.18Å; L132-T175 HydrophobicContact CD2-CG2 3.82Å; L132-T175 HydrophobicContact CG-CG2 4.41Å; L132-L179 HydrophobicContact CD2-CD1 3.81Å
133V86.4Confident83.8Confident0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-56.7-46175.7170.70000111.1L29 L31 C62 Y65 L66 L129 V131 V135 T136 K137L29-V133 HydrophobicContact CD2-CB 4.43Å; L29-V133 HydrophobicContact CD2-CG1 4.27Å; L31-V133 HydrophobicContact CD1-CG1 4.24Å; L31-V133 HydrophobicContact CD2-CG1 3.78Å; L31-V133 HydrophobicContact CG-CG1 4.24Å; C62-V133 HydrophobicContact CB-CG2 3.72Å; Y65-V133 HydrophobicContact CD1-CB 4.41Å; Y65-V133 HydrophobicContact CD1-CG1 3.92Å; Y65-V133 HydrophobicContact CD1-CG2 4.06Å; Y65-V133 HydrophobicContact CE1-CG1 4.02Å; L66-V133 HydrophobicContact CD1-CG2 4.23Å; L66-V133 HydrophobicContact CD2-CG2 4.23Å; L66-V133 HydrophobicContact CG-CG2 4.01Å; L129-V133 WeakPolarHBondContact O-CG2 3.45Å; L129-V133 PolarHBondContact O-N 3.13Å; V131-V133 PolarHBondContact O-N 3.08Å; V133-V135 VanDerWaalsContact C-N 3.35Å; V133-V135 PolarHBondContact O-N 2.91Å; V133-T136 PolarHBondContact O-N 3.19Å; V133-K137 WeakPolarHBondContact O-CB 3.48Å; V133-K137 PolarHBondContact O-N 3.4Å
134K85.4Confident83Confident112 Ų11241.2 Ų41.249%0.48721%0.213SC..Hα-helixtrans-60.8-41.4177.4-74179.4-179-171.80112.5D28 L29 P130 V131 L132 K138D28-K134 WeakPolarHBondContact O-CE 3.38Å; L29-K134 HydrophobicContact CD2-CD 4.44Å; L29-K134 HydrophobicContact CD2-CG 4.02Å; P130-K134 WeakPolarHBondContact O-CG 3.48Å; P130-K134 PolarHBondContact O-N 3.33Å; V131-K134 PolarHBondContact O-N 3.44Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 3.07Å; K134-K138 WeakPolarHBondContact O-CB 3.36Å; K134-K138 PolarHBondContact O-N 3.1Å
135V85.2Confident82Confident0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-67.4-50.6176.9176.40000110.6F85 V131 L132 V133 K137 K138 V139 I161 A164F85-V135 HydrophobicContact CE2-CG1 4.34Å; F85-V135 HydrophobicContact CZ-CG1 4.17Å; V131-V135 WeakPolarHBondContact O-CG2 3.37Å; V131-V135 PolarHBondContact O-N 3.02Å; L132-V135 PolarHBondContact O-N 3.47Å; L132-V135 VanDerWaalsContact O-N 3.16Å; V133-V135 VanDerWaalsContact C-N 3.35Å; V133-V135 PolarHBondContact O-N 2.91Å; V135-K137 VanDerWaalsContact C-N 3.35Å; V135-K137 PolarHBondContact O-N 2.98Å; V135-K138 PolarHBondContact O-N 3.3Å; V135-V139 WeakPolarHBondContact O-CG2 3.4Å; V135-V139 PolarHBondContact O-N 2.92Å; V135-I161 HydrophobicContact CG1-CG1 4.31Å; V135-I161 HydrophobicContact CG1-CG2 4.38Å; V135-A164 HydrophobicContact CB-CB 4.33Å; V135-A164 HydrophobicContact CG1-CB 4.22Å; V135-A164 HydrophobicContact CG2-CB 3.88Å
136T86.5Confident80.4Confident0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-58.9-44.3179.5-58.50000111.6Y65 L66 F69 I89 L132 V133 K138 V139 E140Y65-T136 HydrophobicContact CE1-CG2 4.07Å; L66-T136 HydrophobicContact CD2-CG2 4.19Å; L66-T136 WeakPolarHBondContact CD2-OG1 3.4Å; F69-T136 HydrophobicContact CB-CG2 3.97Å; F69-T136 HydrophobicContact CD1-CG2 3.63Å; F69-T136 HydrophobicContact CD2-CG2 3.33Å; F69-T136 HydrophobicContact CE1-CG2 3.91Å; F69-T136 HydrophobicContact CE2-CG2 3.63Å; F69-T136 HydrophobicContact CG-CG2 3.34Å; F69-T136 HydrophobicContact CZ-CG2 3.92Å; I89-T136 HydrophobicContact CD1-CG2 4.17Å; I89-T136 VanDerWaalsContact CD1-OG1 3.32Å; I89-T136 WeakPolarHBondContact CD1-OG1 3.48Å; L132-T136 WeakPolarHBondContact O-CB 3.4Å; L132-T136 PolarHBondContact O-N 3.49Å; L132-T136 PolarHBondContact O-OG1 3.06Å; V133-T136 PolarHBondContact O-N 3.19Å; T136-K138 PolarHBondContact O-N 3.23Å; T136-V139 CarbonylContact O-C 3.59Å; T136-V139 WeakPolarHBondContact O-CB 3.48Å; T136-V139 PolarHBondContact O-N 2.94Å; T136-V139 VanDerWaalsContact O-N 3.14Å; T136-E140 WeakPolarHBondContact O-CB 3.39Å; T136-E140 PolarHBondContact O-N 3.19Å
137K85.1Confident78.7Confident58 Ų5848.9 Ų48.925%0.25226%0.256SS..Hα-helixtrans-64.3-39.2177.5-170.1178.9-170.4-175.70112.6L29 G30 Y65 V133 V135 V139 E140 N141L29-K137 PolarHBondContact O-NZ 3.49Å; G30-K137 PolarHBondContact O-NZ 3.03Å; Y65-K137 WeakPolarHBondContact OH-CA 3.36Å; V133-K137 WeakPolarHBondContact O-CB 3.48Å; V133-K137 PolarHBondContact O-N 3.4Å; V135-K137 VanDerWaalsContact C-N 3.35Å; V135-K137 PolarHBondContact O-N 2.98Å; K137-V139 VanDerWaalsContact C-N 3.3Å; K137-V139 PolarHBondContact O-N 2.85Å; K137-E140 PolarHBondContact O-N 2.9Å; K137-N141 WeakPolarHBondContact O-CB 3.42Å; K137-N141 PolarHBondContact O-N 3.49Å; K137-N141 PolarHBondContact O-ND2 3.14Å
138K83Confident76.9Confident75 Ų7547.4 Ų47.433%0.32625%0.252SS..Hα-helixtrans-64.6-37.5174.3-176.8169.2164.1-158.70111.4K134 V135 T136 I142 T160 S163 A164K134-K138 WeakPolarHBondContact O-CB 3.36Å; K134-K138 PolarHBondContact O-N 3.1Å; V135-K138 PolarHBondContact O-N 3.3Å; T136-K138 PolarHBondContact O-N 3.23Å; K138-I142 WeakPolarHBondContact O-CD1 3.09Å; K138-I142 VanDerWaalsContact O-CG1 3.29Å; K138-I142 WeakPolarHBondContact O-CG1 3.32Å; K138-I142 PolarHBondContact O-N 3.42Å; K138-T160 PolarHBondContact NZ-O 3.3Å; K138-S163 PolarHBondContact NZ-O 2.63Å; K138-S163 PolarHBondContact NZ-OG 2.86Å; K138-A164 HydrophobicContact CD-CB 3.86Å
139V81.9Confident75.1Confident2 Ų251.3 Ų51.31%0.01228%0.276CS..Hα-helixtrans-66.3-50.3172.8171.40000110.8F69 L82 F85 V135 T136 K137 N141 I142 V143 L157 I161F69-V139 HydrophobicContact CZ-CG1 4.44Å; L82-V139 HydrophobicContact CD1-CG1 4.03Å; F85-V139 HydrophobicContact CD1-CG1 4.21Å; F85-V139 HydrophobicContact CE1-CB 4.06Å; F85-V139 HydrophobicContact CE1-CG1 3.93Å; F85-V139 HydrophobicContact CE1-CG2 4.03Å; F85-V139 HydrophobicContact CZ-CB 4.4Å; F85-V139 HydrophobicContact CZ-CG2 3.93Å; V135-V139 WeakPolarHBondContact O-CG2 3.4Å; V135-V139 PolarHBondContact O-N 2.92Å; T136-V139 CarbonylContact O-C 3.59Å; T136-V139 WeakPolarHBondContact O-CB 3.48Å; T136-V139 PolarHBondContact O-N 2.94Å; T136-V139 VanDerWaalsContact O-N 3.14Å; K137-V139 VanDerWaalsContact C-N 3.3Å; K137-V139 PolarHBondContact O-N 2.85Å; V139-N141 VanDerWaalsContact C-N 3.33Å; V139-N141 PolarHBondContact O-N 3.32Å; V139-I142 PolarHBondContact O-N 2.88Å; V139-V143 HydrophobicContact CG1-CG2 4.19Å; V139-V143 WeakPolarHBondContact O-CG2 2.9Å; V139-V143 PolarHBondContact O-N 3.48Å; V139-L157 HydrophobicContact CB-CD1 4.22Å; V139-L157 HydrophobicContact CG1-CD1 3.53Å; V139-L157 HydrophobicContact CG2-CD1 3.7Å; V139-I161 HydrophobicContact CG2-CG1 4.12Å
140E82.2Confident73.3Confident31 Ų3153.4 Ų53.415%0.14530%0.298CS..Hα-helixtrans-58.8-41.5180-173.3175.8-159.900112.1Y65 F69 R72 F73 T136 K137 I142 V143 T144Y65-E140 PolarHBondContact OH-OE2 3.29Å; F69-E140 HydrophobicContact CD2-CB 4.39Å; F69-E140 HydrophobicContact CE2-CB 4.07Å; R72-E140 IonicContact NH1-OE1 3.73Å; R72-E140 PolarHBondContact NH1-OE1 3.08Å; F73-E140 HydrophobicContact CE2-CG 4.49Å; T136-E140 WeakPolarHBondContact O-CB 3.39Å; T136-E140 PolarHBondContact O-N 3.19Å; K137-E140 PolarHBondContact O-N 2.9Å; E140-I142 VanDerWaalsContact C-N 3.28Å; E140-I142 PolarHBondContact O-N 2.85Å; E140-V143 PolarHBondContact O-N 3.38Å; E140-T144 VanDerWaalsContact O-CB 3.24Å; E140-T144 WeakPolarHBondContact O-CB 3.39Å; E140-T144 PolarHBondContact O-N 3.35Å; E140-T144 PolarHBondContact O-OG1 2.83Å
141N79.6Confident71.6Confident99 Ų9953.9 Ų53.953%0.52930%0.3SS..Hα-helixtrans-60.2-37.8176.3-76.2-18.4000112.4K137 V139 S145K137-N141 WeakPolarHBondContact O-CB 3.42Å; K137-N141 PolarHBondContact O-N 3.49Å; K137-N141 PolarHBondContact O-ND2 3.14Å; V139-N141 VanDerWaalsContact C-N 3.33Å; V139-N141 PolarHBondContact O-N 3.32Å; N141-S145 VanDerWaalsContact O-CB 3.29Å; N141-S145 WeakPolarHBondContact O-CB 3.26Å; N141-S145 PolarHBondContact O-N 2.96Å; N141-S145 VanDerWaalsContact O-N 3.14Å
142I75.3Confident70.2Confident52 Ų5259.6 Ų59.627%0.26732%0.319SS..Hα-helixtrans-71.9-46.1178.4-66.3168.9000109.9K138 V139 E140 T144 S145 V151 T160K138-I142 WeakPolarHBondContact O-CD1 3.09Å; K138-I142 VanDerWaalsContact O-CG1 3.29Å; K138-I142 WeakPolarHBondContact O-CG1 3.32Å; K138-I142 PolarHBondContact O-N 3.42Å; V139-I142 PolarHBondContact O-N 2.88Å; E140-I142 VanDerWaalsContact C-N 3.28Å; E140-I142 PolarHBondContact O-N 2.85Å; I142-T144 PolarHBondContact O-N 3.35Å; I142-S145 PolarHBondContact O-N 3.36Å; I142-S145 PolarHBondContact O-OG 3.43Å; I142-V151 HydrophobicContact CG2-CG1 4.32Å; I142-T160 HydrophobicContact CD1-CG2 3.42Å; I142-T160 VanDerWaalsContact CD1-CG2 3.42Å
143V72.4Confident68.8Low26 Ų2659.9 Ų59.916%0.15832%0.322CS..Hα-helixtrans-64-40.7180177.40000111.9F73 L82 V139 E140F73-V143 HydrophobicContact CE1-CG1 4.04Å; F73-V143 HydrophobicContact CZ-CG1 4.4Å; L82-V143 HydrophobicContact CD1-CG2 4.35Å; L82-V143 HydrophobicContact CD2-CG1 4.22Å; L82-V143 HydrophobicContact CD2-CG2 4.32Å; V139-V143 HydrophobicContact CG1-CG2 4.19Å; V139-V143 WeakPolarHBondContact O-CG2 2.9Å; V139-V143 PolarHBondContact O-N 3.48Å; E140-V143 PolarHBondContact O-N 3.38Å
144T68.9Low67.9Low78 Ų7860 Ų6048%0.47932%0.322SS..Hα-helixtrans-81.6-18.1-176.8-46.80000112.3E140 I142 P146E140-T144 VanDerWaalsContact O-CB 3.24Å; E140-T144 WeakPolarHBondContact O-CB 3.39Å; E140-T144 PolarHBondContact O-N 3.35Å; E140-T144 PolarHBondContact O-OG1 2.83Å; I142-T144 PolarHBondContact O-N 3.35Å; T144-P146 WeakPolarHBondContact O-CD 3.41Å
145S64Low67.1Low40 Ų4054.6 Ų54.628%0.2830%0.299SS..  trans-63122.4-179.271.10000111.2N141 I142 Q147 T148N141-S145 VanDerWaalsContact O-CB 3.29Å; N141-S145 WeakPolarHBondContact O-CB 3.26Å; N141-S145 PolarHBondContact O-N 2.96Å; N141-S145 VanDerWaalsContact O-N 3.14Å; I142-S145 PolarHBondContact O-N 3.36Å; I142-S145 PolarHBondContact O-OG 3.43Å; S145-Q147 PolarHBondContact O-N 3.4Å; S145-T148 PolarHBondContact OG-OG1 3.5Å
146P52.8Low66.5Low110 Ų11059.8 Ų59.871%0.71432%0.319SS*.THydrogen-bonded Turntrans-71.4-12.1-173.325.2-33.1000113.8T144T144-P146 WeakPolarHBondContact O-CD 3.41Å
147Q48.9Very low65.9Low186 Ų18660.6 Ų60.687%0.86932%0.323SS*.THydrogen-bonded Turntrans-87.5-15.5-172.7-65.5-178.90.600113.9S145S145-Q147 PolarHBondContact O-N 3.4Å
148T46.9Very low65.4Low51 Ų5157.8 Ų57.831%0.31331%0.311SS..  trans-115.274.4179.147.30000110.7S145 G150 V151S145-T148 PolarHBondContact OG-OG1 3.5Å; T148-G150 PolarHBondContact O-N 3.13Å; T148-V151 HydrophobicContact CG2-CG2 4.23Å; T148-V151 PolarHBondContact O-N 3.15Å
149T47.6Very low65.1Low104 Ų10455.1 Ų55.164%0.63830%0.3SS*.THydrogen-bonded Turntrans-62-24.9178.947.30000113.7
150G49.4Very low64.8Low44 Ų4456 Ų5645%0.45431%0.305SS..THydrogen-bonded Turntrans-92.8-18-179.100000116.2T148 R152T148-G150 PolarHBondContact O-N 3.13Å; G150-R152 VanDerWaalsContact C-N 3.32Å; G150-R152 PolarHBondContact O-N 2.98Å
151V51Low64.6Low40 Ų4054.5 Ų54.524%0.24230%0.298CS..  trans-93.910.8-172.8-168.20000112.1I142 T148 S153I142-V151 HydrophobicContact CG2-CG1 4.32Å; T148-V151 HydrophobicContact CG2-CG2 4.23Å; T148-V151 PolarHBondContact O-N 3.15Å; V151-S153 PolarHBondContact O-N 3.44Å; V151-S153 VanDerWaalsContact O-N 3.08Å
152R55.6Low64.3Low141 Ų14151.4 Ų51.453%0.53228%0.281SS..THydrogen-bonded Turntrans-59.2-29-168.1-72.9-178.9175.3176.90.5114G150G150-R152 VanDerWaalsContact C-N 3.32Å; G150-R152 PolarHBondContact O-N 2.98Å
153S57.9Low64.4Low8 Ų852.7 Ų52.76%0.05630%0.295CS..THydrogen-bonded Turntrans-162.340.8177.5177.20000112.1G79 Y81 L82 V151 E206G79-S153 WeakPolarHBondContact CA-OG 3.46Å; Y81-S153 WeakPolarHBondContact CD2-O 3.41Å; L82-S153 WeakPolarHBondContact CB-OG 3.33Å; L82-S153 PolarHBondContact N-OG 3.28Å; L82-S153 VanDerWaalsContact N-OG 3.09Å; V151-S153 PolarHBondContact O-N 3.44Å; V151-S153 VanDerWaalsContact O-N 3.08Å; S153-E206 WeakPolarHBondContact CB-OE1 3.24Å; S153-E206 WeakPolarHBondContact O-CB 3.42Å; S153-E206 WeakPolarHBondContact O-CG 3.08Å; S153-E206 PolarHBondContact OG-OE1 3.33Å
154S66.2Low64.4Low2 Ų252.6 Ų52.61%0.01430%0.297CS..  trans-80.4166.7179.966.50000113.2R156 L157 N255S154-R156 PolarHBondContact O-N 3.3Å; S154-L157 VanDerWaalsContact O-CB 3.28Å; S154-L157 WeakPolarHBondContact O-CB 3.42Å; S154-L157 PolarHBondContact O-N 2.97Å; S154-N255 WeakPolarHBondContact CB-OD1 3.39Å; S154-N255 PolarHBondContact OG-OD1 3Å
155C67.9Low64.6Low0 Ų049.4 Ų49.40%028%0.278CS..THydrogen-bonded Turntrans-52.1-21.7174.7-156.80000113.2Y81 L157 L158 E206 N255 P257Y81-C155 HydrophobicContact CE1-CB 4.47Å; C155-L157 PolarHBondContact O-N 3.36Å; C155-L158 WeakPolarHBondContact O-CB 3.42Å; C155-L158 WeakPolarHBondContact O-CD1 3.45Å; C155-L158 WeakPolarHBondContact O-CG 3.48Å; C155-L158 PolarHBondContact O-N 3.44Å; C155-L158 VanDerWaalsContact O-N 3.09Å; C155-E206 PolarHBondContact N-O 3.23Å; C155-N255 WeakPolarHBondContact CB-O 3.45Å; C155-P257 HydrophobicContact CB-CG 3.75Å; C155-P257 WeakPolarHBondContact SG-CG 3.21Å
156R73.1Confident64.8Low109 Ų10949.6 Ų49.641%0.41128%0.279SS..THydrogen-bonded Turntrans-62.4-15.9173.7-157.8174.117883.31.1114.2S154 L158 D159 T160 E254S154-R156 PolarHBondContact O-N 3.3Å; R156-L158 PolarHBondContact O-N 3.05Å; R156-L158 VanDerWaalsContact O-N 3.14Å; R156-D159 HydrophobicContact CG-CB 4.45Å; R156-D159 WeakPolarHBondContact O-CB 3.44Å; R156-D159 PolarHBondContact O-N 2.92Å; R156-T160 PolarHBondContact O-N 2.8Å; R156-E254 WeakPolarHBondContact CD-O 3.43Å
157L74.5Confident65.4Low16 Ų1650.1 Ų50.18%0.08428%0.282CS..Hα-helixtrans-52.8-30.2168.2-178.164.7000111.9F85 V139 S154 C155 D159 T160 I161 I183F85-L157 HydrophobicContact CB-CD2 4.11Å; V139-L157 HydrophobicContact CB-CD1 4.22Å; V139-L157 HydrophobicContact CG1-CD1 3.53Å; V139-L157 HydrophobicContact CG2-CD1 3.7Å; S154-L157 VanDerWaalsContact O-CB 3.28Å; S154-L157 WeakPolarHBondContact O-CB 3.42Å; S154-L157 PolarHBondContact O-N 2.97Å; C155-L157 PolarHBondContact O-N 3.36Å; L157-D159 VanDerWaalsContact C-N 3.34Å; L157-D159 PolarHBondContact O-N 2.65Å; L157-T160 PolarHBondContact O-N 3.14Å; L157-T160 PolarHBondContact O-OG1 3.5Å; L157-I161 HydrophobicContact CD1-CD1 4.34Å; L157-I161 HydrophobicContact CD2-CD1 4.49Å; L157-I161 HydrophobicContact CG-CD1 3.92Å; L157-I161 WeakPolarHBondContact O-CG1 3.33Å; L157-I161 PolarHBondContact O-N 3.4Å; L157-I161 VanDerWaalsContact O-N 3.07Å; L157-I183 HydrophobicContact CD2-CD1 4.2Å; L157-I183 HydrophobicContact CG-CD1 4.49Å
158L75.2Confident66.3Low0 Ų044.7 Ų44.70%028%0.276CS..Hα-helixtrans-62.4-40.3174.2-70.8159.7000112.4C155 R156 T160 I161 L162 V180 I183 M184 F259C155-L158 WeakPolarHBondContact O-CB 3.42Å; C155-L158 WeakPolarHBondContact O-CD1 3.45Å; C155-L158 WeakPolarHBondContact O-CG 3.48Å; C155-L158 PolarHBondContact O-N 3.44Å; C155-L158 VanDerWaalsContact O-N 3.09Å; R156-L158 PolarHBondContact O-N 3.05Å; R156-L158 VanDerWaalsContact O-N 3.14Å; L158-T160 VanDerWaalsContact C-N 3.31Å; L158-T160 PolarHBondContact O-N 2.96Å; L158-I161 PolarHBondContact O-N 2.83Å; L158-L162 VanDerWaalsContact O-CB 3.27Å; L158-L162 WeakPolarHBondContact O-CB 3.44Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.04Å; L158-V180 HydrophobicContact CD2-CG1 4.32Å; L158-I183 HydrophobicContact CD1-CG2 4.12Å; L158-I183 HydrophobicContact CD2-CB 3.85Å; L158-I183 HydrophobicContact CD2-CD1 4.37Å; L158-I183 HydrophobicContact CD2-CG2 3.43Å; L158-I183 VanDerWaalsContact CD2-CG2 3.43Å; L158-I183 HydrophobicContact CG-CG2 3.65Å; L158-M184 HydrophobicContact CD1-CE 3.22Å; L158-M184 HydrophobicContact CD2-CE 3.39Å; L158-M184 HydrophobicContact CG-CE 3.87Å; L158-F259 HydrophobicContact CB-CE1 3.95Å; L158-F259 HydrophobicContact CD1-CE1 3.84Å; L158-F259 HydrophobicContact CD1-CZ 3.98Å
159D77Confident67.4Low18 Ų1845.8 Ų45.810%0.09628%0.28CS..Hα-helixtrans-67-36.3178.2-65.1-29.2000111.3R156 L157 S163 S258R156-D159 HydrophobicContact CG-CB 4.45Å; R156-D159 WeakPolarHBondContact O-CB 3.44Å; R156-D159 PolarHBondContact O-N 2.92Å; L157-D159 VanDerWaalsContact C-N 3.34Å; L157-D159 PolarHBondContact O-N 2.65Å; D159-S163 WeakPolarHBondContact O-CB 3.42Å; D159-S163 PolarHBondContact O-N 3.41Å; D159-S163 PolarHBondContact O-OG 3.3Å; D159-S258 VanDerWaalsContact CG-N 3.3Å; D159-S258 WeakPolarHBondContact OD1-CB 3.22Å; D159-S258 PolarHBondContact OD1-N 2.95Å; D159-S258 PolarHBondContact OD1-OG 3.32Å; D159-S258 WeakPolarHBondContact OD2-CB 3.41Å; D159-S258 PolarHBondContact OD2-N 3.14Å; D159-S258 PolarHBondContact OD2-OG 2.92Å
160T74.4Confident68.4Low21 Ų2145 Ų4513%0.12928%0.277CS..Hα-helixtrans-70.2-40.5-179.267.30000110.7K138 I142 R156 L157 L158 S163 A164K138-T160 PolarHBondContact NZ-O 3.3Å; I142-T160 HydrophobicContact CD1-CG2 3.42Å; I142-T160 VanDerWaalsContact CD1-CG2 3.42Å; R156-T160 PolarHBondContact O-N 2.8Å; L157-T160 PolarHBondContact O-N 3.14Å; L157-T160 PolarHBondContact O-OG1 3.5Å; L158-T160 VanDerWaalsContact C-N 3.31Å; L158-T160 PolarHBondContact O-N 2.96Å; T160-S163 WeakPolarHBondContact CA-OG 3.24Å; T160-S163 PolarHBondContact O-OG 2.96Å; T160-A164 WeakPolarHBondContact O-CB 3.14Å; T160-A164 PolarHBondContact O-N 3.45Å
161I77.5Confident69.7Low0 Ų044.9 Ų44.90%028%0.275CS..Hα-helixtrans-67.3-48174.7-66165.5000110.8F85 V135 V139 L157 L158 S163 A164 A165 I176 V180 I183F85-I161 HydrophobicContact CD2-CD1 3.47Å; F85-I161 VanDerWaalsContact CD2-CD1 3.47Å; F85-I161 HydrophobicContact CD2-CG1 4.37Å; F85-I161 HydrophobicContact CE2-CD1 3.56Å; F85-I161 HydrophobicContact CE2-CG1 3.96Å; F85-I161 HydrophobicContact CG-CD1 4.34Å; V135-I161 HydrophobicContact CG1-CG1 4.31Å; V135-I161 HydrophobicContact CG1-CG2 4.38Å; V139-I161 HydrophobicContact CG2-CG1 4.12Å; L157-I161 HydrophobicContact CD1-CD1 4.34Å; L157-I161 HydrophobicContact CD2-CD1 4.49Å; L157-I161 HydrophobicContact CG-CD1 3.92Å; L157-I161 WeakPolarHBondContact O-CG1 3.33Å; L157-I161 PolarHBondContact O-N 3.4Å; L157-I161 VanDerWaalsContact O-N 3.07Å; L158-I161 PolarHBondContact O-N 2.83Å; I161-S163 VanDerWaalsContact C-N 3.28Å; I161-S163 PolarHBondContact O-N 2.87Å; I161-A164 PolarHBondContact O-N 3.13Å; I161-A164 VanDerWaalsContact O-N 3.08Å; I161-A165 PolarHBondContact O-N 2.89Å; I161-I176 HydrophobicContact CG2-CG2 4.25Å; I161-V180 HydrophobicContact CG2-CG2 4.17Å; I161-I183 HydrophobicContact CD1-CD1 3.18Å
162L74.9Confident70.9Confident33 Ų3343.3 Ų43.317%0.17327%0.265CS..Hα-helixtrans-62.6-35.1178.6-71.4171.6000112.1L158 V180 F259 F320 L323L158-L162 VanDerWaalsContact O-CB 3.27Å; L158-L162 WeakPolarHBondContact O-CB 3.44Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.04Å; L162-V180 HydrophobicContact CD2-CG2 4.24Å; L162-F259 HydrophobicContact CD1-CD1 4.46Å; L162-F320 HydrophobicContact CD2-CB 4.44Å; L162-L323 HydrophobicContact CD2-CD1 4.39Å
163S75.8Confident71.9Confident79 Ų7938.8 Ų38.855%0.55225%0.248SC*.Hα-helixtrans-80.8-18.2174.363.80000114.1K138 D159 T160 I161K138-S163 PolarHBondContact NZ-O 2.63Å; K138-S163 PolarHBondContact NZ-OG 2.86Å; D159-S163 WeakPolarHBondContact O-CB 3.42Å; D159-S163 PolarHBondContact O-N 3.41Å; D159-S163 PolarHBondContact O-OG 3.3Å; T160-S163 WeakPolarHBondContact CA-OG 3.24Å; T160-S163 PolarHBondContact O-OG 2.96Å; I161-S163 VanDerWaalsContact C-N 3.28Å; I161-S163 PolarHBondContact O-N 2.87Å
164A73.1Confident72.8Confident25 Ų2541.7 Ų41.721%0.20726%0.26CS..Hα-helixtrans-83.8-19.3174.500000112.5V135 K138 T160 I161 P166V135-A164 HydrophobicContact CB-CB 4.33Å; V135-A164 HydrophobicContact CG1-CB 4.22Å; V135-A164 HydrophobicContact CG2-CB 3.88Å; K138-A164 HydrophobicContact CD-CB 3.86Å; T160-A164 WeakPolarHBondContact O-CB 3.14Å; T160-A164 PolarHBondContact O-N 3.45Å; I161-A164 PolarHBondContact O-N 3.13Å; I161-A164 VanDerWaalsContact O-N 3.08Å; A164-P166 WeakPolarHBondContact O-CD 3.39Å
165A72Confident73.6Confident10 Ų1042.4 Ų42.48%0.08327%0.265CS..SBendtrans-69.3123-175.200000112I161 I176 F320I161-A165 PolarHBondContact O-N 2.89Å; A165-I176 HydrophobicContact CB-CD1 3.65Å; A165-I176 HydrophobicContact CB-CG2 4.01Å; A165-F320 HydrophobicContact CB-CD1 3.97Å; A165-F320 HydrophobicContact CB-CE1 3.43Å; A165-F320 VanDerWaalsContact CB-CE1 3.43Å; A165-F320 HydrophobicContact CB-CE2 4.43Å; A165-F320 HydrophobicContact CB-CZ 3.7Å
166P68.7Low74.3Confident44 Ų4442.5 Ų42.529%0.28627%0.265SS..PPolyproline II helixtrans-70134.6177.526.5-32.5000111.2V131 A164 G168 F320V131-P166 HydrophobicContact CG1-CG 3.74Å; V131-P166 HydrophobicContact CG2-CG 4.2Å; A164-P166 WeakPolarHBondContact O-CD 3.39Å; P166-G168 PolarHBondContact O-N 3.38Å; P166-F320 WeakPolarHBondContact O-CZ 3.36Å
167P66.8Low74.6Confident121 Ų12138 Ų3879%0.78625%0.249SC*.THydrogen-bonded Turntrans-71.7119.3174.529-32.6000111.1F320P167-F320 HydrophobicContact CB-CE2 4.44Å
168G66.5Low75Confident72 Ų7239.8 Ų39.874%0.74226%0.256SS*.THydrogen-bonded Turntrans116.75.6154.500000119.2P166P166-G168 PolarHBondContact O-N 3.38Å
169L70.3Confident75.4Confident75 Ų7539.8 Ų39.839%0.39326%0.256SS..  trans-108.6126176-72.9158000111.9I127 P172 R173I127-L169 HydrophobicContact CG2-CD1 3.91Å; L169-P172 HydrophobicContact CB-CG 3.94Å; L169-P172 HydrophobicContact CD1-CG 4.44Å; L169-R173 WeakPolarHBondContact O-CB 3.18Å; L169-R173 PolarHBondContact O-N 3.33Å; L169-R173 VanDerWaalsContact O-N 3.17Å
170P69.7Low75.8Confident88 Ų8839.1 Ų39.157%0.57125%0.252SS*.Hα-helixtrans-65.5-45.2-175.524.3-32.3000112.6R173 F174P170-R173 WeakPolarHBondContact O-CB 3.3Å; P170-R173 PolarHBondContact O-N 3.49Å; P170-F174 HydrophobicContact CB-CE2 4.14Å; P170-F174 WeakPolarHBondContact O-CD2 3.46Å; P170-F174 WeakPolarHBondContact O-CE2 3.25Å; P170-F174 PolarHBondContact O-N 2.92Å; P170-F174 VanDerWaalsContact O-N 3.1Å
171G75Confident76.2Confident40 Ų4038.5 Ų38.541%0.41225%0.249SC..Hα-helixtrans-57.2-62-178.800000113.6R173 F174 T175G171-R173 PolarHBondContact O-N 2.91Å; G171-F174 PolarHBondContact O-N 2.86Å; G171-T175 PolarHBondContact O-N 3.17Å; G171-T175 PolarHBondContact O-OG1 3.14Å
172P77.8Confident76.6Confident7 Ų740.1 Ų40.15%0.04526%0.256CS..Hα-helixtrans-59-31.4176.3-2332.9000113.6I127 L128 V131 L169 T175 I176I127-P172 HydrophobicContact CG2-CG 3.89Å; L128-P172 HydrophobicContact CD1-CB 4.42Å; V131-P172 HydrophobicContact CB-CB 4.25Å; V131-P172 HydrophobicContact CG1-CB 3.96Å; V131-P172 HydrophobicContact CG2-CB 4.32Å; V131-P172 HydrophobicContact CG2-CG 4.24Å; L169-P172 HydrophobicContact CB-CG 3.94Å; L169-P172 HydrophobicContact CD1-CG 4.44Å; P172-T175 PolarHBondContact O-N 2.83Å; P172-I176 WeakPolarHBondContact O-CB 3.2Å; P172-I176 VanDerWaalsContact O-CG1 3.26Å; P172-I176 WeakPolarHBondContact O-CG1 3.27Å; P172-I176 PolarHBondContact O-N 2.89Å
173R76.5Confident77.1Confident47 Ų4738.5 Ų38.518%0.17725%0.248CC..Hα-helixtrans-64-43.1177.7178.4-178174.9153.59.8112.2L169 P170 G171 T175 I176 Q177 K318L169-R173 WeakPolarHBondContact O-CB 3.18Å; L169-R173 PolarHBondContact O-N 3.33Å; L169-R173 VanDerWaalsContact O-N 3.17Å; P170-R173 WeakPolarHBondContact O-CB 3.3Å; P170-R173 PolarHBondContact O-N 3.49Å; G171-R173 PolarHBondContact O-N 2.91Å; R173-T175 VanDerWaalsContact C-N 3.3Å; R173-T175 PolarHBondContact O-N 3.22Å; R173-I176 PolarHBondContact O-N 2.95Å; R173-Q177 WeakPolarHBondContact O-CB 3.43Å; R173-Q177 PolarHBondContact O-N 2.88Å; R173-K318 VanDerWaalsContact CZ-O 3.32Å; R173-K318 PolarHBondContact NH1-O 2.9Å; R173-K318 VanDerWaalsContact NH1-O 3.17Å; R173-K318 PolarHBondContact NH2-O 3.3Å
174F76.6Confident77.6Confident68 Ų6834.8 Ų34.830%0.29822%0.222SC..Hα-helixtrans-61.5-41.7175.7-69.7-64.8000111.3P170 G171 Q177 K178P170-F174 HydrophobicContact CB-CE2 4.14Å; P170-F174 WeakPolarHBondContact O-CD2 3.46Å; P170-F174 WeakPolarHBondContact O-CE2 3.25Å; P170-F174 PolarHBondContact O-N 2.92Å; P170-F174 VanDerWaalsContact O-N 3.1Å; G171-F174 PolarHBondContact O-N 2.86Å; F174-Q177 WeakPolarHBondContact O-CB 3.49Å; F174-Q177 PolarHBondContact O-N 3.25Å; F174-K178 PolarHBondContact O-N 2.68Å
175T81.6Confident78.2Confident18 Ų1835.6 Ų35.611%0.1122%0.221CC..Hα-helixtrans-67.6-44.1178.8-48.90000112.5L128 L132 G171 P172 R173 Q177 K178 L179L128-T175 HydrophobicContact CD1-CG2 4.01Å; L128-T175 WeakPolarHBondContact CD1-OG1 3.46Å; L132-T175 HydrophobicContact CD1-CG2 4.18Å; L132-T175 HydrophobicContact CD2-CG2 3.82Å; L132-T175 HydrophobicContact CG-CG2 4.41Å; G171-T175 PolarHBondContact O-N 3.17Å; G171-T175 PolarHBondContact O-OG1 3.14Å; P172-T175 PolarHBondContact O-N 2.83Å; R173-T175 VanDerWaalsContact C-N 3.3Å; R173-T175 PolarHBondContact O-N 3.22Å; T175-Q177 VanDerWaalsContact C-N 3.26Å; T175-Q177 PolarHBondContact O-N 3.1Å; T175-K178 WeakPolarHBondContact O-CB 3.44Å; T175-K178 PolarHBondContact O-N 3.38Å; T175-K178 VanDerWaalsContact O-N 3.1Å; T175-L179 WeakPolarHBondContact O-CG 3.47Å; T175-L179 PolarHBondContact O-N 2.97Å
176I83.2Confident79Confident2 Ų236.5 Ų36.51%0.0123%0.226CC..Hα-helixtrans-61.7-37.7175.1-68.7169.7000110.8V131 I161 A165 P172 R173 K178 L179 V180V131-I176 HydrophobicContact CG1-CD1 4.22Å; I161-I176 HydrophobicContact CG2-CG2 4.25Å; A165-I176 HydrophobicContact CB-CD1 3.65Å; A165-I176 HydrophobicContact CB-CG2 4.01Å; P172-I176 WeakPolarHBondContact O-CB 3.2Å; P172-I176 VanDerWaalsContact O-CG1 3.26Å; P172-I176 WeakPolarHBondContact O-CG1 3.27Å; P172-I176 PolarHBondContact O-N 2.89Å; R173-I176 PolarHBondContact O-N 2.95Å; I176-K178 VanDerWaalsContact C-N 3.34Å; I176-L179 WeakPolarHBondContact O-CB 3.45Å; I176-L179 PolarHBondContact O-N 3.31Å; I176-V180 HydrophobicContact CG2-CG2 4.48Å; I176-V180 WeakPolarHBondContact O-CG2 3.34Å; I176-V180 PolarHBondContact O-N 3.03Å
177Q78.9Confident79.9Confident15 Ų1534.5 Ų34.57%0.0721%0.212CC..Hα-helixtrans-64.2-39.1174.7-173.6178.2-1300111.8R173 F174 T175 V180 S181 N309 L323R173-Q177 WeakPolarHBondContact O-CB 3.43Å; R173-Q177 PolarHBondContact O-N 2.88Å; F174-Q177 WeakPolarHBondContact O-CB 3.49Å; F174-Q177 PolarHBondContact O-N 3.25Å; T175-Q177 VanDerWaalsContact C-N 3.26Å; T175-Q177 PolarHBondContact O-N 3.1Å; Q177-V180 PolarHBondContact O-N 2.74Å; Q177-S181 WeakPolarHBondContact O-CB 3.29Å; Q177-S181 PolarHBondContact O-N 3.14Å; Q177-N309 PolarHBondContact NE2-O 3.01Å; Q177-N309 VanDerWaalsContact NE2-O 3.12Å; Q177-L323 HydrophobicContact CB-CD2 4.27Å; Q177-L323 HydrophobicContact CG-CD2 3.98Å
178K82.7Confident80.9Confident53 Ų5328.7 Ų28.723%0.2318%0.175CC..Hα-helixtrans-61.5-43.3172.7-165178.1-177.1-174.90111.7D91 F174 T175 I176 S181 H182D91-K178 HydrophobicContact CB-CD 4.44Å; D91-K178 PolarHBondContact O-NZ 3.24Å; D91-K178 WeakPolarHBondContact OD2-CE 3.33Å; D91-K178 IonicContact OD2-NZ 3.76Å; D91-K178 PolarHBondContact OD2-NZ 3.48Å; F174-K178 PolarHBondContact O-N 2.68Å; T175-K178 WeakPolarHBondContact O-CB 3.44Å; T175-K178 PolarHBondContact O-N 3.38Å; T175-K178 VanDerWaalsContact O-N 3.1Å; I176-K178 VanDerWaalsContact C-N 3.34Å; K178-S181 WeakPolarHBondContact O-CB 3.5Å; K178-S181 PolarHBondContact O-N 3.39Å; K178-H182 PolarHBondContact O-CD2 3.08Å; K178-H182 VanDerWaalsContact O-CD2 3.22Å; K178-H182 PolarHBondContact O-N 3.38Å; K178-H182 VanDerWaalsContact O-N 3.16Å
179L85.5Confident81.9Confident0 Ų034.5 Ų34.50%018%0.175CC..Hα-helixtrans-58.8-49.4174.1-64.4174.2000111.8F85 G88 I89 L132 T175 I176 S181 H182 I183F85-L179 HydrophobicContact CD2-CD2 4.3Å; F85-L179 HydrophobicContact CE2-CD1 4.01Å; F85-L179 HydrophobicContact CE2-CD2 4.3Å; G88-L179 WeakPolarHBondContact O-CD2 3.35Å; I89-L179 HydrophobicContact CB-CD2 4.4Å; I89-L179 HydrophobicContact CG1-CD2 3.7Å; I89-L179 VanDerWaalsContact N-CD2 3.27Å; L132-L179 HydrophobicContact CD2-CD1 3.81Å; T175-L179 WeakPolarHBondContact O-CG 3.47Å; T175-L179 PolarHBondContact O-N 2.97Å; I176-L179 WeakPolarHBondContact O-CB 3.45Å; I176-L179 PolarHBondContact O-N 3.31Å; L179-S181 VanDerWaalsContact C-N 3.26Å; L179-S181 PolarHBondContact O-N 3.34Å; L179-H182 PolarHBondContact O-N 3.1Å; L179-I183 WeakPolarHBondContact O-CG1 3.37Å; L179-I183 PolarHBondContact O-N 3.27Å
180V84.2Confident82.8Confident4 Ų431.5 Ų31.52%0.02416%0.158CC..Hα-helixtrans-61-37.7177.1171.90000111L158 I161 L162 I176 Q177 I183 M184 I324L158-V180 HydrophobicContact CD2-CG1 4.32Å; I161-V180 HydrophobicContact CG2-CG2 4.17Å; L162-V180 HydrophobicContact CD2-CG2 4.24Å; I176-V180 HydrophobicContact CG2-CG2 4.48Å; I176-V180 WeakPolarHBondContact O-CG2 3.34Å; I176-V180 PolarHBondContact O-N 3.03Å; Q177-V180 PolarHBondContact O-N 2.74Å; V180-I183 PolarHBondContact O-N 2.93Å; V180-M184 HydrophobicContact CG1-CE 4.45Å; V180-M184 HydrophobicContact CG1-CG 4.03Å; V180-M184 WeakPolarHBondContact O-CB 3.4Å; V180-M184 WeakPolarHBondContact O-CG 3.45Å; V180-M184 PolarHBondContact O-N 3.01Å; V180-I324 HydrophobicContact CG1-CD1 3.88Å; V180-I324 HydrophobicContact CG1-CG1 3.94Å
181S84Confident83.8Confident8 Ų827.3 Ų27.36%0.05613%0.131CC..Hα-helixtrans-59.4-49.7177.6-168.60000111.9Q177 K178 L179 I183 M184 Q185 L306Q177-S181 WeakPolarHBondContact O-CB 3.29Å; Q177-S181 PolarHBondContact O-N 3.14Å; K178-S181 WeakPolarHBondContact O-CB 3.5Å; K178-S181 PolarHBondContact O-N 3.39Å; L179-S181 VanDerWaalsContact C-N 3.26Å; L179-S181 PolarHBondContact O-N 3.34Å; S181-I183 VanDerWaalsContact C-N 3.33Å; S181-I183 PolarHBondContact O-N 3.04Å; S181-M184 WeakPolarHBondContact O-CB 3.47Å; S181-M184 PolarHBondContact O-N 3.02Å; S181-M184 VanDerWaalsContact O-N 3.15Å; S181-Q185 WeakPolarHBondContact O-CG 3.38Å; S181-Q185 PolarHBondContact O-N 3.25Å; S181-L306 PolarHBondContact OG-O 2.98Å
182H85Confident84.5Confident33 Ų3326.5 Ų26.515%0.15312%0.119CC..Hα-helixtrans-60.4-40.7178.2-74-65000113A84 G88 D91 K178 L179 Q185 V186A84-H182 WeakPolarHBondContact O-CB 3.04Å; G88-H182 WeakPolarHBondContact CA-CD2 3.48Å; D91-H182 IonicContact OD2-CE1 3.54Å; D91-H182 IonicContact OD2-NE2 3.67Å; K178-H182 PolarHBondContact O-CD2 3.08Å; K178-H182 VanDerWaalsContact O-CD2 3.22Å; K178-H182 PolarHBondContact O-N 3.38Å; K178-H182 VanDerWaalsContact O-N 3.16Å; L179-H182 PolarHBondContact O-N 3.1Å; H182-Q185 PolarHBondContact ND1-OE1 3.49Å; H182-Q185 WeakPolarHBondContact O-CB 3.36Å; H182-Q185 PolarHBondContact O-N 3.17Å; H182-V186 PolarHBondContact O-N 3.24Å
183I86Confident85Confident0 Ų026.5 Ų26.50%012%0.119CC..Hα-helixtrans-68.3-39.6177.2-60176.1000110.7Y81 F85 L157 L158 I161 L179 V180 S181 Q185 V186 F187Y81-I183 HydrophobicContact CD1-CG2 3.62Å; Y81-I183 HydrophobicContact CE1-CG2 4.31Å; F85-I183 HydrophobicContact CB-CD1 4.02Å; F85-I183 HydrophobicContact CB-CG1 4.28Å; F85-I183 HydrophobicContact CD2-CD1 3.98Å; F85-I183 HydrophobicContact CG-CD1 4.43Å; L157-I183 HydrophobicContact CD2-CD1 4.2Å; L157-I183 HydrophobicContact CG-CD1 4.49Å; L158-I183 HydrophobicContact CD1-CG2 4.12Å; L158-I183 HydrophobicContact CD2-CB 3.85Å; L158-I183 HydrophobicContact CD2-CD1 4.37Å; L158-I183 HydrophobicContact CD2-CG2 3.43Å; L158-I183 VanDerWaalsContact CD2-CG2 3.43Å; L158-I183 HydrophobicContact CG-CG2 3.65Å; I161-I183 HydrophobicContact CD1-CD1 3.18Å; L179-I183 WeakPolarHBondContact O-CG1 3.37Å; L179-I183 PolarHBondContact O-N 3.27Å; V180-I183 PolarHBondContact O-N 2.93Å; S181-I183 VanDerWaalsContact C-N 3.33Å; S181-I183 PolarHBondContact O-N 3.04Å; I183-Q185 VanDerWaalsContact C-N 3.27Å; I183-Q185 PolarHBondContact O-N 3.27Å; I183-V186 PolarHBondContact O-N 3.14Å; I183-F187 PolarHBondContact O-N 3.45Å; I183-F187 VanDerWaalsContact O-N 3.13Å
184M85Confident85.7Confident0 Ų024.3 Ų24.30%011%0.111CC..Hα-helixtrans-63.2-31.2174.3-75-70136.600112.8L158 V180 S181 F187 L188 F259 L306 I324L158-M184 HydrophobicContact CD1-CE 3.22Å; L158-M184 HydrophobicContact CD2-CE 3.39Å; L158-M184 HydrophobicContact CG-CE 3.87Å; V180-M184 HydrophobicContact CG1-CE 4.45Å; V180-M184 HydrophobicContact CG1-CG 4.03Å; V180-M184 WeakPolarHBondContact O-CB 3.4Å; V180-M184 WeakPolarHBondContact O-CG 3.45Å; V180-M184 PolarHBondContact O-N 3.01Å; S181-M184 WeakPolarHBondContact O-CB 3.47Å; S181-M184 PolarHBondContact O-N 3.02Å; S181-M184 VanDerWaalsContact O-N 3.15Å; M184-F187 PolarHBondContact O-N 2.63Å; M184-F187 HydrophobicContact SD-CD1 4.41Å; M184-L188 WeakPolarHBondContact O-CB 3.3Å; M184-L188 WeakPolarHBondContact O-CG 3.49Å; M184-L188 PolarHBondContact O-N 2.9Å; M184-F259 HydrophobicContact CE-CE1 4.25Å; M184-F259 HydrophobicContact CE-CE2 4.42Å; M184-F259 HydrophobicContact CE-CZ 3.71Å; M184-L306 HydrophobicContact CB-CD1 3.96Å; M184-I324 HydrophobicContact CE-CD1 3.39Å; M184-I324 HydrophobicContact CE-CG1 4.19Å; M184-I324 HydrophobicContact CG-CD1 4.37Å; M184-I324 HydrophobicContact CG-CG1 4.23Å; M184-I324 HydrophobicContact SD-CD1 3.96Å; M184-I324 HydrophobicContact SD-CG1 4.15Å; M184-I324 HydrophobicContact SD-CG2 4.06Å
185Q87.1Confident86.3Confident42 Ų4221 Ų2120%0.19610%0.097CC..Hα-helixtrans-62.4-43.8175.4-70.2172.6-15.200111.4S181 H182 I183 L188 R189 L303 E307S181-Q185 WeakPolarHBondContact O-CG 3.38Å; S181-Q185 PolarHBondContact O-N 3.25Å; H182-Q185 PolarHBondContact ND1-OE1 3.49Å; H182-Q185 WeakPolarHBondContact O-CB 3.36Å; H182-Q185 PolarHBondContact O-N 3.17Å; I183-Q185 VanDerWaalsContact C-N 3.27Å; I183-Q185 PolarHBondContact O-N 3.27Å; Q185-L188 PolarHBondContact O-N 3.42Å; Q185-R189 VanDerWaalsContact O-CB 3.31Å; Q185-R189 WeakPolarHBondContact O-CB 3.46Å; Q185-R189 PolarHBondContact O-N 2.94Å; Q185-L303 HydrophobicContact CB-CD2 3.9Å; Q185-L303 HydrophobicContact CG-CD2 3.76Å; Q185-E307 VanDerWaalsContact NE2-CG 3.3Å; Q185-E307 PolarHBondContact NE2-OE1 3.29Å
186V87.6Confident86.5Confident29 Ų2920.3 Ų20.318%0.1769%0.092CC..Hα-helixtrans-61.4-47.6174.3179.10000110.4L80 Y81 A84 H182 I183 L188 R189 Q190L80-V186 HydrophobicContact CB-CG1 3.79Å; Y81-V186 HydrophobicContact CD1-CB 4.33Å; Y81-V186 HydrophobicContact CD1-CG1 4.21Å; Y81-V186 HydrophobicContact CD2-CG1 4.49Å; Y81-V186 HydrophobicContact CE1-CB 4.27Å; Y81-V186 HydrophobicContact CE1-CG1 4.07Å; Y81-V186 HydrophobicContact CE2-CG1 4.32Å; Y81-V186 HydrophobicContact CG-CG1 4.46Å; A84-V186 HydrophobicContact CB-CG2 3.52Å; H182-V186 PolarHBondContact O-N 3.24Å; I183-V186 PolarHBondContact O-N 3.14Å; V186-L188 PolarHBondContact O-N 3.45Å; V186-R189 PolarHBondContact O-N 3.48Å; V186-Q190 PolarHBondContact O-N 3.45Å
187F88.4Confident86.6Confident2 Ų224.3 Ų24.31%0.00911%0.108CC..Hα-helixtrans-57.4-50.4177.8175.7-99000112.6Y81 I183 M184 R189 Q190 L191 F207 F208 L260 F264Y81-F187 HydrophobicContact CE1-CB 4.14Å; I183-F187 PolarHBondContact O-N 3.45Å; I183-F187 VanDerWaalsContact O-N 3.13Å; M184-F187 PolarHBondContact O-N 2.63Å; M184-F187 HydrophobicContact SD-CD1 4.41Å; F187-R189 VanDerWaalsContact C-N 3.29Å; F187-R189 PolarHBondContact O-N 2.96Å; F187-Q190 PolarHBondContact O-N 2.95Å; F187-L191 HydrophobicContact CE1-CD2 4.07Å; F187-L191 VanDerWaalsContact O-CB 3.28Å; F187-L191 WeakPolarHBondContact O-CB 3.45Å; F187-L191 PolarHBondContact O-N 2.85Å; F187-F207 HydrophobicContact CD2-CE2 4.29Å; F187-F207 HydrophobicContact CE2-CE2 4.17Å; F187-F208 HydrophobicContact CE2-CD1 4.32Å; F187-F208 AromaticContact CE2-CE1 3.79Å; F187-F208 HydrophobicContact CE2-CE1 3.79Å; F187-F208 HydrophobicContact CZ-CE1 4.29Å; F187-L260 HydrophobicContact CE2-CD1 3.82Å; F187-L260 HydrophobicContact CZ-CD1 3.7Å; F187-F264 HydrophobicContact CZ-CE1 4.48Å
188L86.7Confident86.8Confident0 Ų023.7 Ų23.70%011%0.105CC..Hα-helixtrans-65.1-34.1-180-75.5179.6000112M184 Q185 V186 L191 S192 F299 L302 L303 L306 I329M184-L188 WeakPolarHBondContact O-CB 3.3Å; M184-L188 WeakPolarHBondContact O-CG 3.49Å; M184-L188 PolarHBondContact O-N 2.9Å; Q185-L188 PolarHBondContact O-N 3.42Å; V186-L188 PolarHBondContact O-N 3.45Å; L188-L191 HydrophobicContact CD2-CD2 4.27Å; L188-L191 PolarHBondContact O-N 2.74Å; L188-S192 VanDerWaalsContact O-CB 3.29Å; L188-S192 WeakPolarHBondContact O-CB 3.37Å; L188-S192 PolarHBondContact O-N 2.93Å; L188-S192 PolarHBondContact O-OG 3.31Å; L188-F299 HydrophobicContact CD2-CE1 4.5Å; L188-L302 HydrophobicContact CD1-CB 4.29Å; L188-L303 HydrophobicContact CB-CD2 4.1Å; L188-L303 HydrophobicContact CD1-CD2 4.07Å; L188-L303 HydrophobicContact CD1-CG 4.27Å; L188-L306 HydrophobicContact CD1-CD1 3.42Å; L188-L306 VanDerWaalsContact CD1-CD1 3.42Å; L188-I329 HydrophobicContact CD2-CD1 4.05Å; L188-I329 HydrophobicContact CD2-CG1 4.23Å; L188-I329 HydrophobicContact CD2-CG2 4.44Å
189R89Confident86.9Confident194 Ų19424 Ų2473%0.73211%0.112SC*.Hα-helixtrans-67.4-46.1175.6-168.7171.8-179.3-135.4-1.2111.3Q185 V186 F187 L191 S192 S193Q185-R189 VanDerWaalsContact O-CB 3.31Å; Q185-R189 WeakPolarHBondContact O-CB 3.46Å; Q185-R189 PolarHBondContact O-N 2.94Å; V186-R189 PolarHBondContact O-N 3.48Å; F187-R189 VanDerWaalsContact C-N 3.29Å; F187-R189 PolarHBondContact O-N 2.96Å; R189-L191 VanDerWaalsContact C-N 3.34Å; R189-L191 PolarHBondContact O-N 3.46Å; R189-S192 PolarHBondContact O-N 3.3Å; R189-S192 PolarHBondContact O-OG 3.01Å; R189-S193 PolarHBondContact O-N 2.85Å
190Q88.9Confident86.8Confident11 Ų1126.2 Ų26.25%0.05113%0.125CC..Hα-helixtrans-61.6-42.4173.6-72.3-175.4-32.200111.7Y81 V186 F187 S193 W194 H201 F207Y81-Q190 VanDerWaalsContact CZ-OE1 3.27Å; Y81-Q190 PolarHBondContact OH-OE1 3.45Å; V186-Q190 PolarHBondContact O-N 3.45Å; F187-Q190 PolarHBondContact O-N 2.95Å; Q190-S193 WeakPolarHBondContact O-CB 3.18Å; Q190-S193 PolarHBondContact O-N 3.22Å; Q190-W194 PolarHBondContact O-N 2.87Å; Q190-W194 VanDerWaalsContact O-N 3.12Å; Q190-H201 PolarHBondContact NE2-O 3.01Å; Q190-F207 HydrophobicContact CB-CD2 4.1Å; Q190-F207 HydrophobicContact CB-CE2 4.09Å
191L89.9Confident86.5Confident0 Ų031.2 Ų31.20%015%0.147CC..Hα-helixtrans-61.8-44.7176.2-174.366.3000111.9F187 L188 R189 S193 W194 L195 F264 V268 F299 I329 V333F187-L191 HydrophobicContact CE1-CD2 4.07Å; F187-L191 VanDerWaalsContact O-CB 3.28Å; F187-L191 WeakPolarHBondContact O-CB 3.45Å; F187-L191 PolarHBondContact O-N 2.85Å; L188-L191 HydrophobicContact CD2-CD2 4.27Å; L188-L191 PolarHBondContact O-N 2.74Å; R189-L191 VanDerWaalsContact C-N 3.34Å; R189-L191 PolarHBondContact O-N 3.46Å; L191-S193 VanDerWaalsContact C-N 3.34Å; L191-W194 PolarHBondContact O-N 3.49Å; L191-L195 HydrophobicContact CD1-CD1 3.76Å; L191-L195 HydrophobicContact CD1-CG 4.2Å; L191-L195 HydrophobicContact CD2-CD1 4.47Å; L191-L195 HydrophobicContact CG-CD1 3.81Å; L191-L195 HydrophobicContact CG-CG 4.47Å; L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.1Å; L191-F264 HydrophobicContact CD2-CZ 4.47Å; L191-V268 HydrophobicContact CD1-CB 4.46Å; L191-V268 HydrophobicContact CD1-CG1 3.56Å; L191-V268 HydrophobicContact CD1-CG2 3.94Å; L191-F299 HydrophobicContact CD2-CE1 4.31Å; L191-F299 HydrophobicContact CG-CE1 4.45Å; L191-I329 HydrophobicContact CD2-CG2 3.99Å; L191-V333 HydrophobicContact CD2-CG2 4.26Å
192S89.2Confident86.4Confident23 Ų2331.8 Ų31.816%0.16115%0.15CC..Hα-helixtrans-64.1-39.4177.171.20000111.8L188 R189 W194 L195 I196L188-S192 VanDerWaalsContact O-CB 3.29Å; L188-S192 WeakPolarHBondContact O-CB 3.37Å; L188-S192 PolarHBondContact O-N 2.93Å; L188-S192 PolarHBondContact O-OG 3.31Å; R189-S192 PolarHBondContact O-N 3.3Å; R189-S192 PolarHBondContact O-OG 3.01Å; S192-W194 VanDerWaalsContact C-N 3.32Å; S192-W194 PolarHBondContact O-N 3.3Å; S192-L195 PolarHBondContact O-N 3.14Å; S192-I196 VanDerWaalsContact O-CB 3.23Å; S192-I196 WeakPolarHBondContact O-CB 3.31Å; S192-I196 WeakPolarHBondContact O-CG1 3.49Å; S192-I196 PolarHBondContact O-N 3.45Å
193S88.9Confident85.9Confident7 Ų734.1 Ų34.15%0.04917%0.168CC..Hα-helixtrans-59.4-45.4177-178.90000112R189 Q190 L191 Y197 G198 V199 H201R189-S193 PolarHBondContact O-N 2.85Å; Q190-S193 WeakPolarHBondContact O-CB 3.18Å; Q190-S193 PolarHBondContact O-N 3.22Å; L191-S193 VanDerWaalsContact C-N 3.34Å; S193-Y197 WeakPolarHBondContact O-CA 3.47Å; S193-Y197 WeakPolarHBondContact O-CB 3.29Å; S193-Y197 PolarHBondContact O-N 2.89Å; S193-Y197 VanDerWaalsContact O-N 3.07Å; S193-G198 PolarHBondContact O-N 3.25Å; S193-V199 CarbonylContact C-O 3.56Å; S193-V199 WeakPolarHBondContact CB-O 3.28Å; S193-V199 PolarHBondContact O-N 3.25Å; S193-V199 PolarHBondContact OG-O 3.1Å; S193-H201 PolarHBondContact OG-CD2 3.49Å
194W92.4Very high85.4Confident1 Ų138 Ų380%0.00418%0.183CC..Hα-helixtrans-71.9-43-179.6-179.8-115.3000112.6Q190 L191 S192 G198 V199 V200 I209 F249 V268 G272 E273Q190-W194 PolarHBondContact O-N 2.87Å; Q190-W194 VanDerWaalsContact O-N 3.12Å; L191-W194 PolarHBondContact O-N 3.49Å; S192-W194 VanDerWaalsContact C-N 3.32Å; S192-W194 PolarHBondContact O-N 3.3Å; W194-G198 WeakPolarHBondContact CZ3-O 3.47Å; W194-G198 WeakPolarHBondContact O-CA 3.25Å; W194-G198 PolarHBondContact O-N 2.92Å; W194-G198 VanDerWaalsContact O-N 3.09Å; W194-V199 PolarHBondContact N-O 3.12Å; W194-V200 HydrophobicContact CD2-CG2 4Å; W194-V200 HydrophobicContact CE3-CB 4.46Å; W194-V200 HydrophobicContact CE3-CG2 3.29Å; W194-V200 HydrophobicContact CH2-CG2 4.24Å; W194-V200 HydrophobicContact CZ3-CG2 3.44Å; W194-V200 VanDerWaalsContact CZ3-CG2 3.44Å; W194-I209 HydrophobicContact CD2-CD1 4.34Å; W194-I209 HydrophobicContact CG-CD1 4.16Å; W194-I209 HydrophobicContact CZ2-CD1 4.49Å; W194-I209 HydrophobicContact CZ2-CG2 4.36Å; W194-F249 AromaticContact CH2-CD1 3.64Å; W194-F249 HydrophobicContact CH2-CD1 3.64Å; W194-F249 HydrophobicContact CH2-CD2 4Å; W194-F249 AromaticContact CH2-CE1 3.5Å; W194-F249 HydrophobicContact CH2-CE1 3.5Å; W194-F249 VanDerWaalsContact CH2-CE1 3.5Å; W194-F249 AromaticContact CH2-CE2 3.89Å; W194-F249 HydrophobicContact CH2-CE2 3.89Å; W194-F249 AromaticContact CH2-CG 3.88Å; W194-F249 HydrophobicContact CH2-CG 3.88Å; W194-F249 AromaticContact CH2-CZ 3.63Å; W194-F249 HydrophobicContact CH2-CZ 3.63Å; W194-F249 HydrophobicContact CZ2-CD1 4.36Å; W194-F249 HydrophobicContact CZ2-CG 4.39Å; W194-F249 HydrophobicContact CZ3-CD1 4.18Å; W194-F249 AromaticContact CZ3-CE1 3.68Å; W194-F249 HydrophobicContact CZ3-CE1 3.68Å; W194-F249 AromaticContact CZ3-CZ 3.9Å; W194-F249 HydrophobicContact CZ3-CZ 3.9Å; W194-V268 PolarHBondContact NE1-O 2.97Å; W194-G272 VanDerWaalsContact CE2-CA 3.41Å; W194-E273 HydrophobicContact CZ2-CG 4.33Å
195L88.9Confident85Confident0 Ų043.8 Ų43.80%021%0.206CC..Hα-helixtrans-80-23.6-175.6-69.5178.8000114.5L191 S192 V268 T271 F299 V333 I336L191-L195 HydrophobicContact CD1-CD1 3.76Å; L191-L195 HydrophobicContact CD1-CG 4.2Å; L191-L195 HydrophobicContact CD2-CD1 4.47Å; L191-L195 HydrophobicContact CG-CD1 3.81Å; L191-L195 HydrophobicContact CG-CG 4.47Å; L191-L195 WeakPolarHBondContact O-CB 3.44Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.1Å; S192-L195 PolarHBondContact O-N 3.14Å; L195-V268 HydrophobicContact CD2-CG1 4.16Å; L195-V268 HydrophobicContact CG-CG1 4.48Å; L195-T271 HydrophobicContact CD2-CG2 3.72Å; L195-F299 HydrophobicContact CD1-CZ 4.33Å; L195-V333 HydrophobicContact CD1-CG1 4.45Å; L195-V333 HydrophobicContact CD1-CG2 3.75Å; L195-I336 HydrophobicContact CB-CD1 4.36Å; L195-I336 HydrophobicContact CB-CG2 4.43Å; L195-I336 HydrophobicContact CD1-CD1 4.17Å
196I86.2Confident84.7Confident2 Ų242 Ų421%0.0120%0.198CC..Hα-helixtrans-99.9-45.6-179-59.8177.1000110.7S192 V275 L291 E292 F299S192-I196 VanDerWaalsContact O-CB 3.23Å; S192-I196 WeakPolarHBondContact O-CB 3.31Å; S192-I196 WeakPolarHBondContact O-CG1 3.49Å; S192-I196 PolarHBondContact O-N 3.45Å; I196-V275 WeakPolarHBondContact O-CG1 3.07Å; I196-L291 HydrophobicContact CG2-CB 4.27Å; I196-E292 HydrophobicContact CG2-CB 4.24Å; I196-F299 HydrophobicContact CD1-CD2 3.83Å; I196-F299 HydrophobicContact CD1-CE2 3.96Å; I196-F299 HydrophobicContact CG1-CE2 4.3Å
197Y84.8Confident84.5Confident87 Ų8740.8 Ų40.834%0.34119%0.19SC..Hα-helixtrans-107.6-8-173.2-51.9-69.7000113.5S193 V199 T279 E292S193-Y197 WeakPolarHBondContact O-CA 3.47Å; S193-Y197 WeakPolarHBondContact O-CB 3.29Å; S193-Y197 PolarHBondContact O-N 2.89Å; S193-Y197 VanDerWaalsContact O-N 3.07Å; Y197-V199 PolarHBondContact O-N 3.32Å; Y197-T279 WeakPolarHBondContact O-CG2 3.1Å; Y197-E292 HydrophobicContact CE1-CB 4.49Å; Y197-E292 HydrophobicContact CE1-CG 4.33Å
198G82.6Confident84.2Confident1 Ų140.7 Ų40.71%0.0119%0.189CC..  trans68.315.6-17500000113.3S193 W194 Y276S193-G198 PolarHBondContact O-N 3.25Å; W194-G198 WeakPolarHBondContact CZ3-O 3.47Å; W194-G198 WeakPolarHBondContact O-CA 3.25Å; W194-G198 PolarHBondContact O-N 2.92Å; W194-G198 VanDerWaalsContact O-N 3.09Å; G198-Y276 VanDerWaalsContact O-CD2 3.25Å; G198-Y276 WeakPolarHBondContact O-CD2 3.4Å
199V85.1Confident84Confident61 Ų6140.7 Ų40.737%0.3719%0.19SC..  trans-105.8125-177.3-177.20000110.3S193 W194 Y197 H201S193-V199 CarbonylContact C-O 3.56Å; S193-V199 WeakPolarHBondContact CB-O 3.28Å; S193-V199 PolarHBondContact O-N 3.25Å; S193-V199 PolarHBondContact OG-O 3.1Å; W194-V199 PolarHBondContact N-O 3.12Å; Y197-V199 PolarHBondContact O-N 3.32Å; V199-H201 VanDerWaalsContact CG1-CE1 3.47Å; V199-H201 WeakPolarHBondContact CG1-CE1 3.34Å; V199-H201 PolarHBondContact O-N 3.2Å
200V83.1Confident83.6Confident45 Ų4534.8 Ų34.827%0.27317%0.169SC..  trans-83.197.9171.2-174.70000108.9W194 D202 F207 I209 F249W194-V200 HydrophobicContact CD2-CG2 4Å; W194-V200 HydrophobicContact CE3-CB 4.46Å; W194-V200 HydrophobicContact CE3-CG2 3.29Å; W194-V200 HydrophobicContact CH2-CG2 4.24Å; W194-V200 HydrophobicContact CZ3-CG2 3.44Å; W194-V200 VanDerWaalsContact CZ3-CG2 3.44Å; V200-D202 HydrophobicContact CG1-CB 3.81Å; V200-D202 PolarHBondContact O-N 3.46Å; V200-D202 VanDerWaalsContact O-N 3.16Å; V200-F207 HydrophobicContact CG1-CD1 4.41Å; V200-I209 HydrophobicContact CG2-CG2 4.25Å; V200-F249 HydrophobicContact CG2-CD1 4.4Å; V200-F249 HydrophobicContact CG2-CE1 4.11Å
201H77.6Confident83Confident109 Ų10937 Ų3751%0.50518%0.181SC..  trans-8478.5171.3-73-42.3000111Q190 S193 V199Q190-H201 PolarHBondContact NE2-O 3.01Å; S193-H201 PolarHBondContact OG-CD2 3.49Å; V199-H201 VanDerWaalsContact CG1-CE1 3.47Å; V199-H201 WeakPolarHBondContact CG1-CE1 3.34Å; V199-H201 PolarHBondContact O-N 3.2Å
202D82.1Confident82Confident21 Ų2141.8 Ų41.811%0.11220%0.203CC..  trans-132.580.1-179.4-171.915.5000112.5V200 Y204 Y205 E206 F207V200-D202 HydrophobicContact CG1-CB 3.81Å; V200-D202 PolarHBondContact O-N 3.46Å; V200-D202 VanDerWaalsContact O-N 3.16Å; D202-Y204 PolarHBondContact O-N 3.48Å; D202-Y205 PolarHBondContact OD1-N 2.93Å; D202-Y205 VanDerWaalsContact OD1-N 3.1Å; D202-Y205 VanDerWaalsContact OD2-C 3.23Å; D202-Y205 WeakPolarHBondContact OD2-CA 3.41Å; D202-E206 VanDerWaalsContact CG-N 3.28Å; D202-E206 PolarHBondContact OD1-N 2.89Å; D202-E206 PolarHBondContact OD2-N 2.92Å; D202-F207 HydrophobicContact CB-CB 4.09Å; D202-F207 WeakPolarHBondContact OD2-CB 3.3Å; D202-F207 PolarHBondContact OD2-N 3.34Å
203P75.6Confident80.2Confident82 Ų8244.2 Ų44.253%0.53222%0.215SC..THydrogen-bonded Turntrans-68.4-20.2-177.625.7-32.7000114.1L80L80-P203 HydrophobicContact CD1-CG 4.07Å; L80-P203 HydrophobicContact CG-CG 4.46Å
204Y75.6Confident78.2Confident82 Ų8247.7 Ų47.732%0.32223%0.232SC..THydrogen-bonded Turntrans-116.19.5-173.1-57.9-68.7000113.6S76 L80 D202 E206S76-Y204 VanDerWaalsContact O-CE2 3.23Å; S76-Y204 WeakPolarHBondContact O-CE2 3.26Å; S76-Y204 PolarHBondContact O-OH 3.25Å; L80-Y204 HydrophobicContact CD2-CE2 4.3Å; L80-Y204 HydrophobicContact CG-CD2 4.05Å; L80-Y204 HydrophobicContact CG-CE2 4.16Å; D202-Y204 PolarHBondContact O-N 3.48Å; Y204-E206 VanDerWaalsContact C-N 3.33Å; Y204-E206 PolarHBondContact O-N 3.39Å
205Y75.8Confident75.7Confident121 Ų12153.3 Ų53.348%0.47527%0.267SS..SBendtrans58.140.5-179.7-52.6-76000113.9D202 L214 N255D202-Y205 PolarHBondContact OD1-N 2.93Å; D202-Y205 VanDerWaalsContact OD1-N 3.1Å; D202-Y205 VanDerWaalsContact OD2-C 3.23Å; D202-Y205 WeakPolarHBondContact OD2-CA 3.41Å; Y205-L214 HydrophobicContact CE1-CD1 4.16Å; Y205-N255 PolarHBondContact O-ND2 2.73Å
206E81.3Confident73.2Confident5 Ų559.6 Ų59.62%0.02331%0.305CS..  trans-97.4-21.5-174-59175.2137.300113.2G79 L80 Y81 S153 C155 D202 Y204G79-E206 WeakPolarHBondContact CA-OE1 3.49Å; L80-E206 WeakPolarHBondContact CB-OE2 3.39Å; L80-E206 PolarHBondContact N-OE1 3.3Å; L80-E206 VanDerWaalsContact N-OE1 3.12Å; L80-E206 PolarHBondContact N-OE2 3.28Å; Y81-E206 HydrophobicContact CD2-CB 3.63Å; Y81-E206 HydrophobicContact CD2-CG 4.27Å; Y81-E206 WeakPolarHBondContact CD2-OE2 3.23Å; Y81-E206 HydrophobicContact CE2-CB 3.68Å; S153-E206 WeakPolarHBondContact CB-OE1 3.24Å; S153-E206 WeakPolarHBondContact O-CB 3.42Å; S153-E206 WeakPolarHBondContact O-CG 3.08Å; S153-E206 PolarHBondContact OG-OE1 3.33Å; C155-E206 PolarHBondContact N-O 3.23Å; D202-E206 VanDerWaalsContact CG-N 3.28Å; D202-E206 PolarHBondContact OD1-N 2.89Å; D202-E206 PolarHBondContact OD2-N 2.92Å; Y204-E206 VanDerWaalsContact C-N 3.33Å; Y204-E206 PolarHBondContact O-N 3.39Å
207F83.1Confident70.5Confident2 Ų263 Ų631%0.00933%0.334CS..SBendtrans-80.2157.5-178.6-164.3-124.8000110.5F187 Q190 V200 D202 I209 N255F187-F207 HydrophobicContact CD2-CE2 4.29Å; F187-F207 HydrophobicContact CE2-CE2 4.17Å; Q190-F207 HydrophobicContact CB-CD2 4.1Å; Q190-F207 HydrophobicContact CB-CE2 4.09Å; V200-F207 HydrophobicContact CG1-CD1 4.41Å; D202-F207 HydrophobicContact CB-CB 4.09Å; D202-F207 WeakPolarHBondContact OD2-CB 3.3Å; D202-F207 PolarHBondContact OD2-N 3.34Å; F207-I209 HydrophobicContact CD1-CB 3.77Å; F207-I209 HydrophobicContact CD1-CD1 4.5Å; F207-I209 HydrophobicContact CD1-CG1 3.99Å; F207-I209 HydrophobicContact CE1-CB 3.89Å; F207-I209 HydrophobicContact CE1-CD1 3.72Å; F207-I209 HydrophobicContact CE1-CG1 3.64Å; F207-I209 HydrophobicContact CZ-CD1 4.48Å; F207-I209 PolarHBondContact O-N 2.95Å; F207-N255 PolarHBondContact O-ND2 3.25Å; F207-N255 VanDerWaalsContact O-ND2 3.09Å
208F82.6Confident68Low0 Ų063.8 Ų63.80%035%0.352CS..SBendtrans-80.9-0.9-177.665.7-93000113.4F187 I251 D252 N255 L256 A265 V268F187-F208 HydrophobicContact CE2-CD1 4.32Å; F187-F208 AromaticContact CE2-CE1 3.79Å; F187-F208 HydrophobicContact CE2-CE1 3.79Å; F187-F208 HydrophobicContact CZ-CE1 4.29Å; F208-I251 WeakPolarHBondContact O-CA 3.45Å; F208-D252 PolarHBondContact O-N 2.8Å; F208-N255 HydrophobicContact CB-CB 4.44Å; F208-L256 HydrophobicContact CB-CD1 4.4Å; F208-L256 HydrophobicContact CG-CD1 4.32Å; F208-A265 HydrophobicContact CD2-CB 3.99Å; F208-A265 HydrophobicContact CE2-CB 3.92Å; F208-V268 HydrophobicContact CE2-CB 4.33Å; F208-V268 HydrophobicContact CE2-CG1 4.34Å; F208-V268 HydrophobicContact CZ-CB 4.2Å; F208-V268 HydrophobicContact CZ-CG1 3.99Å
209I82.1Confident65.4Low1 Ų169.7 Ų69.71%0.00539%0.388CS..EExtended strand (participates in β ladder)trans-109.3114.7175.8-57.2-174000108.5W194 V200 F207 F249 V268 L269W194-I209 HydrophobicContact CD2-CD1 4.34Å; W194-I209 HydrophobicContact CG-CD1 4.16Å; W194-I209 HydrophobicContact CZ2-CD1 4.49Å; W194-I209 HydrophobicContact CZ2-CG2 4.36Å; V200-I209 HydrophobicContact CG2-CG2 4.25Å; F207-I209 HydrophobicContact CD1-CB 3.77Å; F207-I209 HydrophobicContact CD1-CD1 4.5Å; F207-I209 HydrophobicContact CD1-CG1 3.99Å; F207-I209 HydrophobicContact CE1-CB 3.89Å; F207-I209 HydrophobicContact CE1-CD1 3.72Å; F207-I209 HydrophobicContact CE1-CG1 3.64Å; F207-I209 HydrophobicContact CZ-CD1 4.48Å; F207-I209 PolarHBondContact O-N 2.95Å; I209-F249 HydrophobicContact CG2-CB 4.26Å; I209-F249 HydrophobicContact CG2-CD1 4.17Å; I209-V268 HydrophobicContact CD1-CG1 3.88Å; I209-L269 HydrophobicContact CG2-CD1 3.88Å
210K79.8Confident62.8Low70 Ų7074.5 Ų74.530%0.30441%0.406SS..EExtended strand (participates in β ladder)trans-104.7143.2179.5-77.4-177.7172.9165.10111.5F249 S250 D252K210-F249 CarbonylContact O-C 3.57Å; K210-F249 WeakPolarHBondContact O-CA 3.43Å; K210-S250 PolarHBondContact N-O 3.4Å; K210-S250 PolarHBondContact O-N 3.3Å; K210-D252 HydrophobicContact CD-CB 3.74Å; K210-D252 VanDerWaalsContact CE-CG 3.44Å; K210-D252 WeakPolarHBondContact CE-OD2 3.49Å; K210-D252 HydrophobicContact CG-CB 3.99Å; K210-D252 IonicContact NZ-OD1 3.67Å; K210-D252 PolarHBondContact NZ-OD1 2.87Å; K210-D252 IonicContact NZ-OD2 3.57Å; K210-D252 PolarHBondContact NZ-OD2 2.71Å
211L76.8Confident60.3Low56 Ų5677.7 Ų77.729%0.29343%0.428SS..EExtended strand (participates in β ladder)trans-87.4117.1167.4-165.277.9000109N213 L214 P247 F249L211-N213 HydrophobicContact CD2-CB 4.45Å; L211-N213 HydrophobicContact CG-CB 4.46Å; L211-N213 PolarHBondContact O-N 3.18Å; L211-L214 HydrophobicContact CD2-CD1 4.17Å; L211-P247 HydrophobicContact CD1-CB 3.42Å; L211-P247 VanDerWaalsContact CD1-CB 3.42Å; L211-P247 HydrophobicContact CD1-CG 4.45Å; L211-P247 HydrophobicContact CG-CB 4.29Å; L211-F249 HydrophobicContact CD1-CD1 3.84Å; L211-F249 HydrophobicContact CD1-CE1 3.42Å; L211-F249 VanDerWaalsContact CD1-CE1 3.42Å; L211-F249 HydrophobicContact CD1-CZ 3.88Å
212E68.7Low57.9Low101 Ų10179 Ų7947%0.47244%0.439SS..G310 helixtrans-68.5-19.2-174.6-161.3173.2-17200113.1L214 T215 K248E212-L214 PolarHBondContact O-N 3.49Å; E212-L214 VanDerWaalsContact O-N 3.08Å; E212-T215 PolarHBondContact O-OG1 3.4Å; E212-K248 HydrophobicContact CB-CB 4.2Å; E212-K248 WeakPolarHBondContact CB-O 3.25Å; E212-K248 PolarHBondContact N-O 2.76Å; E212-K248 WeakPolarHBondContact OE2-CB 3.27Å
213N52.2Low55.8Low74 Ų7483.8 Ų83.840%0.39647%0.471SS..G310 helixtrans-68.2-9.1-175.1-73.44000115.4L211L211-N213 HydrophobicContact CD2-CB 4.45Å; L211-N213 HydrophobicContact CG-CB 4.46Å; L211-N213 PolarHBondContact O-N 3.18Å
214L47Very low53.6Low80 Ų8084.7 Ų84.742%0.41948%0.479SS..G310 helixtrans-93.3-9.3-175.8-86143000115Y205 L211 E212Y205-L214 HydrophobicContact CE1-CD1 4.16Å; L211-L214 HydrophobicContact CD2-CD1 4.17Å; E212-L214 PolarHBondContact O-N 3.49Å; E212-L214 VanDerWaalsContact O-N 3.08Å
215T38.3Very low51.7Low119 Ų11988.1 Ų88.173%0.7350%0.501SS*.SBendtrans-87.9-5.8-172.7560000115E212E212-T215 PolarHBondContact O-OG1 3.4Å
216T36.3Very low49.7Very low132 Ų13288.6 Ų88.681%0.8151%0.512SS*.SBendtrans-115.10.9-178.753.30000116
217A30.8Very low47.2Very low74 Ų7496.2 Ų96.261%0.61255%0.547SS*.SBendtrans-111.898.417500000111.5
218S31.5Very low44.5Very low104 Ų104100.3 Ų100.373%0.72759%0.59SS**  trans30.9123.2156.264.80000120.2
219T29.4Very low41.9Very low124 Ų124105 Ų10576%0.76162%0.622SS**SBendtrans-8.3121.8146.2-35.50000114.8
220H29.1Very low39.3Very low162 Ų162114.8 Ų114.875%0.7567%0.668SS**  trans102.498.2178.7-57.6-66000115.3N222H220-N222 PolarHBondContact O-N 2.88Å
221P30.9Very low36.5Very low112 Ų112114.2 Ų114.273%0.72768%0.682SS**  trans-77110176.730.2-29.5000110.2P223P221-P223 WeakPolarHBondContact O-CD 3.22Å
222N27.1Very low34.1Very low137 Ų137121.9 Ų121.973%0.73371%0.708SS**  trans-93.1109.6160.2-77.5-16.5000107.9H220 S224H220-N222 PolarHBondContact O-N 2.88Å; N222-S224 PolarHBondContact O-N 3.43Å; N222-S224 VanDerWaalsContact O-N 3.07Å
223P37.1Very low32.1Very low121 Ų121127 Ų12779%0.78673%0.73SS**  trans-82.529.8-170.532.1-34.2000114.9P221P221-P223 WeakPolarHBondContact O-CD 3.22Å
224S30.7Very low30.9Very low101 Ų101130 Ų13071%0.70675%0.745SS**  trans-103.312.8-171.352.60000116.2N222N222-S224 PolarHBondContact O-N 3.43Å; N222-S224 VanDerWaalsContact O-N 3.07Å
225I35Very low30Very low154 Ų154132.3 Ų132.379%0.7976%0.758SS**SBendtrans-101.6-12.4178.4-61.8177.3000113.3
226L34.6Very low29.6Very low132 Ų132135.3 Ų135.369%0.69177%0.769SS**SBendtrans-113.56.2-171.5-71.4171.8000116.3
227Q28.8Very low29.2Very low165 Ų165134 Ų13477%0.77177%0.765SS**SBendtrans-93.9111.3164.6-76.2-175.12.700108.8S229Q227-S229 PolarHBondContact O-N 3.25Å
228G26.7Very low29.2Very low88 Ų88135.6 Ų135.691%0.90777%0.772SS**  trans-49.6101.7173.300000110.5
229S26.9Very low29.1Very low97 Ų97140.4 Ų140.468%0.67878%0.779SS**  trans-120.199.3173.4-71.70000107.5Q227 G231Q227-S229 PolarHBondContact O-N 3.25Å; S229-G231 PolarHBondContact O-N 3.26Å; S229-G231 VanDerWaalsContact O-N 3.13Å
230H27.1Very low29.1Very low207 Ų207142 Ų14296%0.95878%0.784SS**  trans-48.3110.4148.3-79.2-77.5000108.8
231G21.9Very low29.4Very low58 Ų58142.3 Ų142.360%0.59879%0.791SS**  trans142.8108.4168.400000113.8S229S229-G231 PolarHBondContact O-N 3.26Å; S229-G231 VanDerWaalsContact O-N 3.13Å
232Y25.2Very low29.3Very low218 Ų218141.8 Ų141.886%0.85579%0.789SS**  trans51110.4153.6-82.9-100000117.2
233F27.4Very low29.4Very low209 Ų209144.1 Ų144.192%0.91780%0.797SS**  -164.4113.8114-101.5-73.4000110.7
234D27.2Very low29.6Very low136 Ų136145 Ų14573%0.72780%0.8SS**  trans-53.9158.1150.6-150-2.9000109.9
235D28.2Very low30.3Very low129 Ų129144.4 Ų144.469%0.6979%0.793SS**  trans75.670.6172.5-66.6-25.8000120.1
236L30.4Very low31.1Very low181 Ų181142.6 Ų142.695%0.94878%0.779SS**  trans-143.359.3140.2-82.7179.4000111.1S238L236-S238 PolarHBondContact O-N 2.91Å
237S26.9Very low32.6Very low105 Ų105137.8 Ų137.873%0.73476%0.756SS**  trans-73.598.2161.457.30000110
238S30.9Very low34.7Very low108 Ų108136.6 Ų136.676%0.75575%0.748SS**  trans158.279148.550.80000112.2L236L236-S238 PolarHBondContact O-N 2.91Å
239K29.9Very low37.3Very low204 Ų204133.5 Ų133.589%0.88771%0.71SS**  trans-17475146-101.9165.2-172.9-177.60108.3
240N28.4Very low40Very low159 Ų159130.9 Ų130.985%0.8569%0.692SS**  trans-61.4146.7160.8-70.1-16.6000109
241D35.4Very low42.6Very low167 Ų167122.7 Ų122.789%0.89366%0.655SS**SBendtrans112.511171.6-67.1-10.1000119.5
242C30.3Very low45.4Very low102 Ų102120.6 Ų120.669%0.68963%0.63SS**SBendtrans-150.962.1163.9-161.60000112.7
243M28.8Very low47.8Very low185 Ų185115.6 Ų115.691%0.91162%0.618SS**SBendtrans-130.210.5173.1-103.7-159.879.900114.4
244T40.2Very low50Low139 Ų139111.5 Ų111.585%0.85360%0.602SS**  trans-106.5-1.3179.5540000114.3K246T244-K246 PolarHBondContact O-N 2.87Å
245T45.5Very low52.3Low90 Ų90105.2 Ų105.255%0.55257%0.568SS**SBendtrans-82.7101.3174.156.90000109.6
246K53.5Low54.7Low115 Ų11599.9 Ų99.950%0.554%0.539SS..  trans-45.1138.5169.5-79.2-178.5174.9-179.70110.1T244 K248 P477T244-K246 PolarHBondContact O-N 2.87Å; K246-K248 PolarHBondContact O-N 2.98Å; K246-P477 PolarHBondContact NZ-O 2.72Å
247P65.8Low56.9Low32 Ų3291.2 Ų91.221%0.20849%0.494CS..PPolyproline II helixtrans-60.1124173.919.6-25.8000110.1L211 F249 Y276L211-P247 HydrophobicContact CD1-CB 3.42Å; L211-P247 VanDerWaalsContact CD1-CB 3.42Å; L211-P247 HydrophobicContact CD1-CG 4.45Å; L211-P247 HydrophobicContact CG-CB 4.29Å; P247-F249 HydrophobicContact CG-CE2 4.47Å; P247-Y276 HydrophobicContact CG-CE1 3.67Å; P247-Y276 WeakPolarHBondContact CG-OH 3.44Å
248K72.8Confident59.1Low139 Ų13990.9 Ų90.960%0.60449%0.491SS*.PPolyproline II helixtrans-88130.2171.4-69.3-177.6179.7177.70109E212 K246E212-K248 HydrophobicContact CB-CB 4.2Å; E212-K248 WeakPolarHBondContact CB-O 3.25Å; E212-K248 PolarHBondContact N-O 2.76Å; E212-K248 WeakPolarHBondContact OE2-CB 3.27Å; K246-K248 PolarHBondContact O-N 2.98Å
249F81.1Confident61.2Low23 Ų2388.2 Ų88.210%0.10147%0.467CS..EExtended strand (participates in β ladder)trans-97.1137.8173.8-58.7-88.6000108.7W194 V200 I209 K210 L211 P247 L269 E273 Y276W194-F249 AromaticContact CH2-CD1 3.64Å; W194-F249 HydrophobicContact CH2-CD1 3.64Å; W194-F249 HydrophobicContact CH2-CD2 4Å; W194-F249 AromaticContact CH2-CE1 3.5Å; W194-F249 HydrophobicContact CH2-CE1 3.5Å; W194-F249 VanDerWaalsContact CH2-CE1 3.5Å; W194-F249 AromaticContact CH2-CE2 3.89Å; W194-F249 HydrophobicContact CH2-CE2 3.89Å; W194-F249 AromaticContact CH2-CG 3.88Å; W194-F249 HydrophobicContact CH2-CG 3.88Å; W194-F249 AromaticContact CH2-CZ 3.63Å; W194-F249 HydrophobicContact CH2-CZ 3.63Å; W194-F249 HydrophobicContact CZ2-CD1 4.36Å; W194-F249 HydrophobicContact CZ2-CG 4.39Å; W194-F249 HydrophobicContact CZ3-CD1 4.18Å; W194-F249 AromaticContact CZ3-CE1 3.68Å; W194-F249 HydrophobicContact CZ3-CE1 3.68Å; W194-F249 AromaticContact CZ3-CZ 3.9Å; W194-F249 HydrophobicContact CZ3-CZ 3.9Å; V200-F249 HydrophobicContact CG2-CD1 4.4Å; V200-F249 HydrophobicContact CG2-CE1 4.11Å; I209-F249 HydrophobicContact CG2-CB 4.26Å; I209-F249 HydrophobicContact CG2-CD1 4.17Å; K210-F249 CarbonylContact O-C 3.57Å; K210-F249 WeakPolarHBondContact O-CA 3.43Å; L211-F249 HydrophobicContact CD1-CD1 3.84Å; L211-F249 HydrophobicContact CD1-CE1 3.42Å; L211-F249 VanDerWaalsContact CD1-CE1 3.42Å; L211-F249 HydrophobicContact CD1-CZ 3.88Å; P247-F249 HydrophobicContact CG-CE2 4.47Å; F249-L269 HydrophobicContact CB-CD1 3.45Å; F249-L269 VanDerWaalsContact CB-CD1 3.45Å; F249-E273 HydrophobicContact CB-CG 4.31Å; F249-E273 HydrophobicContact CD2-CG 3.79Å; F249-E273 HydrophobicContact CG-CG 4.35Å; F249-Y276 AromaticContact CE2-CD1 3.73Å; F249-Y276 HydrophobicContact CE2-CD1 3.73Å; F249-Y276 AromaticContact CE2-CE1 3.99Å; F249-Y276 HydrophobicContact CE2-CE1 3.99Å; F249-Y276 HydrophobicContact CE2-CG 4.04Å; F249-Y276 AromaticContact CZ-CD1 3.99Å; F249-Y276 HydrophobicContact CZ-CD1 3.99Å; F249-Y276 HydrophobicContact CZ-CD2 4.04Å; F249-Y276 HydrophobicContact CZ-CE1 4.07Å; F249-Y276 HydrophobicContact CZ-CE2 4.09Å; F249-Y276 AromaticContact CZ-CG 3.96Å; F249-Y276 HydrophobicContact CZ-CG 3.96Å
250S82.9Confident63.6Low43 Ų4378.9 Ų78.930%0.30143%0.426SS..EExtended strand (participates in β ladder)trans-129.5150.5177.157.50000110.9K210K210-S250 PolarHBondContact N-O 3.4Å; K210-S250 PolarHBondContact O-N 3.3Å
251I82.6Confident66.2Low34 Ų3473.9 Ų73.917%0.17440%0.402CS..EExtended strand (participates in β ladder)trans-81.1124.6173.5-59.5171.9000108.1F208 N253 A265 Q266 L269F208-I251 WeakPolarHBondContact O-CA 3.45Å; I251-N253 PolarHBondContact O-N 2.92Å; I251-A265 HydrophobicContact CD1-CB 4.13Å; I251-A265 HydrophobicContact CG2-CB 4.18Å; I251-Q266 HydrophobicContact CD1-CB 4.18Å; I251-Q266 VanDerWaalsContact CD1-OE1 3.23Å; I251-L269 HydrophobicContact CD1-CD2 4.29Å; I251-L269 HydrophobicContact CG1-CB 4.35Å; I251-L269 HydrophobicContact CG1-CD2 3.92Å
252D79.4Confident68.6Low15 Ų1570.1 Ų70.18%0.0839%0.385CS..  trans-86106.1168.3-171.917.5000111.1F208 K210 E254 N255 L256F208-D252 PolarHBondContact O-N 2.8Å; K210-D252 HydrophobicContact CD-CB 3.74Å; K210-D252 VanDerWaalsContact CE-CG 3.44Å; K210-D252 WeakPolarHBondContact CE-OD2 3.49Å; K210-D252 HydrophobicContact CG-CB 3.99Å; K210-D252 IonicContact NZ-OD1 3.67Å; K210-D252 PolarHBondContact NZ-OD1 2.87Å; K210-D252 IonicContact NZ-OD2 3.57Å; K210-D252 PolarHBondContact NZ-OD2 2.71Å; D252-E254 PolarHBondContact O-N 3.34Å; D252-E254 PolarHBondContact OD1-N 3.34Å; D252-E254 VanDerWaalsContact OD1-N 3.14Å; D252-N255 HydrophobicContact CB-CB 4.26Å; D252-N255 PolarHBondContact O-N 3.23Å; D252-N255 PolarHBondContact OD2-ND2 2.84Å; D252-N255 VanDerWaalsContact OD2-ND2 3.09Å; D252-L256 PolarHBondContact O-N 3.48Å
253N76.3Confident71.2Confident112 Ų11268.7 Ų68.760%0.59938%0.377SS*.THydrogen-bonded Turntrans-67.3-20.2177.5-67.8-33.8000112.7I251I251-N253 PolarHBondContact O-N 2.92Å
254E73.8Confident74Confident124 Ų12459.9 Ų59.958%0.57933%0.333SS*.THydrogen-bonded Turntrans-75.1-36.8178.9-61-169.916500112.1R156 D252R156-E254 WeakPolarHBondContact CD-O 3.43Å; D252-E254 PolarHBondContact O-N 3.34Å; D252-E254 PolarHBondContact OD1-N 3.34Å; D252-E254 VanDerWaalsContact OD1-N 3.14Å
255N76.1Confident76.2Confident4 Ų453.2 Ų53.22%0.02129%0.293CS..THydrogen-bonded Turntrans-85.7-9.9179.6-73.7-12.7000113.7S154 C155 Y205 F207 F208 D252 P257S154-N255 WeakPolarHBondContact CB-OD1 3.39Å; S154-N255 PolarHBondContact OG-OD1 3Å; C155-N255 WeakPolarHBondContact CB-O 3.45Å; Y205-N255 PolarHBondContact O-ND2 2.73Å; F207-N255 PolarHBondContact O-ND2 3.25Å; F207-N255 VanDerWaalsContact O-ND2 3.09Å; F208-N255 HydrophobicContact CB-CB 4.44Å; D252-N255 HydrophobicContact CB-CB 4.26Å; D252-N255 PolarHBondContact O-N 3.23Å; D252-N255 PolarHBondContact OD2-ND2 2.84Å; D252-N255 VanDerWaalsContact OD2-ND2 3.09Å; N255-P257 VanDerWaalsContact O-CD 3.26Å; N255-P257 WeakPolarHBondContact O-CD 3.48Å
256L78.2Confident78.2Confident16 Ų1652.6 Ų52.68%0.08428%0.283CS..  trans-70.3119.5179.3-172.667.1000110.9F208 D252 L260 A265F208-L256 HydrophobicContact CB-CD1 4.4Å; F208-L256 HydrophobicContact CG-CD1 4.32Å; D252-L256 PolarHBondContact O-N 3.48Å; L256-L260 HydrophobicContact CD1-CB 3.87Å; L256-L260 HydrophobicContact CD1-CD1 4.35Å; L256-A265 HydrophobicContact CD1-CB 3.86Å
257P76.3Confident79.8Confident0 Ų049.8 Ų49.80%027%0.27CS..  trans-64.5145.1172.6-19.231.6000112.5C155 N255 F259 L260C155-P257 HydrophobicContact CB-CG 3.75Å; C155-P257 WeakPolarHBondContact SG-CG 3.21Å; N255-P257 VanDerWaalsContact O-CD 3.26Å; N255-P257 WeakPolarHBondContact O-CD 3.48Å; P257-F259 HydrophobicContact CB-CD1 3.48Å; P257-F259 VanDerWaalsContact CB-CD1 3.48Å; P257-F259 HydrophobicContact CB-CE1 3.15Å; P257-F259 HydrophobicContact CB-CG 4.4Å; P257-F259 HydrophobicContact CB-CZ 3.85Å; P257-F259 HydrophobicContact CG-CE1 3.79Å; P257-F259 HydrophobicContact CG-CZ 4.09Å; P257-F259 PolarHBondContact O-N 3.14Å; P257-F259 VanDerWaalsContact O-N 3.16Å; P257-L260 HydrophobicContact CB-CG 4.4Å; P257-L260 HydrophobicContact CG-CD1 4.04Å; P257-L260 HydrophobicContact CG-CG 4.36Å; P257-L260 PolarHBondContact O-N 3.33Å
258S73.8Confident80.9Confident97 Ų9748.2 Ų48.268%0.67826%0.26SS*.THydrogen-bonded Turntrans-60.9-25.8-17869.70000114.3D159 L260D159-S258 VanDerWaalsContact CG-N 3.3Å; D159-S258 WeakPolarHBondContact OD1-CB 3.22Å; D159-S258 PolarHBondContact OD1-N 2.95Å; D159-S258 PolarHBondContact OD1-OG 3.32Å; D159-S258 WeakPolarHBondContact OD2-CB 3.41Å; D159-S258 PolarHBondContact OD2-N 3.14Å; D159-S258 PolarHBondContact OD2-OG 2.92Å; S258-L260 VanDerWaalsContact C-N 3.34Å
259F73.2Confident81.7Confident53 Ų5342.1 Ų42.123%0.23223%0.234CC..THydrogen-bonded Turntrans-79.4-15.1177.571.4-91.8000113.4L158 L162 M184 P257 P261L158-F259 HydrophobicContact CB-CE1 3.95Å; L158-F259 HydrophobicContact CD1-CE1 3.84Å; L158-F259 HydrophobicContact CD1-CZ 3.98Å; L162-F259 HydrophobicContact CD1-CD1 4.46Å; M184-F259 HydrophobicContact CE-CE1 4.25Å; M184-F259 HydrophobicContact CE-CE2 4.42Å; M184-F259 HydrophobicContact CE-CZ 3.71Å; P257-F259 HydrophobicContact CB-CD1 3.48Å; P257-F259 VanDerWaalsContact CB-CD1 3.48Å; P257-F259 HydrophobicContact CB-CE1 3.15Å; P257-F259 HydrophobicContact CB-CG 4.4Å; P257-F259 HydrophobicContact CB-CZ 3.85Å; P257-F259 HydrophobicContact CG-CE1 3.79Å; P257-F259 HydrophobicContact CG-CZ 4.09Å; P257-F259 PolarHBondContact O-N 3.14Å; P257-F259 VanDerWaalsContact O-N 3.16Å; F259-P261 WeakPolarHBondContact O-CD 3.44Å
260L80.7Confident81.8Confident7 Ų743 Ų434%0.03724%0.238CC..SBendtrans-92.9117.3178.4-66.5-173.8000110.3F187 L256 P257 S258 F264 F326F187-L260 HydrophobicContact CE2-CD1 3.82Å; F187-L260 HydrophobicContact CZ-CD1 3.7Å; L256-L260 HydrophobicContact CD1-CB 3.87Å; L256-L260 HydrophobicContact CD1-CD1 4.35Å; P257-L260 HydrophobicContact CB-CG 4.4Å; P257-L260 HydrophobicContact CG-CD1 4.04Å; P257-L260 HydrophobicContact CG-CG 4.36Å; P257-L260 PolarHBondContact O-N 3.33Å; S258-L260 VanDerWaalsContact C-N 3.34Å; L260-F264 HydrophobicContact CD1-CD1 4.45Å; L260-F264 HydrophobicContact CD1-CE1 4.39Å; L260-F264 HydrophobicContact CD2-CD1 4.04Å; L260-F264 HydrophobicContact CD2-CE1 4.09Å; L260-F326 HydrophobicContact CD2-CD2 3.79Å; L260-F326 HydrophobicContact CD2-CE2 3.41Å; L260-F326 VanDerWaalsContact CD2-CE2 3.41Å; L260-F326 HydrophobicContact CD2-CZ 4.46Å
261P84Confident82Confident54 Ų5441.1 Ų41.135%0.35123%0.225SC..  trans-62.2143.8173.8-21.332.9000111.6F259 S263 F264 A265 F326F259-P261 WeakPolarHBondContact O-CD 3.44Å; P261-S263 PolarHBondContact O-N 3.32Å; P261-S263 VanDerWaalsContact O-N 3.14Å; P261-F264 WeakPolarHBondContact O-CA 3.34Å; P261-F264 VanDerWaalsContact O-CB 3.32Å; P261-F264 WeakPolarHBondContact O-CB 3.25Å; P261-F264 PolarHBondContact O-N 3.5Å; P261-A265 PolarHBondContact O-N 3.44Å; P261-F326 HydrophobicContact CG-CE1 4.35Å; P261-F326 HydrophobicContact CG-CZ 4.27Å
262T84.4Confident82.2Confident88 Ų8839.5 Ų39.554%0.5422%0.216SC..Hα-helixtrans-57-31.3174-44.60000112.3F264 A265 Q266T262-F264 VanDerWaalsContact C-N 3.3Å; T262-F264 PolarHBondContact O-N 2.93Å; T262-A265 PolarHBondContact O-N 3.19Å; T262-Q266 PolarHBondContact O-N 3.05Å
263S86.1Confident82.4Confident72 Ų7241 Ų4150%0.50322%0.223SC..Hα-helixtrans-66.4-27.5174.161.40000113.7P261 R267P261-S263 PolarHBondContact O-N 3.32Å; P261-S263 VanDerWaalsContact O-N 3.14Å; S263-R267 VanDerWaalsContact O-CG 3.28Å; S263-R267 WeakPolarHBondContact O-CG 3.36Å; S263-R267 PolarHBondContact O-N 3.45Å; S263-R267 PolarHBondContact O-NE 3.47Å
264F87.3Confident82.6Confident0 Ų036.2 Ų36.20%020%0.199CC..Hα-helixtrans-72.4-47171.4175.5-94.4000110.4F187 L191 L260 P261 T262 Q266 R267 V268 F326 I329 V333F187-F264 HydrophobicContact CZ-CE1 4.48Å; L191-F264 HydrophobicContact CD2-CZ 4.47Å; L260-F264 HydrophobicContact CD1-CD1 4.45Å; L260-F264 HydrophobicContact CD1-CE1 4.39Å; L260-F264 HydrophobicContact CD2-CD1 4.04Å; L260-F264 HydrophobicContact CD2-CE1 4.09Å; P261-F264 WeakPolarHBondContact O-CA 3.34Å; P261-F264 VanDerWaalsContact O-CB 3.32Å; P261-F264 WeakPolarHBondContact O-CB 3.25Å; P261-F264 PolarHBondContact O-N 3.5Å; T262-F264 VanDerWaalsContact C-N 3.3Å; T262-F264 PolarHBondContact O-N 2.93Å; F264-Q266 VanDerWaalsContact C-N 3.32Å; F264-Q266 PolarHBondContact O-N 3.49Å; F264-R267 PolarHBondContact O-N 3.41Å; F264-R267 VanDerWaalsContact O-N 3.13Å; F264-V268 HydrophobicContact CD1-CG2 4.14Å; F264-V268 HydrophobicContact CE1-CG2 3.72Å; F264-V268 HydrophobicContact CE2-CG2 4.19Å; F264-V268 HydrophobicContact CZ-CG2 3.75Å; F264-V268 WeakPolarHBondContact O-CG2 3.3Å; F264-V268 PolarHBondContact O-N 3.21Å; F264-F326 HydrophobicContact CB-CZ 4.05Å; F264-F326 HydrophobicContact CD1-CE2 4.3Å; F264-F326 AromaticContact CD2-CE2 3.97Å; F264-F326 HydrophobicContact CD2-CE2 3.97Å; F264-F326 AromaticContact CD2-CZ 3.78Å; F264-F326 HydrophobicContact CD2-CZ 3.78Å; F264-F326 HydrophobicContact CE2-CE2 4.19Å; F264-F326 HydrophobicContact CE2-CZ 4.38Å; F264-F326 HydrophobicContact CG-CE2 4.03Å; F264-F326 AromaticContact CG-CZ 3.88Å; F264-F326 HydrophobicContact CG-CZ 3.88Å; F264-F326 HydrophobicContact CZ-CE2 4.45Å; F264-I329 HydrophobicContact CE2-CG2 4.42Å; F264-I329 HydrophobicContact CZ-CG2 4.09Å; F264-V333 HydrophobicContact CE2-CB 3.92Å; F264-V333 HydrophobicContact CE2-CG1 4.12Å; F264-V333 HydrophobicContact CE2-CG2 3.66Å; F264-V333 HydrophobicContact CZ-CG2 3.85Å
265A87.1Confident83.2Confident0 Ų030.3 Ų30.30%017%0.171CC..Hα-helixtrans-57.7-44.4177.300000112.2F208 I251 L256 P261 T262 R267 V268 L269F208-A265 HydrophobicContact CD2-CB 3.99Å; F208-A265 HydrophobicContact CE2-CB 3.92Å; I251-A265 HydrophobicContact CD1-CB 4.13Å; I251-A265 HydrophobicContact CG2-CB 4.18Å; L256-A265 HydrophobicContact CD1-CB 3.86Å; P261-A265 PolarHBondContact O-N 3.44Å; T262-A265 PolarHBondContact O-N 3.19Å; A265-R267 VanDerWaalsContact C-N 3.35Å; A265-R267 PolarHBondContact O-N 3.03Å; A265-V268 PolarHBondContact O-N 2.99Å; A265-L269 PolarHBondContact O-N 3.42Å
266Q87.6Confident83.6Confident76 Ų7633 Ų3336%0.35518%0.181SC..Hα-helixtrans-60.5-41.4175.6-173.662.929.800112.8I251 T262 F264 L269 E270I251-Q266 HydrophobicContact CD1-CB 4.18Å; I251-Q266 VanDerWaalsContact CD1-OE1 3.23Å; T262-Q266 PolarHBondContact O-N 3.05Å; F264-Q266 VanDerWaalsContact C-N 3.32Å; F264-Q266 PolarHBondContact O-N 3.49Å; Q266-L269 PolarHBondContact O-N 3.48Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.48Å; Q266-E270 PolarHBondContact NE2-OE1 2.86Å; Q266-E270 WeakPolarHBondContact O-CG 3.29Å; Q266-E270 PolarHBondContact O-N 3.2Å
267R86.5Confident83.5Confident56 Ų5634.6 Ų34.621%0.21119%0.194CC..Hα-helixtrans-64.9-41.9176.4-76.3-179.6-69.9164.93112.2S263 F264 A265 T271 C334 Q337S263-R267 VanDerWaalsContact O-CG 3.28Å; S263-R267 WeakPolarHBondContact O-CG 3.36Å; S263-R267 PolarHBondContact O-N 3.45Å; S263-R267 PolarHBondContact O-NE 3.47Å; F264-R267 PolarHBondContact O-N 3.41Å; F264-R267 VanDerWaalsContact O-N 3.13Å; A265-R267 VanDerWaalsContact C-N 3.35Å; A265-R267 PolarHBondContact O-N 3.03Å; R267-T271 VanDerWaalsContact O-CB 3.29Å; R267-T271 WeakPolarHBondContact O-CB 3.44Å; R267-T271 PolarHBondContact O-N 3.37Å; R267-T271 PolarHBondContact O-OG1 3.09Å; R267-C334 PolarHBondContact NH1-SG 2.97Å; R267-Q337 VanDerWaalsContact CD-OE1 3.3Å
268V89.6Confident83.6Confident0 Ų034.7 Ų34.70%020%0.195CC..Hα-helixtrans-65.2-42.8177.6177.50000110.7L191 W194 L195 F208 I209 F264 A265 G272 V333L191-V268 HydrophobicContact CD1-CB 4.46Å; L191-V268 HydrophobicContact CD1-CG1 3.56Å; L191-V268 HydrophobicContact CD1-CG2 3.94Å; W194-V268 PolarHBondContact NE1-O 2.97Å; L195-V268 HydrophobicContact CD2-CG1 4.16Å; L195-V268 HydrophobicContact CG-CG1 4.48Å; F208-V268 HydrophobicContact CE2-CB 4.33Å; F208-V268 HydrophobicContact CE2-CG1 4.34Å; F208-V268 HydrophobicContact CZ-CB 4.2Å; F208-V268 HydrophobicContact CZ-CG1 3.99Å; I209-V268 HydrophobicContact CD1-CG1 3.88Å; F264-V268 HydrophobicContact CD1-CG2 4.14Å; F264-V268 HydrophobicContact CE1-CG2 3.72Å; F264-V268 HydrophobicContact CE2-CG2 4.19Å; F264-V268 HydrophobicContact CZ-CG2 3.75Å; F264-V268 WeakPolarHBondContact O-CG2 3.3Å; F264-V268 PolarHBondContact O-N 3.21Å; A265-V268 PolarHBondContact O-N 2.99Å; V268-G272 PolarHBondContact O-N 3.37Å; V268-V333 HydrophobicContact CG2-CG1 3.89Å; V268-V333 HydrophobicContact CG2-CG2 4.47Å
269L87.8Confident83.9Confident11 Ų1132.5 Ų32.56%0.05818%0.177CC..Hα-helixtrans-55.7-57.1175.4179.871.6000110.6I209 F249 I251 A265 Q266 T271 G272 E273I209-L269 HydrophobicContact CG2-CD1 3.88Å; F249-L269 HydrophobicContact CB-CD1 3.45Å; F249-L269 VanDerWaalsContact CB-CD1 3.45Å; I251-L269 HydrophobicContact CD1-CD2 4.29Å; I251-L269 HydrophobicContact CG1-CB 4.35Å; I251-L269 HydrophobicContact CG1-CD2 3.92Å; A265-L269 PolarHBondContact O-N 3.42Å; Q266-L269 PolarHBondContact O-N 3.48Å; L269-T271 VanDerWaalsContact C-N 3.35Å; L269-T271 PolarHBondContact O-N 3.04Å; L269-G272 PolarHBondContact O-N 3.34Å; L269-E273 HydrophobicContact CD1-CG 4.44Å; L269-E273 HydrophobicContact CG-CG 4.45Å; L269-E273 WeakPolarHBondContact O-CB 3.32Å; L269-E273 WeakPolarHBondContact O-CG 3.41Å; L269-E273 PolarHBondContact O-N 3.02Å
270E83.8Confident83.9Confident41 Ų4135.4 Ų35.419%0.19219%0.191CC..Hα-helixtrans-64.8-38.3-175.4-70.4174-158.700113.5Q266 E273 A274 R591Q266-E270 WeakPolarHBondContact CG-OE1 3.48Å; Q266-E270 PolarHBondContact NE2-OE1 2.86Å; Q266-E270 WeakPolarHBondContact O-CG 3.29Å; Q266-E270 PolarHBondContact O-N 3.2Å; E270-E273 PolarHBondContact O-N 3.48Å; E270-A274 WeakPolarHBondContact O-CB 3.07Å; E270-A274 PolarHBondContact O-N 3.37Å; E270-R591 IonicContact OE1-CZ 3.62Å; E270-R591 IonicContact OE1-NH2 2.72Å; E270-R591 PolarHBondContact OE1-NH2 3.29Å; E270-R591 IonicContact OE2-CZ 2.97Å; E270-R591 IonicContact OE2-NE 3.9Å; E270-R591 PolarHBondContact OE2-NE 2.94Å; E270-R591 VanDerWaalsContact OE2-NE 3.1Å; E270-R591 IonicContact OE2-NH2 3.39Å; E270-R591 PolarHBondContact OE2-NH2 3.43Å
271T86.5Confident83.4Confident4 Ų438 Ų383%0.02521%0.205CC..Hα-helixtrans-64.7-48178.3-55.20000109.8L195 R267 L269 A274 V275 I336 Q337 V340L195-T271 HydrophobicContact CD2-CG2 3.72Å; R267-T271 VanDerWaalsContact O-CB 3.29Å; R267-T271 WeakPolarHBondContact O-CB 3.44Å; R267-T271 PolarHBondContact O-N 3.37Å; R267-T271 PolarHBondContact O-OG1 3.09Å; L269-T271 VanDerWaalsContact C-N 3.35Å; L269-T271 PolarHBondContact O-N 3.04Å; T271-A274 WeakPolarHBondContact O-CB 3.11Å; T271-A274 PolarHBondContact O-N 3.32Å; T271-V275 WeakPolarHBondContact O-CG2 3.44Å; T271-V275 PolarHBondContact O-N 3.43Å; T271-I336 HydrophobicContact CG2-CG2 3.97Å; T271-Q337 HydrophobicContact CG2-CB 4.36Å; T271-Q337 WeakPolarHBondContact OG1-CB 3.47Å; T271-Q337 WeakPolarHBondContact OG1-CG 3.47Å; T271-V340 HydrophobicContact CG2-CB 4.14Å; T271-V340 HydrophobicContact CG2-CG1 4.3Å; T271-V340 HydrophobicContact CG2-CG2 3.99Å
272G86.9Confident82.7Confident0 Ų041.1 Ų41.10%023%0.225CC..Hα-helixtrans-73.8-25.9178.600000113.8W194 V268 L269 A274 V275 Y276W194-G272 VanDerWaalsContact CE2-CA 3.41Å; V268-G272 PolarHBondContact O-N 3.37Å; L269-G272 PolarHBondContact O-N 3.34Å; G272-A274 VanDerWaalsContact C-N 3.32Å; G272-V275 PolarHBondContact O-N 2.9Å; G272-Y276 WeakPolarHBondContact O-CB 3.42Å; G272-Y276 PolarHBondContact O-N 2.88Å
273E84.9Confident82.1Confident47 Ų4739.9 Ų39.922%0.2222%0.22CC..Hα-helixtrans-64.6-37.4168.4-79.5-175.3161.800112W194 F249 L269 E270 S277W194-E273 HydrophobicContact CZ2-CG 4.33Å; F249-E273 HydrophobicContact CB-CG 4.31Å; F249-E273 HydrophobicContact CD2-CG 3.79Å; F249-E273 HydrophobicContact CG-CG 4.35Å; L269-E273 HydrophobicContact CD1-CG 4.44Å; L269-E273 HydrophobicContact CG-CG 4.45Å; L269-E273 WeakPolarHBondContact O-CB 3.32Å; L269-E273 WeakPolarHBondContact O-CG 3.41Å; L269-E273 PolarHBondContact O-N 3.02Å; E270-E273 PolarHBondContact O-N 3.48Å; E273-S277 WeakPolarHBondContact O-CB 3.36Å; E273-S277 PolarHBondContact O-N 3.41Å; E273-S277 PolarHBondContact O-OG 3.38Å
274A81Confident81.5Confident10 Ų1037 Ų378%0.08320%0.199CC..Hα-helixtrans-66.5-43.7173.700000111.1E270 T271 G272 S277 A278 V340E270-A274 WeakPolarHBondContact O-CB 3.07Å; E270-A274 PolarHBondContact O-N 3.37Å; T271-A274 WeakPolarHBondContact O-CB 3.11Å; T271-A274 PolarHBondContact O-N 3.32Å; G272-A274 VanDerWaalsContact C-N 3.32Å; A274-S277 PolarHBondContact O-N 2.94Å; A274-A278 PolarHBondContact O-N 2.96Å; A274-V340 HydrophobicContact CB-CG1 3.58Å
275V84.8Confident81Confident0 Ų039.6 Ų39.60%022%0.22CC..Hα-helixtrans-66.9-36.6175.11780000111.9I196 T271 G272 A278 T279 L288 L291 V340I196-V275 WeakPolarHBondContact O-CG1 3.07Å; T271-V275 WeakPolarHBondContact O-CG2 3.44Å; T271-V275 PolarHBondContact O-N 3.43Å; G272-V275 PolarHBondContact O-N 2.9Å; V275-A278 VanDerWaalsContact O-CB 3.3Å; V275-A278 WeakPolarHBondContact O-CB 3.34Å; V275-A278 PolarHBondContact O-N 3.07Å; V275-T279 HydrophobicContact CG1-CG2 4.49Å; V275-T279 WeakPolarHBondContact O-CG2 3.29Å; V275-T279 PolarHBondContact O-N 2.86Å; V275-L288 HydrophobicContact CG1-CD2 3.91Å; V275-L291 HydrophobicContact CG1-CD1 4.47Å; V275-L291 HydrophobicContact CG2-CD1 4.18Å; V275-V340 HydrophobicContact CG2-CG1 3.93Å; V275-V340 HydrophobicContact CG2-CG2 3.68Å
276Y84.6Confident80.7Confident61 Ų6143.8 Ų43.824%0.23925%0.25CC..Hα-helixtrans-66.1-39.6174.4179.5-97.5000111.2G198 P247 F249 G272 A278 T279 H280G198-Y276 VanDerWaalsContact O-CD2 3.25Å; G198-Y276 WeakPolarHBondContact O-CD2 3.4Å; P247-Y276 HydrophobicContact CG-CE1 3.67Å; P247-Y276 WeakPolarHBondContact CG-OH 3.44Å; F249-Y276 AromaticContact CE2-CD1 3.73Å; F249-Y276 HydrophobicContact CE2-CD1 3.73Å; F249-Y276 AromaticContact CE2-CE1 3.99Å; F249-Y276 HydrophobicContact CE2-CE1 3.99Å; F249-Y276 HydrophobicContact CE2-CG 4.04Å; F249-Y276 AromaticContact CZ-CD1 3.99Å; F249-Y276 HydrophobicContact CZ-CD1 3.99Å; F249-Y276 HydrophobicContact CZ-CD2 4.04Å; F249-Y276 HydrophobicContact CZ-CE1 4.07Å; F249-Y276 HydrophobicContact CZ-CE2 4.09Å; F249-Y276 AromaticContact CZ-CG 3.96Å; F249-Y276 HydrophobicContact CZ-CG 3.96Å; G272-Y276 WeakPolarHBondContact O-CB 3.42Å; G272-Y276 PolarHBondContact O-N 2.88Å; Y276-A278 VanDerWaalsContact C-N 3.31Å; Y276-T279 PolarHBondContact O-N 2.74Å; Y276-T279 PolarHBondContact O-OG1 2.86Å; Y276-H280 AromaticContact CD1-CE1 3.89Å; Y276-H280 AromaticContact CD2-CE1 3.82Å; Y276-H280 AromaticContact CE1-CE1 3.36Å; Y276-H280 WeakPolarHBondContact CE1-CE1 3.33Å; Y276-H280 AromaticContact CE1-ND1 3.91Å; Y276-H280 AromaticContact CE1-NE2 3.94Å; Y276-H280 AromaticContact CE2-CE1 3.32Å; Y276-H280 WeakPolarHBondContact CE2-CE1 3.35Å; Y276-H280 AromaticContact CZ-CE1 3.05Å; Y276-H280 AromaticContact CZ-NE2 3.54Å; Y276-H280 PolarHBondContact O-ND1 3.31Å; Y276-H280 PolarHBondContact OH-CE1 2.89Å; Y276-H280 VanDerWaalsContact OH-CE1 3.28Å; Y276-H280 PolarHBondContact OH-NE2 3.01Å
277S77.5Confident80.4Confident49 Ų4940.4 Ų40.434%0.34323%0.234SC..Hα-helixtrans-63.2-43174.2-55.70000110.5E273 A274 T279 H280E273-S277 WeakPolarHBondContact O-CB 3.36Å; E273-S277 PolarHBondContact O-N 3.41Å; E273-S277 PolarHBondContact O-OG 3.38Å; A274-S277 PolarHBondContact O-N 2.94Å; S277-T279 VanDerWaalsContact C-N 3.3Å; S277-T279 PolarHBondContact O-N 2.95Å; S277-H280 PolarHBondContact O-N 2.8Å
278A78.5Confident80.2Confident3 Ų339.2 Ų39.23%0.02523%0.232CC..Hα-helixtrans-57-38.8174.800000113.5A274 V275 Y276 H280 D281 E284 F287A274-A278 PolarHBondContact O-N 2.96Å; V275-A278 VanDerWaalsContact O-CB 3.3Å; V275-A278 WeakPolarHBondContact O-CB 3.34Å; V275-A278 PolarHBondContact O-N 3.07Å; Y276-A278 VanDerWaalsContact C-N 3.31Å; A278-H280 PolarHBondContact O-N 3.21Å; A278-D281 PolarHBondContact O-N 3.01Å; A278-E284 WeakPolarHBondContact CA-OE2 3.48Å; A278-E284 HydrophobicContact CB-CB 4.31Å; A278-E284 WeakPolarHBondContact CB-OE2 3.44Å; A278-F287 HydrophobicContact CB-CD1 4.48Å
279T78.5Confident79.9Confident51 Ų5144.6 Ų44.631%0.31326%0.26SS..Hα-helixtrans-70.3-19.3-178.865.10000113.8Y197 V275 Y276 S277 L288Y197-T279 WeakPolarHBondContact O-CG2 3.1Å; V275-T279 HydrophobicContact CG1-CG2 4.49Å; V275-T279 WeakPolarHBondContact O-CG2 3.29Å; V275-T279 PolarHBondContact O-N 2.86Å; Y276-T279 PolarHBondContact O-N 2.74Å; Y276-T279 PolarHBondContact O-OG1 2.86Å; S277-T279 VanDerWaalsContact C-N 3.3Å; S277-T279 PolarHBondContact O-N 2.95Å; T279-L288 HydrophobicContact CG2-CD1 3.51Å; T279-L288 HydrophobicContact CG2-CD2 3.82Å; T279-L288 HydrophobicContact CG2-CG 4.32Å
280H73.1Confident79.7Confident114 Ų11449.1 Ų49.153%0.52828%0.281SS..Hα-helixtrans-82.2-20.2176.3-69.964.5000112.1Y276 S277 A278Y276-H280 AromaticContact CD1-CE1 3.89Å; Y276-H280 AromaticContact CD2-CE1 3.82Å; Y276-H280 AromaticContact CE1-CE1 3.36Å; Y276-H280 WeakPolarHBondContact CE1-CE1 3.33Å; Y276-H280 AromaticContact CE1-ND1 3.91Å; Y276-H280 AromaticContact CE1-NE2 3.94Å; Y276-H280 AromaticContact CE2-CE1 3.32Å; Y276-H280 WeakPolarHBondContact CE2-CE1 3.35Å; Y276-H280 AromaticContact CZ-CE1 3.05Å; Y276-H280 AromaticContact CZ-NE2 3.54Å; Y276-H280 PolarHBondContact O-ND1 3.31Å; Y276-H280 PolarHBondContact OH-CE1 2.89Å; Y276-H280 VanDerWaalsContact OH-CE1 3.28Å; Y276-H280 PolarHBondContact OH-NE2 3.01Å; S277-H280 PolarHBondContact O-N 2.8Å; A278-H280 PolarHBondContact O-N 3.21Å
281D70.8Confident79.7Confident60 Ų6047.3 Ų47.332%0.32127%0.272SS..SBendtrans-96.1113179.5-69.5-36.2000110.1A278 S283 E284A278-D281 PolarHBondContact O-N 3.01Å; D281-S283 PolarHBondContact O-N 3.48Å; D281-S283 VanDerWaalsContact O-N 3.11Å; D281-E284 HydrophobicContact CB-CG 4.2Å; D281-E284 PolarHBondContact O-N 3.22Å
282P68.9Low79.7Confident120 Ų12050.9 Ų50.978%0.77929%0.289SS*.G310 helixtrans-65.8-18-174.726.2-34.7000113.6E284P282-E284 PolarHBondContact O-N 3.18Å
283S71.7Confident79.7Confident62 Ų6258.8 Ų58.843%0.43432%0.323SS..G310 helixtrans-64.2-28.7173.546.60000112.4D281 A285 E351D281-S283 PolarHBondContact O-N 3.48Å; D281-S283 VanDerWaalsContact O-N 3.11Å; S283-A285 PolarHBondContact O-N 3.19Å; S283-E351 PolarHBondContact OG-OE2 3.39Å
284E75.3Confident79.7Confident11 Ų1159.9 Ų59.95%0.05133%0.331CS..G310 helixtrans-91.86.7-172.1-52.9-157.1158.700113.7A278 D281 P282 S286 F287 L288 H343 S347A278-E284 WeakPolarHBondContact CA-OE2 3.48Å; A278-E284 HydrophobicContact CB-CB 4.31Å; A278-E284 WeakPolarHBondContact CB-OE2 3.44Å; D281-E284 HydrophobicContact CB-CG 4.2Å; D281-E284 PolarHBondContact O-N 3.22Å; P282-E284 PolarHBondContact O-N 3.18Å; E284-S286 PolarHBondContact O-N 3.22Å; E284-S286 VanDerWaalsContact O-N 3.12Å; E284-F287 WeakPolarHBondContact O-CB 3.48Å; E284-F287 PolarHBondContact O-N 2.8Å; E284-L288 PolarHBondContact O-N 3.15Å; E284-H343 IonicContact OE1-CE1 3.58Å; E284-H343 IonicContact OE1-ND1 3.95Å; E284-H343 IonicContact OE2-CE1 3.64Å; E284-H343 IonicContact OE2-ND1 2.58Å; E284-S347 WeakPolarHBondContact OE1-CB 3.32Å; E284-S347 PolarHBondContact OE1-OG 2.91Å
285A76Confident80Confident55 Ų5559.9 Ų59.946%0.45533%0.328SS..Hα-helixtrans-56.8-32.4177.600000113S283 F287 L288 L289S283-A285 PolarHBondContact O-N 3.19Å; A285-F287 VanDerWaalsContact C-N 3.33Å; A285-F287 PolarHBondContact O-N 3.34Å; A285-L288 PolarHBondContact O-N 3.33Å; A285-L289 WeakPolarHBondContact O-CG 3.29Å; A285-L289 PolarHBondContact O-N 2.93Å
286S80Confident80.1Confident88 Ų8861.5 Ų61.562%0.61534%0.34SS*.Hα-helixtrans-65.2-35.4176.162.30000113E284 L289 E290E284-S286 PolarHBondContact O-N 3.22Å; E284-S286 VanDerWaalsContact O-N 3.12Å; S286-L289 PolarHBondContact O-N 3.11Å; S286-E290 PolarHBondContact O-N 3.25Å; S286-E290 VanDerWaalsContact O-N 3.14Å
287F82.6Confident80.2Confident5 Ų561.5 Ų61.52%0.02235%0.347CS..Hα-helixtrans-70.1-41.2177.8169.4-112.6000111.9A278 E284 A285 L289 E290 L291 I339 V340 H343A278-F287 HydrophobicContact CB-CD1 4.48Å; E284-F287 WeakPolarHBondContact O-CB 3.48Å; E284-F287 PolarHBondContact O-N 2.8Å; A285-F287 VanDerWaalsContact C-N 3.33Å; A285-F287 PolarHBondContact O-N 3.34Å; F287-L289 VanDerWaalsContact C-N 3.29Å; F287-L289 PolarHBondContact O-N 3.45Å; F287-E290 WeakPolarHBondContact O-CB 3.48Å; F287-E290 PolarHBondContact O-N 2.58Å; F287-E290 VanDerWaalsContact O-N 3.08Å; F287-L291 HydrophobicContact CD1-CD1 4.22Å; F287-L291 HydrophobicContact CD2-CG 4.41Å; F287-L291 HydrophobicContact CE1-CD1 3.52Å; F287-L291 HydrophobicContact CE1-CG 4.07Å; F287-L291 HydrophobicContact CE2-CD1 4.24Å; F287-L291 HydrophobicContact CE2-CD2 3.98Å; F287-L291 HydrophobicContact CE2-CG 3.91Å; F287-L291 HydrophobicContact CZ-CD1 3.53Å; F287-L291 HydrophobicContact CZ-CD2 3.89Å; F287-L291 HydrophobicContact CZ-CG 3.72Å; F287-L291 PolarHBondContact O-N 3.43Å; F287-I339 HydrophobicContact CE2-CG2 4.11Å; F287-V340 HydrophobicContact CZ-CB 4.46Å; F287-V340 HydrophobicContact CZ-CG2 3.96Å; F287-H343 WeakPolarHBondContact CB-NE2 3.35Å; F287-H343 AromaticContact CD1-CE1 3.89Å; F287-H343 AromaticContact CD1-CG 3.96Å; F287-H343 AromaticContact CD1-ND1 3.69Å; F287-H343 HydrophobicContact CD2-CB 3.92Å; F287-H343 AromaticContact CD2-CD2 3.29Å; F287-H343 WeakPolarHBondContact CD2-CD2 3.3Å; F287-H343 AromaticContact CD2-CG 3.44Å; F287-H343 VanDerWaalsContact CD2-CG 3.44Å; F287-H343 AromaticContact CD2-NE2 3.82Å; F287-H343 HydrophobicContact CE1-CB 4.33Å; F287-H343 AromaticContact CE1-ND1 3.97Å; F287-H343 HydrophobicContact CE2-CB 3.51Å; F287-H343 AromaticContact CE2-CD2 3.86Å; F287-H343 AromaticContact CE2-CG 3.57Å; F287-H343 HydrophobicContact CG-CB 4.47Å; F287-H343 AromaticContact CG-CD2 3.53Å; F287-H343 AromaticContact CG-CE1 3.65Å; F287-H343 AromaticContact CG-CG 3.63Å; F287-H343 AromaticContact CG-ND1 3.7Å; F287-H343 AromaticContact CG-NE2 3.57Å; F287-H343 HydrophobicContact CZ-CB 3.74Å; F287-H343 AromaticContact CZ-CG 3.88Å
288L81.6Confident80.5Confident32 Ų3263.3 Ų63.317%0.16835%0.346CS..Hα-helixtrans-61.7-39176-61.8176.3000111.9V275 T279 E284 A285 E290 L291 E292V275-L288 HydrophobicContact CG1-CD2 3.91Å; T279-L288 HydrophobicContact CG2-CD1 3.51Å; T279-L288 HydrophobicContact CG2-CD2 3.82Å; T279-L288 HydrophobicContact CG2-CG 4.32Å; E284-L288 PolarHBondContact O-N 3.15Å; A285-L288 PolarHBondContact O-N 3.33Å; L288-E290 VanDerWaalsContact C-N 3.32Å; L288-E290 PolarHBondContact O-N 3.23Å; L288-L291 PolarHBondContact O-N 3.24Å; L288-E292 WeakPolarHBondContact O-CB 3.28Å; L288-E292 PolarHBondContact O-N 3.42Å
289L83.2Confident80.8Confident113 Ų11363.4 Ų63.459%0.59235%0.346SS*.Hα-helixtrans-65.7-34.6173.9-69.6172.5000112.4A285 S286 F287 K293A285-L289 WeakPolarHBondContact O-CG 3.29Å; A285-L289 PolarHBondContact O-N 2.93Å; S286-L289 PolarHBondContact O-N 3.11Å; F287-L289 VanDerWaalsContact C-N 3.29Å; F287-L289 PolarHBondContact O-N 3.45Å; L289-K293 VanDerWaalsContact O-CB 3.28Å; L289-K293 WeakPolarHBondContact O-CB 3Å; L289-K293 PolarHBondContact O-N 2.91Å
290E83.8Confident81.2Confident105 Ų10564.9 Ų64.949%0.49136%0.355SS..Hα-helixtrans-67.8-42.9174-176.3172.3-169.300111.6S286 F287 L288 K293 N294S286-E290 PolarHBondContact O-N 3.25Å; S286-E290 VanDerWaalsContact O-N 3.14Å; F287-E290 WeakPolarHBondContact O-CB 3.48Å; F287-E290 PolarHBondContact O-N 2.58Å; F287-E290 VanDerWaalsContact O-N 3.08Å; L288-E290 VanDerWaalsContact C-N 3.32Å; L288-E290 PolarHBondContact O-N 3.23Å; E290-K293 PolarHBondContact O-N 3.07Å; E290-N294 WeakPolarHBondContact CG-ND2 3.45Å; E290-N294 VanDerWaalsContact O-CB 3.32Å; E290-N294 WeakPolarHBondContact O-CB 3.34Å; E290-N294 VanDerWaalsContact O-CG 3.27Å; E290-N294 PolarHBondContact O-N 3.22Å; E290-N294 PolarHBondContact O-ND2 3.26Å
291L83.9Confident81.7Confident3 Ų365.5 Ų65.52%0.01636%0.358CS..Hα-helixtrans-60.4-46.8173.8-72.4-176.8000111.5I196 V275 F287 L288 K293 N294 Y295 I339 V340I196-L291 HydrophobicContact CG2-CB 4.27Å; V275-L291 HydrophobicContact CG1-CD1 4.47Å; V275-L291 HydrophobicContact CG2-CD1 4.18Å; F287-L291 HydrophobicContact CD1-CD1 4.22Å; F287-L291 HydrophobicContact CD2-CG 4.41Å; F287-L291 HydrophobicContact CE1-CD1 3.52Å; F287-L291 HydrophobicContact CE1-CG 4.07Å; F287-L291 HydrophobicContact CE2-CD1 4.24Å; F287-L291 HydrophobicContact CE2-CD2 3.98Å; F287-L291 HydrophobicContact CE2-CG 3.91Å; F287-L291 HydrophobicContact CZ-CD1 3.53Å; F287-L291 HydrophobicContact CZ-CD2 3.89Å; F287-L291 HydrophobicContact CZ-CG 3.72Å; F287-L291 PolarHBondContact O-N 3.43Å; L288-L291 PolarHBondContact O-N 3.24Å; L291-K293 PolarHBondContact O-N 3.25Å; L291-N294 PolarHBondContact O-N 3.45Å; L291-Y295 HydrophobicContact CD2-CD2 3.86Å; L291-Y295 HydrophobicContact CD2-CE2 3.8Å; L291-Y295 WeakPolarHBondContact O-CB 3.29Å; L291-Y295 PolarHBondContact O-N 2.92Å; L291-I339 HydrophobicContact CD2-CG2 4.45Å; L291-V340 HydrophobicContact CD1-CG2 4.34Å; L291-V340 HydrophobicContact CD2-CG2 4.45Å
292E85.9Confident82.2Confident80 Ų8064 Ų6437%0.37435%0.35SS..Hα-helixtrans-57.6-51177-175.2-178.4174.900110.6I196 Y197 L288 N294 C296I196-E292 HydrophobicContact CG2-CB 4.24Å; Y197-E292 HydrophobicContact CE1-CB 4.49Å; Y197-E292 HydrophobicContact CE1-CG 4.33Å; L288-E292 WeakPolarHBondContact O-CB 3.28Å; L288-E292 PolarHBondContact O-N 3.42Å; E292-N294 PolarHBondContact O-N 2.77Å; E292-C296 WeakPolarHBondContact O-CB 2.79Å; E292-C296 PolarHBondContact O-N 3.3Å; E292-C296 VanDerWaalsContact O-N 3.07Å; E292-C296 PolarHBondContact O-SG 3.43Å
293K86.4Confident82.7Confident165 Ų16560.2 Ų60.272%0.71732%0.323SS*.Hα-helixtrans-62.9-40-177.7-174.7178.5178-174.90113.2L289 E290 L291 P297L289-K293 VanDerWaalsContact O-CB 3.28Å; L289-K293 WeakPolarHBondContact O-CB 3Å; L289-K293 PolarHBondContact O-N 2.91Å; E290-K293 PolarHBondContact O-N 3.07Å; L291-K293 PolarHBondContact O-N 3.25Å; K293-P297 WeakPolarHBondContact O-CD 3.4Å; K293-P297 WeakPolarHBondContact O-CG 3.35Å
294N85.9Confident83.1Confident71 Ų7159.6 Ų59.638%0.3832%0.316SS..Hα-helixtrans-85.3-34.7-173.5-68.3-18.5000112.8E290 L291 E292E290-N294 WeakPolarHBondContact CG-ND2 3.45Å; E290-N294 VanDerWaalsContact O-CB 3.32Å; E290-N294 WeakPolarHBondContact O-CB 3.34Å; E290-N294 VanDerWaalsContact O-CG 3.27Å; E290-N294 PolarHBondContact O-N 3.22Å; E290-N294 PolarHBondContact O-ND2 3.26Å; L291-N294 PolarHBondContact O-N 3.45Å; E292-N294 PolarHBondContact O-N 2.77Å
295Y88.1Confident83.2Confident9 Ų960.8 Ų60.84%0.03533%0.326CS..Hα-helixtrans-108.2-28.3-170-67-76.1000114.9L291 R298 F299 L332 D335 I336 I339L291-Y295 HydrophobicContact CD2-CD2 3.86Å; L291-Y295 HydrophobicContact CD2-CE2 3.8Å; L291-Y295 WeakPolarHBondContact O-CB 3.29Å; L291-Y295 PolarHBondContact O-N 2.92Å; Y295-R298 PolarHBondContact O-N 3.15Å; Y295-R298 VanDerWaalsContact O-N 3.08Å; Y295-F299 VanDerWaalsContact O-CD2 3.31Å; Y295-F299 WeakPolarHBondContact O-CD2 3.29Å; Y295-F299 PolarHBondContact O-N 3.1Å; Y295-L332 HydrophobicContact CD1-CD1 3.8Å; Y295-L332 HydrophobicContact CE1-CD1 4.13Å; Y295-D335 HydrophobicContact CE1-CB 4.29Å; Y295-D335 PolarHBondContact OH-O 2.99Å; Y295-I336 HydrophobicContact CD1-CD1 3.91Å; Y295-I336 HydrophobicContact CD1-CG1 3.46Å; Y295-I336 VanDerWaalsContact CD1-CG1 3.46Å; Y295-I336 HydrophobicContact CD2-CG1 4.09Å; Y295-I336 HydrophobicContact CE1-CB 4.49Å; Y295-I336 HydrophobicContact CE1-CD1 4.27Å; Y295-I336 HydrophobicContact CE1-CG1 3.35Å; Y295-I336 HydrophobicContact CE2-CG1 4.01Å; Y295-I336 HydrophobicContact CG-CD1 4.17Å; Y295-I336 HydrophobicContact CG-CG1 3.82Å; Y295-I339 HydrophobicContact CE2-CD1 4.08Å; Y295-I339 WeakPolarHBondContact OH-CD1 3.48Å; Y295-I339 WeakPolarHBondContact OH-CG1 3.25Å
296C86.1Confident83Confident35 Ų3559.5 Ų59.524%0.23631%0.311CS..Hα-helixtrans-51.5-48.4171.1-72.80000112.9E292 R298 F299 V300E292-C296 WeakPolarHBondContact O-CB 2.79Å; E292-C296 PolarHBondContact O-N 3.3Å; E292-C296 VanDerWaalsContact O-N 3.07Å; E292-C296 PolarHBondContact O-SG 3.43Å; C296-R298 VanDerWaalsContact C-N 3.32Å; C296-R298 PolarHBondContact O-N 3.27Å; C296-F299 PolarHBondContact O-N 3.21Å; C296-V300 WeakPolarHBondContact O-CG2 3.28Å; C296-V300 PolarHBondContact O-N 3.37Å
297P86.7Confident82.6Confident61 Ų6159.9 Ų59.940%0.39630%0.303SS..Hα-helixtrans-62.4-36.7177.323.2-33.3000112.6K293 V300 E301K293-P297 WeakPolarHBondContact O-CD 3.4Å; K293-P297 WeakPolarHBondContact O-CG 3.35Å; P297-V300 PolarHBondContact O-N 3.44Å; P297-E301 WeakPolarHBondContact O-CB 3.19Å; P297-E301 WeakPolarHBondContact O-CG 3.45Å; P297-E301 PolarHBondContact O-N 2.8Å
298R84.7Confident81.9Confident86 Ų8666.9 Ų66.933%0.32533%0.334SS..Hα-helixtrans-66.1-38.1176.8-67.4-177.171.2-173.2-1.9112.3Y295 C296 E301 L302 L332 D335Y295-R298 PolarHBondContact O-N 3.15Å; Y295-R298 VanDerWaalsContact O-N 3.08Å; C296-R298 VanDerWaalsContact C-N 3.32Å; C296-R298 PolarHBondContact O-N 3.27Å; R298-E301 PolarHBondContact O-N 3.24Å; R298-L302 WeakPolarHBondContact O-CG 3.37Å; R298-L302 PolarHBondContact O-N 3.46Å; R298-L332 HydrophobicContact CB-CD1 3.91Å; R298-D335 IonicContact CZ-OD2 3.6Å; R298-D335 VanDerWaalsContact CZ-OD2 3.31Å; R298-D335 IonicContact NH1-OD2 2.91Å; R298-D335 PolarHBondContact NH1-OD2 3.4Å; R298-D335 IonicContact NH2-OD2 3.4Å; R298-D335 PolarHBondContact NH2-OD2 3.19Å
299F84.5Confident80.8Confident6 Ų667.6 Ų67.63%0.02634%0.338CS..Hα-helixtrans-66.2-40.9172.4-83.5-77.2000111.7L188 L191 L195 I196 Y295 C296 E301 L302 L303 L332 I336L188-F299 HydrophobicContact CD2-CE1 4.5Å; L191-F299 HydrophobicContact CD2-CE1 4.31Å; L191-F299 HydrophobicContact CG-CE1 4.45Å; L195-F299 HydrophobicContact CD1-CZ 4.33Å; I196-F299 HydrophobicContact CD1-CD2 3.83Å; I196-F299 HydrophobicContact CD1-CE2 3.96Å; I196-F299 HydrophobicContact CG1-CE2 4.3Å; Y295-F299 VanDerWaalsContact O-CD2 3.31Å; Y295-F299 WeakPolarHBondContact O-CD2 3.29Å; Y295-F299 PolarHBondContact O-N 3.1Å; C296-F299 PolarHBondContact O-N 3.21Å; F299-E301 VanDerWaalsContact C-N 3.34Å; F299-E301 PolarHBondContact O-N 2.84Å; F299-L302 PolarHBondContact O-N 3.08Å; F299-L303 WeakPolarHBondContact O-CB 3.49Å; F299-L303 WeakPolarHBondContact O-CD1 3.29Å; F299-L303 VanDerWaalsContact O-CG 3.27Å; F299-L303 WeakPolarHBondContact O-CG 3.46Å; F299-L303 PolarHBondContact O-N 3.09Å; F299-L332 HydrophobicContact CD1-CD2 3.97Å; F299-L332 HydrophobicContact CD2-CD2 4.07Å; F299-L332 HydrophobicContact CE1-CD2 3.71Å; F299-L332 HydrophobicContact CE2-CD2 3.83Å; F299-L332 HydrophobicContact CG-CD2 4.14Å; F299-L332 HydrophobicContact CZ-CD2 3.64Å; F299-L332 HydrophobicContact CZ-CG 4.46Å; F299-I336 HydrophobicContact CE2-CD1 3.77Å; F299-I336 HydrophobicContact CZ-CD1 4.03Å
300V85.5Confident79.5Confident82 Ų8263.2 Ų63.250%0.49732%0.316SS..Hα-helixtrans-63.3-39.5174.4174.30000111.4C296 P297 L303 T304C296-V300 WeakPolarHBondContact O-CG2 3.28Å; C296-V300 PolarHBondContact O-N 3.37Å; P297-V300 PolarHBondContact O-N 3.44Å; V300-L303 PolarHBondContact O-N 2.87Å; V300-T304 HydrophobicContact CG1-CG2 4.31Å; V300-T304 WeakPolarHBondContact O-CB 3.3Å; V300-T304 VanDerWaalsContact O-CG2 3.31Å; V300-T304 WeakPolarHBondContact O-CG2 3.41Å; V300-T304 PolarHBondContact O-N 2.95Å; V300-T304 PolarHBondContact O-OG1 3.35Å
301E84.1Confident77.9Confident126 Ų12664.7 Ų64.759%0.58933%0.327SS*.Hα-helixtrans-62.3-41173-76.1174.8-170.100112.1P297 R298 F299 T304 C305P297-E301 WeakPolarHBondContact O-CB 3.19Å; P297-E301 WeakPolarHBondContact O-CG 3.45Å; P297-E301 PolarHBondContact O-N 2.8Å; R298-E301 PolarHBondContact O-N 3.24Å; F299-E301 VanDerWaalsContact C-N 3.34Å; F299-E301 PolarHBondContact O-N 2.84Å; E301-T304 WeakPolarHBondContact CA-OG1 3.43Å; E301-T304 PolarHBondContact O-OG1 3.15Å; E301-C305 WeakPolarHBondContact O-CB 3.49Å; E301-C305 PolarHBondContact O-N 3.42Å
302L80.9Confident76.2Confident30 Ų3065.9 Ų65.916%0.15734%0.34CS..Hα-helixtrans-65.1-42.5174.3-72.6179.2000111.9L188 R298 F299 C305 L306 K328 L332L188-L302 HydrophobicContact CD1-CB 4.29Å; R298-L302 WeakPolarHBondContact O-CG 3.37Å; R298-L302 PolarHBondContact O-N 3.46Å; F299-L302 PolarHBondContact O-N 3.08Å; L302-C305 PolarHBondContact O-N 2.94Å; L302-L306 WeakPolarHBondContact O-CG 3.31Å; L302-L306 PolarHBondContact O-N 3.47Å; L302-K328 HydrophobicContact CD2-CB 4.06Å; L302-K328 HydrophobicContact CD2-CD 4.34Å; L302-L332 HydrophobicContact CD1-CD2 3.55Å
303L80.8Confident74.1Confident40 Ų4069.9 Ų69.921%0.20936%0.364CS..Hα-helixtrans-61-48.3176-73.1159.8000111.1Q185 L188 F299 V300 C305 L306 E307Q185-L303 HydrophobicContact CB-CD2 3.9Å; Q185-L303 HydrophobicContact CG-CD2 3.76Å; L188-L303 HydrophobicContact CB-CD2 4.1Å; L188-L303 HydrophobicContact CD1-CD2 4.07Å; L188-L303 HydrophobicContact CD1-CG 4.27Å; F299-L303 WeakPolarHBondContact O-CB 3.49Å; F299-L303 WeakPolarHBondContact O-CD1 3.29Å; F299-L303 VanDerWaalsContact O-CG 3.27Å; F299-L303 WeakPolarHBondContact O-CG 3.46Å; F299-L303 PolarHBondContact O-N 3.09Å; V300-L303 PolarHBondContact O-N 2.87Å; L303-C305 VanDerWaalsContact C-N 3.34Å; L303-C305 PolarHBondContact O-N 3.37Å; L303-L306 WeakPolarHBondContact O-CB 3.44Å; L303-L306 PolarHBondContact O-N 2.9Å; L303-E307 WeakPolarHBondContact O-CG 3.36Å; L303-E307 PolarHBondContact O-N 3.31Å
304T80.4Confident72.1Confident48 Ų4870 Ų7029%0.29437%0.367SS..Hα-helixtrans-69.2-29.6177.756.90000113V300 E301 E307 K308V300-T304 HydrophobicContact CG1-CG2 4.31Å; V300-T304 WeakPolarHBondContact O-CB 3.3Å; V300-T304 VanDerWaalsContact O-CG2 3.31Å; V300-T304 WeakPolarHBondContact O-CG2 3.41Å; V300-T304 PolarHBondContact O-N 2.95Å; V300-T304 PolarHBondContact O-OG1 3.35Å; E301-T304 WeakPolarHBondContact CA-OG1 3.43Å; E301-T304 PolarHBondContact O-OG1 3.15Å; T304-E307 PolarHBondContact O-N 3.38Å; T304-K308 WeakPolarHBondContact O-CB 3.46Å; T304-K308 VanDerWaalsContact O-CG 3.32Å; T304-K308 WeakPolarHBondContact O-CG 3.38Å; T304-K308 PolarHBondContact O-N 3.36Å
305C75.7Confident70.2Confident37 Ų3770.2 Ų70.225%0.2536%0.362CS..Hα-helixtrans-69.1-39.1172.8-1750000111.2E301 L302 L303 E307 N309E301-C305 WeakPolarHBondContact O-CB 3.49Å; E301-C305 PolarHBondContact O-N 3.42Å; L302-C305 PolarHBondContact O-N 2.94Å; L303-C305 VanDerWaalsContact C-N 3.34Å; L303-C305 PolarHBondContact O-N 3.37Å; C305-E307 VanDerWaalsContact C-N 3.33Å; C305-N309 VanDerWaalsContact O-CB 3.22Å; C305-N309 WeakPolarHBondContact O-CB 3.46Å; C305-N309 PolarHBondContact O-N 3.45Å; C305-N309 PolarHBondContact O-ND2 3.2Å; C305-N309 VanDerWaalsContact O-ND2 3.17Å; C305-N309 PolarHBondContact SG-ND2 3.47Å
306L72.5Confident67.9Low28 Ų2878.3 Ų78.315%0.14740%0.404CS..Hα-helixtrans-63.5-38.4173.4-75.5170.2000112S181 M184 L188 L302 L303S181-L306 PolarHBondContact OG-O 2.98Å; M184-L306 HydrophobicContact CB-CD1 3.96Å; L188-L306 HydrophobicContact CD1-CD1 3.42Å; L188-L306 VanDerWaalsContact CD1-CD1 3.42Å; L302-L306 WeakPolarHBondContact O-CG 3.31Å; L302-L306 PolarHBondContact O-N 3.47Å; L303-L306 WeakPolarHBondContact O-CB 3.44Å; L303-L306 PolarHBondContact O-N 2.9Å
307E70.9Confident65.8Low96 Ų9680.3 Ų80.345%0.44943%0.43SS..Hα-helixtrans-67.2-52.9173.1-70.1173.8172.600111.7Q185 L303 T304 C305 N309 S310Q185-E307 VanDerWaalsContact NE2-CG 3.3Å; Q185-E307 PolarHBondContact NE2-OE1 3.29Å; L303-E307 WeakPolarHBondContact O-CG 3.36Å; L303-E307 PolarHBondContact O-N 3.31Å; T304-E307 PolarHBondContact O-N 3.38Å; C305-E307 VanDerWaalsContact C-N 3.33Å; E307-N309 PolarHBondContact O-N 2.82Å; E307-S310 WeakPolarHBondContact O-CB 3.4Å; E307-S310 PolarHBondContact O-N 3.02Å; E307-S310 PolarHBondContact O-OG 2.88Å
308K69Low64Low152 Ų15280.8 Ų80.866%0.66143%0.427SS*.Hα-helixtrans-62.6-31.1-178.5-72.2173.6-177.7174.40113.3T304 S310 D311T304-K308 WeakPolarHBondContact O-CB 3.46Å; T304-K308 VanDerWaalsContact O-CG 3.32Å; T304-K308 WeakPolarHBondContact O-CG 3.38Å; T304-K308 PolarHBondContact O-N 3.36Å; K308-S310 PolarHBondContact O-N 3.46Å; K308-D311 PolarHBondContact O-N 2.89Å
309N57.5Low62.3Low47 Ų4781.2 Ų81.225%0.25144%0.439SS..THydrogen-bonded Turntrans-71.1-14.5177.3-73-17.5000113.1Q177 C305 E307 D311Q177-N309 PolarHBondContact NE2-O 3.01Å; Q177-N309 VanDerWaalsContact NE2-O 3.12Å; C305-N309 VanDerWaalsContact O-CB 3.22Å; C305-N309 WeakPolarHBondContact O-CB 3.46Å; C305-N309 PolarHBondContact O-N 3.45Å; C305-N309 PolarHBondContact O-ND2 3.2Å; C305-N309 VanDerWaalsContact O-ND2 3.17Å; C305-N309 PolarHBondContact SG-ND2 3.47Å; E307-N309 PolarHBondContact O-N 2.82Å; N309-D311 VanDerWaalsContact C-N 3.28Å
310S56Low60.6Low20 Ų2082.8 Ų82.814%0.1445%0.446CS..THydrogen-bonded Turntrans-71.6-24.4171.467.60000112.8E307 K308E307-S310 WeakPolarHBondContact O-CB 3.4Å; E307-S310 PolarHBondContact O-N 3.02Å; E307-S310 PolarHBondContact O-OG 2.88Å; K308-S310 PolarHBondContact O-N 3.46Å
311D50.5Low59.1Low136 Ų13683 Ų8373%0.72745%0.451SS*.SBendtrans-99.6-0.4-168.7-62.4-3.5000113.3K308 N309K308-D311 PolarHBondContact O-N 2.89Å; N309-D311 VanDerWaalsContact C-N 3.28Å
312G49.1Very low57.8Low28 Ų2880.9 Ų80.929%0.28944%0.444SS..  trans-109.5125.9-168.500000116.3Q314G312-Q314 PolarHBondContact O-N 2.88Å
313L41.5Very low56.5Low164 Ų16480.5 Ų80.586%0.85944%0.441SS*.  trans-60.310.1176-107.5111.6000117.1W315L313-W315 PolarHBondContact O-N 3.03Å
314Q43.4Very low55.7Low168 Ų16879.1 Ų79.179%0.78543%0.434SS*.  trans-94.541.3-163-133.2173.851.700114.8G312G312-Q314 PolarHBondContact O-N 2.88Å
315W46Very low55.2Low76 Ų7679.4 Ų79.429%0.28843%0.434SS..  trans-149.570.9-174-55.3107.6000116.7L313 K318L313-W315 PolarHBondContact O-N 3.03Å; W315-K318 HydrophobicContact CD2-CD 4.47Å; W315-K318 HydrophobicContact CE3-CD 3.42Å; W315-K318 VanDerWaalsContact CE3-CD 3.42Å; W315-K318 HydrophobicContact CE3-CG 3.95Å; W315-K318 HydrophobicContact CH2-CD 4.16Å; W315-K318 HydrophobicContact CZ3-CD 3.31Å; W315-K318 HydrophobicContact CZ3-CG 4.23Å
316I39.5Very low55.1Low179 Ų17979.6 Ų79.692%0.91843%0.431SS*.SBendtrans-84.9-10.1170.1-71.1169.7000113.3
317G43.7Very low55.4Low76 Ų7684.8 Ų84.878%0.78446%0.458SS*.SBendtrans-121.7-2.7-166.700000119.5
318K47.3Very low55.9Low72 Ų7284.6 Ų84.631%0.31346%0.456SS..  trans-101.7139.7-170.8-72.8-167.5176.3175.80113.4R173 W315 N322R173-K318 VanDerWaalsContact CZ-O 3.32Å; R173-K318 PolarHBondContact NH1-O 2.9Å; R173-K318 VanDerWaalsContact NH1-O 3.17Å; R173-K318 PolarHBondContact NH2-O 3.3Å; W315-K318 HydrophobicContact CD2-CD 4.47Å; W315-K318 HydrophobicContact CE3-CD 3.42Å; W315-K318 VanDerWaalsContact CE3-CD 3.42Å; W315-K318 HydrophobicContact CE3-CG 3.95Å; W315-K318 HydrophobicContact CH2-CD 4.16Å; W315-K318 HydrophobicContact CZ3-CD 3.31Å; W315-K318 HydrophobicContact CZ3-CG 4.23Å; K318-N322 HydrophobicContact CB-CB 4.09Å; K318-N322 HydrophobicContact CD-CB 3.94Å; K318-N322 HydrophobicContact CG-CB 4.37Å
319T49.7Very low56.6Low94 Ų9477.9 Ų77.958%0.57743%0.427SS*.  trans-70.8157.4171.7-460000111.4S321 N322T319-S321 PolarHBondContact O-N 3.46Å; T319-S321 VanDerWaalsContact O-N 3.12Å; T319-N322 PolarHBondContact O-N 3.04Å
320F49.5Very low57.9Low40 Ų4076.6 Ų76.618%0.17542%0.422CS..G310 helixtrans-51.7-31.5177.8-74.4-82.9000114.1L162 A165 P166 P167 N322 L323L162-F320 HydrophobicContact CD2-CB 4.44Å; A165-F320 HydrophobicContact CB-CD1 3.97Å; A165-F320 HydrophobicContact CB-CE1 3.43Å; A165-F320 VanDerWaalsContact CB-CE1 3.43Å; A165-F320 HydrophobicContact CB-CE2 4.43Å; A165-F320 HydrophobicContact CB-CZ 3.7Å; P166-F320 WeakPolarHBondContact O-CZ 3.36Å; P167-F320 HydrophobicContact CB-CE2 4.44Å; F320-N322 PolarHBondContact O-N 3.33Å; F320-L323 HydrophobicContact CB-CD1 4.25Å; F320-L323 HydrophobicContact CD1-CD1 3.51Å; F320-L323 HydrophobicContact CE1-CD1 4.29Å; F320-L323 HydrophobicContact CG-CD1 4.29Å; F320-L323 WeakPolarHBondContact O-CB 3.34Å; F320-L323 WeakPolarHBondContact O-CG 3.49Å; F320-L323 PolarHBondContact O-N 3.11Å; F320-L323 VanDerWaalsContact O-N 3.15Å
321S52.2Low59.4Low87 Ų8778.2 Ų78.261%0.60843%0.433SS*.G310 helixtrans-62.9-22.4174.851.90000114.2T319T319-S321 PolarHBondContact O-N 3.46Å; T319-S321 VanDerWaalsContact O-N 3.12Å
322N56.8Low61Low81 Ų8172 Ų7243%0.43340%0.4SS..G310 helixtrans-97.78.2177.7-63.2-14000112.9K318 T319 F320K318-N322 HydrophobicContact CB-CB 4.09Å; K318-N322 HydrophobicContact CD-CB 3.94Å; K318-N322 HydrophobicContact CG-CB 4.37Å; T319-N322 PolarHBondContact O-N 3.04Å; F320-N322 PolarHBondContact O-N 3.33Å
323L55.3Low62.9Low21 Ų2170.7 Ų70.711%0.1139%0.386CS..SBendtrans-67.3-30.3173.8-73.1171.2000111.6L162 Q177 F320L162-L323 HydrophobicContact CD2-CD1 4.39Å; Q177-L323 HydrophobicContact CB-CD2 4.27Å; Q177-L323 HydrophobicContact CG-CD2 3.98Å; F320-L323 HydrophobicContact CB-CD1 4.25Å; F320-L323 HydrophobicContact CD1-CD1 3.51Å; F320-L323 HydrophobicContact CE1-CD1 4.29Å; F320-L323 HydrophobicContact CG-CD1 4.29Å; F320-L323 WeakPolarHBondContact O-CB 3.34Å; F320-L323 WeakPolarHBondContact O-CG 3.49Å; F320-L323 PolarHBondContact O-N 3.11Å; F320-L323 VanDerWaalsContact O-N 3.15Å
324I64Low65.1Low12 Ų1265 Ų656%0.06236%0.36CS..SBendtrans-106.9117.7175.6-56.3152.1000105.8V180 M184 F326 I329V180-I324 HydrophobicContact CG1-CD1 3.88Å; V180-I324 HydrophobicContact CG1-CG1 3.94Å; M184-I324 HydrophobicContact CE-CD1 3.39Å; M184-I324 HydrophobicContact CE-CG1 4.19Å; M184-I324 HydrophobicContact CG-CD1 4.37Å; M184-I324 HydrophobicContact CG-CG1 4.23Å; M184-I324 HydrophobicContact SD-CD1 3.96Å; M184-I324 HydrophobicContact SD-CG1 4.15Å; M184-I324 HydrophobicContact SD-CG2 4.06Å; I324-F326 PolarHBondContact O-N 3.34Å; I324-I329 HydrophobicContact CG2-CD1 3.95Å
325D69.6Low67.2Low53 Ų5360 Ų6028%0.28334%0.339SS..  trans-69.972.3172.8-79-25.9000109.3N327 K328 I329D325-N327 PolarHBondContact O-N 3.25Å; D325-N327 VanDerWaalsContact O-N 3.11Å; D325-K328 HydrophobicContact CB-CB 4.23Å; D325-K328 HydrophobicContact CB-CD 3.83Å; D325-K328 HydrophobicContact CB-CG 4.03Å; D325-K328 PolarHBondContact O-N 2.91Å; D325-K328 VanDerWaalsContact OD2-CE 3.31Å; D325-K328 WeakPolarHBondContact OD2-CE 3.33Å; D325-K328 IonicContact OD2-NZ 3.14Å; D325-K328 PolarHBondContact OD2-NZ 2.82Å; D325-I329 PolarHBondContact O-N 3.49Å
326F72.4Confident69.2Low42 Ų4256.4 Ų56.418%0.18433%0.325CS..Hα-helixtrans-55.5-31.8179.5176.6-101.5000111.5L260 P261 F264 I324 K328 I329 S330L260-F326 HydrophobicContact CD2-CD2 3.79Å; L260-F326 HydrophobicContact CD2-CE2 3.41Å; L260-F326 VanDerWaalsContact CD2-CE2 3.41Å; L260-F326 HydrophobicContact CD2-CZ 4.46Å; P261-F326 HydrophobicContact CG-CE1 4.35Å; P261-F326 HydrophobicContact CG-CZ 4.27Å; F264-F326 HydrophobicContact CB-CZ 4.05Å; F264-F326 HydrophobicContact CD1-CE2 4.3Å; F264-F326 AromaticContact CD2-CE2 3.97Å; F264-F326 HydrophobicContact CD2-CE2 3.97Å; F264-F326 AromaticContact CD2-CZ 3.78Å; F264-F326 HydrophobicContact CD2-CZ 3.78Å; F264-F326 HydrophobicContact CE2-CE2 4.19Å; F264-F326 HydrophobicContact CE2-CZ 4.38Å; F264-F326 HydrophobicContact CG-CE2 4.03Å; F264-F326 AromaticContact CG-CZ 3.88Å; F264-F326 HydrophobicContact CG-CZ 3.88Å; F264-F326 HydrophobicContact CZ-CE2 4.45Å; I324-F326 PolarHBondContact O-N 3.34Å; F326-K328 VanDerWaalsContact C-N 3.3Å; F326-K328 PolarHBondContact O-N 3.26Å; F326-I329 PolarHBondContact O-N 3Å; F326-S330 VanDerWaalsContact O-CB 3.28Å; F326-S330 WeakPolarHBondContact O-CB 3.47Å; F326-S330 PolarHBondContact O-N 3.36Å
327N79.2Confident71.5Confident136 Ų13649.4 Ų49.473%0.72729%0.288SS*.Hα-helixtrans-59.9-38.4176.2-67-18.1000112.6D325 S331D325-N327 PolarHBondContact O-N 3.25Å; D325-N327 VanDerWaalsContact O-N 3.11Å; N327-S331 VanDerWaalsContact O-CB 3.29Å; N327-S331 WeakPolarHBondContact O-CB 3.47Å; N327-S331 PolarHBondContact O-N 3.42Å; N327-S331 PolarHBondContact O-OG 3.33Å
328K82.1Confident73.6Confident93 Ų9349.2 Ų49.240%0.40428%0.275SS..Hα-helixtrans-68-46.4177.2-71.5178.1-179.9158.50110.8L302 D325 F326 S331 L332L302-K328 HydrophobicContact CD2-CB 4.06Å; L302-K328 HydrophobicContact CD2-CD 4.34Å; D325-K328 HydrophobicContact CB-CB 4.23Å; D325-K328 HydrophobicContact CB-CD 3.83Å; D325-K328 HydrophobicContact CB-CG 4.03Å; D325-K328 PolarHBondContact O-N 2.91Å; D325-K328 VanDerWaalsContact OD2-CE 3.31Å; D325-K328 WeakPolarHBondContact OD2-CE 3.33Å; D325-K328 IonicContact OD2-NZ 3.14Å; D325-K328 PolarHBondContact OD2-NZ 2.82Å; F326-K328 VanDerWaalsContact C-N 3.3Å; F326-K328 PolarHBondContact O-N 3.26Å; K328-S331 WeakPolarHBondContact CA-OG 3.44Å; K328-S331 PolarHBondContact O-N 3.2Å; K328-S331 PolarHBondContact O-OG 3.46Å; K328-L332 PolarHBondContact O-N 3.28Å
329I83.4Confident75.5Confident11 Ų1148.9 Ų48.96%0.05628%0.276CS..Hα-helixtrans-61.5-48.5177.1-59.3173.8000110L188 L191 F264 I324 D325 F326 S331 L332 V333L188-I329 HydrophobicContact CD2-CD1 4.05Å; L188-I329 HydrophobicContact CD2-CG1 4.23Å; L188-I329 HydrophobicContact CD2-CG2 4.44Å; L191-I329 HydrophobicContact CD2-CG2 3.99Å; F264-I329 HydrophobicContact CE2-CG2 4.42Å; F264-I329 HydrophobicContact CZ-CG2 4.09Å; I324-I329 HydrophobicContact CG2-CD1 3.95Å; D325-I329 PolarHBondContact O-N 3.49Å; F326-I329 PolarHBondContact O-N 3Å; I329-S331 VanDerWaalsContact C-N 3.33Å; I329-S331 PolarHBondContact O-N 3.12Å; I329-L332 WeakPolarHBondContact O-CB 3.48Å; I329-L332 PolarHBondContact O-N 2.9Å; I329-V333 WeakPolarHBondContact O-CG2 3.47Å; I329-V333 PolarHBondContact O-N 3Å
330S84.8Confident77.2Confident19 Ų1944.5 Ų44.513%0.13325%0.249CC..Hα-helixtrans-61.1-40.8177.7-177.50000111.8F326 V333 C334F326-S330 VanDerWaalsContact O-CB 3.28Å; F326-S330 WeakPolarHBondContact O-CB 3.47Å; F326-S330 PolarHBondContact O-N 3.36Å; S330-V333 PolarHBondContact O-N 3.21Å; S330-C334 PolarHBondContact O-N 3.45Å; S330-C334 PolarHBondContact O-SG 3.06Å
331S86.4Confident78.9Confident55 Ų5544.2 Ų44.239%0.38525%0.252SS..Hα-helixtrans-64-42.3176.166.90000111.8N327 K328 I329 V333 C334 D335N327-S331 VanDerWaalsContact O-CB 3.29Å; N327-S331 WeakPolarHBondContact O-CB 3.47Å; N327-S331 PolarHBondContact O-N 3.42Å; N327-S331 PolarHBondContact O-OG 3.33Å; K328-S331 WeakPolarHBondContact CA-OG 3.44Å; K328-S331 PolarHBondContact O-N 3.2Å; K328-S331 PolarHBondContact O-OG 3.46Å; I329-S331 VanDerWaalsContact C-N 3.33Å; I329-S331 PolarHBondContact O-N 3.12Å; S331-V333 PolarHBondContact O-N 3.04Å; S331-C334 WeakPolarHBondContact O-CB 3.39Å; S331-C334 PolarHBondContact O-N 2.78Å; S331-C334 VanDerWaalsContact O-N 3.15Å; S331-D335 PolarHBondContact O-N 3.17Å
332L85.9Confident80.5Confident4 Ų445.1 Ų45.12%0.02124%0.243CC..Hα-helixtrans-61.4-44.5176.6-175.669.4000111.4Y295 R298 F299 L302 K328 I329 C334 D335 I336Y295-L332 HydrophobicContact CD1-CD1 3.8Å; Y295-L332 HydrophobicContact CE1-CD1 4.13Å; R298-L332 HydrophobicContact CB-CD1 3.91Å; F299-L332 HydrophobicContact CD1-CD2 3.97Å; F299-L332 HydrophobicContact CD2-CD2 4.07Å; F299-L332 HydrophobicContact CE1-CD2 3.71Å; F299-L332 HydrophobicContact CE2-CD2 3.83Å; F299-L332 HydrophobicContact CG-CD2 4.14Å; F299-L332 HydrophobicContact CZ-CD2 3.64Å; F299-L332 HydrophobicContact CZ-CG 4.46Å; L302-L332 HydrophobicContact CD1-CD2 3.55Å; K328-L332 PolarHBondContact O-N 3.28Å; I329-L332 WeakPolarHBondContact O-CB 3.48Å; I329-L332 PolarHBondContact O-N 2.9Å; L332-C334 VanDerWaalsContact C-N 3.32Å; L332-C334 PolarHBondContact O-N 3.48Å; L332-D335 PolarHBondContact O-N 2.81Å; L332-I336 HydrophobicContact CG-CD1 4.05Å; L332-I336 VanDerWaalsContact O-CG1 3.28Å; L332-I336 WeakPolarHBondContact O-CG1 3.48Å; L332-I336 PolarHBondContact O-N 3.5Å
333V87.9Confident81.8Confident1 Ų143 Ų431%0.00623%0.23CC..Hα-helixtrans-64.3-37.6176.1175.50000111.3L191 L195 F264 V268 I329 S330 S331 Q337L191-V333 HydrophobicContact CD2-CG2 4.26Å; L195-V333 HydrophobicContact CD1-CG1 4.45Å; L195-V333 HydrophobicContact CD1-CG2 3.75Å; F264-V333 HydrophobicContact CE2-CB 3.92Å; F264-V333 HydrophobicContact CE2-CG1 4.12Å; F264-V333 HydrophobicContact CE2-CG2 3.66Å; F264-V333 HydrophobicContact CZ-CG2 3.85Å; V268-V333 HydrophobicContact CG2-CG1 3.89Å; V268-V333 HydrophobicContact CG2-CG2 4.47Å; I329-V333 WeakPolarHBondContact O-CG2 3.47Å; I329-V333 PolarHBondContact O-N 3Å; S330-V333 PolarHBondContact O-N 3.21Å; S331-V333 PolarHBondContact O-N 3.04Å; V333-Q337 WeakPolarHBondContact O-CB 3.31Å; V333-Q337 PolarHBondContact O-N 3.35Å
334C87Confident83Confident45 Ų4542.9 Ų42.930%0.30423%0.231SC..Hα-helixtrans-65.2-42.6174.7-65.30000111.9R267 S330 S331 L332 Q337 S338R267-C334 PolarHBondContact NH1-SG 2.97Å; S330-C334 PolarHBondContact O-N 3.45Å; S330-C334 PolarHBondContact O-SG 3.06Å; S331-C334 WeakPolarHBondContact O-CB 3.39Å; S331-C334 PolarHBondContact O-N 2.78Å; S331-C334 VanDerWaalsContact O-N 3.15Å; L332-C334 VanDerWaalsContact C-N 3.32Å; L332-C334 PolarHBondContact O-N 3.48Å; C334-Q337 PolarHBondContact O-N 3.43Å; C334-S338 WeakPolarHBondContact O-CB 3.42Å; C334-S338 PolarHBondContact O-N 3.24Å
335D88.2Confident83.9Confident63 Ų6343.7 Ų43.734%0.33723%0.233SC..Hα-helixtrans-60.8-49.1176.9-63.9-14.6000110.2Y295 R298 S331 L332 Q337 S338 I339Y295-D335 HydrophobicContact CE1-CB 4.29Å; Y295-D335 PolarHBondContact OH-O 2.99Å; R298-D335 IonicContact CZ-OD2 3.6Å; R298-D335 VanDerWaalsContact CZ-OD2 3.31Å; R298-D335 IonicContact NH1-OD2 2.91Å; R298-D335 PolarHBondContact NH1-OD2 3.4Å; R298-D335 IonicContact NH2-OD2 3.4Å; R298-D335 PolarHBondContact NH2-OD2 3.19Å; S331-D335 PolarHBondContact O-N 3.17Å; L332-D335 PolarHBondContact O-N 2.81Å; D335-Q337 PolarHBondContact O-N 2.82Å; D335-S338 PolarHBondContact O-N 3.2Å; D335-I339 PolarHBondContact O-N 3.43Å; D335-I339 VanDerWaalsContact O-N 3.09Å
336I88.4Confident84.4Confident0 Ų041.9 Ų41.90%023%0.225CC..Hα-helixtrans-61.3-46.6178-64.8165.7000110L195 T271 Y295 F299 L332 S338 I339 V340L195-I336 HydrophobicContact CB-CD1 4.36Å; L195-I336 HydrophobicContact CB-CG2 4.43Å; L195-I336 HydrophobicContact CD1-CD1 4.17Å; T271-I336 HydrophobicContact CG2-CG2 3.97Å; Y295-I336 HydrophobicContact CD1-CD1 3.91Å; Y295-I336 HydrophobicContact CD1-CG1 3.46Å; Y295-I336 VanDerWaalsContact CD1-CG1 3.46Å; Y295-I336 HydrophobicContact CD2-CG1 4.09Å; Y295-I336 HydrophobicContact CE1-CB 4.49Å; Y295-I336 HydrophobicContact CE1-CD1 4.27Å; Y295-I336 HydrophobicContact CE1-CG1 3.35Å; Y295-I336 HydrophobicContact CE2-CG1 4.01Å; Y295-I336 HydrophobicContact CG-CD1 4.17Å; Y295-I336 HydrophobicContact CG-CG1 3.82Å; F299-I336 HydrophobicContact CE2-CD1 3.77Å; F299-I336 HydrophobicContact CZ-CD1 4.03Å; L332-I336 HydrophobicContact CG-CD1 4.05Å; L332-I336 VanDerWaalsContact O-CG1 3.28Å; L332-I336 WeakPolarHBondContact O-CG1 3.48Å; L332-I336 PolarHBondContact O-N 3.5Å; I336-S338 VanDerWaalsContact C-N 3.28Å; I336-S338 PolarHBondContact O-N 3.45Å; I336-I339 PolarHBondContact O-N 2.84Å; I336-V340 HydrophobicContact CG2-CG2 3.88Å; I336-V340 WeakPolarHBondContact O-CB 3.26Å; I336-V340 WeakPolarHBondContact O-CG2 3.49Å; I336-V340 PolarHBondContact O-N 3.18Å
337Q88.7Confident84.8Confident32 Ų3240.2 Ų40.215%0.1522%0.218CC..Hα-helixtrans-57.8-42.1178-178.6-179.69.900111.6R267 T271 V333 C334 D335 S341R267-Q337 VanDerWaalsContact CD-OE1 3.3Å; T271-Q337 HydrophobicContact CG2-CB 4.36Å; T271-Q337 WeakPolarHBondContact OG1-CB 3.47Å; T271-Q337 WeakPolarHBondContact OG1-CG 3.47Å; V333-Q337 WeakPolarHBondContact O-CB 3.31Å; V333-Q337 PolarHBondContact O-N 3.35Å; C334-Q337 PolarHBondContact O-N 3.43Å; D335-Q337 PolarHBondContact O-N 2.82Å; Q337-S341 WeakPolarHBondContact O-CB 3.49Å; Q337-S341 PolarHBondContact O-N 2.96Å; Q337-S341 PolarHBondContact O-OG 3.44Å
338S86.4Confident84.8Confident72 Ų7234.2 Ų34.250%0.50319%0.186SC..Hα-helixtrans-63.1-46.8178.6-178.50000111.4C334 D335 I336 S341 Y342C334-S338 WeakPolarHBondContact O-CB 3.42Å; C334-S338 PolarHBondContact O-N 3.24Å; D335-S338 PolarHBondContact O-N 3.2Å; I336-S338 VanDerWaalsContact C-N 3.28Å; I336-S338 PolarHBondContact O-N 3.45Å; S338-S341 PolarHBondContact O-N 2.9Å; S338-Y342 WeakPolarHBondContact O-CB 3.28Å; S338-Y342 PolarHBondContact O-N 2.82Å
339I86.7Confident84.5Confident66 Ų6630.8 Ų30.834%0.33817%0.172SC..Hα-helixtrans-65.6-46.9177.9-62.9-163.6000111.4F287 L291 Y295 D335 I336 S341 Y342 H343F287-I339 HydrophobicContact CE2-CG2 4.11Å; L291-I339 HydrophobicContact CD2-CG2 4.45Å; Y295-I339 HydrophobicContact CE2-CD1 4.08Å; Y295-I339 WeakPolarHBondContact OH-CD1 3.48Å; Y295-I339 WeakPolarHBondContact OH-CG1 3.25Å; D335-I339 PolarHBondContact O-N 3.43Å; D335-I339 VanDerWaalsContact O-N 3.09Å; I336-I339 PolarHBondContact O-N 2.84Å; I339-S341 VanDerWaalsContact C-N 3.33Å; I339-S341 PolarHBondContact O-N 3.42Å; I339-Y342 PolarHBondContact O-N 2.87Å; I339-H343 WeakPolarHBondContact O-CB 3.23Å; I339-H343 PolarHBondContact O-N 3.49Å
340V87.2Confident84Confident1 Ų137.9 Ų37.91%0.00620%0.203CC..Hα-helixtrans-60.9-44.1178173.30000110.4T271 A274 V275 F287 L291 I336 Y342 H343 S344T271-V340 HydrophobicContact CG2-CB 4.14Å; T271-V340 HydrophobicContact CG2-CG1 4.3Å; T271-V340 HydrophobicContact CG2-CG2 3.99Å; A274-V340 HydrophobicContact CB-CG1 3.58Å; V275-V340 HydrophobicContact CG2-CG1 3.93Å; V275-V340 HydrophobicContact CG2-CG2 3.68Å; F287-V340 HydrophobicContact CZ-CB 4.46Å; F287-V340 HydrophobicContact CZ-CG2 3.96Å; L291-V340 HydrophobicContact CD1-CG2 4.34Å; L291-V340 HydrophobicContact CD2-CG2 4.45Å; I336-V340 HydrophobicContact CG2-CG2 3.88Å; I336-V340 WeakPolarHBondContact O-CB 3.26Å; I336-V340 WeakPolarHBondContact O-CG2 3.49Å; I336-V340 PolarHBondContact O-N 3.18Å; V340-Y342 VanDerWaalsContact C-N 3.32Å; V340-Y342 PolarHBondContact O-N 3.45Å; V340-H343 PolarHBondContact O-N 3.18Å; V340-S344 WeakPolarHBondContact O-CB 3.31Å; V340-S344 PolarHBondContact O-N 3.08Å; V340-S344 PolarHBondContact O-OG 3.22Å
341S85.3Confident83.1Confident34 Ų3441.4 Ų41.424%0.23822%0.217CC..Hα-helixtrans-62.9-39.3178.3-60.40000112Q337 S338 I339 W345Q337-S341 WeakPolarHBondContact O-CB 3.49Å; Q337-S341 PolarHBondContact O-N 2.96Å; Q337-S341 PolarHBondContact O-OG 3.44Å; S338-S341 PolarHBondContact O-N 2.9Å; I339-S341 VanDerWaalsContact C-N 3.33Å; I339-S341 PolarHBondContact O-N 3.42Å; S341-W345 VanDerWaalsContact O-CB 3.31Å; S341-W345 WeakPolarHBondContact O-CB 3.48Å; S341-W345 PolarHBondContact O-N 3.38Å
342Y85.1Confident82.1Confident106 Ų10641.6 Ų41.642%0.41621%0.212SC..Hα-helixtrans-67.7-42.2175.4-179.5-97.8000112.3S338 I339 V340 W345 C346 Q588S338-Y342 WeakPolarHBondContact O-CB 3.28Å; S338-Y342 PolarHBondContact O-N 2.82Å; I339-Y342 PolarHBondContact O-N 2.87Å; V340-Y342 VanDerWaalsContact C-N 3.32Å; V340-Y342 PolarHBondContact O-N 3.45Å; Y342-W345 HydrophobicContact CD2-CE3 4.33Å; Y342-W345 HydrophobicContact CE2-CE3 4.11Å; Y342-W345 HydrophobicContact CE2-CZ3 4.05Å; Y342-W345 WeakPolarHBondContact O-CB 3.4Å; Y342-W345 PolarHBondContact O-N 2.82Å; Y342-C346 VanDerWaalsContact CE1-SG 3.55Å; Y342-C346 PolarHBondContact O-N 3.08Å; Y342-C346 PolarHBondContact O-SG 3.48Å; Y342-C346 VanDerWaalsContact O-SG 3.41Å; Y342-Q588 HydrophobicContact CD2-CB 4.16Å; Y342-Q588 HydrophobicContact CE2-CB 4.38Å; Y342-Q588 HydrophobicContact CE2-CG 4.39Å
343H83.2Confident81.8Confident37 Ų3746.6 Ų46.617%0.17123%0.233CC..Hα-helixtrans-63-51.9176.2-174.4-89.4000110.7E284 F287 I339 V340 W345 C346 S347E284-H343 IonicContact OE1-CE1 3.58Å; E284-H343 IonicContact OE1-ND1 3.95Å; E284-H343 IonicContact OE2-CE1 3.64Å; E284-H343 IonicContact OE2-ND1 2.58Å; F287-H343 WeakPolarHBondContact CB-NE2 3.35Å; F287-H343 AromaticContact CD1-CE1 3.89Å; F287-H343 AromaticContact CD1-CG 3.96Å; F287-H343 AromaticContact CD1-ND1 3.69Å; F287-H343 HydrophobicContact CD2-CB 3.92Å; F287-H343 AromaticContact CD2-CD2 3.29Å; F287-H343 WeakPolarHBondContact CD2-CD2 3.3Å; F287-H343 AromaticContact CD2-CG 3.44Å; F287-H343 VanDerWaalsContact CD2-CG 3.44Å; F287-H343 AromaticContact CD2-NE2 3.82Å; F287-H343 HydrophobicContact CE1-CB 4.33Å; F287-H343 AromaticContact CE1-ND1 3.97Å; F287-H343 HydrophobicContact CE2-CB 3.51Å; F287-H343 AromaticContact CE2-CD2 3.86Å; F287-H343 AromaticContact CE2-CG 3.57Å; F287-H343 HydrophobicContact CG-CB 4.47Å; F287-H343 AromaticContact CG-CD2 3.53Å; F287-H343 AromaticContact CG-CE1 3.65Å; F287-H343 AromaticContact CG-CG 3.63Å; F287-H343 AromaticContact CG-ND1 3.7Å; F287-H343 AromaticContact CG-NE2 3.57Å; F287-H343 HydrophobicContact CZ-CB 3.74Å; F287-H343 AromaticContact CZ-CG 3.88Å; I339-H343 WeakPolarHBondContact O-CB 3.23Å; I339-H343 PolarHBondContact O-N 3.49Å; V340-H343 PolarHBondContact O-N 3.18Å; H343-W345 PolarHBondContact O-N 3.37Å; H343-C346 CarbonylContact O-C 3.57Å; H343-C346 WeakPolarHBondContact O-CA 3.22Å; H343-C346 WeakPolarHBondContact O-CB 3.41Å; H343-C346 PolarHBondContact O-N 3.19Å; H343-S347 PolarHBondContact CE1-OG 3.38Å; H343-S347 VanDerWaalsContact CE1-OG 3.22Å; H343-S347 PolarHBondContact ND1-OG 3.06Å; H343-S347 PolarHBondContact O-N 3.02Å; H343-S347 PolarHBondContact O-OG 2.85Å
344S81.9Confident81.5Confident19 Ų1946.6 Ų46.613%0.13323%0.233CC..Hα-helixtrans-58.6-35.5177.3-57.10000111.8V340 L348V340-S344 WeakPolarHBondContact O-CB 3.31Å; V340-S344 PolarHBondContact O-N 3.08Å; V340-S344 PolarHBondContact O-OG 3.22Å; S344-L348 WeakPolarHBondContact O-CB 3.44Å; S344-L348 PolarHBondContact O-N 3.18Å
345W81.5Confident81.4Confident28 Ų2846.5 Ų46.511%0.10623%0.229CC..Hα-helixtrans-64.1-44.7171.817392.5000112.3S341 Y342 H343 L348 L349 D587 Q588 I590 I593S341-W345 VanDerWaalsContact O-CB 3.31Å; S341-W345 WeakPolarHBondContact O-CB 3.48Å; S341-W345 PolarHBondContact O-N 3.38Å; Y342-W345 HydrophobicContact CD2-CE3 4.33Å; Y342-W345 HydrophobicContact CE2-CE3 4.11Å; Y342-W345 HydrophobicContact CE2-CZ3 4.05Å; Y342-W345 WeakPolarHBondContact O-CB 3.4Å; Y342-W345 PolarHBondContact O-N 2.82Å; H343-W345 PolarHBondContact O-N 3.37Å; W345-L348 PolarHBondContact O-N 3.16Å; W345-L349 HydrophobicContact CD2-CD1 3.78Å; W345-L349 HydrophobicContact CE3-CD1 4.32Å; W345-L349 HydrophobicContact CG-CD1 4.42Å; W345-L349 HydrophobicContact CH2-CD1 3.76Å; W345-L349 HydrophobicContact CZ2-CD1 3.16Å; W345-L349 HydrophobicContact CZ3-CD1 4.3Å; W345-L349 PolarHBondContact O-N 2.83Å; W345-D587 PolarHBondContact NE1-O 3.45Å; W345-Q588 HydrophobicContact CH2-CG 4.34Å; W345-Q588 HydrophobicContact CZ2-CG 4.32Å; W345-I590 HydrophobicContact CB-CG1 4.26Å; W345-I593 VanDerWaalsContact CD1-CD1 3.41Å
346C81.1Confident81.3Confident16 Ų1648.8 Ų48.811%0.10824%0.238CC..Hα-helixtrans-61.5-48.7176.4-770000111.9Y342 H343 L348 L349 K350Y342-C346 VanDerWaalsContact CE1-SG 3.55Å; Y342-C346 PolarHBondContact O-N 3.08Å; Y342-C346 PolarHBondContact O-SG 3.48Å; Y342-C346 VanDerWaalsContact O-SG 3.41Å; H343-C346 CarbonylContact O-C 3.57Å; H343-C346 WeakPolarHBondContact O-CA 3.22Å; H343-C346 WeakPolarHBondContact O-CB 3.41Å; H343-C346 PolarHBondContact O-N 3.19Å; C346-L348 VanDerWaalsContact C-N 3.34Å; C346-L348 PolarHBondContact O-N 3.32Å; C346-L349 PolarHBondContact O-N 3Å; C346-K350 VanDerWaalsContact O-CB 3.3Å; C346-K350 WeakPolarHBondContact O-CB 3.49Å; C346-K350 WeakPolarHBondContact O-CG 3.32Å; C346-K350 PolarHBondContact O-N 2.95Å
347S79.9Confident81.1Confident6 Ų649.2 Ų49.24%0.04224%0.24CC..Hα-helixtrans-59.3-46.2177.5-57.30000110.8E284 H343 L349 K350 E351 H352E284-S347 WeakPolarHBondContact OE1-CB 3.32Å; E284-S347 PolarHBondContact OE1-OG 2.91Å; H343-S347 PolarHBondContact CE1-OG 3.38Å; H343-S347 VanDerWaalsContact CE1-OG 3.22Å; H343-S347 PolarHBondContact ND1-OG 3.06Å; H343-S347 PolarHBondContact O-N 3.02Å; H343-S347 PolarHBondContact O-OG 2.85Å; S347-L349 PolarHBondContact O-N 3.21Å; S347-K350 PolarHBondContact O-N 3.4Å; S347-E351 WeakPolarHBondContact O-CA 3.29Å; S347-E351 WeakPolarHBondContact O-CB 3.38Å; S347-E351 PolarHBondContact O-N 3.21Å; S347-H352 PolarHBondContact O-N 3.24Å
348L79.6Confident81Confident11 Ų1147.8 Ų47.86%0.05823%0.233CC..Hα-helixtrans-62.2-41.2-179.8-169.464.7000113.2S344 W345 C346 L354 V478 F479 L482 I590S344-L348 WeakPolarHBondContact O-CB 3.44Å; S344-L348 PolarHBondContact O-N 3.18Å; W345-L348 PolarHBondContact O-N 3.16Å; C346-L348 VanDerWaalsContact C-N 3.34Å; C346-L348 PolarHBondContact O-N 3.32Å; L348-L354 HydrophobicContact CD2-CD2 4.02Å; L348-L354 HydrophobicContact CG-CB 4.35Å; L348-L354 HydrophobicContact CG-CD2 4.02Å; L348-L354 WeakPolarHBondContact O-CB 3.39Å; L348-L354 PolarHBondContact O-N 2.8Å; L348-V478 HydrophobicContact CD1-CG1 3.77Å; L348-F479 HydrophobicContact CD1-CD1 3.69Å; L348-F479 HydrophobicContact CD1-CE1 3.57Å; L348-F479 HydrophobicContact CG-CE1 4.45Å; L348-L482 HydrophobicContact CD2-CD1 3.68Å; L348-L482 HydrophobicContact CD2-CG 4.23Å; L348-L482 HydrophobicContact CG-CD1 4.46Å; L348-I590 HydrophobicContact CD2-CD1 4.43Å; L348-I590 HydrophobicContact CD2-CG1 4.29Å
349L76Confident81.1Confident21 Ų2146.3 Ų46.311%0.1122%0.222CC..Hα-helixtrans-76.3-42.6178.3-78.3178.6000113.3W345 C346 S347 K353 L354 I355W345-L349 HydrophobicContact CD2-CD1 3.78Å; W345-L349 HydrophobicContact CE3-CD1 4.32Å; W345-L349 HydrophobicContact CG-CD1 4.42Å; W345-L349 HydrophobicContact CH2-CD1 3.76Å; W345-L349 HydrophobicContact CZ2-CD1 3.16Å; W345-L349 HydrophobicContact CZ3-CD1 4.3Å; W345-L349 PolarHBondContact O-N 2.83Å; C346-L349 PolarHBondContact O-N 3Å; S347-L349 PolarHBondContact O-N 3.21Å; L349-K353 WeakPolarHBondContact O-CA 3.39Å; L349-L354 HydrophobicContact CD2-CB 4.39Å; L349-L354 HydrophobicContact CD2-CD2 4.33Å; L349-I355 HydrophobicContact CD2-CD1 4Å; L349-I355 HydrophobicContact CD2-CG1 3.93Å
350K73.1Confident81.1Confident159 Ų15944.1 Ų44.169%0.69121%0.211SC*.Hα-helixtrans-88.7-52.8-171.4-66.7178.3-179.1171.70112.7C346 S347C346-K350 VanDerWaalsContact O-CB 3.3Å; C346-K350 WeakPolarHBondContact O-CB 3.49Å; C346-K350 WeakPolarHBondContact O-CG 3.32Å; C346-K350 PolarHBondContact O-N 2.95Å; S347-K350 PolarHBondContact O-N 3.4Å
351E65.8Low81.1Confident94 Ų9444.1 Ų44.144%0.43921%0.211SC..THydrogen-bonded Turntrans-76.8-47.4-172.7-57-163.9168.500110.7S283 S347 K353S283-E351 PolarHBondContact OG-OE2 3.39Å; S347-E351 WeakPolarHBondContact O-CA 3.29Å; S347-E351 WeakPolarHBondContact O-CB 3.38Å; S347-E351 PolarHBondContact O-N 3.21Å; E351-K353 VanDerWaalsContact C-N 3.34Å
352H64.6Low81.2Confident58 Ų5843.5 Ų43.527%0.26920%0.204SC..SBendtrans-87.7-3.8-178.3-58.3-69.4000113.9S347 L354 V478 F479S347-H352 PolarHBondContact O-N 3.24Å; H352-L354 VanDerWaalsContact C-N 3.26Å; H352-L354 PolarHBondContact O-N 3.4Å; H352-V478 HydrophobicContact CB-CG1 4.32Å; H352-V478 WeakPolarHBondContact CD2-CG1 3.45Å; H352-V478 WeakPolarHBondContact CE1-CG2 3.49Å; H352-V478 WeakPolarHBondContact NE2-CG1 3.38Å; H352-F479 HydrophobicContact CB-CE1 3.87Å; H352-F479 HydrophobicContact CB-CZ 3.61Å; H352-F479 WeakPolarHBondContact O-CZ 3.3Å
353K79.4Confident81.3Confident110 Ų11039.8 Ų39.848%0.47819%0.191SC..  trans48.847.5-180-51-175.9-167.7165.40112L349 E351 I355 Q356 Y357L349-K353 WeakPolarHBondContact O-CA 3.39Å; E351-K353 VanDerWaalsContact C-N 3.34Å; K353-I355 PolarHBondContact O-N 2.91Å; K353-Q356 HydrophobicContact CB-CB 4.09Å; K353-Q356 HydrophobicContact CB-CG 4.06Å; K353-Q356 WeakPolarHBondContact O-CA 3.18Å; K353-Q356 WeakPolarHBondContact O-CB 3.3Å; K353-Q356 PolarHBondContact O-N 2.97Å; K353-Y357 PolarHBondContact O-N 2.83Å
354L83.1Confident81.4Confident0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-46.9-38.2-178.2174.465.5000113.2L348 L349 H352 Q356 Y357 I358 F479 L482 L584L348-L354 HydrophobicContact CD2-CD2 4.02Å; L348-L354 HydrophobicContact CG-CB 4.35Å; L348-L354 HydrophobicContact CG-CD2 4.02Å; L348-L354 WeakPolarHBondContact O-CB 3.39Å; L348-L354 PolarHBondContact O-N 2.8Å; L349-L354 HydrophobicContact CD2-CB 4.39Å; L349-L354 HydrophobicContact CD2-CD2 4.33Å; H352-L354 VanDerWaalsContact C-N 3.26Å; H352-L354 PolarHBondContact O-N 3.4Å; L354-Q356 VanDerWaalsContact C-N 3.32Å; L354-Q356 PolarHBondContact O-N 2.91Å; L354-Y357 PolarHBondContact O-N 3.12Å; L354-I358 HydrophobicContact CD1-CD1 3.82Å; L354-I358 HydrophobicContact CD1-CG1 3.98Å; L354-I358 HydrophobicContact CD2-CD1 4.23Å; L354-I358 HydrophobicContact CG-CD1 3.76Å; L354-I358 HydrophobicContact CG-CG1 4.28Å; L354-I358 WeakPolarHBondContact O-CB 3.46Å; L354-I358 WeakPolarHBondContact O-CG1 3.39Å; L354-I358 PolarHBondContact O-N 3.44Å; L354-F479 HydrophobicContact CB-CE1 3.92Å; L354-F479 HydrophobicContact CB-CZ 4.42Å; L354-F479 HydrophobicContact CD1-CD1 3.71Å; L354-F479 HydrophobicContact CD1-CE1 3.48Å; L354-F479 VanDerWaalsContact CD1-CE1 3.48Å; L354-F479 HydrophobicContact CD1-CZ 4.25Å; L354-F479 HydrophobicContact CG-CE1 4.3Å; L354-L482 HydrophobicContact CD1-CD1 3.56Å; L354-L482 HydrophobicContact CD2-CD1 3.58Å; L354-L482 HydrophobicContact CG-CD1 4.23Å; L354-L584 HydrophobicContact CD2-CD2 4.16Å
355I84.7Confident81.6Confident44 Ų4437.1 Ų37.123%0.22618%0.177CC..Hα-helixtrans-60.4-43.5178.2-63.7162.6000110.9L349 K353 I358 C359 I581 H585L349-I355 HydrophobicContact CD2-CD1 4Å; L349-I355 HydrophobicContact CD2-CG1 3.93Å; K353-I355 PolarHBondContact O-N 2.91Å; I355-I358 PolarHBondContact O-N 3.39Å; I355-C359 WeakPolarHBondContact O-CB 3.35Å; I355-C359 PolarHBondContact O-N 2.85Å; I355-C359 PolarHBondContact O-SG 3.31Å; I355-I581 HydrophobicContact CG2-CD1 4.17Å; I355-H585 VanDerWaalsContact CD1-CE1 3.47Å; I355-H585 WeakPolarHBondContact CD1-CE1 3.31Å
356Q85Confident81.9Confident110 Ų11035.8 Ų35.851%0.51417%0.172SC..Hα-helixtrans-65.2-42.6177.1-62.5-176.2-4.400110.6K353 L354 I358 C359 L360K353-Q356 HydrophobicContact CB-CB 4.09Å; K353-Q356 HydrophobicContact CB-CG 4.06Å; K353-Q356 WeakPolarHBondContact O-CA 3.18Å; K353-Q356 WeakPolarHBondContact O-CB 3.3Å; K353-Q356 PolarHBondContact O-N 2.97Å; L354-Q356 VanDerWaalsContact C-N 3.32Å; L354-Q356 PolarHBondContact O-N 2.91Å; Q356-I358 PolarHBondContact O-N 3.37Å; Q356-C359 CarbonylContact O-C 3.55Å; Q356-C359 WeakPolarHBondContact O-CB 3.19Å; Q356-C359 PolarHBondContact O-N 2.88Å; Q356-L360 WeakPolarHBondContact O-CG 3.33Å; Q356-L360 PolarHBondContact O-N 2.79Å
357Y85.4Confident82Confident9 Ų935.7 Ų35.74%0.03517%0.17CC..Hα-helixtrans-62.1-44.2176.1-175.5-102.6000112.6K353 L354 C359 L360 V361 N444 I473 P476 F479 F483K353-Y357 PolarHBondContact O-N 2.83Å; L354-Y357 PolarHBondContact O-N 3.12Å; Y357-C359 VanDerWaalsContact C-N 3.31Å; Y357-C359 PolarHBondContact O-N 2.95Å; Y357-L360 WeakPolarHBondContact O-CB 3.42Å; Y357-L360 PolarHBondContact O-N 2.77Å; Y357-V361 HydrophobicContact CD1-CG2 4.24Å; Y357-V361 HydrophobicContact CE1-CG2 3.87Å; Y357-V361 WeakPolarHBondContact O-CG2 3.47Å; Y357-V361 PolarHBondContact O-N 2.89Å; Y357-N444 HydrophobicContact CE2-CB 4.26Å; Y357-I473 WeakPolarHBondContact OH-CG2 3.45Å; Y357-P476 HydrophobicContact CE2-CG 4.34Å; Y357-F479 AromaticContact CD1-CD2 3.88Å; Y357-F479 HydrophobicContact CD1-CD2 3.88Å; Y357-F479 HydrophobicContact CD1-CE2 4Å; Y357-F479 HydrophobicContact CD1-CG 4.33Å; Y357-F479 HydrophobicContact CD2-CD2 4.26Å; Y357-F479 HydrophobicContact CD2-CE2 4.04Å; Y357-F479 HydrophobicContact CE1-CD2 4.04Å; Y357-F479 HydrophobicContact CE1-CG 4.43Å; Y357-F479 HydrophobicContact CE2-CD2 4.41Å; Y357-F479 AromaticContact CG-CD2 3.99Å; Y357-F479 HydrophobicContact CG-CD2 3.99Å; Y357-F479 AromaticContact CG-CE2 3.7Å; Y357-F479 HydrophobicContact CG-CE2 3.7Å; Y357-F479 HydrophobicContact CG-CZ 4.3Å; Y357-F483 AromaticContact CD1-CE2 3.74Å; Y357-F483 HydrophobicContact CD1-CE2 3.74Å; Y357-F483 AromaticContact CD1-CZ 3.83Å; Y357-F483 HydrophobicContact CD1-CZ 3.83Å; Y357-F483 AromaticContact CE1-CD2 3.99Å; Y357-F483 HydrophobicContact CE1-CD2 3.99Å; Y357-F483 HydrophobicContact CE1-CE1 4.1Å; Y357-F483 AromaticContact CE1-CE2 3.38Å; Y357-F483 HydrophobicContact CE1-CE2 3.38Å; Y357-F483 AromaticContact CE1-CZ 3.43Å; Y357-F483 HydrophobicContact CE1-CZ 3.43Å; Y357-F483 VanDerWaalsContact CE1-CZ 3.43Å
358I86.9Confident81.9Confident3 Ų337 Ų372%0.01519%0.185CC..Hα-helixtrans-64.4-37.2175.3-71174.4000111.1L354 I355 Q356 V361 K362 F483 F577 L580 L584L354-I358 HydrophobicContact CD1-CD1 3.82Å; L354-I358 HydrophobicContact CD1-CG1 3.98Å; L354-I358 HydrophobicContact CD2-CD1 4.23Å; L354-I358 HydrophobicContact CG-CD1 3.76Å; L354-I358 HydrophobicContact CG-CG1 4.28Å; L354-I358 WeakPolarHBondContact O-CB 3.46Å; L354-I358 WeakPolarHBondContact O-CG1 3.39Å; L354-I358 PolarHBondContact O-N 3.44Å; I355-I358 PolarHBondContact O-N 3.39Å; Q356-I358 PolarHBondContact O-N 3.37Å; I358-V361 PolarHBondContact O-N 3.13Å; I358-K362 PolarHBondContact O-N 3.09Å; I358-F483 HydrophobicContact CG1-CZ 4.47Å; I358-F577 HydrophobicContact CG2-CE2 3.65Å; I358-F577 HydrophobicContact CG2-CZ 4.19Å; I358-L580 HydrophobicContact CG2-CD2 4.18Å; I358-L584 HydrophobicContact CD1-CD1 3.68Å; I358-L584 HydrophobicContact CD1-CD2 4.3Å
359C87.8Confident81.8Confident41 Ų4141.4 Ų41.428%0.27720%0.201SC..Hα-helixtrans-62.7-43.9171.2-71.50000111.7I355 Q356 Y357 V361 K362 D363I355-C359 WeakPolarHBondContact O-CB 3.35Å; I355-C359 PolarHBondContact O-N 2.85Å; I355-C359 PolarHBondContact O-SG 3.31Å; Q356-C359 CarbonylContact O-C 3.55Å; Q356-C359 WeakPolarHBondContact O-CB 3.19Å; Q356-C359 PolarHBondContact O-N 2.88Å; Y357-C359 VanDerWaalsContact C-N 3.31Å; Y357-C359 PolarHBondContact O-N 2.95Å; C359-V361 VanDerWaalsContact C-N 3.35Å; C359-V361 PolarHBondContact O-N 3.47Å; C359-K362 WeakPolarHBondContact O-CB 3.12Å; C359-K362 PolarHBondContact O-N 3.39Å; C359-D363 WeakPolarHBondContact O-CB 3.47Å; C359-D363 VanDerWaalsContact O-CG 3.23Å; C359-D363 PolarHBondContact O-N 3.02Å
360L86.3Confident81.9Confident20 Ų2041.6 Ų41.611%0.10521%0.208CC..Hα-helixtrans-61.4-43175.3-71.2172.3000111.6Q356 Y357 K362 D363 V364 E440Q356-L360 WeakPolarHBondContact O-CG 3.33Å; Q356-L360 PolarHBondContact O-N 2.79Å; Y357-L360 WeakPolarHBondContact O-CB 3.42Å; Y357-L360 PolarHBondContact O-N 2.77Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 2.72Å; L360-D363 PolarHBondContact O-N 3.3Å; L360-V364 WeakPolarHBondContact O-CG2 3.31Å; L360-V364 PolarHBondContact O-N 2.95Å; L360-E440 HydrophobicContact CD1-CG 4.39Å; L360-E440 VanDerWaalsContact CD1-OE1 3.22Å; L360-E440 WeakPolarHBondContact CD1-OE1 3.28Å
361V87.1Confident82.4Confident0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-60-42.7174.7167.50000111.2Y357 I358 C359 L365 F445 I473 F483 Y491Y357-V361 HydrophobicContact CD1-CG2 4.24Å; Y357-V361 HydrophobicContact CE1-CG2 3.87Å; Y357-V361 WeakPolarHBondContact O-CG2 3.47Å; Y357-V361 PolarHBondContact O-N 2.89Å; I358-V361 PolarHBondContact O-N 3.13Å; C359-V361 VanDerWaalsContact C-N 3.35Å; C359-V361 PolarHBondContact O-N 3.47Å; V361-L365 HydrophobicContact CB-CD1 4.49Å; V361-L365 HydrophobicContact CG1-CD1 4Å; V361-L365 WeakPolarHBondContact O-CA 3.15Å; V361-L365 WeakPolarHBondContact O-CB 3.37Å; V361-L365 PolarHBondContact O-N 2.81Å; V361-F445 HydrophobicContact CG2-CE1 4.29Å; V361-F445 HydrophobicContact CG2-CZ 4.27Å; V361-I473 HydrophobicContact CG1-CD1 4.33Å; V361-F483 HydrophobicContact CG2-CE1 4.22Å; V361-F483 HydrophobicContact CG2-CZ 4.29Å; V361-Y491 HydrophobicContact CG1-CD1 4.11Å; V361-Y491 HydrophobicContact CG1-CD2 4.41Å; V361-Y491 HydrophobicContact CG1-CE1 3.79Å; V361-Y491 HydrophobicContact CG1-CE2 4.09Å; V361-Y491 HydrophobicContact CG1-CG 4.43Å
362K87.9Confident83.3Confident22 Ų2236.2 Ų36.210%0.09619%0.185CC..Hα-helixtrans-63.3-48.3173.2170.6-171.9166.2-175.90111.4I358 C359 L360 V364 L366 G368 E574 F577I358-K362 PolarHBondContact O-N 3.09Å; C359-K362 WeakPolarHBondContact O-CB 3.12Å; C359-K362 PolarHBondContact O-N 3.39Å; L360-K362 VanDerWaalsContact C-N 3.33Å; L360-K362 PolarHBondContact O-N 2.72Å; K362-V364 VanDerWaalsContact C-N 3.27Å; K362-V364 PolarHBondContact O-N 3.48Å; K362-L366 HydrophobicContact CB-CD1 4.4Å; K362-L366 HydrophobicContact CG-CB 4.43Å; K362-L366 HydrophobicContact CG-CD1 4.34Å; K362-L366 CarbonylContact O-C 3.59Å; K362-L366 WeakPolarHBondContact O-CA 3.46Å; K362-L366 WeakPolarHBondContact O-CB 3.31Å; K362-L366 PolarHBondContact O-N 3.05Å; K362-L366 VanDerWaalsContact O-N 3.11Å; K362-G368 PolarHBondContact O-N 3.32Å; K362-E574 WeakPolarHBondContact CE-OE2 3.38Å; K362-E574 VanDerWaalsContact NZ-CD 3.31Å; K362-E574 IonicContact NZ-OE1 2.65Å; K362-E574 PolarHBondContact NZ-OE1 3.18Å; K362-E574 IonicContact NZ-OE2 2.89Å; K362-E574 PolarHBondContact NZ-OE2 2.87Å; K362-F577 HydrophobicContact CB-CD2 4.26Å; K362-F577 HydrophobicContact CB-CE2 3.79Å; K362-F577 HydrophobicContact CB-CZ 4.29Å; K362-F577 HydrophobicContact CD-CB 4.41Å; K362-F577 HydrophobicContact CD-CD1 3.71Å; K362-F577 HydrophobicContact CD-CD2 3.59Å; K362-F577 HydrophobicContact CD-CE1 3.71Å; K362-F577 HydrophobicContact CD-CE2 3.56Å; K362-F577 HydrophobicContact CD-CG 3.64Å; K362-F577 HydrophobicContact CD-CZ 3.63Å; K362-F577 HydrophobicContact CG-CD2 4.32Å; K362-F577 HydrophobicContact CG-CE2 4.22Å
363D86.2Confident84.2Confident27 Ų2733.5 Ų33.514%0.14417%0.172CC..Hα-helixtrans-60.6-39-175.3-77.4-3.1000111.5C359 L360 G368 R369C359-D363 WeakPolarHBondContact O-CB 3.47Å; C359-D363 VanDerWaalsContact O-CG 3.23Å; C359-D363 PolarHBondContact O-N 3.02Å; L360-D363 PolarHBondContact O-N 3.3Å; D363-G368 PolarHBondContact O-N 3.23Å; D363-G368 VanDerWaalsContact O-N 3.15Å; D363-R369 HydrophobicContact CB-CG 3.93Å; D363-R369 PolarHBondContact O-N 2.81Å; D363-R369 VanDerWaalsContact O-N 3.17Å; D363-R369 IonicContact OD2-CZ 3.48Å; D363-R369 VanDerWaalsContact OD2-CZ 3.28Å; D363-R369 IonicContact OD2-NE 3.86Å; D363-R369 PolarHBondContact OD2-NE 3.38Å; D363-R369 IonicContact OD2-NH2 3.25Å; D363-R369 PolarHBondContact OD2-NH2 2.92Å
364V86.7Confident84.3Confident0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-89.9-66179.4-175.70000111.7L360 K362 L366 L367 L372 F373 F427 L441 F445 L471L360-V364 WeakPolarHBondContact O-CG2 3.31Å; L360-V364 PolarHBondContact O-N 2.95Å; K362-V364 VanDerWaalsContact C-N 3.27Å; K362-V364 PolarHBondContact O-N 3.48Å; V364-L366 PolarHBondContact O-N 2.89Å; V364-L367 PolarHBondContact O-N 2.88Å; V364-L372 HydrophobicContact CG2-CD2 4.23Å; V364-F373 HydrophobicContact CG1-CZ 4.31Å; V364-F373 VanDerWaalsContact O-CE2 3.3Å; V364-F373 WeakPolarHBondContact O-CE2 3.4Å; V364-F373 WeakPolarHBondContact O-CZ 3.41Å; V364-F427 HydrophobicContact CG1-CE2 4.23Å; V364-F427 HydrophobicContact CG1-CZ 3.79Å; V364-F427 HydrophobicContact CG2-CZ 4.46Å; V364-L441 HydrophobicContact CG2-CD2 3.96Å; V364-F445 HydrophobicContact CB-CE2 4.33Å; V364-F445 HydrophobicContact CB-CZ 4.29Å; V364-F445 HydrophobicContact CG1-CD2 4.47Å; V364-F445 HydrophobicContact CG2-CD2 4.47Å; V364-F445 HydrophobicContact CG2-CE2 3.99Å; V364-F445 HydrophobicContact CG2-CZ 4.35Å; V364-L471 HydrophobicContact CG1-CD2 3.92Å
365L85.9Confident84.3Confident0 Ų031.7 Ų31.70%017%0.169CC..Hα-helixtrans-73.1-28.9-171.1-76112.6000114.5V361 L367 F445 L471 I473 F495V361-L365 HydrophobicContact CB-CD1 4.49Å; V361-L365 HydrophobicContact CG1-CD1 4Å; V361-L365 WeakPolarHBondContact O-CA 3.15Å; V361-L365 WeakPolarHBondContact O-CB 3.37Å; V361-L365 PolarHBondContact O-N 2.81Å; L365-L367 VanDerWaalsContact C-N 3.34Å; L365-F445 HydrophobicContact CD1-CD1 3.78Å; L365-F445 HydrophobicContact CD1-CE1 3.32Å; L365-F445 HydrophobicContact CD1-CZ 4.29Å; L365-L471 HydrophobicContact CD1-CD2 4.49Å; L365-L471 HydrophobicContact CD2-CB 4.27Å; L365-L471 HydrophobicContact CD2-CD2 4Å; L365-L471 HydrophobicContact CD2-CG 3.99Å; L365-L471 HydrophobicContact CG-CD2 3.7Å; L365-L471 HydrophobicContact CG-CG 4.17Å; L365-I473 HydrophobicContact CD1-CD1 3.77Å; L365-I473 HydrophobicContact CD1-CG1 3.58Å; L365-I473 HydrophobicContact CD2-CD1 4.18Å; L365-I473 HydrophobicContact CD2-CG1 3.98Å; L365-I473 HydrophobicContact CG-CG1 4.45Å; L365-F495 HydrophobicContact CD2-CB 4.48Å; L365-F495 WeakPolarHBondContact O-CA 3.4Å; L365-F495 WeakPolarHBondContact O-CB 3.36Å; L365-F495 WeakPolarHBondContact O-CD2 3.48Å
366L86.9Confident84.3Confident1 Ų129.6 Ų29.61%0.00516%0.159CC..THydrogen-bonded Turntrans-94.98.2176-57.6-179.8000112.5K362 V364 G368 Y491 L494 L498 Q569 I573 Y600 L604K362-L366 HydrophobicContact CB-CD1 4.4Å; K362-L366 HydrophobicContact CG-CB 4.43Å; K362-L366 HydrophobicContact CG-CD1 4.34Å; K362-L366 CarbonylContact O-C 3.59Å; K362-L366 WeakPolarHBondContact O-CA 3.46Å; K362-L366 WeakPolarHBondContact O-CB 3.31Å; K362-L366 PolarHBondContact O-N 3.05Å; K362-L366 VanDerWaalsContact O-N 3.11Å; V364-L366 PolarHBondContact O-N 2.89Å; L366-G368 PolarHBondContact O-N 2.89Å; L366-Y491 HydrophobicContact CD1-CE1 4.4Å; L366-Y491 HydrophobicContact CD2-CD1 4.2Å; L366-Y491 HydrophobicContact CG-CD1 4.49Å; L366-Y491 HydrophobicContact CG-CE1 4.48Å; L366-L494 HydrophobicContact CD2-CB 3.99Å; L366-L494 HydrophobicContact CD2-CD1 4.1Å; L366-L498 HydrophobicContact CB-CD1 4.46Å; L366-L498 HydrophobicContact CD2-CD1 4.22Å; L366-Q569 PolarHBondContact O-NE2 2.95Å; L366-Q569 PolarHBondContact O-OE1 3.32Å; L366-I573 HydrophobicContact CB-CD1 4.32Å; L366-I573 HydrophobicContact CB-CG2 4.28Å; L366-I573 HydrophobicContact CD1-CG2 3.89Å; L366-Y600 WeakPolarHBondContact CD1-OH 3.37Å; L366-L604 HydrophobicContact CD1-CD1 3.96Å; L366-L604 HydrophobicContact CD2-CD1 4.42Å
367L84.1Confident84.1Confident13 Ų1325 Ų257%0.06814%0.138CC..  trans5733.1-176.6-49.8174.3000113.1V364 L365 R369 F373 F495 L498 F499 R502V364-L367 PolarHBondContact O-N 2.88Å; L365-L367 VanDerWaalsContact C-N 3.34Å; L367-R369 PolarHBondContact O-N 3.27Å; L367-F373 HydrophobicContact CB-CD2 4.31Å; L367-F373 HydrophobicContact CB-CE2 4.36Å; L367-F373 HydrophobicContact CD2-CB 4.5Å; L367-F373 HydrophobicContact CD2-CD1 3.61Å; L367-F373 HydrophobicContact CD2-CD2 3.35Å; L367-F373 HydrophobicContact CD2-CE1 3.55Å; L367-F373 HydrophobicContact CD2-CE2 3.3Å; L367-F373 HydrophobicContact CD2-CG 3.51Å; L367-F373 HydrophobicContact CD2-CZ 3.41Å; L367-F373 VanDerWaalsContact CD2-CZ 3.41Å; L367-F373 HydrophobicContact CG-CD2 4.42Å; L367-F373 HydrophobicContact CG-CE2 4.37Å; L367-F495 HydrophobicContact CD2-CD2 4.24Å; L367-F495 HydrophobicContact CD2-CE2 3.94Å; L367-L498 VanDerWaalsContact CD1-C 3.42Å; L367-L498 HydrophobicContact CD1-CB 3.56Å; L367-L498 WeakPolarHBondContact CD1-O 3.35Å; L367-L498 HydrophobicContact CG-CB 4.2Å; L367-F499 HydrophobicContact CD1-CB 4.45Å; L367-F499 HydrophobicContact CD2-CD2 4.17Å; L367-R502 HydrophobicContact CD1-CB 3.98Å
368G77Confident84Confident34 Ų3428.8 Ų28.835%0.35116%0.158SC..  trans-58.8-33.9179.200000112.7K362 D363 L366K362-G368 PolarHBondContact O-N 3.32Å; D363-G368 PolarHBondContact O-N 3.23Å; D363-G368 VanDerWaalsContact O-N 3.15Å; L366-G368 PolarHBondContact O-N 2.89Å
369R78.7Confident83.7Confident104 Ų10431.2 Ų31.239%0.39217%0.17SC..  trans-98.186.6171.6-66.8-172.3-169.1-1714.5111D363 L367 E371 L372D363-R369 HydrophobicContact CB-CG 3.93Å; D363-R369 PolarHBondContact O-N 2.81Å; D363-R369 VanDerWaalsContact O-N 3.17Å; D363-R369 IonicContact OD2-CZ 3.48Å; D363-R369 VanDerWaalsContact OD2-CZ 3.28Å; D363-R369 IonicContact OD2-NE 3.86Å; D363-R369 PolarHBondContact OD2-NE 3.38Å; D363-R369 IonicContact OD2-NH2 3.25Å; D363-R369 PolarHBondContact OD2-NH2 2.92Å; L367-R369 PolarHBondContact O-N 3.27Å; R369-E371 PolarHBondContact O-N 3.48Å; R369-E371 VanDerWaalsContact O-N 3.08Å; R369-L372 HydrophobicContact CB-CB 4.15Å; R369-L372 PolarHBondContact O-N 3Å; R369-L372 VanDerWaalsContact O-N 3.1Å
370G76.9Confident83.3Confident25 Ų2529.3 Ų29.326%0.25816%0.157SC..Hα-helixtrans-55-27.7177.200000114.2L374G370-L374 WeakPolarHBondContact O-CG 3.46Å; G370-L374 PolarHBondContact O-N 2.89Å
371E85Confident82.7Confident139 Ų13930.1 Ų30.165%0.6516%0.161SC*.Hα-helixtrans-68.9-36.9177.8-63.2178.3178.400113.4R369 F373 L374 A375 L434R369-E371 PolarHBondContact O-N 3.48Å; R369-E371 VanDerWaalsContact O-N 3.08Å; E371-F373 VanDerWaalsContact C-N 3.29Å; E371-F373 PolarHBondContact O-N 3.49Å; E371-L374 WeakPolarHBondContact O-CB 3.45Å; E371-L374 PolarHBondContact O-N 3.4Å; E371-A375 PolarHBondContact O-N 3.41Å; E371-L434 HydrophobicContact CB-CD1 4.32Å; E371-L434 HydrophobicContact CB-CD2 4.45Å
372L84.8Confident82.2Confident0 Ų035.1 Ų35.10%019%0.187CC..Hα-helixtrans-60.4-42.4178-179.765.3000111.3V364 R369 F376 F427 A430 A431 L434 M436V364-L372 HydrophobicContact CG2-CD2 4.23Å; R369-L372 HydrophobicContact CB-CB 4.15Å; R369-L372 PolarHBondContact O-N 3Å; R369-L372 VanDerWaalsContact O-N 3.1Å; L372-F376 WeakPolarHBondContact O-CB 3.28Å; L372-F376 PolarHBondContact O-N 3.44Å; L372-F427 HydrophobicContact CD1-CE2 4.46Å; L372-F427 HydrophobicContact CD2-CE2 3.78Å; L372-F427 HydrophobicContact CD2-CZ 4.03Å; L372-F427 HydrophobicContact CG-CE2 4.12Å; L372-A430 HydrophobicContact CD1-CB 4.29Å; L372-A431 HydrophobicContact CD1-CB 4.33Å; L372-L434 HydrophobicContact CB-CD1 3.91Å; L372-L434 HydrophobicContact CD1-CD1 3.96Å; L372-M436 HydrophobicContact CD1-SD 4.05Å; L372-M436 HydrophobicContact CD2-SD 4.16Å
373F81.6Confident81.3Confident1 Ų136.7 Ų36.70%0.00420%0.2CC..Hα-helixtrans-76.9-27.2-179.6-69.3-81.2000113.2V364 L367 E371 F376 L377 F495 F499V364-F373 HydrophobicContact CG1-CZ 4.31Å; V364-F373 VanDerWaalsContact O-CE2 3.3Å; V364-F373 WeakPolarHBondContact O-CE2 3.4Å; V364-F373 WeakPolarHBondContact O-CZ 3.41Å; L367-F373 HydrophobicContact CB-CD2 4.31Å; L367-F373 HydrophobicContact CB-CE2 4.36Å; L367-F373 HydrophobicContact CD2-CB 4.5Å; L367-F373 HydrophobicContact CD2-CD1 3.61Å; L367-F373 HydrophobicContact CD2-CD2 3.35Å; L367-F373 HydrophobicContact CD2-CE1 3.55Å; L367-F373 HydrophobicContact CD2-CE2 3.3Å; L367-F373 HydrophobicContact CD2-CG 3.51Å; L367-F373 HydrophobicContact CD2-CZ 3.41Å; L367-F373 VanDerWaalsContact CD2-CZ 3.41Å; L367-F373 HydrophobicContact CG-CD2 4.42Å; L367-F373 HydrophobicContact CG-CE2 4.37Å; E371-F373 VanDerWaalsContact C-N 3.29Å; E371-F373 PolarHBondContact O-N 3.49Å; F373-F376 HydrophobicContact CD1-CD1 4.25Å; F373-L377 WeakPolarHBondContact O-CB 3.06Å; F373-L377 WeakPolarHBondContact O-CD1 3.48Å; F373-L377 VanDerWaalsContact O-CG 3.29Å; F373-L377 WeakPolarHBondContact O-CG 3.49Å; F373-L377 PolarHBondContact O-N 3.09Å; F373-F495 AromaticContact CE1-CE2 3.73Å; F373-F495 HydrophobicContact CE1-CE2 3.73Å; F373-F495 HydrophobicContact CE1-CZ 4.28Å; F373-F495 HydrophobicContact CZ-CE2 4.02Å; F373-F499 HydrophobicContact CD1-CD2 4.15Å; F373-F499 AromaticContact CD1-CE2 3.85Å; F373-F499 HydrophobicContact CD1-CE2 3.85Å
374L82.1Confident80.3Confident59 Ų5935.4 Ų35.431%0.30919%0.194SC..Hα-helixtrans-63.3-55.3168.8-72.3174.3000110.3G370 E371 F376 L377 D378 L506G370-L374 WeakPolarHBondContact O-CG 3.46Å; G370-L374 PolarHBondContact O-N 2.89Å; E371-L374 WeakPolarHBondContact O-CB 3.45Å; E371-L374 PolarHBondContact O-N 3.4Å; L374-F376 VanDerWaalsContact C-N 3.26Å; L374-F376 PolarHBondContact O-N 3.32Å; L374-L377 PolarHBondContact O-N 2.82Å; L374-L377 VanDerWaalsContact O-N 3.14Å; L374-D378 PolarHBondContact O-N 3.11Å; L374-L506 HydrophobicContact CD2-CD1 3.79Å; L374-L506 HydrophobicContact CD2-CD2 3.13Å; L374-L506 HydrophobicContact CD2-CG 4.09Å; L374-L506 HydrophobicContact CG-CD2 4.49Å
375A83Confident79.2Confident13 Ų1337.4 Ų37.411%0.10720%0.204CC..Hα-helixtrans-58.6-40.6178.400000111.5E371 D378 H379 A430 L434E371-A375 PolarHBondContact O-N 3.41Å; A375-D378 PolarHBondContact O-N 2.86Å; A375-H379 WeakPolarHBondContact O-CB 3.45Å; A375-H379 PolarHBondContact O-CD2 3.41Å; A375-H379 PolarHBondContact O-N 2.8Å; A375-A430 HydrophobicContact CB-CB 3.84Å; A375-L434 HydrophobicContact CB-CD1 4.44Å
376F85Confident78Confident0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans-59-47.6175.5170.7-122.5000112.7L372 F373 L374 D378 H379 L380 V423 A426 F427 A430 F499L372-F376 WeakPolarHBondContact O-CB 3.28Å; L372-F376 PolarHBondContact O-N 3.44Å; F373-F376 HydrophobicContact CD1-CD1 4.25Å; L374-F376 VanDerWaalsContact C-N 3.26Å; L374-F376 PolarHBondContact O-N 3.32Å; F376-D378 VanDerWaalsContact C-N 3.34Å; F376-H379 PolarHBondContact O-N 2.91Å; F376-L380 HydrophobicContact CD1-CD1 4.17Å; F376-L380 HydrophobicContact CD2-CD1 4.12Å; F376-L380 HydrophobicContact CD2-CG 4.17Å; F376-L380 HydrophobicContact CE1-CD1 3.68Å; F376-L380 HydrophobicContact CE2-CD1 3.61Å; F376-L380 HydrophobicContact CE2-CD2 4.19Å; F376-L380 HydrophobicContact CE2-CG 3.82Å; F376-L380 HydrophobicContact CG-CD1 4.39Å; F376-L380 HydrophobicContact CZ-CD1 3.39Å; F376-L380 HydrophobicContact CZ-CG 4.12Å; F376-L380 WeakPolarHBondContact O-CB 3.37Å; F376-L380 WeakPolarHBondContact O-CG 3.33Å; F376-L380 PolarHBondContact O-N 3.39Å; F376-V423 HydrophobicContact CE2-CG1 4.21Å; F376-V423 WeakPolarHBondContact CE2-O 3.41Å; F376-V423 HydrophobicContact CZ-CG1 3.89Å; F376-A426 HydrophobicContact CD2-CB 4.19Å; F376-A426 HydrophobicContact CE2-CB 4.1Å; F376-F427 VanDerWaalsContact CD2-CA 3.49Å; F376-F427 HydrophobicContact CD2-CB 3.81Å; F376-F427 HydrophobicContact CD2-CD2 4.32Å; F376-F427 HydrophobicContact CE2-CB 3.8Å; F376-F427 HydrophobicContact CG-CD2 4.45Å; F376-A430 HydrophobicContact CB-CB 3.95Å; F376-A430 VanDerWaalsContact N-CB 3.34Å; F376-F499 HydrophobicContact CD1-CZ 4.38Å; F376-F499 AromaticContact CE1-CZ 3.94Å; F376-F499 HydrophobicContact CE1-CZ 3.94Å
377L81.5Confident76.7Confident15 Ų1545.7 Ų45.78%0.07925%0.253CS..Hα-helixtrans-67.2-36.7178-71.9168000111.9F373 L374 L380 N381 L405 F499 L506F373-L377 WeakPolarHBondContact O-CB 3.06Å; F373-L377 WeakPolarHBondContact O-CD1 3.48Å; F373-L377 VanDerWaalsContact O-CG 3.29Å; F373-L377 WeakPolarHBondContact O-CG 3.49Å; F373-L377 PolarHBondContact O-N 3.09Å; L374-L377 PolarHBondContact O-N 2.82Å; L374-L377 VanDerWaalsContact O-N 3.14Å; L377-L380 HydrophobicContact CD2-CD1 4.28Å; L377-L380 PolarHBondContact O-N 3.39Å; L377-N381 WeakPolarHBondContact O-CB 3.41Å; L377-N381 VanDerWaalsContact O-CG 3.23Å; L377-N381 PolarHBondContact O-N 3.13Å; L377-N381 PolarHBondContact O-ND2 3.25Å; L377-L405 HydrophobicContact CD2-CD1 3.77Å; L377-F499 HydrophobicContact CD2-CZ 4.35Å; L377-L506 HydrophobicContact CD1-CD1 3.22Å
378D82.5Confident75.1Confident87 Ų8747.7 Ų47.747%0.46526%0.263SS..Hα-helixtrans-62.6-46.3173.8-71-22.1000111.5L374 A375 F376 L380 N381 I382L374-D378 PolarHBondContact O-N 3.11Å; A375-D378 PolarHBondContact O-N 2.86Å; F376-D378 VanDerWaalsContact C-N 3.34Å; D378-L380 PolarHBondContact O-N 3.02Å; D378-N381 PolarHBondContact O-N 3.33Å; D378-I382 VanDerWaalsContact O-CG1 3.25Å; D378-I382 WeakPolarHBondContact O-CG1 3.36Å; D378-I382 PolarHBondContact O-N 3.41Å
379H79.8Confident74.1Confident55 Ų5551.3 Ų51.326%0.25527%0.273SS..Hα-helixtrans-64.9-38177.3-76.1-62.4000112.5A375 F376 N381 I382 S383 A426 S433A375-H379 WeakPolarHBondContact O-CB 3.45Å; A375-H379 PolarHBondContact O-CD2 3.41Å; A375-H379 PolarHBondContact O-N 2.8Å; F376-H379 PolarHBondContact O-N 2.91Å; H379-N381 VanDerWaalsContact C-N 3.34Å; H379-I382 PolarHBondContact O-N 2.82Å; H379-S383 WeakPolarHBondContact O-CB 3.41Å; H379-S383 PolarHBondContact O-N 3.05Å; H379-A426 HydrophobicContact CB-CB 4.29Å; H379-S433 PolarHBondContact NE2-OG 3.14Å
380L79.5Confident72.7Confident1 Ų152.5 Ų52.51%0.00529%0.288CS..Hα-helixtrans-61.8-41.7172.1-77.4174.4000112F376 L377 D378 N384 L405 V423 A426F376-L380 HydrophobicContact CD1-CD1 4.17Å; F376-L380 HydrophobicContact CD2-CD1 4.12Å; F376-L380 HydrophobicContact CD2-CG 4.17Å; F376-L380 HydrophobicContact CE1-CD1 3.68Å; F376-L380 HydrophobicContact CE2-CD1 3.61Å; F376-L380 HydrophobicContact CE2-CD2 4.19Å; F376-L380 HydrophobicContact CE2-CG 3.82Å; F376-L380 HydrophobicContact CG-CD1 4.39Å; F376-L380 HydrophobicContact CZ-CD1 3.39Å; F376-L380 HydrophobicContact CZ-CG 4.12Å; F376-L380 WeakPolarHBondContact O-CB 3.37Å; F376-L380 WeakPolarHBondContact O-CG 3.33Å; F376-L380 PolarHBondContact O-N 3.39Å; L377-L380 HydrophobicContact CD2-CD1 4.28Å; L377-L380 PolarHBondContact O-N 3.39Å; D378-L380 PolarHBondContact O-N 3.02Å; L380-N384 PolarHBondContact O-N 3.43Å; L380-L405 HydrophobicContact CD1-CD1 3.67Å; L380-L405 HydrophobicContact CD1-CG 4.11Å; L380-V423 HydrophobicContact CD2-CG2 4.22Å; L380-A426 HydrophobicContact CD2-CB 3.54Å; L380-A426 HydrophobicContact CG-CB 3.79Å
381N75.3Confident71.3Confident37 Ų3758 Ų5820%0.19831%0.311CS..Hα-helixtrans-68.9-40.6177.8-71.7-18.2000111.7L377 D378 H379 N384 N385 S403L377-N381 WeakPolarHBondContact O-CB 3.41Å; L377-N381 VanDerWaalsContact O-CG 3.23Å; L377-N381 PolarHBondContact O-N 3.13Å; L377-N381 PolarHBondContact O-ND2 3.25Å; D378-N381 PolarHBondContact O-N 3.33Å; H379-N381 VanDerWaalsContact C-N 3.34Å; N381-N384 WeakPolarHBondContact O-CB 3.35Å; N381-N384 PolarHBondContact O-N 2.72Å; N381-N385 PolarHBondContact O-N 3.14Å; N381-N385 PolarHBondContact O-OD1 3.17Å; N381-S403 VanDerWaalsContact OD1-CB 3.25Å; N381-S403 WeakPolarHBondContact OD1-CB 3.33Å; N381-S403 PolarHBondContact OD1-OG 3.42Å
382I76.1Confident69.5Low104 Ų10454.9 Ų54.953%0.53331%0.305SS..Hα-helixtrans-63.3-46.4176.5-68.5163.4000111.4D378 H379 N384 N385 L386D378-I382 VanDerWaalsContact O-CG1 3.25Å; D378-I382 WeakPolarHBondContact O-CG1 3.36Å; D378-I382 PolarHBondContact O-N 3.41Å; H379-I382 PolarHBondContact O-N 2.82Å; I382-N384 VanDerWaalsContact C-N 3.28Å; I382-N384 PolarHBondContact O-N 2.66Å; I382-N385 WeakPolarHBondContact O-CB 3.49Å; I382-N385 PolarHBondContact O-N 3.14Å; I382-N385 VanDerWaalsContact O-N 3.09Å; I382-L386 PolarHBondContact O-N 3.17Å
383S68.6Low67.4Low55 Ų5567.2 Ų67.239%0.38535%0.351SS..Hα-helixtrans-57.5-43177.2179.60000111.4H379 N385 L386 S387H379-S383 WeakPolarHBondContact O-CB 3.41Å; H379-S383 PolarHBondContact O-N 3.05Å; S383-N385 PolarHBondContact O-N 3.34Å; S383-L386 PolarHBondContact O-N 3.46Å; S383-S387 PolarHBondContact O-N 3.47Å; S383-S387 VanDerWaalsContact O-N 3.12Å
384N66.4Low65.1Low1 Ų172.5 Ų72.51%0.00539%0.387CS..Hα-helixtrans-61.8-41.7174.9-165.244.6000112.5L380 N381 I382 L386 S387 N388 H402 I404 K407L380-N384 PolarHBondContact O-N 3.43Å; N381-N384 WeakPolarHBondContact O-CB 3.35Å; N381-N384 PolarHBondContact O-N 2.72Å; I382-N384 VanDerWaalsContact C-N 3.28Å; I382-N384 PolarHBondContact O-N 2.66Å; N384-L386 VanDerWaalsContact C-N 3.35Å; N384-L386 PolarHBondContact O-N 3.18Å; N384-S387 PolarHBondContact O-N 3.04Å; N384-S387 PolarHBondContact O-OG 3.03Å; N384-N388 PolarHBondContact O-N 3.39Å; N384-N388 PolarHBondContact O-ND2 2.96Å; N384-H402 PolarHBondContact ND2-O 3.5Å; N384-I404 HydrophobicContact CB-CD1 4.04Å; N384-I404 HydrophobicContact CB-CG1 3.77Å; N384-K407 PolarHBondContact OD1-NZ 3.24Å
385N62.7Low62.9Low42 Ų4272 Ų7223%0.22540%0.397CS..Hα-helixtrans-64.6-40.9-179.6-70.4-7.8000111.8N381 I382 S383 N388 I389 Q401N381-N385 PolarHBondContact O-N 3.14Å; N381-N385 PolarHBondContact O-OD1 3.17Å; I382-N385 WeakPolarHBondContact O-CB 3.49Å; I382-N385 PolarHBondContact O-N 3.14Å; I382-N385 VanDerWaalsContact O-N 3.09Å; S383-N385 PolarHBondContact O-N 3.34Å; N385-N388 PolarHBondContact O-N 3.21Å; N385-I389 VanDerWaalsContact O-CG1 3.27Å; N385-I389 WeakPolarHBondContact O-CG1 3.46Å; N385-I389 PolarHBondContact O-N 2.99Å; N385-Q401 VanDerWaalsContact CG-CD 3.41Å; N385-Q401 PolarHBondContact ND2-OE1 3.3Å; N385-Q401 PolarHBondContact OD1-NE2 3.08Å; N385-Q401 VanDerWaalsContact OD1-NE2 3.1Å; N385-Q401 PolarHBondContact OD1-OE1 2.98Å
386L60Low60.9Low119 Ų11978.8 Ų78.862%0.62344%0.437SS*.Hα-helixtrans-64.9-41.1176.7-167.164.7000111.8I382 S383 N384 N388I382-L386 PolarHBondContact O-N 3.17Å; S383-L386 PolarHBondContact O-N 3.46Å; N384-L386 VanDerWaalsContact C-N 3.35Å; N384-L386 PolarHBondContact O-N 3.18Å; L386-N388 VanDerWaalsContact C-N 3.34Å; L386-N388 PolarHBondContact O-N 3.05Å
387S59.3Low58.3Low56 Ų5682.4 Ų82.439%0.39246%0.459SS..Hα-helixtrans-64.3-36.5175.673.20000113S383 N384S383-S387 PolarHBondContact O-N 3.47Å; S383-S387 VanDerWaalsContact O-N 3.12Å; N384-S387 PolarHBondContact O-N 3.04Å; N384-S387 PolarHBondContact O-OG 3.03Å
388N51.9Low56.3Low55 Ų5587.2 Ų87.229%0.29449%0.493SS..Hα-helixtrans-81-30-177.8-77.2-27.4000114.4N384 N385 L386 N390 N391 S392N384-N388 PolarHBondContact O-N 3.39Å; N384-N388 PolarHBondContact O-ND2 2.96Å; N385-N388 PolarHBondContact O-N 3.21Å; L386-N388 VanDerWaalsContact C-N 3.34Å; L386-N388 PolarHBondContact O-N 3.05Å; N388-N390 PolarHBondContact O-N 3.41Å; N388-N391 PolarHBondContact O-N 3.16Å; N388-N391 VanDerWaalsContact O-N 3.11Å; N388-S392 PolarHBondContact O-N 3.05Å; N388-S392 PolarHBondContact O-OG 2.89Å
389I54.7Low54.1Low110 Ų11090.7 Ų90.756%0.56450%0.504SS*.Hα-helixtrans-59.3-37.2174.8-73.3164.1000110.4N385 N391N385-I389 VanDerWaalsContact O-CG1 3.27Å; N385-I389 WeakPolarHBondContact O-CG1 3.46Å; N385-I389 PolarHBondContact O-N 2.99Å; I389-N391 VanDerWaalsContact C-N 3.26Å; I389-N391 PolarHBondContact O-N 3.47Å
390N49.8Very low52.4Low129 Ų12991.8 Ų91.869%0.6951%0.51SS*.Hα-helixtrans-68.1-25.1178.8-68.5-17.6000113.2N388N388-N390 PolarHBondContact O-N 3.41Å
391N48.9Very low50.9Low140 Ų14097 Ų9775%0.74953%0.534SS*.Hα-helixtrans-96.2-20.3-179-73.6-22.5000114N388 I389N388-N391 PolarHBondContact O-N 3.16Å; N388-N391 VanDerWaalsContact O-N 3.11Å; I389-N391 VanDerWaalsContact C-N 3.26Å; I389-N391 PolarHBondContact O-N 3.47Å
392S45.4Very low49.7Very low74 Ų7499.8 Ų99.852%0.51755%0.546SS..  trans-105.482.8-176.153.90000112N388 C394N388-S392 PolarHBondContact O-N 3.05Å; N388-S392 PolarHBondContact O-OG 2.89Å; S392-C394 PolarHBondContact O-N 3.46Å
393R42.1Very low48.8Very low259 Ų25995.5 Ų95.598%0.97753%0.526SS*.  trans-74.121.8175.9-136.7179-163.9-1754.6114.5
394C33.5Very low48.4Very low111 Ų11193.6 Ų93.675%0.7551%0.511SS*.  trans-138.7127.4-174.2-163.20000111.9S392S392-C394 PolarHBondContact O-N 3.46Å
395G35.1Very low48.2Very low50 Ų5093.6 Ų93.652%0.51551%0.511SS..  trans-74.7167.8-167.400000116.5T397G395-T397 VanDerWaalsContact C-N 3.26Å; G395-T397 PolarHBondContact O-N 3.5Å
396T40Very low48.2Very low155 Ų15593.2 Ų93.295%0.95151%0.509SS*.SBendtrans58.57.9155.823.60000120
397T31.6Very low48.5Very low76 Ų7691.6 Ų91.647%0.46650%0.497SS..  trans-101.4104.4162.456.40000108.5G395 K399 Y638G395-T397 VanDerWaalsContact C-N 3.26Å; G395-T397 PolarHBondContact O-N 3.5Å; T397-K399 PolarHBondContact O-N 2.95Å; T397-Y638 WeakPolarHBondContact CB-OH 3.4Å
398C39.2Very low48.5Very low116 Ų11694 Ų9478%0.78451%0.511SS*.  trans-65.476168.7-60.50000108.4I400C398-I400 PolarHBondContact O-N 3.29Å
399K37.2Very low48.9Very low160 Ų16092.7 Ų92.770%0.69651%0.506SS*.  trans-65.3124.1166.1-69.9-177.3178.3-178.70106.5T397 Q401T397-K399 PolarHBondContact O-N 2.95Å; K399-Q401 PolarHBondContact O-N 3.49Å
400I43.6Very low49.1Very low78 Ų7889.1 Ų89.140%0.449%0.49SS..  trans-47.1114.6178.1-62.8162.8000108.3C398 H402 N634C398-I400 PolarHBondContact O-N 3.29Å; I400-H402 VanDerWaalsContact C-N 3.35Å; I400-H402 PolarHBondContact O-N 3.37Å; I400-N634 HydrophobicContact CD1-CB 3.83Å
401Q47Very low49.6Very low109 Ų10989 Ų8951%0.50949%0.494SS..  trans-75.990.9176.4-71.9169.5-30.100107.2N385 K399 S403N385-Q401 VanDerWaalsContact CG-CD 3.41Å; N385-Q401 PolarHBondContact ND2-OE1 3.3Å; N385-Q401 PolarHBondContact OD1-NE2 3.08Å; N385-Q401 VanDerWaalsContact OD1-NE2 3.1Å; N385-Q401 PolarHBondContact OD1-OE1 2.98Å; K399-Q401 PolarHBondContact O-N 3.49Å; Q401-S403 PolarHBondContact O-N 3.24Å
402H50.3Low50.5Low96 Ų9687.4 Ų87.444%0.44449%0.485SS..  trans-59.6128.2171.6-72.8-67.4000109.5N384 I400 D406N384-H402 PolarHBondContact ND2-O 3.5Å; I400-H402 VanDerWaalsContact C-N 3.35Å; I400-H402 PolarHBondContact O-N 3.37Å; H402-D406 HydrophobicContact CB-CB 4.16Å
403S58.6Low51.6Low15 Ų1590.8 Ų90.811%0.10549%0.493CS..  trans-54.3149.2174.5-172.20000109.6N381 Q401 L405 D406N381-S403 VanDerWaalsContact OD1-CB 3.25Å; N381-S403 WeakPolarHBondContact OD1-CB 3.33Å; N381-S403 PolarHBondContact OD1-OG 3.42Å; Q401-S403 PolarHBondContact O-N 3.24Å; S403-L405 PolarHBondContact O-N 3.02Å; S403-D406 PolarHBondContact N-OD2 3.04Å; S403-D406 WeakPolarHBondContact O-CB 3.29Å; S403-D406 PolarHBondContact O-N 2.81Å
404I60.3Low52.9Low14 Ų1482.5 Ų82.57%0.07247%0.474CS..G310 helixtrans-50.6-34.3177.2-68167.5000110.8N384 D406 K407 L419N384-I404 HydrophobicContact CB-CD1 4.04Å; N384-I404 HydrophobicContact CB-CG1 3.77Å; I404-D406 VanDerWaalsContact C-N 3.32Å; I404-D406 PolarHBondContact O-N 2.97Å; I404-K407 WeakPolarHBondContact O-CB 3.12Å; I404-K407 PolarHBondContact O-N 3.25Å; I404-L419 HydrophobicContact CG2-CD1 3.27Å
405L61.6Low54.7Low1 Ų179 Ų791%0.00545%0.454CS..G310 helixtrans-72.3-18-179.2-60.7175.3000114.6L377 L380 S403 T464 V465 L466 R503L377-L405 HydrophobicContact CD2-CD1 3.77Å; L380-L405 HydrophobicContact CD1-CD1 3.67Å; L380-L405 HydrophobicContact CD1-CG 4.11Å; S403-L405 PolarHBondContact O-N 3.02Å; L405-T464 WeakPolarHBondContact O-CB 3.31Å; L405-V465 HydrophobicContact CD2-CG1 3.92Å; L405-V465 PolarHBondContact O-N 3.48Å; L405-L466 HydrophobicContact CB-CB 4.5Å; L405-L466 HydrophobicContact CB-CD1 4.37Å; L405-L466 HydrophobicContact CD1-CD1 3.83Å; L405-L466 PolarHBondContact O-N 2.84Å; L405-R503 PolarHBondContact O-NH2 2.92Å
406D62.3Low56.4Low35 Ų3577 Ų7719%0.18743%0.431CS..G310 helixtrans-83.5-13.1176.2-67-44.2000112.6H402 S403 I404 R503 K507H402-D406 HydrophobicContact CB-CB 4.16Å; S403-D406 PolarHBondContact N-OD2 3.04Å; S403-D406 WeakPolarHBondContact O-CB 3.29Å; S403-D406 PolarHBondContact O-N 2.81Å; I404-D406 VanDerWaalsContact C-N 3.32Å; I404-D406 PolarHBondContact O-N 2.97Å; D406-R503 IonicContact OD1-CZ 2.74Å; D406-R503 IonicContact OD1-NE 3.28Å; D406-R503 IonicContact OD1-NH2 2.95Å; D406-R503 PolarHBondContact OD1-NH2 3.29Å; D406-K507 WeakPolarHBondContact OD1-CE 3.49Å; D406-K507 IonicContact OD1-NZ 2.63Å; D406-K507 PolarHBondContact OD1-NZ 3.38Å; D406-K507 IonicContact OD2-NZ 2.66Å
407K65.2Low58Low84 Ų8475.9 Ų75.937%0.36542%0.416SS..SBendtrans-66.8150.2-180-65.3177-173.6168.40110.2N384 I404 V465N384-K407 PolarHBondContact OD1-NZ 3.24Å; I404-K407 WeakPolarHBondContact O-CB 3.12Å; I404-K407 PolarHBondContact O-N 3.25Å; K407-V465 WeakPolarHBondContact O-CG2 3.11Å; K407-V465 PolarHBondContact O-N 2.61Å
408P60.9Low60.1Low106 Ų10674.7 Ų74.769%0.68841%0.413SS*.PPolyproline II helixtrans-59.6145.4169.326.4-34000109.6
409P60.4Low61.9Low28 Ų2869.9 Ų69.918%0.18238%0.38CS..PPolyproline II helixtrans-61.1134.3-176.322.6-33.4000111.1I463P409-I463 WeakPolarHBondContact CD-O 3.49Å; P409-I463 HydrophobicContact CG-CG2 4.41Å
410P58.8Low63.8Low35 Ų3563.9 Ų63.923%0.22735%0.354CS..PPolyproline II helixtrans-67140.7-179.724.3-31.1000111.8A415 V416 L419P410-A415 HydrophobicContact CB-CB 3.81Å; P410-V416 HydrophobicContact CB-CG2 4.41Å; P410-V416 HydrophobicContact CG-CG2 3.8Å; P410-L419 HydrophobicContact CG-CD2 3.99Å
411T59.5Low65.6Low128 Ų12867.1 Ų67.179%0.78536%0.362SS*.SBendtrans-83.8-20.7179.3-35.30000113L451T411-L451 WeakPolarHBondContact O-CD2 3.33Å
412N67Low67.2Low105 Ų10564.9 Ų64.956%0.56135%0.354SS*.SBendtrans-97.4135.3-172.7-61-20000111.5S414 A415 V416N412-S414 VanDerWaalsContact C-N 3.3Å; N412-S414 PolarHBondContact O-N 3.47Å; N412-A415 HydrophobicContact CB-CB 4.12Å; N412-A415 PolarHBondContact O-N 3.22Å; N412-A415 VanDerWaalsContact O-N 3.15Å; N412-V416 WeakPolarHBondContact O-CG2 3.37Å; N412-V416 PolarHBondContact O-N 2.84Å
413E69Low68.8Low146 Ų14660.3 Ų60.368%0.68233%0.332SS*.Hα-helixtrans-57.2-39.5177.6-67.1179.817000113.1V416 Q417 L451E413-V416 WeakPolarHBondContact O-CB 3.43Å; E413-V416 PolarHBondContact O-N 3.21Å; E413-Q417 WeakPolarHBondContact O-CG 3.39Å; E413-Q417 PolarHBondContact O-N 2.95Å; E413-L451 HydrophobicContact CG-CD1 4.23Å
414S69.7Low70Confident84 Ų8460.9 Ų60.959%0.58734%0.335SS*.Hα-helixtrans-67.1-37.4177.7550000113.1N412 V416 Q417 A418N412-S414 VanDerWaalsContact C-N 3.3Å; N412-S414 PolarHBondContact O-N 3.47Å; S414-V416 VanDerWaalsContact C-N 3.3Å; S414-Q417 PolarHBondContact O-N 2.6Å; S414-A418 WeakPolarHBondContact O-CB 3.49Å; S414-A418 PolarHBondContact O-N 2.83Å
415A71.2Confident71.2Confident38 Ų3864.7 Ų64.731%0.31435%0.353SS..Hα-helixtrans-70.7-29.7175.600000111.6P410 N412 L419P410-A415 HydrophobicContact CB-CB 3.81Å; N412-A415 HydrophobicContact CB-CB 4.12Å; N412-A415 PolarHBondContact O-N 3.22Å; N412-A415 VanDerWaalsContact O-N 3.15Å; A415-L419 WeakPolarHBondContact O-CB 3.4Å; A415-L419 PolarHBondContact O-N 2.94Å; A415-L419 VanDerWaalsContact O-N 3.08Å
416V70.8Confident72.3Confident7 Ų765 Ų654%0.04236%0.356CS..Hα-helixtrans-68.2-47.5172.3172.70000110.7P410 N412 E413 S414 A418 L419 E420 I449 L451P410-V416 HydrophobicContact CB-CG2 4.41Å; P410-V416 HydrophobicContact CG-CG2 3.8Å; N412-V416 WeakPolarHBondContact O-CG2 3.37Å; N412-V416 PolarHBondContact O-N 2.84Å; E413-V416 WeakPolarHBondContact O-CB 3.43Å; E413-V416 PolarHBondContact O-N 3.21Å; S414-V416 VanDerWaalsContact C-N 3.3Å; V416-A418 PolarHBondContact O-N 3.15Å; V416-L419 PolarHBondContact O-N 3.49Å; V416-E420 HydrophobicContact CG1-CG 4.44Å; V416-E420 WeakPolarHBondContact O-CG 3.45Å; V416-E420 PolarHBondContact O-N 3.34Å; V416-I449 HydrophobicContact CG1-CB 3.96Å; V416-I449 HydrophobicContact CG1-CG2 4.28Å; V416-L451 HydrophobicContact CB-CD1 4.21Å; V416-L451 HydrophobicContact CG1-CD1 4.22Å; V416-L451 HydrophobicContact CG2-CD1 3.8Å; V416-L451 HydrophobicContact CG2-CG 4.02Å
417Q72.9Confident73.5Confident133 Ų13363.6 Ų63.662%0.62135%0.348SS*.Hα-helixtrans-64-40.9177.9-71.7177-5.700112.8E413 S414 L419 E420 Y421E413-Q417 WeakPolarHBondContact O-CG 3.39Å; E413-Q417 PolarHBondContact O-N 2.95Å; S414-Q417 PolarHBondContact O-N 2.6Å; Q417-L419 VanDerWaalsContact C-N 3.32Å; Q417-L419 PolarHBondContact O-N 2.98Å; Q417-E420 PolarHBondContact O-N 3.43Å; Q417-Y421 WeakPolarHBondContact O-CB 3.42Å; Q417-Y421 PolarHBondContact O-N 3.39Å
418A76.6Confident74.5Confident50 Ų5060.9 Ų60.941%0.41334%0.337SS..Hα-helixtrans-62-42.2174.500000111.3S414 V416 Y421 D422S414-A418 WeakPolarHBondContact O-CB 3.49Å; S414-A418 PolarHBondContact O-N 2.83Å; V416-A418 PolarHBondContact O-N 3.15Å; A418-Y421 WeakPolarHBondContact O-CB 3.15Å; A418-Y421 PolarHBondContact O-N 2.78Å; A418-D422 PolarHBondContact O-N 2.85Å
419L76Confident75.8Confident16 Ų1656.9 Ų56.98%0.08431%0.313CS..Hα-helixtrans-68.9-37.4177.3-17961.7000112.7I404 P410 A415 V416 Q417 Y421 D422 V423 I449 V465I404-L419 HydrophobicContact CG2-CD1 3.27Å; P410-L419 HydrophobicContact CG-CD2 3.99Å; A415-L419 WeakPolarHBondContact O-CB 3.4Å; A415-L419 PolarHBondContact O-N 2.94Å; A415-L419 VanDerWaalsContact O-N 3.08Å; V416-L419 PolarHBondContact O-N 3.49Å; Q417-L419 VanDerWaalsContact C-N 3.32Å; Q417-L419 PolarHBondContact O-N 2.98Å; L419-Y421 VanDerWaalsContact C-N 3.31Å; L419-D422 PolarHBondContact O-N 3.27Å; L419-V423 HydrophobicContact CD1-CG2 4.3Å; L419-V423 VanDerWaalsContact O-CB 3.3Å; L419-V423 WeakPolarHBondContact O-CB 3.29Å; L419-V423 WeakPolarHBondContact O-CG2 3.44Å; L419-V423 PolarHBondContact O-N 3.25Å; L419-I449 HydrophobicContact CB-CD1 4.17Å; L419-I449 HydrophobicContact CD2-CD1 3.65Å; L419-I449 HydrophobicContact CG-CD1 3.59Å; L419-V465 HydrophobicContact CD2-CG1 3.75Å; L419-V465 HydrophobicContact CD2-CG2 3.9Å
420E78.7Confident77Confident34 Ų3455.5 Ų55.516%0.15930%0.304CS..Hα-helixtrans-59.7-44.7171.3-76.3178.3174.700110.5V416 Q417 V423 T424 S448 I449V416-E420 HydrophobicContact CG1-CG 4.44Å; V416-E420 WeakPolarHBondContact O-CG 3.45Å; V416-E420 PolarHBondContact O-N 3.34Å; Q417-E420 PolarHBondContact O-N 3.43Å; E420-V423 PolarHBondContact O-N 3.45Å; E420-T424 WeakPolarHBondContact O-CG2 3.42Å; E420-T424 PolarHBondContact O-N 2.99Å; E420-T424 PolarHBondContact O-OG1 3.5Å; E420-T424 VanDerWaalsContact O-OG1 3.05Å; E420-S448 WeakPolarHBondContact OE1-CA 3.22Å; E420-I449 HydrophobicContact CG-CB 4.18Å; E420-I449 HydrophobicContact CG-CD1 3.93Å; E420-I449 HydrophobicContact CG-CG1 3.89Å; E420-I449 PolarHBondContact OE1-N 2.85Å
421Y80.6Confident78.4Confident146 Ų14653.9 Ų53.957%0.57329%0.293SS*.Hα-helixtrans-61.4-50.3176.2-177.1-95.6000112Q417 A418 L419 V423 T424 E425Q417-Y421 WeakPolarHBondContact O-CB 3.42Å; Q417-Y421 PolarHBondContact O-N 3.39Å; A418-Y421 WeakPolarHBondContact O-CB 3.15Å; A418-Y421 PolarHBondContact O-N 2.78Å; L419-Y421 VanDerWaalsContact C-N 3.31Å; Y421-V423 VanDerWaalsContact C-N 3.26Å; Y421-V423 PolarHBondContact O-N 3.34Å; Y421-T424 VanDerWaalsContact CA-OG1 3.29Å; Y421-T424 WeakPolarHBondContact CA-OG1 3.35Å; Y421-T424 PolarHBondContact O-N 2.85Å; Y421-T424 PolarHBondContact O-OG1 2.85Å; Y421-E425 WeakPolarHBondContact O-CB 3.49Å; Y421-E425 PolarHBondContact O-N 2.82Å
422D80.4Confident79.8Confident61 Ų6154.3 Ų54.333%0.32628%0.281SS..Hα-helixtrans-59.4-38.5178.5-66.9-21.2000111.7A418 L419 A426A418-D422 PolarHBondContact O-N 2.85Å; L419-D422 PolarHBondContact O-N 3.27Å; D422-A426 VanDerWaalsContact O-CB 3.31Å; D422-A426 WeakPolarHBondContact O-CB 3.42Å; D422-A426 PolarHBondContact O-N 2.98Å
423V83.5Confident80.7Confident0 Ų052.8 Ų52.80%028%0.278CS..Hα-helixtrans-68.9-45.4176.8166.40000111.1F376 L380 L419 E420 Y421 E425 A426 F427 F447 L469F376-V423 HydrophobicContact CE2-CG1 4.21Å; F376-V423 WeakPolarHBondContact CE2-O 3.41Å; F376-V423 HydrophobicContact CZ-CG1 3.89Å; L380-V423 HydrophobicContact CD2-CG2 4.22Å; L419-V423 HydrophobicContact CD1-CG2 4.3Å; L419-V423 VanDerWaalsContact O-CB 3.3Å; L419-V423 WeakPolarHBondContact O-CB 3.29Å; L419-V423 WeakPolarHBondContact O-CG2 3.44Å; L419-V423 PolarHBondContact O-N 3.25Å; E420-V423 PolarHBondContact O-N 3.45Å; Y421-V423 VanDerWaalsContact C-N 3.26Å; Y421-V423 PolarHBondContact O-N 3.34Å; V423-E425 VanDerWaalsContact C-N 3.34Å; V423-A426 PolarHBondContact O-N 3.25Å; V423-F427 WeakPolarHBondContact O-CB 3.38Å; V423-F427 PolarHBondContact O-N 3.45Å; V423-F447 HydrophobicContact CG1-CB 3.95Å; V423-F447 HydrophobicContact CG1-CD1 4.05Å; V423-F447 HydrophobicContact CG1-CD2 4Å; V423-F447 HydrophobicContact CG1-CG 3.72Å; V423-L469 HydrophobicContact CG1-CD1 4.1Å
424T84Confident81.6Confident27 Ų2749.1 Ų49.117%0.16626%0.263CS..Hα-helixtrans-61.8-43.3175.2490000111.4E420 Y421 A426 F427 L428 F447E420-T424 WeakPolarHBondContact O-CG2 3.42Å; E420-T424 PolarHBondContact O-N 2.99Å; E420-T424 PolarHBondContact O-OG1 3.5Å; E420-T424 VanDerWaalsContact O-OG1 3.05Å; Y421-T424 VanDerWaalsContact CA-OG1 3.29Å; Y421-T424 WeakPolarHBondContact CA-OG1 3.35Å; Y421-T424 PolarHBondContact O-N 2.85Å; Y421-T424 PolarHBondContact O-OG1 2.85Å; T424-A426 PolarHBondContact O-N 3.09Å; T424-F427 WeakPolarHBondContact O-CB 3.42Å; T424-F427 PolarHBondContact O-N 2.66Å; T424-L428 WeakPolarHBondContact O-CG 3.08Å; T424-L428 PolarHBondContact O-N 2.83Å; T424-F447 HydrophobicContact CG2-CB 4.19Å; T424-F447 HydrophobicContact CG2-CD2 3.97Å
425E86Confident82.3Confident94 Ų9448.5 Ų48.544%0.43927%0.27SS..Hα-helixtrans-64.5-43.4179.5-174.6179.4-175.600111.4Y421 V423 F427 L428 A429Y421-E425 WeakPolarHBondContact O-CB 3.49Å; Y421-E425 PolarHBondContact O-N 2.82Å; V423-E425 VanDerWaalsContact C-N 3.34Å; E425-F427 VanDerWaalsContact C-N 3.29Å; E425-F427 PolarHBondContact O-N 3.1Å; E425-L428 PolarHBondContact O-N 3.18Å; E425-A429 VanDerWaalsContact O-CB 3.29Å; E425-A429 WeakPolarHBondContact O-CB 3.45Å; E425-A429 PolarHBondContact O-N 3.27Å
426A84.8Confident82.9Confident8 Ų847.9 Ų47.97%0.06626%0.261CS..Hα-helixtrans-63.4-36.5175.800000112.2F376 H379 L380 D422 V423 T424 A430F376-A426 HydrophobicContact CD2-CB 4.19Å; F376-A426 HydrophobicContact CE2-CB 4.1Å; H379-A426 HydrophobicContact CB-CB 4.29Å; L380-A426 HydrophobicContact CD2-CB 3.54Å; L380-A426 HydrophobicContact CG-CB 3.79Å; D422-A426 VanDerWaalsContact O-CB 3.31Å; D422-A426 WeakPolarHBondContact O-CB 3.42Å; D422-A426 PolarHBondContact O-N 2.98Å; V423-A426 PolarHBondContact O-N 3.25Å; T424-A426 PolarHBondContact O-N 3.09Å; A426-A430 WeakPolarHBondContact O-CB 3.32Å; A426-A430 PolarHBondContact O-N 3.03Å
427F86.9Confident83.5Confident5 Ų551.6 Ų51.62%0.02228%0.28CS..Hα-helixtrans-67.3-45.6175.5178.1-103.3000111.9V364 L372 F376 V423 T424 E425 A429 A430 A431 L441 F447V364-F427 HydrophobicContact CG1-CE2 4.23Å; V364-F427 HydrophobicContact CG1-CZ 3.79Å; V364-F427 HydrophobicContact CG2-CZ 4.46Å; L372-F427 HydrophobicContact CD1-CE2 4.46Å; L372-F427 HydrophobicContact CD2-CE2 3.78Å; L372-F427 HydrophobicContact CD2-CZ 4.03Å; L372-F427 HydrophobicContact CG-CE2 4.12Å; F376-F427 VanDerWaalsContact CD2-CA 3.49Å; F376-F427 HydrophobicContact CD2-CB 3.81Å; F376-F427 HydrophobicContact CD2-CD2 4.32Å; F376-F427 HydrophobicContact CE2-CB 3.8Å; F376-F427 HydrophobicContact CG-CD2 4.45Å; V423-F427 WeakPolarHBondContact O-CB 3.38Å; V423-F427 PolarHBondContact O-N 3.45Å; T424-F427 WeakPolarHBondContact O-CB 3.42Å; T424-F427 PolarHBondContact O-N 2.66Å; E425-F427 VanDerWaalsContact C-N 3.29Å; E425-F427 PolarHBondContact O-N 3.1Å; F427-A429 VanDerWaalsContact C-N 3.34Å; F427-A429 PolarHBondContact O-N 3.31Å; F427-A430 WeakPolarHBondContact O-CB 3.21Å; F427-A430 PolarHBondContact O-N 3.29Å; F427-A431 PolarHBondContact O-N 2.76Å; F427-L441 HydrophobicContact CE1-CB 4.26Å; F427-L441 HydrophobicContact CE1-CD1 4.21Å; F427-L441 HydrophobicContact CZ-CD1 4.44Å; F427-F447 HydrophobicContact CB-CE2 3.66Å; F427-F447 HydrophobicContact CB-CZ 4.27Å; F427-F447 AromaticContact CD1-CE2 3.76Å; F427-F447 HydrophobicContact CD1-CE2 3.76Å; F427-F447 HydrophobicContact CD1-CZ 4.44Å; F427-F447 AromaticContact CD2-CE2 3.91Å; F427-F447 HydrophobicContact CD2-CE2 3.91Å; F427-F447 AromaticContact CD2-CZ 3.84Å; F427-F447 HydrophobicContact CD2-CZ 3.84Å; F427-F447 HydrophobicContact CE1-CE2 4.36Å; F427-F447 HydrophobicContact CE2-CE2 4.5Å; F427-F447 HydrophobicContact CE2-CZ 4.27Å; F427-F447 AromaticContact CG-CE2 3.49Å; F427-F447 HydrophobicContact CG-CE2 3.49Å; F427-F447 VanDerWaalsContact CG-CE2 3.49Å; F427-F447 AromaticContact CG-CZ 3.93Å; F427-F447 HydrophobicContact CG-CZ 3.93Å
428L87.7Confident84Confident28 Ų2847.5 Ų47.515%0.14726%0.263CS..Hα-helixtrans-67-35.6176.7-64176.6000111.7T424 E425 A430 A431 R432 D438 L441 D442T424-L428 WeakPolarHBondContact O-CG 3.08Å; T424-L428 PolarHBondContact O-N 2.83Å; E425-L428 PolarHBondContact O-N 3.18Å; L428-A430 VanDerWaalsContact C-N 3.33Å; L428-A430 PolarHBondContact O-N 2.75Å; L428-A431 WeakPolarHBondContact O-CB 2.8Å; L428-A431 PolarHBondContact O-N 2.83Å; L428-R432 WeakPolarHBondContact O-CG 3.45Å; L428-R432 PolarHBondContact O-N 3.11Å; L428-D438 HydrophobicContact CD2-CB 4.21Å; L428-D438 WeakPolarHBondContact CD2-O 3.38Å; L428-L441 HydrophobicContact CD2-CB 4.24Å; L428-D442 HydrophobicContact CD1-CB 4.14Å; L428-D442 HydrophobicContact CD2-CB 4.08Å
429A87Confident84.2Confident21 Ų2152.5 Ų52.517%0.17428%0.278CS..Hα-helixtrans-62.1-40.2172.100000112.2E425 F427 R432 S433E425-A429 VanDerWaalsContact O-CB 3.29Å; E425-A429 WeakPolarHBondContact O-CB 3.45Å; E425-A429 PolarHBondContact O-N 3.27Å; F427-A429 VanDerWaalsContact C-N 3.34Å; F427-A429 PolarHBondContact O-N 3.31Å; A429-R432 PolarHBondContact O-N 2.96Å; A429-S433 PolarHBondContact O-N 3.43Å; A429-S433 PolarHBondContact O-OG 3.12Å
430A86.8Confident84.5Confident0 Ų055.5 Ų55.50%029%0.291CS..Hα-helixtrans-66.3-38.5173.600000112.7L372 A375 F376 A426 F427 L428 S433 L434L372-A430 HydrophobicContact CD1-CB 4.29Å; A375-A430 HydrophobicContact CB-CB 3.84Å; F376-A430 HydrophobicContact CB-CB 3.95Å; F376-A430 VanDerWaalsContact N-CB 3.34Å; A426-A430 WeakPolarHBondContact O-CB 3.32Å; A426-A430 PolarHBondContact O-N 3.03Å; F427-A430 WeakPolarHBondContact O-CB 3.21Å; F427-A430 PolarHBondContact O-N 3.29Å; L428-A430 VanDerWaalsContact C-N 3.33Å; L428-A430 PolarHBondContact O-N 2.75Å; A430-S433 PolarHBondContact O-N 3.45Å; A430-S433 PolarHBondContact O-OG 3.47Å; A430-L434 PolarHBondContact O-N 3.28Å
431A87Confident84.6Confident0 Ų054 Ų540%028%0.284CS..Hα-helixtrans-62-45.7173.800000111.4L372 F427 L428 S433 L434 G435 M436 L441L372-A431 HydrophobicContact CD1-CB 4.33Å; F427-A431 PolarHBondContact O-N 2.76Å; L428-A431 WeakPolarHBondContact O-CB 2.8Å; L428-A431 PolarHBondContact O-N 2.83Å; A431-S433 PolarHBondContact O-N 3.49Å; A431-L434 CarbonylContact O-C 3.53Å; A431-L434 PolarHBondContact O-N 2.97Å; A431-G435 PolarHBondContact O-N 3.32Å; A431-G435 VanDerWaalsContact O-N 3.14Å; A431-M436 HydrophobicContact CB-CB 4.1Å; A431-M436 PolarHBondContact O-N 3.08Å; A431-L441 HydrophobicContact CB-CD1 3.44Å; A431-L441 VanDerWaalsContact CB-CD1 3.44Å
432R89.3Confident84.7Confident138 Ų13851.4 Ų51.452%0.52128%0.28SS..Hα-helixtrans-61.1-40.7176.9-74.6-169.6-67.5-131.53.2113L428 A429 L434 G435 D438L428-R432 WeakPolarHBondContact O-CG 3.45Å; L428-R432 PolarHBondContact O-N 3.11Å; A429-R432 PolarHBondContact O-N 2.96Å; R432-L434 PolarHBondContact O-N 3.06Å; R432-G435 PolarHBondContact O-N 3.15Å; R432-G435 VanDerWaalsContact O-N 3.14Å; R432-D438 WeakPolarHBondContact CD-OD2 2.97Å; R432-D438 HydrophobicContact CG-CB 4.07Å; R432-D438 WeakPolarHBondContact CG-OD2 3.48Å; R432-D438 IonicContact NH1-OD2 2.8Å
433S86.9Confident84.7Confident73 Ų7351.7 Ų51.751%0.5129%0.287SS..Hα-helixtrans-67.3-24.2179.463.50000113.1H379 A429 A430 A431H379-S433 PolarHBondContact NE2-OG 3.14Å; A429-S433 PolarHBondContact O-N 3.43Å; A429-S433 PolarHBondContact O-OG 3.12Å; A430-S433 PolarHBondContact O-N 3.45Å; A430-S433 PolarHBondContact O-OG 3.47Å; A431-S433 PolarHBondContact O-N 3.49Å
434L87.6Confident84.6Confident69 Ų6952.2 Ų52.236%0.36129%0.29SS..THydrogen-bonded Turntrans-95.43.3174.8-63.7175.2000113.9E371 L372 A375 A430 A431 R432 M436E371-L434 HydrophobicContact CB-CD1 4.32Å; E371-L434 HydrophobicContact CB-CD2 4.45Å; L372-L434 HydrophobicContact CB-CD1 3.91Å; L372-L434 HydrophobicContact CD1-CD1 3.96Å; A375-L434 HydrophobicContact CB-CD1 4.44Å; A430-L434 PolarHBondContact O-N 3.28Å; A431-L434 CarbonylContact O-C 3.53Å; A431-L434 PolarHBondContact O-N 2.97Å; R432-L434 PolarHBondContact O-N 3.06Å; L434-M436 VanDerWaalsContact C-N 3.33Å; L434-M436 HydrophobicContact CB-CG 4.49Å; L434-M436 PolarHBondContact O-N 3.49Å
435G83.9Confident84.6Confident71 Ų7151.2 Ų51.273%0.73228%0.283SS*.THydrogen-bonded Turntrans68.627.9179.800000114.1A431 R432A431-G435 PolarHBondContact O-N 3.32Å; A431-G435 VanDerWaalsContact O-N 3.14Å; R432-G435 PolarHBondContact O-N 3.15Å; R432-G435 VanDerWaalsContact O-N 3.14Å
436M83Confident84.4Confident24 Ų2452 Ų5212%0.11829%0.285CS..  trans-83.1155.1170.4-62.9-174.767.100110.6L372 A431 L434 D438 L441L372-M436 HydrophobicContact CD1-SD 4.05Å; L372-M436 HydrophobicContact CD2-SD 4.16Å; A431-M436 HydrophobicContact CB-CB 4.1Å; A431-M436 PolarHBondContact O-N 3.08Å; L434-M436 VanDerWaalsContact C-N 3.33Å; L434-M436 HydrophobicContact CB-CG 4.49Å; L434-M436 PolarHBondContact O-N 3.49Å; M436-D438 PolarHBondContact O-N 3.37Å; M436-L441 HydrophobicContact CB-CD1 4.17Å; M436-L441 HydrophobicContact CE-CD1 4.05Å; M436-L441 HydrophobicContact CE-CD2 4.29Å
437D83.7Confident84.1Confident85 Ų8551.7 Ų51.746%0.45528%0.282SS..  trans-72109.4174.1-169.1-25.8000109.4E439 E440 L441D437-E439 PolarHBondContact OD1-N 3.39Å; D437-E439 VanDerWaalsContact OD1-N 3.09Å; D437-E440 HydrophobicContact CB-CB 3.91Å; D437-E440 PolarHBondContact OD1-N 2.94Å; D437-E440 VanDerWaalsContact OD1-N 3.12Å; D437-L441 VanDerWaalsContact O-CG 3.3Å; D437-L441 WeakPolarHBondContact O-CG 3.46Å; D437-L441 PolarHBondContact O-N 2.89Å
438D83.1Confident83.5Confident48 Ų4852.7 Ų52.726%0.25729%0.29SS..Hα-helixtrans-73.7-31.4-178.954.1-25.1000112.2L428 R432 M436 L441 D442L428-D438 HydrophobicContact CD2-CB 4.21Å; L428-D438 WeakPolarHBondContact CD2-O 3.38Å; R432-D438 WeakPolarHBondContact CD-OD2 2.97Å; R432-D438 HydrophobicContact CG-CB 4.07Å; R432-D438 WeakPolarHBondContact CG-OD2 3.48Å; R432-D438 IonicContact NH1-OD2 2.8Å; M436-D438 PolarHBondContact O-N 3.37Å; D438-L441 PolarHBondContact O-N 3.27Å; D438-D442 WeakPolarHBondContact O-CB 3.45Å; D438-D442 PolarHBondContact O-N 3.34Å
439E82.1Confident82.7Confident155 Ų15551.8 Ų51.872%0.72429%0.285SS*.Hα-helixtrans-69.2-41176.4-59.9-175.8178.100111.4D437 L441 S443D437-E439 PolarHBondContact OD1-N 3.39Å; D437-E439 VanDerWaalsContact OD1-N 3.09Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 3.5Å; E439-S443 WeakPolarHBondContact O-CB 3.21Å; E439-S443 PolarHBondContact O-N 2.97Å; E439-S443 VanDerWaalsContact O-N 3.13Å; E439-S443 PolarHBondContact O-OG 3.03Å
440E81.9Confident81.8Confident79 Ų7956.8 Ų56.837%0.36930%0.303SS..Hα-helixtrans-64.1-37.5174.2-174.8177.5-155.600111.5L360 D437 S443 N444L360-E440 HydrophobicContact CD1-CG 4.39Å; L360-E440 VanDerWaalsContact CD1-OE1 3.22Å; L360-E440 WeakPolarHBondContact CD1-OE1 3.28Å; D437-E440 HydrophobicContact CB-CB 3.91Å; D437-E440 PolarHBondContact OD1-N 2.94Å; D437-E440 VanDerWaalsContact OD1-N 3.12Å; E440-S443 PolarHBondContact O-OG 3.41Å; E440-N444 WeakPolarHBondContact CG-ND2 3.29Å; E440-N444 WeakPolarHBondContact O-CB 3.37Å; E440-N444 VanDerWaalsContact O-CG 3.23Å; E440-N444 PolarHBondContact O-N 2.95Å; E440-N444 PolarHBondContact O-ND2 3.35Å
441L81.4Confident80.3Confident2 Ų260.8 Ų60.81%0.0132%0.324CS..Hα-helixtrans-73.7-42.3179.2-71.1175.2000112.7V364 F427 L428 A431 M436 D437 D438 E439 S443 N444 F445V364-L441 HydrophobicContact CG2-CD2 3.96Å; F427-L441 HydrophobicContact CE1-CB 4.26Å; F427-L441 HydrophobicContact CE1-CD1 4.21Å; F427-L441 HydrophobicContact CZ-CD1 4.44Å; L428-L441 HydrophobicContact CD2-CB 4.24Å; A431-L441 HydrophobicContact CB-CD1 3.44Å; A431-L441 VanDerWaalsContact CB-CD1 3.44Å; M436-L441 HydrophobicContact CB-CD1 4.17Å; M436-L441 HydrophobicContact CE-CD1 4.05Å; M436-L441 HydrophobicContact CE-CD2 4.29Å; D437-L441 VanDerWaalsContact O-CG 3.3Å; D437-L441 WeakPolarHBondContact O-CG 3.46Å; D437-L441 PolarHBondContact O-N 2.89Å; D438-L441 PolarHBondContact O-N 3.27Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 3.5Å; L441-S443 VanDerWaalsContact C-N 3.31Å; L441-S443 PolarHBondContact O-N 2.85Å; L441-N444 PolarHBondContact O-N 2.84Å; L441-F445 HydrophobicContact CD2-CD2 3.7Å; L441-F445 HydrophobicContact CD2-CE2 3.63Å; L441-F445 PolarHBondContact O-N 2.97Å
442D82.1Confident78.3Confident92 Ų9264 Ų6449%0.49235%0.35SS..Hα-helixtrans-64.1-37.7179.2-168.847.5000111.7L428 D438 N444L428-D442 HydrophobicContact CD1-CB 4.14Å; L428-D442 HydrophobicContact CD2-CB 4.08Å; D438-D442 WeakPolarHBondContact O-CB 3.45Å; D438-D442 PolarHBondContact O-N 3.34Å; D442-N444 PolarHBondContact O-N 2.9Å
443S80.1Confident75.9Confident67 Ų6761.6 Ų61.647%0.46936%0.36SS..Hα-helixtrans-70.2-29.7176.656.60000113.7E439 E440 L441 I474E439-S443 WeakPolarHBondContact O-CB 3.21Å; E439-S443 PolarHBondContact O-N 2.97Å; E439-S443 VanDerWaalsContact O-N 3.13Å; E439-S443 PolarHBondContact O-OG 3.03Å; E440-S443 PolarHBondContact O-OG 3.41Å; L441-S443 VanDerWaalsContact C-N 3.31Å; L441-S443 PolarHBondContact O-N 2.85Å; S443-I474 WeakPolarHBondContact O-CB 3.45Å
444N81.7Confident73.7Confident11 Ų1163.1 Ų63.16%0.05938%0.378CS..Hα-helixtrans-99-23.5-174-71.1-42.7000114.3Y357 E440 L441 D442 I474 P476Y357-N444 HydrophobicContact CE2-CB 4.26Å; E440-N444 WeakPolarHBondContact CG-ND2 3.29Å; E440-N444 WeakPolarHBondContact O-CB 3.37Å; E440-N444 VanDerWaalsContact O-CG 3.23Å; E440-N444 PolarHBondContact O-N 2.95Å; E440-N444 PolarHBondContact O-ND2 3.35Å; L441-N444 PolarHBondContact O-N 2.84Å; D442-N444 PolarHBondContact O-N 2.9Å; N444-I474 PolarHBondContact O-N 3.38Å; N444-P476 WeakPolarHBondContact OD1-CD 3.44Å; N444-P476 WeakPolarHBondContact OD1-CG 3.28Å
445F83.8Confident71.3Confident5 Ų568.7 Ų68.72%0.02240%0.402CS..EExtended strand (participates in β ladder)trans-134.8129.5-171.3-56.1-66.9000112.2V361 V364 L365 L441 L471 I473V361-F445 HydrophobicContact CG2-CE1 4.29Å; V361-F445 HydrophobicContact CG2-CZ 4.27Å; V364-F445 HydrophobicContact CB-CE2 4.33Å; V364-F445 HydrophobicContact CB-CZ 4.29Å; V364-F445 HydrophobicContact CG1-CD2 4.47Å; V364-F445 HydrophobicContact CG2-CD2 4.47Å; V364-F445 HydrophobicContact CG2-CE2 3.99Å; V364-F445 HydrophobicContact CG2-CZ 4.35Å; L365-F445 HydrophobicContact CD1-CD1 3.78Å; L365-F445 HydrophobicContact CD1-CE1 3.32Å; L365-F445 HydrophobicContact CD1-CZ 4.29Å; L441-F445 HydrophobicContact CD2-CD2 3.7Å; L441-F445 HydrophobicContact CD2-CE2 3.63Å; L441-F445 PolarHBondContact O-N 2.97Å; F445-L471 HydrophobicContact CB-CD1 4.08Å; F445-I473 HydrophobicContact CE1-CG1 4.4Å
446K81.3Confident69.1Low110 Ų11070.3 Ų70.348%0.47840%0.402SS..EExtended strand (participates in β ladder)trans-127.4129.8174.7-179.4171.8-178.8175.30111.4C472 I474K446-C472 PolarHBondContact N-O 2.8Å; K446-C472 PolarHBondContact O-N 3.32Å; K446-I474 HydrophobicContact CB-CD1 3.74Å; K446-I474 HydrophobicContact CB-CG1 4.29Å; K446-I474 HydrophobicContact CD-CD1 4.43Å
447F78.6Confident66.7Low2 Ų276.3 Ų76.31%0.00943%0.434CS..EExtended strand (participates in β ladder)trans-77.9133.9168.3-67.6-83.1000109.9V423 T424 F427 L469 H470 L471 F495V423-F447 HydrophobicContact CG1-CB 3.95Å; V423-F447 HydrophobicContact CG1-CD1 4.05Å; V423-F447 HydrophobicContact CG1-CD2 4Å; V423-F447 HydrophobicContact CG1-CG 3.72Å; T424-F447 HydrophobicContact CG2-CB 4.19Å; T424-F447 HydrophobicContact CG2-CD2 3.97Å; F427-F447 HydrophobicContact CB-CE2 3.66Å; F427-F447 HydrophobicContact CB-CZ 4.27Å; F427-F447 AromaticContact CD1-CE2 3.76Å; F427-F447 HydrophobicContact CD1-CE2 3.76Å; F427-F447 HydrophobicContact CD1-CZ 4.44Å; F427-F447 AromaticContact CD2-CE2 3.91Å; F427-F447 HydrophobicContact CD2-CE2 3.91Å; F427-F447 AromaticContact CD2-CZ 3.84Å; F427-F447 HydrophobicContact CD2-CZ 3.84Å; F427-F447 HydrophobicContact CE1-CE2 4.36Å; F427-F447 HydrophobicContact CE2-CE2 4.5Å; F427-F447 HydrophobicContact CE2-CZ 4.27Å; F427-F447 AromaticContact CG-CE2 3.49Å; F427-F447 HydrophobicContact CG-CE2 3.49Å; F427-F447 VanDerWaalsContact CG-CE2 3.49Å; F427-F447 AromaticContact CG-CZ 3.93Å; F427-F447 HydrophobicContact CG-CZ 3.93Å; F447-L469 HydrophobicContact CB-CD1 4.24Å; F447-L469 HydrophobicContact CD1-CD1 3.86Å; F447-L469 HydrophobicContact CD1-CD2 4.13Å; F447-L469 HydrophobicContact CD1-CG 4.06Å; F447-L469 HydrophobicContact CE1-CD2 4.28Å; F447-L469 HydrophobicContact CG-CD1 4.43Å; F447-H470 WeakPolarHBondContact CA-O 3.11Å; F447-L471 HydrophobicContact CD1-CB 4.49Å; F447-L471 HydrophobicContact CD1-CD1 3.88Å; F447-L471 HydrophobicContact CD2-CD1 4.28Å; F447-L471 HydrophobicContact CE1-CB 4.38Å; F447-L471 HydrophobicContact CE1-CD1 3.7Å; F447-L471 HydrophobicContact CE1-CD2 4.38Å; F447-L471 HydrophobicContact CE1-CG 4.38Å; F447-L471 HydrophobicContact CE2-CD1 4.09Å; F447-L471 HydrophobicContact CG-CD1 4.19Å; F447-L471 HydrophobicContact CZ-CD1 3.81Å; F447-F495 HydrophobicContact CE1-CZ 4.33Å
448S74.3Confident64.9Low27 Ų2782 Ų8219%0.18946%0.455CS..EExtended strand (participates in β ladder)trans-129.7144172.259.30000110.2E420 H470 C472E420-S448 WeakPolarHBondContact OE1-CA 3.22Å; S448-H470 PolarHBondContact N-O 3.34Å; S448-H470 WeakPolarHBondContact O-CA 3.3Å; S448-H470 WeakPolarHBondContact O-CB 3.46Å; S448-H470 PolarHBondContact O-N 3.4Å; S448-H470 WeakPolarHBondContact OG-CB 3.38Å; S448-C472 PolarHBondContact OG-SG 3.3Å; S448-C472 VanDerWaalsContact OG-SG 3.34Å
449I71.6Confident62.7Low9 Ų986.3 Ų86.35%0.04648%0.477CS..EExtended strand (participates in β ladder)trans-119.2110.8-179.6-61172.2000107.4V416 L419 E420 L451 V465 R468 L469V416-I449 HydrophobicContact CG1-CB 3.96Å; V416-I449 HydrophobicContact CG1-CG2 4.28Å; L419-I449 HydrophobicContact CB-CD1 4.17Å; L419-I449 HydrophobicContact CD2-CD1 3.65Å; L419-I449 HydrophobicContact CG-CD1 3.59Å; E420-I449 HydrophobicContact CG-CB 4.18Å; E420-I449 HydrophobicContact CG-CD1 3.93Å; E420-I449 HydrophobicContact CG-CG1 3.89Å; E420-I449 PolarHBondContact OE1-N 2.85Å; I449-L451 PolarHBondContact O-N 2.86Å; I449-V465 HydrophobicContact CD1-CG1 4.4Å; I449-R468 HydrophobicContact CG2-CB 4.35Å; I449-L469 HydrophobicContact CG1-CD1 4.04Å
450K67.9Low60.8Low126 Ų12683.6 Ų83.655%0.54848%0.475SS..  trans-73.2125.8-179.6-70.3-174.8-172.2169.20111.1R468 H470K450-R468 PolarHBondContact N-O 3.18Å; K450-R468 WeakPolarHBondContact O-CD 3.07Å; K450-H470 WeakPolarHBondContact CD-NE2 3.37Å
451L54.4Low59.1Low83 Ų8388.7 Ų88.744%0.43550%0.499SS..  trans-66.8146.7166-88.3113.1000111T411 E413 V416 I449 A453T411-L451 WeakPolarHBondContact O-CD2 3.33Å; E413-L451 HydrophobicContact CG-CD1 4.23Å; V416-L451 HydrophobicContact CB-CD1 4.21Å; V416-L451 HydrophobicContact CG1-CD1 4.22Å; V416-L451 HydrophobicContact CG2-CD1 3.8Å; V416-L451 HydrophobicContact CG2-CG 4.02Å; I449-L451 PolarHBondContact O-N 2.86Å; L451-A453 PolarHBondContact O-N 3.3Å
452A45.4Very low57.6Low67 Ų6793.6 Ų93.655%0.55453%0.525SS*.  trans-61.3116-177.300000111.8
453A39.1Very low56.6Low88 Ų8892.2 Ų92.273%0.72752%0.517SS*.  trans-74.6128.9152.200000107.5L451 Q455L451-A453 PolarHBondContact O-N 3.3Å; A453-Q455 PolarHBondContact O-N 3.44Å
454A41.1Very low55.9Low106 Ų10690.2 Ų90.288%0.87650%0.502SS*.SBendtrans-65.525.1-169.900000116.5
455Q36.1Very low55.1Low186 Ų18689.8 Ų89.887%0.86950%0.5SS*.  trans-140.776.9-175.9-63.3-172.5-200111.9A453A453-Q455 PolarHBondContact O-N 3.44Å
456S38.6Very low54.2Low104 Ų10490.1 Ų90.173%0.72750%0.502SS*.  trans-141.7108.7154.667.50000111.1
457N32.5Very low53.4Low151 Ų15188.2 Ų88.281%0.80750%0.497SS*.  trans-36.8134.8175.7-63.4-38.4000116.7L459N457-L459 VanDerWaalsContact C-N 3.26Å; N457-L459 PolarHBondContact O-N 3.15Å
458K45.1Very low53Low205 Ų20590.7 Ų90.789%0.89151%0.506SS*.SBendtrans4220.3144.7-69-172.3177.5-178.10120.8S460K458-S460 VanDerWaalsContact C-N 3.32Å
459L37.8Very low53.1Low138 Ų13889.4 Ų89.472%0.72350%0.497SS*.  trans-98.270.5154.2-83.6155.9000107.7N457N457-L459 VanDerWaalsContact C-N 3.26Å; N457-L459 PolarHBondContact O-N 3.15Å
460S42.2Very low53.4Low97 Ų9789.5 Ų89.568%0.67850%0.498SS*.  trans-74.1139.1-177.4-57.70000111.4K458K458-S460 VanDerWaalsContact C-N 3.32Å
461E45.7Very low54Low187 Ų18783.6 Ų83.687%0.87447%0.472SS*.SBendtrans99.7-25.5154.7-65.5177.5-173.600121.8
462N50.9Low55.1Low105 Ų10582.3 Ų82.356%0.56147%0.469SS*.  trans-12744.8179.9-68.7-16000114.7T464N462-T464 PolarHBondContact O-N 2.93Å
463I60.5Low56.7Low63 Ų6379.9 Ų79.932%0.32345%0.447SS..  trans-75.6119.7173.7-56173.6000108.8P409 D467 R468P409-I463 WeakPolarHBondContact CD-O 3.49Å; P409-I463 HydrophobicContact CG-CG2 4.41Å; I463-D467 HydrophobicContact CG2-CB 4.15Å; I463-R468 HydrophobicContact CG2-CG 4.46Å
464T65.3Low58.4Low25 Ų2579.6 Ų79.615%0.15343%0.432CS..  trans-99.9161.317961.50000111.5L405 N462 L466 D467 R503L405-T464 WeakPolarHBondContact O-CB 3.31Å; N462-T464 PolarHBondContact O-N 2.93Å; T464-L466 PolarHBondContact O-N 3.1Å; T464-D467 PolarHBondContact N-OD2 3.28Å; T464-D467 PolarHBondContact O-N 3.48Å; T464-D467 PolarHBondContact OG1-OD2 3.21Å; T464-R503 PolarHBondContact OG1-NH1 3.07Å
465V65Low59.9Low2 Ų275.8 Ų75.81%0.01240%0.401CS..G310 helixtrans-50.4-37.7172.3164.50000111.3L405 K407 L419 I449 D467 R468 L469L405-V465 HydrophobicContact CD2-CG1 3.92Å; L405-V465 PolarHBondContact O-N 3.48Å; K407-V465 WeakPolarHBondContact O-CG2 3.11Å; K407-V465 PolarHBondContact O-N 2.61Å; L419-V465 HydrophobicContact CD2-CG1 3.75Å; L419-V465 HydrophobicContact CD2-CG2 3.9Å; I449-V465 HydrophobicContact CD1-CG1 4.4Å; V465-D467 VanDerWaalsContact C-N 3.3Å; V465-D467 PolarHBondContact O-N 2.72Å; V465-R468 CarbonylContact O-C 3.53Å; V465-R468 PolarHBondContact O-N 3.1Å; V465-L469 PolarHBondContact O-N 3.3Å; V465-L469 VanDerWaalsContact O-N 3.13Å
466L64.3Low61.5Low11 Ų1168.7 Ų68.76%0.05837%0.371CS..G310 helixtrans-56.7-41.5178-167102.6000113.3L405 T464 R468 L469 F499L405-L466 HydrophobicContact CB-CB 4.5Å; L405-L466 HydrophobicContact CB-CD1 4.37Å; L405-L466 HydrophobicContact CD1-CD1 3.83Å; L405-L466 PolarHBondContact O-N 2.84Å; T464-L466 PolarHBondContact O-N 3.1Å; L466-R468 PolarHBondContact O-N 3.03Å; L466-L469 PolarHBondContact O-N 3.49Å; L466-L469 VanDerWaalsContact O-N 3.09Å; L466-F499 HydrophobicContact CD1-CD1 3.63Å; L466-F499 HydrophobicContact CD1-CE1 3.17Å; L466-F499 HydrophobicContact CD1-CZ 3.99Å; L466-F499 HydrophobicContact CD2-CD1 4.46Å; L466-F499 HydrophobicContact CG-CD1 4.15Å; L466-F499 HydrophobicContact CG-CE1 4.11Å
467D65.3Low62.6Low70 Ų7067.6 Ų67.637%0.37436%0.361SS..G310 helixtrans-64.8-14.4-178-58.9-49.8000111.2I463 T464 V465 R496I463-D467 HydrophobicContact CG2-CB 4.15Å; T464-D467 PolarHBondContact N-OD2 3.28Å; T464-D467 PolarHBondContact O-N 3.48Å; T464-D467 PolarHBondContact OG1-OD2 3.21Å; V465-D467 VanDerWaalsContact C-N 3.3Å; V465-D467 PolarHBondContact O-N 2.72Å; D467-R496 PolarHBondContact O-NH2 3.5Å
468R69.9Low64.3Low54 Ų5462.8 Ų62.820%0.20434%0.337CS..G310 helixtrans-114.42178.6-57.3-162.9-179.7146.54.6114.1I449 K450 I463 V465 L466 H470I449-R468 HydrophobicContact CG2-CB 4.35Å; K450-R468 PolarHBondContact N-O 3.18Å; K450-R468 WeakPolarHBondContact O-CD 3.07Å; I463-R468 HydrophobicContact CG2-CG 4.46Å; V465-R468 CarbonylContact O-C 3.53Å; V465-R468 PolarHBondContact O-N 3.1Å; L466-R468 PolarHBondContact O-N 3.03Å; R468-H470 PolarHBondContact O-CD2 2.9Å; R468-H470 VanDerWaalsContact O-CD2 3.25Å; R468-H470 PolarHBondContact O-N 2.98Å
469L77Confident65.6Low1 Ų153.5 Ų53.51%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-73.4123174.6-171.470.7000109.4V423 F447 I449 V465 L466 R496 F499V423-L469 HydrophobicContact CG1-CD1 4.1Å; F447-L469 HydrophobicContact CB-CD1 4.24Å; F447-L469 HydrophobicContact CD1-CD1 3.86Å; F447-L469 HydrophobicContact CD1-CD2 4.13Å; F447-L469 HydrophobicContact CD1-CG 4.06Å; F447-L469 HydrophobicContact CE1-CD2 4.28Å; F447-L469 HydrophobicContact CG-CD1 4.43Å; I449-L469 HydrophobicContact CG1-CD1 4.04Å; V465-L469 PolarHBondContact O-N 3.3Å; V465-L469 VanDerWaalsContact O-N 3.13Å; L466-L469 PolarHBondContact O-N 3.49Å; L466-L469 VanDerWaalsContact O-N 3.09Å; L469-R496 WeakPolarHBondContact O-CD 3.21Å; L469-R496 WeakPolarHBondContact O-CG 3.32Å; L469-F499 HydrophobicContact CD2-CE1 3.87Å
470H77.5Confident67Low11 Ų1152.8 Ų52.85%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-116.4142.6174.4-73.7-88.3000109.5F447 S448 K450 R468 D492 R496F447-H470 WeakPolarHBondContact CA-O 3.11Å; S448-H470 PolarHBondContact N-O 3.34Å; S448-H470 WeakPolarHBondContact O-CA 3.3Å; S448-H470 WeakPolarHBondContact O-CB 3.46Å; S448-H470 PolarHBondContact O-N 3.4Å; S448-H470 WeakPolarHBondContact OG-CB 3.38Å; K450-H470 WeakPolarHBondContact CD-NE2 3.37Å; R468-H470 PolarHBondContact O-CD2 2.9Å; R468-H470 VanDerWaalsContact O-CD2 3.25Å; R468-H470 PolarHBondContact O-N 2.98Å; H470-D492 VanDerWaalsContact CA-OD1 3.31Å; H470-D492 WeakPolarHBondContact CA-OD1 3.47Å; H470-D492 WeakPolarHBondContact CB-OD1 3.28Å; H470-D492 IonicContact CE1-OD2 2.74Å; H470-D492 PolarHBondContact CE1-OD2 3.26Å; H470-D492 IonicContact CG-OD1 2.78Å; H470-D492 IonicContact CG-OD2 2.7Å; H470-D492 VanDerWaalsContact ND1-CG 3.29Å; H470-D492 IonicContact ND1-OD1 3.42Å; H470-D492 PolarHBondContact ND1-OD1 3.43Å; H470-D492 VanDerWaalsContact ND1-OD1 3.14Å; H470-D492 IonicContact ND1-OD2 3.17Å; H470-D492 PolarHBondContact ND1-OD2 2.98Å; H470-R496 PolarHBondContact CE1-NH1 2.98Å
471L81.2Confident68.4Low1 Ų153.2 Ų53.21%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-112.3108.7173.9-176.756.3000108.5V364 L365 F445 F447 D492 F495V364-L471 HydrophobicContact CG1-CD2 3.92Å; L365-L471 HydrophobicContact CD1-CD2 4.49Å; L365-L471 HydrophobicContact CD2-CB 4.27Å; L365-L471 HydrophobicContact CD2-CD2 4Å; L365-L471 HydrophobicContact CD2-CG 3.99Å; L365-L471 HydrophobicContact CG-CD2 3.7Å; L365-L471 HydrophobicContact CG-CG 4.17Å; F445-L471 HydrophobicContact CB-CD1 4.08Å; F447-L471 HydrophobicContact CD1-CB 4.49Å; F447-L471 HydrophobicContact CD1-CD1 3.88Å; F447-L471 HydrophobicContact CD2-CD1 4.28Å; F447-L471 HydrophobicContact CE1-CB 4.38Å; F447-L471 HydrophobicContact CE1-CD1 3.7Å; F447-L471 HydrophobicContact CE1-CD2 4.38Å; F447-L471 HydrophobicContact CE1-CG 4.38Å; F447-L471 HydrophobicContact CE2-CD1 4.09Å; F447-L471 HydrophobicContact CG-CD1 4.19Å; F447-L471 HydrophobicContact CZ-CD1 3.81Å; L471-D492 PolarHBondContact N-OD1 3.34Å; L471-D492 VanDerWaalsContact N-OD1 3.11Å; L471-F495 HydrophobicContact CB-CD1 3.74Å; L471-F495 HydrophobicContact CB-CE1 3.82Å; L471-F495 HydrophobicContact CB-CG 4.24Å; L471-F495 HydrophobicContact CB-CZ 4.36Å; L471-F495 HydrophobicContact CD2-CD1 4.48Å; L471-F495 HydrophobicContact CD2-CD2 4.07Å; L471-F495 HydrophobicContact CD2-CE1 4.4Å; L471-F495 HydrophobicContact CD2-CE2 3.98Å; L471-F495 HydrophobicContact CD2-CG 4.33Å; L471-F495 HydrophobicContact CD2-CZ 4.16Å
472C77.1Confident69.7Low56 Ų5644.5 Ų44.538%0.37824%0.236SC..EExtended strand (participates in β ladder)trans-93.5129-179.8-67.90000110.1K446 S448K446-C472 PolarHBondContact N-O 2.8Å; K446-C472 PolarHBondContact O-N 3.32Å; S448-C472 PolarHBondContact OG-SG 3.3Å; S448-C472 VanDerWaalsContact OG-SG 3.34Å
473I79.2Confident71.1Confident17 Ų1739.8 Ų39.89%0.08721%0.211CC..EExtended strand (participates in β ladder)trans-80.5119.8170.1-56.1172.5000107.5Y357 V361 L365 F445 A475 F483 Y491Y357-I473 WeakPolarHBondContact OH-CG2 3.45Å; V361-I473 HydrophobicContact CG1-CD1 4.33Å; L365-I473 HydrophobicContact CD1-CD1 3.77Å; L365-I473 HydrophobicContact CD1-CG1 3.58Å; L365-I473 HydrophobicContact CD2-CD1 4.18Å; L365-I473 HydrophobicContact CD2-CG1 3.98Å; L365-I473 HydrophobicContact CG-CG1 4.45Å; F445-I473 HydrophobicContact CE1-CG1 4.4Å; I473-A475 PolarHBondContact O-N 2.98Å; I473-F483 HydrophobicContact CD1-CD1 4.21Å; I473-F483 HydrophobicContact CD1-CE1 4.29Å; I473-F483 HydrophobicContact CG2-CD1 4.42Å; I473-Y491 HydrophobicContact CD1-CD2 3.8Å; I473-Y491 HydrophobicContact CD1-CG 4.17Å
474I74.5Confident72Confident81 Ų8138.2 Ų38.242%0.41521%0.205SC..  trans-91.793.6165.8-58.8175000105.2S443 N444 K446 P476S443-I474 WeakPolarHBondContact O-CB 3.45Å; N444-I474 PolarHBondContact O-N 3.38Å; K446-I474 HydrophobicContact CB-CD1 3.74Å; K446-I474 HydrophobicContact CB-CG1 4.29Å; K446-I474 HydrophobicContact CD-CD1 4.43Å; I474-P476 WeakPolarHBondContact O-CD 3.38Å
475A71.4Confident72.7Confident27 Ų2741.1 Ų41.122%0.22323%0.225CC..  trans-71.2129.9-179.900000109.7I473 F479 F483I473-A475 PolarHBondContact O-N 2.98Å; A475-F479 HydrophobicContact CB-CB 4.37Å; A475-F483 HydrophobicContact CB-CB 3.76Å; A475-F483 HydrophobicContact CB-CG 4.3Å
476P70.6Confident73.6Confident37 Ų3745.7 Ų45.724%0.2425%0.249CC..  trans-49.1149.9166.1-29.133.4000111.5Y357 N444 I474 V478 F479 E480Y357-P476 HydrophobicContact CE2-CG 4.34Å; N444-P476 WeakPolarHBondContact OD1-CD 3.44Å; N444-P476 WeakPolarHBondContact OD1-CG 3.28Å; I474-P476 WeakPolarHBondContact O-CD 3.38Å; P476-V478 PolarHBondContact O-N 2.93Å; P476-F479 HydrophobicContact CB-CD2 3.85Å; P476-F479 HydrophobicContact CB-CE2 4.46Å; P476-F479 HydrophobicContact CG-CD2 3.75Å; P476-F479 HydrophobicContact CG-CE2 4.25Å; P476-F479 WeakPolarHBondContact O-CA 3.2Å; P476-F479 PolarHBondContact O-N 2.83Å; P476-E480 PolarHBondContact O-N 3.3Å; P476-E480 VanDerWaalsContact O-N 3.15Å
477P62.7Low74.6Confident81 Ų8145.4 Ų45.453%0.52625%0.247SC..THydrogen-bonded Turntrans-61-18-171.524.6-35.5000114.3K246K246-P477 PolarHBondContact NZ-O 2.72Å
478V66.7Low75.6Confident50 Ų5043.3 Ų43.330%0.30324%0.238SC..THydrogen-bonded Turntrans-76.8-38.1175.3-176.80000110.7L348 H352 P476L348-V478 HydrophobicContact CD1-CG1 3.77Å; H352-V478 HydrophobicContact CB-CG1 4.32Å; H352-V478 WeakPolarHBondContact CD2-CG1 3.45Å; H352-V478 WeakPolarHBondContact CE1-CG2 3.49Å; H352-V478 WeakPolarHBondContact NE2-CG1 3.38Å; P476-V478 PolarHBondContact O-N 2.93Å
479F72.2Confident76.3Confident9 Ų946.7 Ų46.74%0.03925%0.25CS..THydrogen-bonded Turntrans-89.3-9.5-176.9-62-46.6000113.4L348 H352 L354 Y357 A475 P476 R481 L482 F483L348-F479 HydrophobicContact CD1-CD1 3.69Å; L348-F479 HydrophobicContact CD1-CE1 3.57Å; L348-F479 HydrophobicContact CG-CE1 4.45Å; H352-F479 HydrophobicContact CB-CE1 3.87Å; H352-F479 HydrophobicContact CB-CZ 3.61Å; H352-F479 WeakPolarHBondContact O-CZ 3.3Å; L354-F479 HydrophobicContact CB-CE1 3.92Å; L354-F479 HydrophobicContact CB-CZ 4.42Å; L354-F479 HydrophobicContact CD1-CD1 3.71Å; L354-F479 HydrophobicContact CD1-CE1 3.48Å; L354-F479 VanDerWaalsContact CD1-CE1 3.48Å; L354-F479 HydrophobicContact CD1-CZ 4.25Å; L354-F479 HydrophobicContact CG-CE1 4.3Å; Y357-F479 AromaticContact CD1-CD2 3.88Å; Y357-F479 HydrophobicContact CD1-CD2 3.88Å; Y357-F479 HydrophobicContact CD1-CE2 4Å; Y357-F479 HydrophobicContact CD1-CG 4.33Å; Y357-F479 HydrophobicContact CD2-CD2 4.26Å; Y357-F479 HydrophobicContact CD2-CE2 4.04Å; Y357-F479 HydrophobicContact CE1-CD2 4.04Å; Y357-F479 HydrophobicContact CE1-CG 4.43Å; Y357-F479 HydrophobicContact CE2-CD2 4.41Å; Y357-F479 AromaticContact CG-CD2 3.99Å; Y357-F479 HydrophobicContact CG-CD2 3.99Å; Y357-F479 AromaticContact CG-CE2 3.7Å; Y357-F479 HydrophobicContact CG-CE2 3.7Å; Y357-F479 HydrophobicContact CG-CZ 4.3Å; A475-F479 HydrophobicContact CB-CB 4.37Å; P476-F479 HydrophobicContact CB-CD2 3.85Å; P476-F479 HydrophobicContact CB-CE2 4.46Å; P476-F479 HydrophobicContact CG-CD2 3.75Å; P476-F479 HydrophobicContact CG-CE2 4.25Å; P476-F479 WeakPolarHBondContact O-CA 3.2Å; P476-F479 PolarHBondContact O-N 2.83Å; F479-R481 PolarHBondContact O-N 2.91Å; F479-R481 VanDerWaalsContact O-N 3.1Å; F479-L482 CarbonylContact O-C 3.58Å; F479-L482 WeakPolarHBondContact O-CA 3.28Å; F479-L482 PolarHBondContact O-N 3.39Å; F479-F483 HydrophobicContact CB-CD2 3.9Å; F479-F483 HydrophobicContact CB-CE2 4.34Å; F479-F483 PolarHBondContact O-N 3.32Å
480E67.8Low76.7Confident123 Ų12347.1 Ų47.158%0.57525%0.254SS*.THydrogen-bonded Turntrans-52.8-34.5178.8-168.6179.1-176.900112.5P476 L482 F483P476-E480 PolarHBondContact O-N 3.3Å; P476-E480 VanDerWaalsContact O-N 3.15Å; E480-L482 PolarHBondContact O-N 3.44Å; E480-F483 CarbonylContact O-C 3.35Å
481R71.7Confident77.3Confident107 Ų10746.7 Ų46.740%0.40425%0.252SS..THydrogen-bonded Turntrans-67.7-33.5175.6-164.8-175.5-73.5-168.5-4.2112.8F479 Q594F479-R481 PolarHBondContact O-N 2.91Å; F479-R481 VanDerWaalsContact O-N 3.1Å; R481-Q594 PolarHBondContact O-NE2 3.15Å
482L72.8Confident77.5Confident3 Ų347.4 Ų47.42%0.01626%0.256CS..THydrogen-bonded Turntrans-83.3-38.1175.9-69.1-172.7000112L348 L354 F479 E480 S484 I487 I590 I593 Q594L348-L482 HydrophobicContact CD2-CD1 3.68Å; L348-L482 HydrophobicContact CD2-CG 4.23Å; L348-L482 HydrophobicContact CG-CD1 4.46Å; L354-L482 HydrophobicContact CD1-CD1 3.56Å; L354-L482 HydrophobicContact CD2-CD1 3.58Å; L354-L482 HydrophobicContact CG-CD1 4.23Å; F479-L482 CarbonylContact O-C 3.58Å; F479-L482 WeakPolarHBondContact O-CA 3.28Å; F479-L482 PolarHBondContact O-N 3.39Å; E480-L482 PolarHBondContact O-N 3.44Å; L482-S484 PolarHBondContact O-N 3.07Å; L482-I487 WeakPolarHBondContact O-CD1 3.29Å; L482-I590 HydrophobicContact CD2-CG2 4.01Å; L482-I593 HydrophobicContact CD1-CG2 4.38Å; L482-I593 HydrophobicContact CD2-CG2 4.08Å; L482-Q594 HydrophobicContact CD2-CG 3.44Å; L482-Q594 VanDerWaalsContact CD2-CG 3.44Å
483F80.9Confident78Confident7 Ų751.3 Ų51.33%0.03126%0.263CS..SBendtrans-96.671.1-177-73.3-94.8000110.7Y357 I358 V361 I473 A475 F479 E480 I487 Y491Y357-F483 AromaticContact CD1-CE2 3.74Å; Y357-F483 HydrophobicContact CD1-CE2 3.74Å; Y357-F483 AromaticContact CD1-CZ 3.83Å; Y357-F483 HydrophobicContact CD1-CZ 3.83Å; Y357-F483 AromaticContact CE1-CD2 3.99Å; Y357-F483 HydrophobicContact CE1-CD2 3.99Å; Y357-F483 HydrophobicContact CE1-CE1 4.1Å; Y357-F483 AromaticContact CE1-CE2 3.38Å; Y357-F483 HydrophobicContact CE1-CE2 3.38Å; Y357-F483 AromaticContact CE1-CZ 3.43Å; Y357-F483 HydrophobicContact CE1-CZ 3.43Å; Y357-F483 VanDerWaalsContact CE1-CZ 3.43Å; I358-F483 HydrophobicContact CG1-CZ 4.47Å; V361-F483 HydrophobicContact CG2-CE1 4.22Å; V361-F483 HydrophobicContact CG2-CZ 4.29Å; I473-F483 HydrophobicContact CD1-CD1 4.21Å; I473-F483 HydrophobicContact CD1-CE1 4.29Å; I473-F483 HydrophobicContact CG2-CD1 4.42Å; A475-F483 HydrophobicContact CB-CB 3.76Å; A475-F483 HydrophobicContact CB-CG 4.3Å; F479-F483 HydrophobicContact CB-CD2 3.9Å; F479-F483 HydrophobicContact CB-CE2 4.34Å; F479-F483 PolarHBondContact O-N 3.32Å; E480-F483 CarbonylContact O-C 3.35Å; F483-I487 HydrophobicContact CD1-CG2 3.96Å; F483-I487 HydrophobicContact CE1-CG2 4.47Å; F483-Y491 AromaticContact CE1-CE2 3.96Å; F483-Y491 HydrophobicContact CE1-CE2 3.96Å
484S80Confident78.5Confident29 Ų2950.7 Ų50.720%0.20326%0.26CS..  trans-58.3154.6171.779.10000110.9L482 N486 I487 C488L482-S484 PolarHBondContact O-N 3.07Å; S484-N486 PolarHBondContact O-N 2.72Å; S484-I487 WeakPolarHBondContact O-CB 3.47Å; S484-I487 PolarHBondContact O-N 3.02Å; S484-I487 WeakPolarHBondContact OG-CG1 3.49Å; S484-I487 PolarHBondContact OG-N 3.25Å; S484-C488 PolarHBondContact O-N 2.98Å
485P79Confident79.2Confident87 Ų8746.9 Ų46.957%0.56524%0.24SC*.Hα-helixtrans-60.2-21.9177.224.8-35.6000112.7R489P485-R489 WeakPolarHBondContact O-CB 3.36Å; P485-R489 VanDerWaalsContact O-CG 3.29Å; P485-R489 WeakPolarHBondContact O-CG 3.49Å; P485-R489 PolarHBondContact O-N 3.47Å; P485-R489 VanDerWaalsContact O-N 3.16Å; P485-R489 PolarHBondContact O-NE 2.83Å
486N83.2Confident79.9Confident97 Ų9750 Ų5052%0.51925%0.246SC..Hα-helixtrans-71.3-42.6174.1-65-25.1000111.6S484 R489 A490S484-N486 PolarHBondContact O-N 2.72Å; N486-R489 PolarHBondContact O-N 3.35Å; N486-R489 VanDerWaalsContact OD1-CZ 3.25Å; N486-R489 PolarHBondContact OD1-NH1 2.78Å; N486-R489 PolarHBondContact OD1-NH2 3.05Å; N486-A490 PolarHBondContact O-N 3.01Å
487I85.5Confident80.8Confident6 Ų648.6 Ų48.63%0.03124%0.236CC..Hα-helixtrans-64-46.4176.2-76168.2000110.6L482 F483 S484 R489 A490 Y491 Q597 E598 L601L482-I487 WeakPolarHBondContact O-CD1 3.29Å; F483-I487 HydrophobicContact CD1-CG2 3.96Å; F483-I487 HydrophobicContact CE1-CG2 4.47Å; S484-I487 WeakPolarHBondContact O-CB 3.47Å; S484-I487 PolarHBondContact O-N 3.02Å; S484-I487 WeakPolarHBondContact OG-CG1 3.49Å; S484-I487 PolarHBondContact OG-N 3.25Å; I487-R489 VanDerWaalsContact C-N 3.33Å; I487-R489 PolarHBondContact O-N 3.01Å; I487-A490 WeakPolarHBondContact O-CB 3.38Å; I487-A490 PolarHBondContact O-N 3.32Å; I487-Y491 HydrophobicContact CG2-CD2 3.91Å; I487-Y491 HydrophobicContact CG2-CE2 3.71Å; I487-Y491 WeakPolarHBondContact O-CD2 3.31Å; I487-Y491 PolarHBondContact O-N 2.69Å; I487-Q597 HydrophobicContact CD1-CG 4.45Å; I487-E598 HydrophobicContact CD1-CG 3.95Å; I487-E598 HydrophobicContact CG1-CG 4.27Å; I487-L601 HydrophobicContact CB-CD1 4.1Å; I487-L601 HydrophobicContact CG1-CD1 3.98Å; I487-L601 HydrophobicContact CG2-CD1 3.67Å
488C85.9Confident82Confident26 Ų2645.1 Ų45.118%0.17621%0.213CC..Hα-helixtrans-60.6-42.3177-61.90000111.8S484 A490 Y491 D492S484-C488 PolarHBondContact O-N 2.98Å; C488-A490 VanDerWaalsContact C-N 3.28Å; C488-A490 PolarHBondContact O-N 3.39Å; C488-Y491 PolarHBondContact O-N 2.89Å; C488-D492 PolarHBondContact O-N 2.96Å
489R85.6Confident83Confident124 Ų12442.9 Ų42.947%0.46820%0.199SC..Hα-helixtrans-64.1-31.3174-78.1-174.6-104.1112.4-3.6112.9P485 N486 I487 R493P485-R489 WeakPolarHBondContact O-CB 3.36Å; P485-R489 VanDerWaalsContact O-CG 3.29Å; P485-R489 WeakPolarHBondContact O-CG 3.49Å; P485-R489 PolarHBondContact O-N 3.47Å; P485-R489 VanDerWaalsContact O-N 3.16Å; P485-R489 PolarHBondContact O-NE 2.83Å; N486-R489 PolarHBondContact O-N 3.35Å; N486-R489 VanDerWaalsContact OD1-CZ 3.25Å; N486-R489 PolarHBondContact OD1-NH1 2.78Å; N486-R489 PolarHBondContact OD1-NH2 3.05Å; I487-R489 VanDerWaalsContact C-N 3.33Å; I487-R489 PolarHBondContact O-N 3.01Å; R489-R493 VanDerWaalsContact O-CG 3.28Å; R489-R493 WeakPolarHBondContact O-CG 3.46Å; R489-R493 PolarHBondContact O-N 3.13Å
490A85.9Confident83.7Confident10 Ų1043.2 Ų43.28%0.08320%0.204CC..Hα-helixtrans-71-43.5177.800000111.9N486 I487 C488 R493 L494 L601 Q605N486-A490 PolarHBondContact O-N 3.01Å; I487-A490 WeakPolarHBondContact O-CB 3.38Å; I487-A490 PolarHBondContact O-N 3.32Å; C488-A490 VanDerWaalsContact C-N 3.28Å; C488-A490 PolarHBondContact O-N 3.39Å; A490-R493 PolarHBondContact O-N 3.3Å; A490-L494 PolarHBondContact O-N 3.44Å; A490-L601 HydrophobicContact CB-CD1 4.33Å; A490-L601 HydrophobicContact CB-CD2 4.46Å; A490-Q605 VanDerWaalsContact CA-NE2 3.34Å; A490-Q605 PolarHBondContact O-NE2 2.96Å
491Y89.9Confident84.7Confident3 Ų337.5 Ų37.51%0.01218%0.177CC..Hα-helixtrans-62.9-44.4173.7-78.5-68000112.4V361 L366 I473 F483 I487 C488 R493 L494 F495 L601V361-Y491 HydrophobicContact CG1-CD1 4.11Å; V361-Y491 HydrophobicContact CG1-CD2 4.41Å; V361-Y491 HydrophobicContact CG1-CE1 3.79Å; V361-Y491 HydrophobicContact CG1-CE2 4.09Å; V361-Y491 HydrophobicContact CG1-CG 4.43Å; L366-Y491 HydrophobicContact CD1-CE1 4.4Å; L366-Y491 HydrophobicContact CD2-CD1 4.2Å; L366-Y491 HydrophobicContact CG-CD1 4.49Å; L366-Y491 HydrophobicContact CG-CE1 4.48Å; I473-Y491 HydrophobicContact CD1-CD2 3.8Å; I473-Y491 HydrophobicContact CD1-CG 4.17Å; F483-Y491 AromaticContact CE1-CE2 3.96Å; F483-Y491 HydrophobicContact CE1-CE2 3.96Å; I487-Y491 HydrophobicContact CG2-CD2 3.91Å; I487-Y491 HydrophobicContact CG2-CE2 3.71Å; I487-Y491 WeakPolarHBondContact O-CD2 3.31Å; I487-Y491 PolarHBondContact O-N 2.69Å; C488-Y491 PolarHBondContact O-N 2.89Å; Y491-R493 VanDerWaalsContact C-N 3.29Å; Y491-R493 PolarHBondContact O-N 3.43Å; Y491-L494 WeakPolarHBondContact O-CB 3.35Å; Y491-L494 PolarHBondContact O-N 3.22Å; Y491-L494 VanDerWaalsContact O-N 3.08Å; Y491-F495 WeakPolarHBondContact O-CB 3.32Å; Y491-F495 PolarHBondContact O-N 3.41Å; Y491-L601 HydrophobicContact CD1-CD2 3.79Å; Y491-L601 HydrophobicContact CD2-CD1 4.11Å; Y491-L601 HydrophobicContact CD2-CD2 4.17Å; Y491-L601 HydrophobicContact CE1-CD2 3.56Å; Y491-L601 HydrophobicContact CE2-CD1 3.71Å; Y491-L601 HydrophobicContact CE2-CD2 3.98Å; Y491-L601 HydrophobicContact CE2-CG 4.31Å; Y491-L601 HydrophobicContact CG-CD2 4.07Å
492D85.7Confident85.5Confident16 Ų1633.8 Ų33.89%0.08616%0.163CC..Hα-helixtrans-58-40176.7172.368.1000112.4H470 L471 C488 L494 F495 R496H470-D492 VanDerWaalsContact CA-OD1 3.31Å; H470-D492 WeakPolarHBondContact CA-OD1 3.47Å; H470-D492 WeakPolarHBondContact CB-OD1 3.28Å; H470-D492 IonicContact CE1-OD2 2.74Å; H470-D492 PolarHBondContact CE1-OD2 3.26Å; H470-D492 IonicContact CG-OD1 2.78Å; H470-D492 IonicContact CG-OD2 2.7Å; H470-D492 VanDerWaalsContact ND1-CG 3.29Å; H470-D492 IonicContact ND1-OD1 3.42Å; H470-D492 PolarHBondContact ND1-OD1 3.43Å; H470-D492 VanDerWaalsContact ND1-OD1 3.14Å; H470-D492 IonicContact ND1-OD2 3.17Å; H470-D492 PolarHBondContact ND1-OD2 2.98Å; L471-D492 PolarHBondContact N-OD1 3.34Å; L471-D492 VanDerWaalsContact N-OD1 3.11Å; C488-D492 PolarHBondContact O-N 2.96Å; D492-L494 PolarHBondContact O-N 2.91Å; D492-F495 PolarHBondContact O-N 3.31Å; D492-R496 VanDerWaalsContact O-CG 3.31Å; D492-R496 WeakPolarHBondContact O-CG 3.36Å; D492-R496 PolarHBondContact O-N 2.76Å
493R86.9Confident86Confident138 Ų13834.9 Ų34.952%0.52117%0.167SC..Hα-helixtrans-63-40.8174.9-73.4171-175.9174.21.7112.5R489 A490 Y491 F497R489-R493 VanDerWaalsContact O-CG 3.28Å; R489-R493 WeakPolarHBondContact O-CG 3.46Å; R489-R493 PolarHBondContact O-N 3.13Å; A490-R493 PolarHBondContact O-N 3.3Å; Y491-R493 VanDerWaalsContact C-N 3.29Å; Y491-R493 PolarHBondContact O-N 3.43Å; R493-F497 PolarHBondContact O-N 2.96Å
494L88.8Confident86.3Confident4 Ų434.7 Ų34.72%0.02117%0.167CC..Hα-helixtrans-67.5-47.7176.9-74163.2000110.6L366 A490 Y491 D492 R496 F497 L498 L601 L604 Q605 A608 L610L366-L494 HydrophobicContact CD2-CB 3.99Å; L366-L494 HydrophobicContact CD2-CD1 4.1Å; A490-L494 PolarHBondContact O-N 3.44Å; Y491-L494 WeakPolarHBondContact O-CB 3.35Å; Y491-L494 PolarHBondContact O-N 3.22Å; Y491-L494 VanDerWaalsContact O-N 3.08Å; D492-L494 PolarHBondContact O-N 2.91Å; L494-R496 PolarHBondContact O-N 2.73Å; L494-F497 PolarHBondContact O-N 3.2Å; L494-L498 WeakPolarHBondContact O-CB 3.23Å; L494-L498 VanDerWaalsContact O-CG 3.29Å; L494-L498 WeakPolarHBondContact O-CG 3.49Å; L494-L498 PolarHBondContact O-N 3.06Å; L494-L601 HydrophobicContact CD1-CD2 3.96Å; L494-L604 HydrophobicContact CD1-CB 3.94Å; L494-L604 HydrophobicContact CD1-CD1 4.04Å; L494-L604 HydrophobicContact CD2-CB 4.31Å; L494-Q605 HydrophobicContact CD1-CG 4.21Å; L494-Q605 HydrophobicContact CD2-CG 4.22Å; L494-Q605 HydrophobicContact CG-CG 4.14Å; L494-A608 HydrophobicContact CD2-CB 4.03Å; L494-L610 HydrophobicContact CD2-CD1 3.59Å; L494-L610 HydrophobicContact CG-CD1 4.09Å
495F90Very high86.7Confident0 Ų033.9 Ų33.90%016%0.16CC..Hα-helixtrans-52.5-53.3176.7172.4-104.9000111.3L365 L367 F373 F447 L471 Y491 D492 F497 L498 F499L365-F495 HydrophobicContact CD2-CB 4.48Å; L365-F495 WeakPolarHBondContact O-CA 3.4Å; L365-F495 WeakPolarHBondContact O-CB 3.36Å; L365-F495 WeakPolarHBondContact O-CD2 3.48Å; L367-F495 HydrophobicContact CD2-CD2 4.24Å; L367-F495 HydrophobicContact CD2-CE2 3.94Å; F373-F495 AromaticContact CE1-CE2 3.73Å; F373-F495 HydrophobicContact CE1-CE2 3.73Å; F373-F495 HydrophobicContact CE1-CZ 4.28Å; F373-F495 HydrophobicContact CZ-CE2 4.02Å; F447-F495 HydrophobicContact CE1-CZ 4.33Å; L471-F495 HydrophobicContact CB-CD1 3.74Å; L471-F495 HydrophobicContact CB-CE1 3.82Å; L471-F495 HydrophobicContact CB-CG 4.24Å; L471-F495 HydrophobicContact CB-CZ 4.36Å; L471-F495 HydrophobicContact CD2-CD1 4.48Å; L471-F495 HydrophobicContact CD2-CD2 4.07Å; L471-F495 HydrophobicContact CD2-CE1 4.4Å; L471-F495 HydrophobicContact CD2-CE2 3.98Å; L471-F495 HydrophobicContact CD2-CG 4.33Å; L471-F495 HydrophobicContact CD2-CZ 4.16Å; Y491-F495 WeakPolarHBondContact O-CB 3.32Å; Y491-F495 PolarHBondContact O-N 3.41Å; D492-F495 PolarHBondContact O-N 3.31Å; F495-F497 VanDerWaalsContact C-N 3.28Å; F495-F497 PolarHBondContact O-N 2.86Å; F495-L498 PolarHBondContact O-N 3.38Å; F495-F499 HydrophobicContact CE1-CB 4.48Å; F495-F499 HydrophobicContact CE1-CD1 4.36Å; F495-F499 HydrophobicContact CE1-CG 4.49Å; F495-F499 HydrophobicContact CE2-CB 4.29Å; F495-F499 HydrophobicContact CE2-CD2 4.45Å; F495-F499 HydrophobicContact CE2-CG 4.34Å; F495-F499 HydrophobicContact CZ-CB 4.23Å; F495-F499 HydrophobicContact CZ-CD1 4.13Å; F495-F499 HydrophobicContact CZ-CD2 4.34Å; F495-F499 HydrophobicContact CZ-CG 4Å; F495-F499 WeakPolarHBondContact O-CB 3.17Å; F495-F499 PolarHBondContact O-N 3.41Å
496R86.8Confident87Confident92 Ų9230.4 Ų30.435%0.34714%0.136SC..Hα-helixtrans-59.8-38.6-178.4-70.8173.470.4-153.44.3112.8D467 L469 H470 D492 L494 A500D467-R496 PolarHBondContact O-NH2 3.5Å; L469-R496 WeakPolarHBondContact O-CD 3.21Å; L469-R496 WeakPolarHBondContact O-CG 3.32Å; H470-R496 PolarHBondContact CE1-NH1 2.98Å; D492-R496 VanDerWaalsContact O-CG 3.31Å; D492-R496 WeakPolarHBondContact O-CG 3.36Å; D492-R496 PolarHBondContact O-N 2.76Å; L494-R496 PolarHBondContact O-N 2.73Å; R496-A500 WeakPolarHBondContact O-CB 3.43Å; R496-A500 PolarHBondContact O-N 3.36Å; R496-A500 VanDerWaalsContact O-N 3.15Å
497F88.2Confident87.1Confident9 Ų926.9 Ų26.94%0.03912%0.116CC..Hα-helixtrans-69.1-48.7177.6-179.7-113.6000112R493 L494 F495 F499 A500 I501 L568 A608 L610 I619R493-F497 PolarHBondContact O-N 2.96Å; L494-F497 PolarHBondContact O-N 3.2Å; F495-F497 VanDerWaalsContact C-N 3.28Å; F495-F497 PolarHBondContact O-N 2.86Å; F497-F499 VanDerWaalsContact C-N 3.32Å; F497-F499 PolarHBondContact O-N 2.96Å; F497-A500 PolarHBondContact O-N 3.28Å; F497-I501 HydrophobicContact CD1-CD1 4.17Å; F497-I501 HydrophobicContact CE1-CD1 3.75Å; F497-I501 HydrophobicContact CE2-CD1 4.26Å; F497-I501 HydrophobicContact CZ-CD1 3.81Å; F497-I501 WeakPolarHBondContact O-CG1 3.25Å; F497-I501 PolarHBondContact O-N 3.14Å; F497-L568 HydrophobicContact CE1-CD1 3.85Å; F497-L568 HydrophobicContact CE1-CD2 4.41Å; F497-A608 WeakPolarHBondContact CE1-O 3.33Å; F497-L610 HydrophobicContact CB-CD2 3.83Å; F497-L610 HydrophobicContact CD1-CD2 3.9Å; F497-L610 HydrophobicContact CD2-CD2 3.96Å; F497-L610 HydrophobicContact CE1-CD2 4.43Å; F497-L610 HydrophobicContact CG-CD2 3.62Å; F497-I619 HydrophobicContact CE2-CG2 4.06Å; F497-I619 HydrophobicContact CZ-CD1 4.17Å; F497-I619 HydrophobicContact CZ-CG2 4.16Å
498L89.3Confident87.2Confident7 Ų726.6 Ų26.64%0.03712%0.115CC..Hα-helixtrans-64.8-38.3179-65.9168.9000111.6L366 L367 L494 F495 I501 R502 L568 I573L366-L498 HydrophobicContact CB-CD1 4.46Å; L366-L498 HydrophobicContact CD2-CD1 4.22Å; L367-L498 VanDerWaalsContact CD1-C 3.42Å; L367-L498 HydrophobicContact CD1-CB 3.56Å; L367-L498 WeakPolarHBondContact CD1-O 3.35Å; L367-L498 HydrophobicContact CG-CB 4.2Å; L494-L498 WeakPolarHBondContact O-CB 3.23Å; L494-L498 VanDerWaalsContact O-CG 3.29Å; L494-L498 WeakPolarHBondContact O-CG 3.49Å; L494-L498 PolarHBondContact O-N 3.06Å; F495-L498 PolarHBondContact O-N 3.38Å; L498-I501 PolarHBondContact O-N 2.88Å; L498-R502 WeakPolarHBondContact O-CB 3.21Å; L498-R502 PolarHBondContact O-N 3.28Å; L498-L568 HydrophobicContact CD2-CB 3.99Å; L498-L568 HydrophobicContact CD2-CD1 3.92Å; L498-L568 HydrophobicContact CD2-CG 4.47Å; L498-I573 HydrophobicContact CD1-CD1 3.73Å; L498-I573 HydrophobicContact CD2-CD1 4.15Å
499F87.6Confident87.3Confident4 Ų428.9 Ų28.92%0.01812%0.123CC..Hα-helixtrans-69.6-36.9-178.2-170-126.5000111.7L367 F373 F376 L377 L466 L469 F495 F497 R502 R503L367-F499 HydrophobicContact CD1-CB 4.45Å; L367-F499 HydrophobicContact CD2-CD2 4.17Å; F373-F499 HydrophobicContact CD1-CD2 4.15Å; F373-F499 AromaticContact CD1-CE2 3.85Å; F373-F499 HydrophobicContact CD1-CE2 3.85Å; F376-F499 HydrophobicContact CD1-CZ 4.38Å; F376-F499 AromaticContact CE1-CZ 3.94Å; F376-F499 HydrophobicContact CE1-CZ 3.94Å; L377-F499 HydrophobicContact CD2-CZ 4.35Å; L466-F499 HydrophobicContact CD1-CD1 3.63Å; L466-F499 HydrophobicContact CD1-CE1 3.17Å; L466-F499 HydrophobicContact CD1-CZ 3.99Å; L466-F499 HydrophobicContact CD2-CD1 4.46Å; L466-F499 HydrophobicContact CG-CD1 4.15Å; L466-F499 HydrophobicContact CG-CE1 4.11Å; L469-F499 HydrophobicContact CD2-CE1 3.87Å; F495-F499 HydrophobicContact CE1-CB 4.48Å; F495-F499 HydrophobicContact CE1-CD1 4.36Å; F495-F499 HydrophobicContact CE1-CG 4.49Å; F495-F499 HydrophobicContact CE2-CB 4.29Å; F495-F499 HydrophobicContact CE2-CD2 4.45Å; F495-F499 HydrophobicContact CE2-CG 4.34Å; F495-F499 HydrophobicContact CZ-CB 4.23Å; F495-F499 HydrophobicContact CZ-CD1 4.13Å; F495-F499 HydrophobicContact CZ-CD2 4.34Å; F495-F499 HydrophobicContact CZ-CG 4Å; F495-F499 WeakPolarHBondContact O-CB 3.17Å; F495-F499 PolarHBondContact O-N 3.41Å; F497-F499 VanDerWaalsContact C-N 3.32Å; F497-F499 PolarHBondContact O-N 2.96Å; F499-R502 PolarHBondContact O-N 3.29Å; F499-R503 WeakPolarHBondContact O-CB 3.34Å; F499-R503 PolarHBondContact O-N 3.25Å
500A86.7Confident87.2Confident16 Ų1627.3 Ų27.313%0.13212%0.121CC..Hα-helixtrans-60.3-45.6171.600000111.8R496 F497 R503 T504 L623R496-A500 WeakPolarHBondContact O-CB 3.43Å; R496-A500 PolarHBondContact O-N 3.36Å; R496-A500 VanDerWaalsContact O-N 3.15Å; F497-A500 PolarHBondContact O-N 3.28Å; A500-R503 PolarHBondContact O-N 3.28Å; A500-T504 PolarHBondContact O-N 3.24Å; A500-T504 VanDerWaalsContact O-N 3.14Å; A500-T504 PolarHBondContact O-OG1 3.11Å; A500-L623 HydrophobicContact CB-CD1 4.16Å
501I88.5Confident87.2Confident3 Ų327 Ų272%0.01512%0.117CC..Hα-helixtrans-62.1-49.2177.5-64.5168.3000110.5F497 L498 R503 T504 Q505 I561 Q565 L568 L623F497-I501 HydrophobicContact CD1-CD1 4.17Å; F497-I501 HydrophobicContact CE1-CD1 3.75Å; F497-I501 HydrophobicContact CE2-CD1 4.26Å; F497-I501 HydrophobicContact CZ-CD1 3.81Å; F497-I501 WeakPolarHBondContact O-CG1 3.25Å; F497-I501 PolarHBondContact O-N 3.14Å; L498-I501 PolarHBondContact O-N 2.88Å; I501-R503 VanDerWaalsContact C-N 3.34Å; I501-R503 PolarHBondContact O-N 3.24Å; I501-T504 PolarHBondContact O-N 3.45Å; I501-Q505 PolarHBondContact O-N 3.09Å; I501-Q505 VanDerWaalsContact O-N 3.07Å; I501-I561 HydrophobicContact CG2-CG2 4.1Å; I501-Q565 HydrophobicContact CG2-CB 4.46Å; I501-L568 HydrophobicContact CD1-CD1 3.41Å; I501-L568 VanDerWaalsContact CD1-CD1 3.41Å; I501-L623 HydrophobicContact CG1-CD1 3.73Å; I501-L623 HydrophobicContact CG1-CD2 4.27Å
502R87.6Confident87.1Confident29 Ų2932.5 Ų32.511%0.10914%0.138CC..Hα-helixtrans-61.3-41.7-179.6-175.956.2171.7-1800.6111.6L367 L498 F499 T504 Q505 L506L367-R502 HydrophobicContact CD1-CB 3.98Å; L498-R502 WeakPolarHBondContact O-CB 3.21Å; L498-R502 PolarHBondContact O-N 3.28Å; F499-R502 PolarHBondContact O-N 3.29Å; R502-T504 PolarHBondContact O-N 3.42Å; R502-Q505 VanDerWaalsContact CD-OE1 3.24Å; R502-Q505 WeakPolarHBondContact O-CB 3.5Å; R502-Q505 PolarHBondContact O-N 3.21Å; R502-L506 HydrophobicContact CG-CD1 4.26Å; R502-L506 VanDerWaalsContact O-CG 3.29Å; R502-L506 WeakPolarHBondContact O-CG 3.27Å; R502-L506 PolarHBondContact O-N 2.97Å; R502-L506 VanDerWaalsContact O-N 3.08Å
503R84.7Confident87Confident25 Ų2533.7 Ų33.79%0.09415%0.151CC..Hα-helixtrans-59.5-47.4175.2178.4-171.9-178.6-169.210.7112L405 D406 T464 F499 A500 I501 Q505 L506 K507L405-R503 PolarHBondContact O-NH2 2.92Å; D406-R503 IonicContact OD1-CZ 2.74Å; D406-R503 IonicContact OD1-NE 3.28Å; D406-R503 IonicContact OD1-NH2 2.95Å; D406-R503 PolarHBondContact OD1-NH2 3.29Å; T464-R503 PolarHBondContact OG1-NH1 3.07Å; F499-R503 WeakPolarHBondContact O-CB 3.34Å; F499-R503 PolarHBondContact O-N 3.25Å; A500-R503 PolarHBondContact O-N 3.28Å; I501-R503 VanDerWaalsContact C-N 3.34Å; I501-R503 PolarHBondContact O-N 3.24Å; R503-Q505 VanDerWaalsContact C-N 3.27Å; R503-Q505 PolarHBondContact O-N 2.81Å; R503-L506 PolarHBondContact O-N 2.9Å; R503-L506 VanDerWaalsContact O-N 3.13Å; R503-K507 PolarHBondContact O-N 3.08Å
504T86.9Confident86.9Confident4 Ų430.9 Ų30.93%0.02515%0.146CC..Hα-helixtrans-62.2-39.2-179.5-55.70000111.2A500 I501 R502 L506 K507 L508 I561 L623 C626A500-T504 PolarHBondContact O-N 3.24Å; A500-T504 VanDerWaalsContact O-N 3.14Å; A500-T504 PolarHBondContact O-OG1 3.11Å; I501-T504 PolarHBondContact O-N 3.45Å; R502-T504 PolarHBondContact O-N 3.42Å; T504-L506 VanDerWaalsContact C-N 3.32Å; T504-L506 PolarHBondContact O-N 3.23Å; T504-K507 PolarHBondContact O-N 2.95Å; T504-L508 HydrophobicContact CG2-CD1 4.33Å; T504-L508 VanDerWaalsContact O-CG 3.31Å; T504-L508 WeakPolarHBondContact O-CG 3.34Å; T504-L508 PolarHBondContact O-N 3.12Å; T504-I561 HydrophobicContact CG2-CD1 3.44Å; T504-I561 VanDerWaalsContact CG2-CD1 3.44Å; T504-L623 HydrophobicContact CG2-CB 4.48Å; T504-L623 HydrophobicContact CG2-CD2 3.99Å; T504-C626 HydrophobicContact CG2-CB 3.31Å
505Q88.5Confident86.6Confident12 Ų1230.7 Ų30.76%0.05615%0.145CC..Hα-helixtrans-57.8-45.3173.2-170-171.117.400112.1I501 R502 R503 L508 Q509 I561 D562I501-Q505 PolarHBondContact O-N 3.09Å; I501-Q505 VanDerWaalsContact O-N 3.07Å; R502-Q505 VanDerWaalsContact CD-OE1 3.24Å; R502-Q505 WeakPolarHBondContact O-CB 3.5Å; R502-Q505 PolarHBondContact O-N 3.21Å; R503-Q505 VanDerWaalsContact C-N 3.27Å; R503-Q505 PolarHBondContact O-N 2.81Å; Q505-L508 PolarHBondContact O-N 3.44Å; Q505-Q509 WeakPolarHBondContact O-CG 3.37Å; Q505-Q509 PolarHBondContact O-N 3.5Å; Q505-I561 HydrophobicContact CB-CG2 3.67Å; Q505-I561 HydrophobicContact CG-CG2 4.15Å; Q505-D562 PolarHBondContact NE2-OD1 3.24Å
506L85.6Confident86.3Confident14 Ų1432.4 Ų32.47%0.07315%0.154CC..Hα-helixtrans-68.1-44.1-179.2-64174.1000112.2L374 L377 R502 R503 T504 L508 Q509 E510L374-L506 HydrophobicContact CD2-CD1 3.79Å; L374-L506 HydrophobicContact CD2-CD2 3.13Å; L374-L506 HydrophobicContact CD2-CG 4.09Å; L374-L506 HydrophobicContact CG-CD2 4.49Å; L377-L506 HydrophobicContact CD1-CD1 3.22Å; R502-L506 HydrophobicContact CG-CD1 4.26Å; R502-L506 VanDerWaalsContact O-CG 3.29Å; R502-L506 WeakPolarHBondContact O-CG 3.27Å; R502-L506 PolarHBondContact O-N 2.97Å; R502-L506 VanDerWaalsContact O-N 3.08Å; R503-L506 PolarHBondContact O-N 2.9Å; R503-L506 VanDerWaalsContact O-N 3.13Å; T504-L506 VanDerWaalsContact C-N 3.32Å; T504-L506 PolarHBondContact O-N 3.23Å; L506-L508 PolarHBondContact O-N 3.25Å; L506-Q509 CarbonylContact O-C 3.54Å; L506-Q509 WeakPolarHBondContact O-CA 3.31Å; L506-Q509 WeakPolarHBondContact O-CB 3.29Å; L506-Q509 PolarHBondContact O-N 2.94Å; L506-E510 WeakPolarHBondContact O-CG 3.44Å; L506-E510 PolarHBondContact O-N 3.37Å
507K85.1Confident86.1Confident22 Ų2232.1 Ų32.110%0.09616%0.158CC..Hα-helixtrans-55.6-41.2172.2-76.4-164.3169.5-162.10112D406 R503 T504 Q509 F511D406-K507 WeakPolarHBondContact OD1-CE 3.49Å; D406-K507 IonicContact OD1-NZ 2.63Å; D406-K507 PolarHBondContact OD1-NZ 3.38Å; D406-K507 IonicContact OD2-NZ 2.66Å; R503-K507 PolarHBondContact O-N 3.08Å; T504-K507 PolarHBondContact O-N 2.95Å; K507-Q509 VanDerWaalsContact C-N 3.34Å; K507-F511 VanDerWaalsContact O-CB 3.26Å; K507-F511 WeakPolarHBondContact O-CB 3.38Å; K507-F511 PolarHBondContact O-N 3.34Å
508L87.2Confident85.7Confident0 Ų032.4 Ų32.40%016%0.16CC..Hα-helixtrans-69.3-30.5176.1-70.7171.1000112.7T504 Q505 L506 W512 R554 M557 I561 C626 V630T504-L508 HydrophobicContact CG2-CD1 4.33Å; T504-L508 VanDerWaalsContact O-CG 3.31Å; T504-L508 WeakPolarHBondContact O-CG 3.34Å; T504-L508 PolarHBondContact O-N 3.12Å; Q505-L508 PolarHBondContact O-N 3.44Å; L506-L508 PolarHBondContact O-N 3.25Å; L508-W512 WeakPolarHBondContact O-CB 3.43Å; L508-W512 PolarHBondContact O-N 2.81Å; L508-W512 VanDerWaalsContact O-N 3.16Å; L508-R554 HydrophobicContact CB-CG 4.43Å; L508-R554 HydrophobicContact CD2-CG 4.08Å; L508-R554 PolarHBondContact O-NE 2.75Å; L508-R554 PolarHBondContact O-NH2 3Å; L508-M557 HydrophobicContact CD1-CB 3.92Å; L508-M557 HydrophobicContact CD2-CB 4.21Å; L508-M557 HydrophobicContact CD2-SD 4.23Å; L508-I561 HydrophobicContact CD1-CD1 3.36Å; L508-C626 HydrophobicContact CD1-CB 4.26Å; L508-C626 HydrophobicContact CD2-CB 4.47Å; L508-V630 HydrophobicContact CD2-CG2 3.88Å
509Q87.5Confident85.2Confident74 Ų7436.9 Ų36.935%0.34618%0.177SC..Hα-helixtrans-73.7-44.5175.2-73.9175.2-0.200112.1Q505 L506 K507 F511 W512 A513Q505-Q509 WeakPolarHBondContact O-CG 3.37Å; Q505-Q509 PolarHBondContact O-N 3.5Å; L506-Q509 CarbonylContact O-C 3.54Å; L506-Q509 WeakPolarHBondContact O-CA 3.31Å; L506-Q509 WeakPolarHBondContact O-CB 3.29Å; L506-Q509 PolarHBondContact O-N 2.94Å; K507-Q509 VanDerWaalsContact C-N 3.34Å; Q509-F511 VanDerWaalsContact C-N 3.34Å; Q509-W512 WeakPolarHBondContact O-CB 3.15Å; Q509-W512 PolarHBondContact O-N 2.88Å; Q509-A513 PolarHBondContact O-N 3.01Å
510E84.7Confident85Confident92 Ų9244.5 Ų44.543%0.4321%0.205SC..Hα-helixtrans-57.8-48.5172.3-70.8174.1177.400110.5L506 W512 A513 D514L506-E510 WeakPolarHBondContact O-CG 3.44Å; L506-E510 PolarHBondContact O-N 3.37Å; E510-W512 VanDerWaalsContact C-N 3.29Å; E510-W512 PolarHBondContact O-N 2.89Å; E510-A513 WeakPolarHBondContact O-CB 3.38Å; E510-A513 PolarHBondContact O-N 2.75Å; E510-D514 PolarHBondContact O-N 3.42Å
511F85Confident84.6Confident2 Ų250.6 Ų50.61%0.00923%0.225CC..Hα-helixtrans-57.3-40.9176.2179.7-103.9000112.8K507 Q509 D514 Q515 R550 R554 F629 V630 S633K507-F511 VanDerWaalsContact O-CB 3.26Å; K507-F511 WeakPolarHBondContact O-CB 3.38Å; K507-F511 PolarHBondContact O-N 3.34Å; Q509-F511 VanDerWaalsContact C-N 3.34Å; F511-D514 PolarHBondContact O-N 3.27Å; F511-Q515 HydrophobicContact CD1-CG 4.08Å; F511-Q515 HydrophobicContact CD2-CG 4.28Å; F511-Q515 HydrophobicContact CE1-CG 3.6Å; F511-Q515 HydrophobicContact CE2-CG 3.79Å; F511-Q515 HydrophobicContact CG-CG 4.42Å; F511-Q515 HydrophobicContact CZ-CG 3.44Å; F511-Q515 VanDerWaalsContact CZ-CG 3.44Å; F511-Q515 WeakPolarHBondContact O-CB 3.4Å; F511-Q515 VanDerWaalsContact O-CG 3.31Å; F511-Q515 WeakPolarHBondContact O-CG 3.42Å; F511-Q515 PolarHBondContact O-N 2.69Å; F511-R550 HydrophobicContact CE1-CB 4.48Å; F511-R550 HydrophobicContact CZ-CB 4.33Å; F511-R554 HydrophobicContact CD1-CB 4.27Å; F511-R554 HydrophobicContact CD1-CG 4.09Å; F511-R554 HydrophobicContact CE1-CB 4.32Å; F511-F629 HydrophobicContact CD1-CE1 4.38Å; F511-F629 AromaticContact CE1-CE1 3.71Å; F511-F629 HydrophobicContact CE1-CE1 3.71Å; F511-F629 HydrophobicContact CE1-CZ 4.42Å; F511-F629 HydrophobicContact CZ-CE1 4.09Å; F511-V630 HydrophobicContact CB-CG1 4.03Å; F511-V630 HydrophobicContact CB-CG2 3.92Å; F511-V630 HydrophobicContact CD2-CG1 4.14Å; F511-V630 HydrophobicContact CD2-CG2 4.49Å; F511-V630 HydrophobicContact CG-CG1 4.35Å; F511-V630 HydrophobicContact CG-CG2 4.1Å; F511-S633 WeakPolarHBondContact CE2-OG 3.34Å; F511-S633 VanDerWaalsContact CZ-OG 3.25Å; F511-S633 WeakPolarHBondContact CZ-OG 3.38Å
512W88.2Confident84Confident120 Ų12051.2 Ų51.246%0.45523%0.229SC..Hα-helixtrans-64.4-42175.8173.489.5000112.2L508 Q509 E510 D514 Q515 I516L508-W512 WeakPolarHBondContact O-CB 3.43Å; L508-W512 PolarHBondContact O-N 2.81Å; L508-W512 VanDerWaalsContact O-N 3.16Å; Q509-W512 WeakPolarHBondContact O-CB 3.15Å; Q509-W512 PolarHBondContact O-N 2.88Å; E510-W512 VanDerWaalsContact C-N 3.29Å; E510-W512 PolarHBondContact O-N 2.89Å; W512-D514 VanDerWaalsContact C-N 3.31Å; W512-D514 PolarHBondContact O-N 2.74Å; W512-Q515 PolarHBondContact O-N 2.84Å; W512-I516 HydrophobicContact CD2-CD1 3.61Å; W512-I516 HydrophobicContact CD2-CG1 4.35Å; W512-I516 HydrophobicContact CE3-CD1 4.03Å; W512-I516 HydrophobicContact CG-CD1 4.32Å; W512-I516 HydrophobicContact CH2-CD1 3.5Å; W512-I516 VanDerWaalsContact CH2-CD1 3.5Å; W512-I516 HydrophobicContact CZ2-CD1 3.02Å; W512-I516 HydrophobicContact CZ2-CG1 4.41Å; W512-I516 HydrophobicContact CZ3-CD1 3.97Å; W512-I516 WeakPolarHBondContact O-CB 3.46Å; W512-I516 WeakPolarHBondContact O-CG1 3.47Å; W512-I516 PolarHBondContact O-N 3.03Å
513A84.4Confident83.4Confident41 Ų4151 Ų5134%0.33923%0.232SC..Hα-helixtrans-61.2-43.9176.700000110.9Q509 E510 I516 L517Q509-A513 PolarHBondContact O-N 3.01Å; E510-A513 WeakPolarHBondContact O-CB 3.38Å; E510-A513 PolarHBondContact O-N 2.75Å; A513-I516 PolarHBondContact O-N 3.46Å; A513-L517 WeakPolarHBondContact O-CG 3.43Å; A513-L517 PolarHBondContact O-N 3.3Å
514D83.5Confident83Confident78 Ų7852 Ų5242%0.41725%0.245SC..Hα-helixtrans-61.5-51.5176-73.8-20.9000111.6E510 F511 W512 I516 L517 L518E510-D514 PolarHBondContact O-N 3.42Å; F511-D514 PolarHBondContact O-N 3.27Å; W512-D514 VanDerWaalsContact C-N 3.31Å; W512-D514 PolarHBondContact O-N 2.74Å; D514-I516 VanDerWaalsContact C-N 3.29Å; D514-I516 PolarHBondContact O-N 2.86Å; D514-L517 WeakPolarHBondContact O-CB 3.44Å; D514-L517 PolarHBondContact O-N 3.41Å; D514-L517 VanDerWaalsContact O-N 3.14Å; D514-L518 WeakPolarHBondContact O-CG 3.31Å; D514-L518 PolarHBondContact O-N 3.23Å
515Q82.4Confident82.3Confident1 Ų158.9 Ų58.91%0.00527%0.271CS..Hα-helixtrans-61.6-35.4179-69.1-56-3900112.6F511 W512 L518 W519 L551F511-Q515 HydrophobicContact CD1-CG 4.08Å; F511-Q515 HydrophobicContact CD2-CG 4.28Å; F511-Q515 HydrophobicContact CE1-CG 3.6Å; F511-Q515 HydrophobicContact CE2-CG 3.79Å; F511-Q515 HydrophobicContact CG-CG 4.42Å; F511-Q515 HydrophobicContact CZ-CG 3.44Å; F511-Q515 VanDerWaalsContact CZ-CG 3.44Å; F511-Q515 WeakPolarHBondContact O-CB 3.4Å; F511-Q515 VanDerWaalsContact O-CG 3.31Å; F511-Q515 WeakPolarHBondContact O-CG 3.42Å; F511-Q515 PolarHBondContact O-N 2.69Å; W512-Q515 PolarHBondContact O-N 2.84Å; Q515-L518 WeakPolarHBondContact O-CB 3.46Å; Q515-L518 PolarHBondContact O-N 3Å; Q515-W519 WeakPolarHBondContact O-CB 3.48Å; Q515-W519 PolarHBondContact O-N 3.31Å; Q515-L551 HydrophobicContact CB-CD2 3.7Å; Q515-L551 HydrophobicContact CB-CG 4.2Å; Q515-L551 HydrophobicContact CG-CD2 4.5Å
516I83.3Confident81.3Confident36 Ų3660 Ų6019%0.18528%0.277CS..Hα-helixtrans-68.3-40.5174.7-77-175000112.2W512 A513 D514 L518 W519 R520W512-I516 HydrophobicContact CD2-CD1 3.61Å; W512-I516 HydrophobicContact CD2-CG1 4.35Å; W512-I516 HydrophobicContact CE3-CD1 4.03Å; W512-I516 HydrophobicContact CG-CD1 4.32Å; W512-I516 HydrophobicContact CH2-CD1 3.5Å; W512-I516 VanDerWaalsContact CH2-CD1 3.5Å; W512-I516 HydrophobicContact CZ2-CD1 3.02Å; W512-I516 HydrophobicContact CZ2-CG1 4.41Å; W512-I516 HydrophobicContact CZ3-CD1 3.97Å; W512-I516 WeakPolarHBondContact O-CB 3.46Å; W512-I516 WeakPolarHBondContact O-CG1 3.47Å; W512-I516 PolarHBondContact O-N 3.03Å; A513-I516 PolarHBondContact O-N 3.46Å; D514-I516 VanDerWaalsContact C-N 3.29Å; D514-I516 PolarHBondContact O-N 2.86Å; I516-L518 PolarHBondContact O-N 2.84Å; I516-W519 PolarHBondContact O-N 3.3Å; I516-R520 HydrophobicContact CG2-CG 4.43Å; I516-R520 WeakPolarHBondContact O-CB 3.32Å; I516-R520 WeakPolarHBondContact O-CG 3.5Å; I516-R520 PolarHBondContact O-N 2.98Å
517L83Confident80.5Confident85 Ų8566.5 Ų66.545%0.44531%0.307SS..Hα-helixtrans-60.4-38.8174.8-72.8170.6000110.5A513 D514 R521A513-L517 WeakPolarHBondContact O-CG 3.43Å; A513-L517 PolarHBondContact O-N 3.3Å; D514-L517 WeakPolarHBondContact O-CB 3.44Å; D514-L517 PolarHBondContact O-N 3.41Å; D514-L517 VanDerWaalsContact O-N 3.14Å; L517-R521 VanDerWaalsContact O-CG 3.29Å; L517-R521 WeakPolarHBondContact O-CG 3.38Å; L517-R521 PolarHBondContact O-N 3.47Å
518L79.5Confident79.4Confident16 Ų1671.5 Ų71.58%0.08433%0.334CS..Hα-helixtrans-65.9-49.6173.9-63.3176.5000112.4D514 Q515 I516 R520 R521 T522 I547 Y637D514-L518 WeakPolarHBondContact O-CG 3.31Å; D514-L518 PolarHBondContact O-N 3.23Å; Q515-L518 WeakPolarHBondContact O-CB 3.46Å; Q515-L518 PolarHBondContact O-N 3Å; I516-L518 PolarHBondContact O-N 2.84Å; L518-R520 PolarHBondContact O-N 3.25Å; L518-R521 PolarHBondContact O-N 3.3Å; L518-T522 PolarHBondContact O-N 2.96Å; L518-T522 PolarHBondContact O-OG1 3.49Å; L518-T522 VanDerWaalsContact O-OG1 3.05Å; L518-I547 HydrophobicContact CB-CD1 4.47Å; L518-Y637 HydrophobicContact CD1-CD2 3.35Å; L518-Y637 HydrophobicContact CD1-CE2 3.22Å; L518-Y637 HydrophobicContact CD1-CG 4.25Å; L518-Y637 HydrophobicContact CD2-CD2 4.21Å; L518-Y637 HydrophobicContact CD2-CE2 3.18Å; L518-Y637 WeakPolarHBondContact CD2-OH 3.32Å; L518-Y637 HydrophobicContact CG-CD2 4.38Å; L518-Y637 HydrophobicContact CG-CE2 3.77Å
519W80.4Confident77.9Confident100 Ų10074.4 Ų74.438%0.37935%0.347SS..Hα-helixtrans-53.9-43.9176.6-174.789.7000111.6Q515 I516 S523 I547Q515-W519 WeakPolarHBondContact O-CB 3.48Å; Q515-W519 PolarHBondContact O-N 3.31Å; I516-W519 PolarHBondContact O-N 3.3Å; W519-S523 VanDerWaalsContact O-CB 3.26Å; W519-S523 WeakPolarHBondContact O-CB 3.39Å; W519-S523 PolarHBondContact O-N 2.75Å; W519-S523 PolarHBondContact O-OG 2.95Å; W519-I547 HydrophobicContact CB-CG2 4.04Å; W519-I547 HydrophobicContact CG-CG2 4.46Å
520R81.6Confident76.4Confident165 Ų16576.4 Ų76.462%0.62337%0.365SS*.Hα-helixtrans-64.6-43.7175.2-72.8-178.1-171.8-145.73.5112.4I516 L518 S523 A524I516-R520 HydrophobicContact CG2-CG 4.43Å; I516-R520 WeakPolarHBondContact O-CB 3.32Å; I516-R520 WeakPolarHBondContact O-CG 3.5Å; I516-R520 PolarHBondContact O-N 2.98Å; L518-R520 PolarHBondContact O-N 3.25Å; R520-S523 PolarHBondContact O-N 3.4Å; R520-A524 VanDerWaalsContact O-CB 3.31Å; R520-A524 WeakPolarHBondContact O-CB 3.44Å; R520-A524 PolarHBondContact O-N 3.32Å
521R80Confident74.9Confident144 Ų14478 Ų7854%0.54338%0.376SS..Hα-helixtrans-64.5-43.2178-75.4175.2-170.4159.55.4112L517 L518 A524 R525L517-R521 VanDerWaalsContact O-CG 3.29Å; L517-R521 WeakPolarHBondContact O-CG 3.38Å; L517-R521 PolarHBondContact O-N 3.47Å; L518-R521 PolarHBondContact O-N 3.3Å; R521-A524 PolarHBondContact O-N 2.86Å; R521-R525 WeakPolarHBondContact O-CB 3.45Å; R521-R525 WeakPolarHBondContact O-CG 3.35Å; R521-R525 PolarHBondContact O-N 3.45Å
522T74.4Confident73.4Confident16 Ų1686.4 Ų86.410%0.09841%0.409CS..Hα-helixtrans-66.2-43.5177.8-53.90000110.7L518 A524 R525 N526 F540 L543L518-T522 PolarHBondContact O-N 2.96Å; L518-T522 PolarHBondContact O-OG1 3.49Å; L518-T522 VanDerWaalsContact O-OG1 3.05Å; T522-A524 PolarHBondContact O-N 3.38Å; T522-R525 PolarHBondContact O-N 3.35Å; T522-N526 VanDerWaalsContact O-CG 3.24Å; T522-N526 PolarHBondContact O-N 2.89Å; T522-N526 PolarHBondContact O-OD1 3.48Å; T522-F540 HydrophobicContact CG2-CD1 4.39Å; T522-L543 HydrophobicContact CG2-CD2 3.88Å; T522-L543 HydrophobicContact CG2-CG 4.42Å
523S75.6Confident71.8Confident25 Ų2588.7 Ų88.718%0.17543%0.43CS..Hα-helixtrans-62.1-42.6175-620000112.5W519 R520 N526 Q527W519-S523 VanDerWaalsContact O-CB 3.26Å; W519-S523 WeakPolarHBondContact O-CB 3.39Å; W519-S523 PolarHBondContact O-N 2.75Å; W519-S523 PolarHBondContact O-OG 2.95Å; R520-S523 PolarHBondContact O-N 3.4Å; S523-N526 PolarHBondContact O-N 2.84Å; S523-Q527 WeakPolarHBondContact O-CG 3.22Å; S523-Q527 PolarHBondContact O-N 3.06Å
524A76.8Confident70.4Confident44 Ų4496.1 Ų96.136%0.36446%0.455SS..Hα-helixtrans-65.2-40.5175.100000112R520 R521 T522 Q527 L528R520-A524 VanDerWaalsContact O-CB 3.31Å; R520-A524 WeakPolarHBondContact O-CB 3.44Å; R520-A524 PolarHBondContact O-N 3.32Å; R521-A524 PolarHBondContact O-N 2.86Å; T522-A524 PolarHBondContact O-N 3.38Å; A524-Q527 PolarHBondContact O-N 3.25Å; A524-L528 WeakPolarHBondContact O-CG 3.26Å; A524-L528 PolarHBondContact O-N 3.5Å
525R71.3Confident69.1Low150 Ų15094.2 Ų94.257%0.56645%0.45SS*.Hα-helixtrans-61.1-44.7172.9-80-178.3176-178.5-0.5111.1R521 T522 Q527 L528 H529R521-R525 WeakPolarHBondContact O-CB 3.45Å; R521-R525 WeakPolarHBondContact O-CG 3.35Å; R521-R525 PolarHBondContact O-N 3.45Å; T522-R525 PolarHBondContact O-N 3.35Å; R525-Q527 VanDerWaalsContact C-N 3.34Å; R525-Q527 PolarHBondContact O-N 2.94Å; R525-L528 PolarHBondContact O-N 2.81Å; R525-H529 VanDerWaalsContact O-CB 3.29Å; R525-H529 WeakPolarHBondContact O-CB 3.29Å; R525-H529 PolarHBondContact O-N 2.82Å
526N67.6Low68Low36 Ų3698.1 Ų98.119%0.19348%0.476CS..Hα-helixtrans-56.6-48176.4-70.3-6.5000111T522 S523 L528 H529 V530 F540T522-N526 VanDerWaalsContact O-CG 3.24Å; T522-N526 PolarHBondContact O-N 2.89Å; T522-N526 PolarHBondContact O-OD1 3.48Å; S523-N526 PolarHBondContact O-N 2.84Å; N526-L528 VanDerWaalsContact C-N 3.35Å; N526-L528 PolarHBondContact O-N 3.49Å; N526-H529 PolarHBondContact O-N 3.46Å; N526-V530 WeakPolarHBondContact O-CG2 3.34Å; N526-V530 PolarHBondContact O-N 3.2Å; N526-V530 VanDerWaalsContact O-N 3.15Å; N526-F540 VanDerWaalsContact OD1-CB 3.25Å; N526-F540 WeakPolarHBondContact OD1-CB 3.16Å; N526-F540 WeakPolarHBondContact OD1-CD1 3.28Å; N526-F540 WeakPolarHBondContact OD1-CG 3.32Å
527Q68.1Low67.1Low150 Ų150102.4 Ų102.470%0.70150%0.498SS*.Hα-helixtrans-61.1-39.1177.5-70.1176.85.200113.1S523 A524 R525S523-Q527 WeakPolarHBondContact O-CG 3.22Å; S523-Q527 PolarHBondContact O-N 3.06Å; A524-Q527 PolarHBondContact O-N 3.25Å; R525-Q527 VanDerWaalsContact C-N 3.34Å; R525-Q527 PolarHBondContact O-N 2.94Å
528L63.4Low66.3Low126 Ų126103.7 Ų103.766%0.6651%0.505SS*.Hα-helixtrans-72.5-33.7175.9-71.7164.8000112.6A524 R525 N526 N531A524-L528 WeakPolarHBondContact O-CG 3.26Å; A524-L528 PolarHBondContact O-N 3.5Å; R525-L528 PolarHBondContact O-N 2.81Å; N526-L528 VanDerWaalsContact C-N 3.35Å; N526-L528 PolarHBondContact O-N 3.49Å; L528-N531 PolarHBondContact O-N 3.37Å
529H55.3Low65.8Low61 Ų61105.7 Ų105.728%0.28252%0.518SS..Hα-helixtrans-79.6-18.3-175.9-129.6-75.8000113.8R525 N526 N531 Y532 A535R525-H529 VanDerWaalsContact O-CB 3.29Å; R525-H529 WeakPolarHBondContact O-CB 3.29Å; R525-H529 PolarHBondContact O-N 2.82Å; N526-H529 PolarHBondContact O-N 3.46Å; H529-N531 PolarHBondContact O-N 3.17Å; H529-Y532 PolarHBondContact CE1-O 3.3Å; H529-Y532 PolarHBondContact ND1-O 3.41Å; H529-Y532 CarbonylContact O-C 3.58Å; H529-Y532 PolarHBondContact O-N 3.34Å; H529-A535 PolarHBondContact CE1-N 2.98Å; H529-A535 VanDerWaalsContact CE1-N 3.34Å
530V55.6Low65.1Low117 Ų117102.5 Ų102.571%0.70951%0.507SS*.THydrogen-bonded Turntrans-53-23.5167.3-177.80000110.9N526N526-V530 WeakPolarHBondContact O-CG2 3.34Å; N526-V530 PolarHBondContact O-N 3.2Å; N526-V530 VanDerWaalsContact O-N 3.15Å
531N54.2Low64.7Low125 Ų12599.4 Ų99.467%0.66850%0.501SS*.THydrogen-bonded Turntrans-92.6-10.1178.2-65.1-21.1000115.4L528 H529L528-N531 PolarHBondContact O-N 3.37Å; H529-N531 PolarHBondContact O-N 3.17Å
532Y52Low64.4Low179 Ų17998.6 Ų98.670%0.70250%0.504SS*.SBendtrans-140.4109.8-177.4-73.1-79.4000112.7H529 K534H529-Y532 PolarHBondContact CE1-O 3.3Å; H529-Y532 PolarHBondContact ND1-O 3.41Å; H529-Y532 CarbonylContact O-C 3.58Å; H529-Y532 PolarHBondContact O-N 3.34Å; Y532-K534 VanDerWaalsContact C-N 3.34Å; Y532-K534 PolarHBondContact O-N 3.01Å
533N54.5Low64.4Low168 Ų168100.4 Ų100.490%0.89851%0.512SS*.  trans-68.853.9-174-78.9-16.3000117
534K56.8Low64.4Low196 Ų196102.2 Ų102.285%0.85252%0.518SS*.  trans-118.7-10.3-176.4-73.3-170.8178.1-177.90118.6Y532Y532-K534 VanDerWaalsContact C-N 3.34Å; Y532-K534 PolarHBondContact O-N 3.01Å
535A55.3Low64.4Low39 Ų39103.2 Ų103.232%0.32252%0.522SS..SBendtrans-125.9135.7174.600000110.2H529 I537 F540H529-A535 PolarHBondContact CE1-N 2.98Å; H529-A535 VanDerWaalsContact CE1-N 3.34Å; A535-I537 PolarHBondContact O-N 3.16Å; A535-F540 HydrophobicContact CB-CE2 3.54Å; A535-F540 HydrophobicContact CB-CZ 3.85Å
536P59.5Low64.8Low83 Ų8397.9 Ų97.954%0.53951%0.508SS..  trans-64.3127.9-17924.6-31.3000110.1N538 V539P536-N538 PolarHBondContact O-N 2.81Å; P536-V539 HydrophobicContact CG-CB 4.49Å; P536-V539 HydrophobicContact CG-CG2 3.78Å; P536-V539 PolarHBondContact O-N 3.25Å
537I63.7Low65.4Low126 Ų12696.4 Ų96.465%0.64650%0.5SS*.Hα-helixtrans-46.2-33.7175.7-69.9159.8000111.7A535 V539 F540 I541A535-I537 PolarHBondContact O-N 3.16Å; I537-V539 PolarHBondContact O-N 2.89Å; I537-F540 PolarHBondContact O-N 3.15Å; I537-I541 HydrophobicContact CG2-CD1 3.65Å; I537-I541 HydrophobicContact CG2-CG1 4.25Å; I537-I541 WeakPolarHBondContact O-CG1 3.34Å; I537-I541 PolarHBondContact O-N 2.69Å; I537-I541 VanDerWaalsContact O-N 3.14Å
538N66.1Low66Low112 Ų11292.7 Ų92.760%0.59949%0.485SS*.Hα-helixtrans-58.7-39.2179.4-64.6-9000114P536 F540 I541 Q542P536-N538 PolarHBondContact O-N 2.81Å; N538-F540 VanDerWaalsContact C-N 3.34Å; N538-F540 PolarHBondContact O-N 3.26Å; N538-I541 PolarHBondContact O-N 3.17Å; N538-Q542 WeakPolarHBondContact O-CB 3.39Å; N538-Q542 VanDerWaalsContact O-CG 3.31Å; N538-Q542 WeakPolarHBondContact O-CG 3.31Å; N538-Q542 PolarHBondContact O-N 3.02Å
539V68.8Low67Low58 Ų5891.5 Ų91.535%0.35248%0.476SS..Hα-helixtrans-68-38-178.41720000110.7P536 I537 L543P536-V539 HydrophobicContact CG-CB 4.49Å; P536-V539 HydrophobicContact CG-CG2 3.78Å; P536-V539 PolarHBondContact O-N 3.25Å; I537-V539 PolarHBondContact O-N 2.89Å; V539-L543 WeakPolarHBondContact O-CB 2.95Å; V539-L543 PolarHBondContact O-N 2.83Å
540F67.1Low68.3Low33 Ų3389.4 Ų89.415%0.14547%0.465CS..Hα-helixtrans-70.1-39.2177.6-66.1-69.3000112.5T522 N526 A535 I537 N538 L543 Q544T522-F540 HydrophobicContact CG2-CD1 4.39Å; N526-F540 VanDerWaalsContact OD1-CB 3.25Å; N526-F540 WeakPolarHBondContact OD1-CB 3.16Å; N526-F540 WeakPolarHBondContact OD1-CD1 3.28Å; N526-F540 WeakPolarHBondContact OD1-CG 3.32Å; A535-F540 HydrophobicContact CB-CE2 3.54Å; A535-F540 HydrophobicContact CB-CZ 3.85Å; I537-F540 PolarHBondContact O-N 3.15Å; N538-F540 VanDerWaalsContact C-N 3.34Å; N538-F540 PolarHBondContact O-N 3.26Å; F540-L543 PolarHBondContact O-N 2.9Å; F540-Q544 WeakPolarHBondContact O-CB 3.43Å; F540-Q544 PolarHBondContact O-N 3.12Å
541I73Confident69.8Low100 Ų10085.4 Ų85.451%0.51344%0.44SS..Hα-helixtrans-63-46.7175.1-66.6172.3000110.1I537 N538 L543 Q544 S545I537-I541 HydrophobicContact CG2-CD1 3.65Å; I537-I541 HydrophobicContact CG2-CG1 4.25Å; I537-I541 WeakPolarHBondContact O-CG1 3.34Å; I537-I541 PolarHBondContact O-N 2.69Å; I537-I541 VanDerWaalsContact O-N 3.14Å; N538-I541 PolarHBondContact O-N 3.17Å; I541-L543 PolarHBondContact O-N 3.16Å; I541-Q544 PolarHBondContact O-N 2.88Å; I541-S545 PolarHBondContact O-N 3.13Å; I541-S545 PolarHBondContact O-OG 3.24Å
542Q73.5Confident71.3Confident127 Ų12784.1 Ų84.159%0.59343%0.432SS*.Hα-helixtrans-60.5-44.8177.8-76.3174.7-19.500112.2N538 Q544 S545 C546N538-Q542 WeakPolarHBondContact O-CB 3.39Å; N538-Q542 VanDerWaalsContact O-CG 3.31Å; N538-Q542 WeakPolarHBondContact O-CG 3.31Å; N538-Q542 PolarHBondContact O-N 3.02Å; Q542-Q544 PolarHBondContact O-N 3.05Å; Q542-S545 WeakPolarHBondContact CA-OG 3.43Å; Q542-S545 PolarHBondContact O-N 2.85Å; Q542-S545 PolarHBondContact O-OG 3.32Å; Q542-C546 WeakPolarHBondContact O-CB 3.43Å; Q542-C546 PolarHBondContact O-N 2.87Å
543L73.5Confident72.9Confident53 Ų5376.1 Ų76.128%0.27740%0.402SS..Hα-helixtrans-64-41.5177.6-174.863.1000111.5T522 V539 F540 I541 C546 I547T522-L543 HydrophobicContact CG2-CD2 3.88Å; T522-L543 HydrophobicContact CG2-CG 4.42Å; V539-L543 WeakPolarHBondContact O-CB 2.95Å; V539-L543 PolarHBondContact O-N 2.83Å; F540-L543 PolarHBondContact O-N 2.9Å; I541-L543 PolarHBondContact O-N 3.16Å; L543-C546 PolarHBondContact O-N 3.08Å; L543-I547 HydrophobicContact CG-CD1 4.17Å; L543-I547 VanDerWaalsContact O-CG1 3.29Å; L543-I547 WeakPolarHBondContact O-CG1 3.47Å; L543-I547 PolarHBondContact O-N 3.1Å
544Q77.1Confident74.4Confident64 Ų6469.7 Ų69.730%0.29937%0.365SS..Hα-helixtrans-63.8-45.1176.5-172.3169.2-10.100111.5F540 I541 Q542 C546 I547 D548F540-Q544 WeakPolarHBondContact O-CB 3.43Å; F540-Q544 PolarHBondContact O-N 3.12Å; I541-Q544 PolarHBondContact O-N 2.88Å; Q542-Q544 PolarHBondContact O-N 3.05Å; Q544-C546 VanDerWaalsContact C-N 3.3Å; Q544-C546 PolarHBondContact O-N 3.48Å; Q544-I547 PolarHBondContact O-N 2.92Å; Q544-D548 WeakPolarHBondContact O-CB 3.18Å; Q544-D548 PolarHBondContact O-N 3.27Å
545S76.7Confident75.8Confident65 Ų6562.9 Ų62.946%0.45534%0.342SS..Hα-helixtrans-61.8-36.6175.555.40000113.1I541 Q542 D548 Q549I541-S545 PolarHBondContact O-N 3.13Å; I541-S545 PolarHBondContact O-OG 3.24Å; Q542-S545 WeakPolarHBondContact CA-OG 3.43Å; Q542-S545 PolarHBondContact O-N 2.85Å; Q542-S545 PolarHBondContact O-OG 3.32Å; S545-D548 PolarHBondContact O-N 3.49Å; S545-Q549 WeakPolarHBondContact O-CB 3.35Å; S545-Q549 PolarHBondContact O-N 2.92Å
546C79.8Confident77.3Confident38 Ų3862.8 Ų62.826%0.25734%0.335SS..Hα-helixtrans-66-43.1176.4-179.20000111.5Q542 L543 Q544 Q549 R550Q542-C546 WeakPolarHBondContact O-CB 3.43Å; Q542-C546 PolarHBondContact O-N 2.87Å; L543-C546 PolarHBondContact O-N 3.08Å; Q544-C546 VanDerWaalsContact C-N 3.3Å; Q544-C546 PolarHBondContact O-N 3.48Å; C546-Q549 PolarHBondContact O-N 3.33Å; C546-R550 WeakPolarHBondContact O-CG 3.49Å; C546-R550 PolarHBondContact O-N 2.58Å
547I78.6Confident78.6Confident4 Ų458.8 Ų58.82%0.02131%0.309CS..Hα-helixtrans-63.4-45175.6-65.4164.4000110.5L518 W519 L543 Q544 Q549 R550 L551L518-I547 HydrophobicContact CB-CD1 4.47Å; W519-I547 HydrophobicContact CB-CG2 4.04Å; W519-I547 HydrophobicContact CG-CG2 4.46Å; L543-I547 HydrophobicContact CG-CD1 4.17Å; L543-I547 VanDerWaalsContact O-CG1 3.29Å; L543-I547 WeakPolarHBondContact O-CG1 3.47Å; L543-I547 PolarHBondContact O-N 3.1Å; Q544-I547 PolarHBondContact O-N 2.92Å; I547-Q549 VanDerWaalsContact C-N 3.35Å; I547-Q549 PolarHBondContact O-N 3.13Å; I547-R550 PolarHBondContact O-N 3.27Å; I547-L551 HydrophobicContact CG2-CD1 3.88Å; I547-L551 HydrophobicContact CG2-CG 4.31Å; I547-L551 WeakPolarHBondContact O-CB 3.45Å; I547-L551 WeakPolarHBondContact O-CG 2.96Å; I547-L551 PolarHBondContact O-N 2.91Å
548D81.8Confident79.8Confident73 Ų7353 Ų5339%0.3928%0.281SS..Hα-helixtrans-62-42.3179.5-67-20000111.1Q544 S545 L551 L552Q544-D548 WeakPolarHBondContact O-CB 3.18Å; Q544-D548 PolarHBondContact O-N 3.27Å; S545-D548 PolarHBondContact O-N 3.49Å; D548-L551 PolarHBondContact O-N 3.39Å; D548-L552 WeakPolarHBondContact O-CB 3.35Å; D548-L552 PolarHBondContact O-N 3.29Å
549Q83.7Confident80.8Confident101 Ų10151 Ų5147%0.47227%0.267SS..Hα-helixtrans-62.7-43.6175-172.8-178.8-3.900112.1S545 C546 I547 L552 V553S545-Q549 WeakPolarHBondContact O-CB 3.35Å; S545-Q549 PolarHBondContact O-N 2.92Å; C546-Q549 PolarHBondContact O-N 3.33Å; I547-Q549 VanDerWaalsContact C-N 3.35Å; I547-Q549 PolarHBondContact O-N 3.13Å; Q549-L552 PolarHBondContact O-N 2.64Å; Q549-V553 WeakPolarHBondContact O-CG2 3.33Å; Q549-V553 PolarHBondContact O-N 3.25Å
550R83.6Confident81.7Confident16 Ų1648.5 Ų48.56%0.0625%0.251CS..Hα-helixtrans-63.7-41.3176.8-73.3175.5-178.6165.85.4112.1F511 C546 I547 L552 R554 F629F511-R550 HydrophobicContact CE1-CB 4.48Å; F511-R550 HydrophobicContact CZ-CB 4.33Å; C546-R550 WeakPolarHBondContact O-CG 3.49Å; C546-R550 PolarHBondContact O-N 2.58Å; I547-R550 PolarHBondContact O-N 3.27Å; R550-L552 VanDerWaalsContact C-N 3.34Å; R550-R554 WeakPolarHBondContact O-CB 3.42Å; R550-R554 PolarHBondContact O-N 3.09Å; R550-F629 HydrophobicContact CB-CZ 4.41Å; R550-F629 HydrophobicContact CG-CZ 4.45Å
551L86Confident82.7Confident33 Ų3347.1 Ų47.117%0.17325%0.245CC..Hα-helixtrans-65.6-38.1176.6-74.4173.3000111.7Q515 I547 D548 S555Q515-L551 HydrophobicContact CB-CD2 3.7Å; Q515-L551 HydrophobicContact CB-CG 4.2Å; Q515-L551 HydrophobicContact CG-CD2 4.5Å; I547-L551 HydrophobicContact CG2-CD1 3.88Å; I547-L551 HydrophobicContact CG2-CG 4.31Å; I547-L551 WeakPolarHBondContact O-CB 3.45Å; I547-L551 WeakPolarHBondContact O-CG 2.96Å; I547-L551 PolarHBondContact O-N 2.91Å; D548-L551 PolarHBondContact O-N 3.39Å; L551-S555 WeakPolarHBondContact O-CB 3.35Å; L551-S555 PolarHBondContact O-N 3.09Å
552L86.3Confident83.5Confident98 Ų9845.3 Ų45.351%0.51324%0.237SC..Hα-helixtrans-62.8-54175-177.764.5000111D548 Q549 R550 R554 S555 H556D548-L552 WeakPolarHBondContact O-CB 3.35Å; D548-L552 PolarHBondContact O-N 3.29Å; Q549-L552 PolarHBondContact O-N 2.64Å; R550-L552 VanDerWaalsContact C-N 3.34Å; L552-R554 VanDerWaalsContact C-N 3.31Å; L552-R554 PolarHBondContact O-N 3.37Å; L552-S555 WeakPolarHBondContact O-CA 3.49Å; L552-S555 WeakPolarHBondContact O-CB 3.35Å; L552-S555 PolarHBondContact O-N 3.22Å; L552-S555 PolarHBondContact O-OG 3.2Å; L552-H556 WeakPolarHBondContact CD1-NE2 3.49Å; L552-H556 PolarHBondContact O-CD2 3.48Å; L552-H556 PolarHBondContact O-N 2.87Å; L552-H556 VanDerWaalsContact O-N 3.14Å
553V84.7Confident84.1Confident11 Ų1139.9 Ų39.97%0.06721%0.212CC..Hα-helixtrans-56.5-45.3177.2171.10000111.2Q549 S555 H556 M557 F629 V661Q549-V553 WeakPolarHBondContact O-CG2 3.33Å; Q549-V553 PolarHBondContact O-N 3.25Å; V553-S555 VanDerWaalsContact C-N 3.28Å; V553-S555 PolarHBondContact O-N 3.36Å; V553-H556 PolarHBondContact O-N 3.37Å; V553-M557 HydrophobicContact CG1-CE 3.69Å; V553-M557 HydrophobicContact CG1-SD 4.2Å; V553-M557 WeakPolarHBondContact O-CG 3.27Å; V553-M557 PolarHBondContact O-N 2.92Å; V553-F629 HydrophobicContact CB-CE2 4.38Å; V553-F629 HydrophobicContact CB-CZ 4.07Å; V553-F629 HydrophobicContact CG1-CD2 4.28Å; V553-F629 HydrophobicContact CG1-CE1 4.29Å; V553-F629 HydrophobicContact CG1-CE2 3.77Å; V553-F629 HydrophobicContact CG1-CZ 3.77Å; V553-V661 HydrophobicContact CG1-CG1 4.24Å; V553-V661 HydrophobicContact CG1-CG2 3.7Å; V553-V661 HydrophobicContact CG2-CG1 4.07Å; V553-V661 HydrophobicContact CG2-CG2 4.25Å
554R87.6Confident84.8Confident33 Ų3337.6 Ų37.613%0.12520%0.2CC..Hα-helixtrans-59.1-39.9175.2178.1-90.1177.1-164.2-2.2111.8L508 F511 R550 L552 H556 M557 A558 F629L508-R554 HydrophobicContact CB-CG 4.43Å; L508-R554 HydrophobicContact CD2-CG 4.08Å; L508-R554 PolarHBondContact O-NE 2.75Å; L508-R554 PolarHBondContact O-NH2 3Å; F511-R554 HydrophobicContact CD1-CB 4.27Å; F511-R554 HydrophobicContact CD1-CG 4.09Å; F511-R554 HydrophobicContact CE1-CB 4.32Å; R550-R554 WeakPolarHBondContact O-CB 3.42Å; R550-R554 PolarHBondContact O-N 3.09Å; L552-R554 VanDerWaalsContact C-N 3.31Å; L552-R554 PolarHBondContact O-N 3.37Å; R554-H556 VanDerWaalsContact C-N 3.3Å; R554-H556 PolarHBondContact O-N 2.86Å; R554-M557 PolarHBondContact O-N 3.17Å; R554-A558 VanDerWaalsContact O-CB 3.29Å; R554-A558 WeakPolarHBondContact O-CB 3.43Å; R554-A558 PolarHBondContact O-N 3.14Å; R554-F629 HydrophobicContact CB-CE1 4.43Å
555S85.6Confident85.3Confident53 Ų5336.6 Ų36.637%0.37120%0.196SC..Hα-helixtrans-62.8-38.6179.8780000111.7L551 L552 V553 F559L551-S555 WeakPolarHBondContact O-CB 3.35Å; L551-S555 PolarHBondContact O-N 3.09Å; L552-S555 WeakPolarHBondContact O-CA 3.49Å; L552-S555 WeakPolarHBondContact O-CB 3.35Å; L552-S555 PolarHBondContact O-N 3.22Å; L552-S555 PolarHBondContact O-OG 3.2Å; V553-S555 VanDerWaalsContact C-N 3.28Å; V553-S555 PolarHBondContact O-N 3.36Å; S555-F559 WeakPolarHBondContact O-CB 3.16Å; S555-F559 PolarHBondContact O-N 3.15Å
556H85.5Confident85.8Confident37 Ų3738.5 Ų38.517%0.17119%0.194CC..Hα-helixtrans-67.1-44.2173.5-64.4-63.7000112.2L552 V553 R554 A558 F559 I560 Y665 F736L552-H556 WeakPolarHBondContact CD1-NE2 3.49Å; L552-H556 PolarHBondContact O-CD2 3.48Å; L552-H556 PolarHBondContact O-N 2.87Å; L552-H556 VanDerWaalsContact O-N 3.14Å; V553-H556 PolarHBondContact O-N 3.37Å; R554-H556 VanDerWaalsContact C-N 3.3Å; R554-H556 PolarHBondContact O-N 2.86Å; H556-A558 PolarHBondContact O-N 3.12Å; H556-F559 PolarHBondContact O-N 2.94Å; H556-I560 PolarHBondContact O-N 3.48Å; H556-Y665 HydrophobicContact CB-CE1 4.26Å; H556-Y665 PolarHBondContact CD2-OH 3.37Å; H556-Y665 VanDerWaalsContact CD2-OH 3.22Å; H556-F736 AromaticContact CE1-CE2 3.38Å; H556-F736 WeakPolarHBondContact CE1-CE2 2.84Å; H556-F736 AromaticContact CE1-CZ 3.44Å; H556-F736 VanDerWaalsContact CE1-CZ 3.44Å; H556-F736 WeakPolarHBondContact CE1-CZ 3.25Å; H556-F736 AromaticContact CG-CZ 3.9Å; H556-F736 AromaticContact ND1-CE1 4Å; H556-F736 AromaticContact ND1-CE2 3.45Å; H556-F736 WeakPolarHBondContact ND1-CE2 3.38Å; H556-F736 AromaticContact ND1-CZ 3.1Å; H556-F736 WeakPolarHBondContact ND1-CZ 3.47Å
557M88.3Confident86.2Confident0 Ų036.8 Ų36.80%018%0.182CC..Hα-helixtrans-59.8-46.6175.4-69.6178.4175.100112.1L508 V553 R554 F559 I560 I561 C626 F629 F664L508-M557 HydrophobicContact CD1-CB 3.92Å; L508-M557 HydrophobicContact CD2-CB 4.21Å; L508-M557 HydrophobicContact CD2-SD 4.23Å; V553-M557 HydrophobicContact CG1-CE 3.69Å; V553-M557 HydrophobicContact CG1-SD 4.2Å; V553-M557 WeakPolarHBondContact O-CG 3.27Å; V553-M557 PolarHBondContact O-N 2.92Å; R554-M557 PolarHBondContact O-N 3.17Å; M557-F559 VanDerWaalsContact C-N 3.34Å; M557-F559 PolarHBondContact O-N 2.89Å; M557-I560 PolarHBondContact O-N 3.09Å; M557-I561 PolarHBondContact O-N 3.4Å; M557-C626 HydrophobicContact SD-CB 4.36Å; M557-F629 HydrophobicContact CE-CB 3.85Å; M557-F629 HydrophobicContact CE-CD1 4.26Å; M557-F629 HydrophobicContact CE-CD2 4.11Å; M557-F629 HydrophobicContact CE-CG 3.81Å; M557-F629 HydrophobicContact SD-CB 4.02Å; M557-F629 HydrophobicContact SD-CD1 3.78Å; M557-F629 HydrophobicContact SD-CE1 4.44Å; M557-F629 HydrophobicContact SD-CG 3.9Å; M557-F664 HydrophobicContact CB-CE2 4.49Å; M557-F664 HydrophobicContact CB-CZ 4.09Å; M557-F664 HydrophobicContact CE-CB 4.23Å; M557-F664 HydrophobicContact CE-CD1 4.09Å; M557-F664 HydrophobicContact CE-CD2 4.15Å; M557-F664 HydrophobicContact CE-CG 3.88Å; M557-F664 HydrophobicContact CG-CD1 4.19Å; M557-F664 HydrophobicContact CG-CD2 4.29Å; M557-F664 HydrophobicContact CG-CE1 3.72Å; M557-F664 HydrophobicContact CG-CE2 3.84Å; M557-F664 HydrophobicContact CG-CG 4.46Å; M557-F664 HydrophobicContact CG-CZ 3.53Å
558A88.2Confident86.6Confident5 Ų536.8 Ų36.84%0.04118%0.182CC..Hα-helixtrans-62.3-41.7177.900000111.4R554 H556 I560 I561 D562R554-A558 VanDerWaalsContact O-CB 3.29Å; R554-A558 WeakPolarHBondContact O-CB 3.43Å; R554-A558 PolarHBondContact O-N 3.14Å; H556-A558 PolarHBondContact O-N 3.12Å; A558-I560 PolarHBondContact O-N 3.37Å; A558-I561 PolarHBondContact O-N 3.46Å; A558-D562 VanDerWaalsContact O-CB 3.29Å; A558-D562 WeakPolarHBondContact O-CB 3.32Å; A558-D562 PolarHBondContact O-N 3.45Å
559F88Confident87Confident70 Ų7034.9 Ų34.931%0.30717%0.171SC..Hα-helixtrans-57.1-44.3179179.1-101.7000113.2S555 H556 M557 S563 R730 F733S555-F559 WeakPolarHBondContact O-CB 3.16Å; S555-F559 PolarHBondContact O-N 3.15Å; H556-F559 PolarHBondContact O-N 2.94Å; M557-F559 VanDerWaalsContact C-N 3.34Å; M557-F559 PolarHBondContact O-N 2.89Å; F559-S563 VanDerWaalsContact O-CB 3.24Å; F559-S563 WeakPolarHBondContact O-CB 3.46Å; F559-S563 PolarHBondContact O-N 3.02Å; F559-S563 PolarHBondContact O-OG 3.12Å; F559-R730 WeakPolarHBondContact CZ-O 3.43Å; F559-F733 HydrophobicContact CE1-CB 4.46Å; F559-F733 HydrophobicContact CE2-CB 4.45Å; F559-F733 HydrophobicContact CZ-CB 3.66Å; F559-F733 HydrophobicContact CZ-CG 4.45Å
560I86.5Confident87.1Confident5 Ų533.1 Ų33.13%0.02617%0.167CC..Hα-helixtrans-64.2-47.3176.5-58.4-179.8000110.6H556 M557 A558 S563 L564 F664 A668 L731 Y737H556-I560 PolarHBondContact O-N 3.48Å; M557-I560 PolarHBondContact O-N 3.09Å; A558-I560 PolarHBondContact O-N 3.37Å; I560-S563 PolarHBondContact O-N 3.05Å; I560-L564 HydrophobicContact CG2-CD1 3.93Å; I560-L564 HydrophobicContact CG2-CG 4.4Å; I560-L564 WeakPolarHBondContact O-CB 3.39Å; I560-L564 WeakPolarHBondContact O-CG 3.4Å; I560-L564 PolarHBondContact O-N 3.47Å; I560-F664 HydrophobicContact CD1-CE1 4.05Å; I560-F664 HydrophobicContact CD1-CE2 4.29Å; I560-F664 HydrophobicContact CD1-CZ 3.45Å; I560-F664 VanDerWaalsContact CD1-CZ 3.45Å; I560-F664 HydrophobicContact CG1-CZ 4.47Å; I560-A668 HydrophobicContact CD1-CB 3.67Å; I560-L731 HydrophobicContact CG2-CD2 4.09Å; I560-Y737 WeakPolarHBondContact CD1-OH 3.44Å; I560-Y737 VanDerWaalsContact CG1-OH 3.23Å; I560-Y737 WeakPolarHBondContact CG1-OH 3.42Å
561I89.1Confident87Confident4 Ų433.1 Ų33.12%0.02117%0.168CC..Hα-helixtrans-67.1-42.7-175.7-71.8163.1000111.3I501 T504 Q505 L508 M557 A558 S563 L564 Q565 L623 C626I501-I561 HydrophobicContact CG2-CG2 4.1Å; T504-I561 HydrophobicContact CG2-CD1 3.44Å; T504-I561 VanDerWaalsContact CG2-CD1 3.44Å; Q505-I561 HydrophobicContact CB-CG2 3.67Å; Q505-I561 HydrophobicContact CG-CG2 4.15Å; L508-I561 HydrophobicContact CD1-CD1 3.36Å; M557-I561 PolarHBondContact O-N 3.4Å; A558-I561 PolarHBondContact O-N 3.46Å; I561-S563 VanDerWaalsContact C-N 3.32Å; I561-S563 PolarHBondContact O-N 3.43Å; I561-L564 PolarHBondContact O-N 2.62Å; I561-Q565 WeakPolarHBondContact O-CB 2.9Å; I561-Q565 PolarHBondContact O-N 3.07Å; I561-L623 HydrophobicContact CD1-CD2 4.25Å; I561-L623 HydrophobicContact CG1-CD2 4.12Å; I561-C626 HydrophobicContact CD1-CB 4.24Å
562D88.8Confident87Confident62 Ų6231.6 Ų31.633%0.33216%0.16SC..Hα-helixtrans-64.1-40176.2-69.3-25000110.6Q505 A558 Q565 Y566Q505-D562 PolarHBondContact NE2-OD1 3.24Å; A558-D562 VanDerWaalsContact O-CB 3.29Å; A558-D562 WeakPolarHBondContact O-CB 3.32Å; A558-D562 PolarHBondContact O-N 3.45Å; D562-Q565 PolarHBondContact O-N 3.47Å; D562-Y566 WeakPolarHBondContact O-CB 3.33Å; D562-Y566 PolarHBondContact O-N 2.95Å
563S86Confident87.1Confident12 Ų1227.3 Ų27.38%0.08414%0.138CC..Hα-helixtrans-63.5-42.4174.8-63.80000112.3F559 I560 I561 Y567F559-S563 VanDerWaalsContact O-CB 3.24Å; F559-S563 WeakPolarHBondContact O-CB 3.46Å; F559-S563 PolarHBondContact O-N 3.02Å; F559-S563 PolarHBondContact O-OG 3.12Å; I560-S563 PolarHBondContact O-N 3.05Å; I561-S563 VanDerWaalsContact C-N 3.32Å; I561-S563 PolarHBondContact O-N 3.43Å; S563-Y567 WeakPolarHBondContact O-CB 3.47Å; S563-Y567 PolarHBondContact O-N 3.02Å; S563-Y567 VanDerWaalsContact O-N 3.09Å
564L88.1Confident87.2Confident5 Ų530.6 Ų30.63%0.02615%0.152CC..Hα-helixtrans-65.4-46.7175.5-76170.3000111.5I560 I561 Y566 Y567 L568 I619 L727I560-L564 HydrophobicContact CG2-CD1 3.93Å; I560-L564 HydrophobicContact CG2-CG 4.4Å; I560-L564 WeakPolarHBondContact O-CB 3.39Å; I560-L564 WeakPolarHBondContact O-CG 3.4Å; I560-L564 PolarHBondContact O-N 3.47Å; I561-L564 PolarHBondContact O-N 2.62Å; L564-Y566 PolarHBondContact O-N 3.16Å; L564-Y567 PolarHBondContact O-N 3.36Å; L564-L568 WeakPolarHBondContact O-CB 3.49Å; L564-L568 VanDerWaalsContact O-CG 3.26Å; L564-L568 WeakPolarHBondContact O-CG 2.94Å; L564-L568 PolarHBondContact O-N 2.9Å; L564-I619 HydrophobicContact CD1-CG2 4.36Å; L564-I619 HydrophobicContact CD2-CD1 4.4Å; L564-L727 HydrophobicContact CD2-CD1 4.18Å; L564-L727 HydrophobicContact CD2-CD2 4.18Å
565Q88.7Confident87.1Confident43 Ų4330.5 Ų30.520%0.20116%0.159CC..Hα-helixtrans-61.9-45.1179.6-170.4-162.65.900111I501 I561 D562 L568 Q569I501-Q565 HydrophobicContact CG2-CB 4.46Å; I561-Q565 WeakPolarHBondContact O-CB 2.9Å; I561-Q565 PolarHBondContact O-N 3.07Å; D562-Q565 PolarHBondContact O-N 3.47Å; Q565-L568 PolarHBondContact O-N 2.52Å; Q565-Q569 HydrophobicContact CG-CG 4.25Å; Q565-Q569 WeakPolarHBondContact O-CB 3.4Å; Q565-Q569 WeakPolarHBondContact O-CG 3.09Å; Q565-Q569 PolarHBondContact O-N 3.22Å
566Y87.5Confident87.2Confident105 Ų10528.3 Ų28.341%0.41214%0.142SC..Hα-helixtrans-60-48.3177.7-177-77000111.3D562 L564 L568 Q569 V570D562-Y566 WeakPolarHBondContact O-CB 3.33Å; D562-Y566 PolarHBondContact O-N 2.95Å; L564-Y566 PolarHBondContact O-N 3.16Å; Y566-L568 VanDerWaalsContact C-N 3.34Å; Y566-L568 PolarHBondContact O-N 3.46Å; Y566-Q569 PolarHBondContact O-N 3.46Å; Y566-V570 HydrophobicContact CD1-CB 4.3Å; Y566-V570 HydrophobicContact CD1-CG2 4.49Å; Y566-V570 HydrophobicContact CD2-CG2 4.06Å; Y566-V570 HydrophobicContact CE1-CB 3.86Å; Y566-V570 HydrophobicContact CE1-CG1 4.09Å; Y566-V570 HydrophobicContact CE1-CG2 4.23Å; Y566-V570 HydrophobicContact CE2-CB 4.37Å; Y566-V570 HydrophobicContact CE2-CG2 3.88Å; Y566-V570 HydrophobicContact CG-CG2 4.38Å; Y566-V570 WeakPolarHBondContact O-CB 3.28Å; Y566-V570 PolarHBondContact O-N 3.27Å
567Y87.3Confident87.3Confident2 Ų227.2 Ų27.21%0.00814%0.137CC..Iπ-helixtrans-57.7-47.9177.8166.7-101.4000111.4S563 L564 D571 V572 Q607 L724 L727S563-Y567 WeakPolarHBondContact O-CB 3.47Å; S563-Y567 PolarHBondContact O-N 3.02Å; S563-Y567 VanDerWaalsContact O-N 3.09Å; L564-Y567 PolarHBondContact O-N 3.36Å; Y567-D571 HydrophobicContact CD2-CB 4.03Å; Y567-D571 HydrophobicContact CE2-CB 4.47Å; Y567-D571 WeakPolarHBondContact O-CB 3.37Å; Y567-D571 PolarHBondContact O-N 2.95Å; Y567-D571 VanDerWaalsContact O-N 3.15Å; Y567-V572 HydrophobicContact CD1-CG2 4.23Å; Y567-V572 HydrophobicContact CD2-CG2 4.44Å; Y567-V572 HydrophobicContact CE1-CG2 3.66Å; Y567-V572 HydrophobicContact CE2-CG2 3.92Å; Y567-V572 VanDerWaalsContact CZ-CG2 3.48Å; Y567-V572 PolarHBondContact O-N 3.37Å; Y567-Q607 PolarHBondContact OH-O 3.28Å; Y567-L724 WeakPolarHBondContact OH-CD2 3.3Å; Y567-L727 HydrophobicContact CD1-CD1 4.5Å; Y567-L727 HydrophobicContact CD1-CD2 4.02Å; Y567-L727 HydrophobicContact CD2-CB 3.83Å; Y567-L727 HydrophobicContact CE1-CD2 4.26Å; Y567-L727 HydrophobicContact CE2-CB 4.2Å; Y567-L727 HydrophobicContact CG-CB 4.03Å; Y567-L727 HydrophobicContact CG-CD1 4.12Å; Y567-L727 HydrophobicContact CG-CD2 4.25Å; Y567-L727 HydrophobicContact CG-CG 4.36Å
568L88.2Confident87.3Confident4 Ų430 Ų302%0.02116%0.157CC..Iπ-helixtrans-66-44.6-178.4-68.8170.9000112.2F497 L498 I501 L564 Q565 Y566 V572 I573 A608F497-L568 HydrophobicContact CE1-CD1 3.85Å; F497-L568 HydrophobicContact CE1-CD2 4.41Å; L498-L568 HydrophobicContact CD2-CB 3.99Å; L498-L568 HydrophobicContact CD2-CD1 3.92Å; L498-L568 HydrophobicContact CD2-CG 4.47Å; I501-L568 HydrophobicContact CD1-CD1 3.41Å; I501-L568 VanDerWaalsContact CD1-CD1 3.41Å; L564-L568 WeakPolarHBondContact O-CB 3.49Å; L564-L568 VanDerWaalsContact O-CG 3.26Å; L564-L568 WeakPolarHBondContact O-CG 2.94Å; L564-L568 PolarHBondContact O-N 2.9Å; Q565-L568 PolarHBondContact O-N 2.52Å; Y566-L568 VanDerWaalsContact C-N 3.34Å; Y566-L568 PolarHBondContact O-N 3.46Å; L568-V572 WeakPolarHBondContact O-CB 3.34Å; L568-I573 WeakPolarHBondContact O-CB 2.9Å; L568-I573 WeakPolarHBondContact O-CD1 3.26Å; L568-I573 WeakPolarHBondContact O-CG1 3.46Å; L568-I573 PolarHBondContact O-N 2.93Å; L568-A608 HydrophobicContact CD2-CB 3.77Å
569Q88.7Confident87.2Confident34 Ų3432.5 Ų32.516%0.15917%0.167CC..Iπ-helixtrans-77.8-46.9-175.4-69.2-64.4-19.200112.8L366 Q565 Y566 E574L366-Q569 PolarHBondContact O-NE2 2.95Å; L366-Q569 PolarHBondContact O-OE1 3.32Å; Q565-Q569 HydrophobicContact CG-CG 4.25Å; Q565-Q569 WeakPolarHBondContact O-CB 3.4Å; Q565-Q569 WeakPolarHBondContact O-CG 3.09Å; Q565-Q569 PolarHBondContact O-N 3.22Å; Y566-Q569 PolarHBondContact O-N 3.46Å; Q569-E574 WeakPolarHBondContact O-CB 3.48Å; Q569-E574 PolarHBondContact O-N 2.91Å
570V85.9Confident87.2Confident64 Ų6429.2 Ų29.239%0.38815%0.153SC..Iπ-helixtrans-91.8-52.8-171.6-177.10000111.8Y566 E574Y566-V570 HydrophobicContact CD1-CB 4.3Å; Y566-V570 HydrophobicContact CD1-CG2 4.49Å; Y566-V570 HydrophobicContact CD2-CG2 4.06Å; Y566-V570 HydrophobicContact CE1-CB 3.86Å; Y566-V570 HydrophobicContact CE1-CG1 4.09Å; Y566-V570 HydrophobicContact CE1-CG2 4.23Å; Y566-V570 HydrophobicContact CE2-CB 4.37Å; Y566-V570 HydrophobicContact CE2-CG2 3.88Å; Y566-V570 HydrophobicContact CG-CG2 4.38Å; Y566-V570 WeakPolarHBondContact O-CB 3.28Å; Y566-V570 PolarHBondContact O-N 3.27Å; V570-E574 WeakPolarHBondContact O-CB 3.45Å
571D82Confident87.3Confident16 Ų1630.5 Ų30.59%0.08616%0.16CC..Iπ-helixtrans-74.8-41.4-175.3-74.2-63.1000110.6Y567 A575 T722 K726 R730Y567-D571 HydrophobicContact CD2-CB 4.03Å; Y567-D571 HydrophobicContact CE2-CB 4.47Å; Y567-D571 WeakPolarHBondContact O-CB 3.37Å; Y567-D571 PolarHBondContact O-N 2.95Å; Y567-D571 VanDerWaalsContact O-N 3.15Å; D571-A575 WeakPolarHBondContact O-CB 3.17Å; D571-T722 HydrophobicContact CB-CG2 4.38Å; D571-T722 WeakPolarHBondContact O-CG2 3.42Å; D571-K726 WeakPolarHBondContact OD1-CD 3.41Å; D571-K726 IonicContact OD1-NZ 2.64Å; D571-K726 PolarHBondContact OD1-NZ 3.1Å; D571-R730 IonicContact OD2-CZ 2.75Å; D571-R730 IonicContact OD2-NH1 2.75Å; D571-R730 PolarHBondContact OD2-NH1 3.3Å
572V86Confident87.2Confident1 Ų138.6 Ų38.61%0.00619%0.19CC..Iπ-helixtrans-90.2-64.8-176.9179.10000112.6Y567 L568 Q576 L604 Q607Y567-V572 HydrophobicContact CD1-CG2 4.23Å; Y567-V572 HydrophobicContact CD2-CG2 4.44Å; Y567-V572 HydrophobicContact CE1-CG2 3.66Å; Y567-V572 HydrophobicContact CE2-CG2 3.92Å; Y567-V572 VanDerWaalsContact CZ-CG2 3.48Å; Y567-V572 PolarHBondContact O-N 3.37Å; L568-V572 WeakPolarHBondContact O-CB 3.34Å; V572-Q576 WeakPolarHBondContact O-CB 3.07Å; V572-Q576 VanDerWaalsContact O-CG 3.28Å; V572-Q576 WeakPolarHBondContact O-CG 3.48Å; V572-Q576 PolarHBondContact O-N 3.07Å; V572-Q576 VanDerWaalsContact O-N 3.1Å; V572-L604 HydrophobicContact CG1-CD2 3.83Å; V572-Q607 HydrophobicContact CB-CB 4.44Å; V572-Q607 HydrophobicContact CG1-CB 3.57Å; V572-Q607 HydrophobicContact CG2-CB 4.01Å
573I88.1Confident86.9Confident8 Ų838.4 Ų38.44%0.04119%0.185CC..Iπ-helixtrans-66.7-53.2-170.5-69.5161.5000111.4L366 L498 L568 A575 Q576 F577 L604L366-I573 HydrophobicContact CB-CD1 4.32Å; L366-I573 HydrophobicContact CB-CG2 4.28Å; L366-I573 HydrophobicContact CD1-CG2 3.89Å; L498-I573 HydrophobicContact CD1-CD1 3.73Å; L498-I573 HydrophobicContact CD2-CD1 4.15Å; L568-I573 WeakPolarHBondContact O-CB 2.9Å; L568-I573 WeakPolarHBondContact O-CD1 3.26Å; L568-I573 WeakPolarHBondContact O-CG1 3.46Å; L568-I573 PolarHBondContact O-N 2.93Å; I573-A575 PolarHBondContact O-N 3.14Å; I573-Q576 PolarHBondContact O-N 3.3Å; I573-F577 WeakPolarHBondContact O-CB 3.5Å; I573-F577 PolarHBondContact O-N 3.36Å; I573-L604 HydrophobicContact CG1-CD2 4.08Å
574E88Confident86.9Confident80 Ų8037.9 Ų37.937%0.37418%0.181SC..Iπ-helixtrans-63.6-41.4-176.9-168.259.5-13200112.7K362 Q569 V570 F577 S578K362-E574 WeakPolarHBondContact CE-OE2 3.38Å; K362-E574 VanDerWaalsContact NZ-CD 3.31Å; K362-E574 IonicContact NZ-OE1 2.65Å; K362-E574 PolarHBondContact NZ-OE1 3.18Å; K362-E574 IonicContact NZ-OE2 2.89Å; K362-E574 PolarHBondContact NZ-OE2 2.87Å; Q569-E574 WeakPolarHBondContact O-CB 3.48Å; Q569-E574 PolarHBondContact O-N 2.91Å; V570-E574 WeakPolarHBondContact O-CB 3.45Å; E574-F577 PolarHBondContact O-N 2.82Å; E574-S578 WeakPolarHBondContact O-CB 3.19Å; E574-S578 PolarHBondContact O-N 3.22Å; E574-S578 PolarHBondContact O-OG 3.24Å
575A85.7Confident86.7Confident31 Ų3142.9 Ų42.926%0.25620%0.204SC..Hα-helixtrans-65.9-48179.600000112D571 I573 F577 S578 H579D571-A575 WeakPolarHBondContact O-CB 3.17Å; I573-A575 PolarHBondContact O-N 3.14Å; A575-F577 VanDerWaalsContact C-N 3.32Å; A575-F577 PolarHBondContact O-N 3.41Å; A575-S578 PolarHBondContact O-N 3.1Å; A575-H579 PolarHBondContact O-N 3.29Å
576Q86Confident86.5Confident6 Ų645.8 Ų45.83%0.02822%0.219CC..Hα-helixtrans-68.4-33.8178.2-66.4-58.5-26.500111.7V572 I573 H579 L580 Y600 L604 Q607V572-Q576 WeakPolarHBondContact O-CB 3.07Å; V572-Q576 VanDerWaalsContact O-CG 3.28Å; V572-Q576 WeakPolarHBondContact O-CG 3.48Å; V572-Q576 PolarHBondContact O-N 3.07Å; V572-Q576 VanDerWaalsContact O-N 3.1Å; I573-Q576 PolarHBondContact O-N 3.3Å; Q576-H579 WeakPolarHBondContact O-CB 3.23Å; Q576-H579 PolarHBondContact O-N 3.45Å; Q576-L580 PolarHBondContact O-N 2.89Å; Q576-Y600 VanDerWaalsContact C-CE2 3.49Å; Q576-Y600 HydrophobicContact CB-CD2 3.73Å; Q576-Y600 HydrophobicContact CB-CE2 3.61Å; Q576-L604 HydrophobicContact CB-CD2 3.91Å; Q576-L604 HydrophobicContact CG-CD2 4.18Å; Q576-Q607 VanDerWaalsContact CG-OE1 3.31Å; Q576-Q607 VanDerWaalsContact NE2-NE2 3.12Å
577F88.9Confident86.3Confident14 Ų1442 Ų426%0.06121%0.206CC..Hα-helixtrans-66.4-44.3177.4-174.4-99.7000111.7I358 K362 I573 E574 A575 H579 L580 I581 Y600I358-F577 HydrophobicContact CG2-CE2 3.65Å; I358-F577 HydrophobicContact CG2-CZ 4.19Å; K362-F577 HydrophobicContact CB-CD2 4.26Å; K362-F577 HydrophobicContact CB-CE2 3.79Å; K362-F577 HydrophobicContact CB-CZ 4.29Å; K362-F577 HydrophobicContact CD-CB 4.41Å; K362-F577 HydrophobicContact CD-CD1 3.71Å; K362-F577 HydrophobicContact CD-CD2 3.59Å; K362-F577 HydrophobicContact CD-CE1 3.71Å; K362-F577 HydrophobicContact CD-CE2 3.56Å; K362-F577 HydrophobicContact CD-CG 3.64Å; K362-F577 HydrophobicContact CD-CZ 3.63Å; K362-F577 HydrophobicContact CG-CD2 4.32Å; K362-F577 HydrophobicContact CG-CE2 4.22Å; I573-F577 WeakPolarHBondContact O-CB 3.5Å; I573-F577 PolarHBondContact O-N 3.36Å; E574-F577 PolarHBondContact O-N 2.82Å; A575-F577 VanDerWaalsContact C-N 3.32Å; A575-F577 PolarHBondContact O-N 3.41Å; F577-H579 PolarHBondContact O-N 3.47Å; F577-L580 WeakPolarHBondContact O-CB 3.44Å; F577-L580 PolarHBondContact O-N 3.33Å; F577-I581 HydrophobicContact CD1-CG1 3.9Å; F577-I581 HydrophobicContact CE1-CD1 3.88Å; F577-I581 HydrophobicContact CE1-CG1 3.56Å; F577-I581 HydrophobicContact CE2-CD1 4.39Å; F577-I581 HydrophobicContact CZ-CD1 3.76Å; F577-I581 HydrophobicContact CZ-CG1 3.93Å; F577-I581 WeakPolarHBondContact O-CG1 3.39Å; F577-I581 PolarHBondContact O-N 3.08Å; F577-Y600 HydrophobicContact CB-CE2 4.35Å
578S87.5Confident86Confident59 Ų5947 Ų4741%0.41323%0.23SC..Hα-helixtrans-56.3-37.8173.3-64.50000111.6E574 A575 R582E574-S578 WeakPolarHBondContact O-CB 3.19Å; E574-S578 PolarHBondContact O-N 3.22Å; E574-S578 PolarHBondContact O-OG 3.24Å; A575-S578 PolarHBondContact O-N 3.1Å; S578-R582 WeakPolarHBondContact O-CB 3.32Å; S578-R582 PolarHBondContact O-N 3.47Å; S578-R582 VanDerWaalsContact O-N 3.1Å
579H86.2Confident85.5Confident57 Ų5751.1 Ų51.126%0.26425%0.249SC..Hα-helixtrans-70-38.3176.5-153.7-38.7000112.7A575 Q576 F577 R583 F689A575-H579 PolarHBondContact O-N 3.29Å; Q576-H579 WeakPolarHBondContact O-CB 3.23Å; Q576-H579 PolarHBondContact O-N 3.45Å; F577-H579 PolarHBondContact O-N 3.47Å; H579-R583 WeakPolarHBondContact O-CG 3.14Å; H579-R583 PolarHBondContact O-N 3.35Å; H579-R583 VanDerWaalsContact O-N 3.09Å; H579-F689 HydrophobicContact CB-CD2 3.78Å; H579-F689 HydrophobicContact CB-CE2 4.21Å; H579-F689 AromaticContact CE1-CG 3.98Å; H579-F689 AromaticContact CG-CD2 3.6Å; H579-F689 AromaticContact CG-CG 3.89Å; H579-F689 AromaticContact ND1-CD2 3.82Å; H579-F689 AromaticContact ND1-CG 3.81Å
580L88Confident85.1Confident1 Ų150.5 Ų50.51%0.00525%0.246CC..Hα-helixtrans-63.2-49.3174.2178.166.9000111.2I358 Q576 F577 R582 R583 L584 A596 Y600I358-L580 HydrophobicContact CG2-CD2 4.18Å; Q576-L580 PolarHBondContact O-N 2.89Å; F577-L580 WeakPolarHBondContact O-CB 3.44Å; F577-L580 PolarHBondContact O-N 3.33Å; L580-R582 VanDerWaalsContact C-N 3.29Å; L580-R582 PolarHBondContact O-N 2.84Å; L580-R583 PolarHBondContact O-N 2.88Å; L580-R583 VanDerWaalsContact O-N 3.08Å; L580-L584 HydrophobicContact CD1-CD1 4.49Å; L580-L584 HydrophobicContact CD1-CG 4.48Å; L580-L584 HydrophobicContact CG-CD1 4.01Å; L580-L584 HydrophobicContact CG-CG 4.45Å; L580-L584 WeakPolarHBondContact O-CG 3.48Å; L580-L584 PolarHBondContact O-N 3.17Å; L580-A596 HydrophobicContact CD1-CB 4.27Å; L580-Y600 HydrophobicContact CB-CD2 4.12Å; L580-Y600 HydrophobicContact CB-CG 4.27Å; L580-Y600 HydrophobicContact CD2-CD1 3.74Å; L580-Y600 HydrophobicContact CD2-CD2 4.39Å; L580-Y600 HydrophobicContact CD2-CE1 3.95Å; L580-Y600 HydrophobicContact CD2-CG 3.96Å; L580-Y600 HydrophobicContact CG-CG 4.47Å
581I88Confident84.9Confident33 Ų3353.1 Ų53.117%0.16925%0.25CC..Hα-helixtrans-58.7-42.8178.6-63.9-65.1000111I355 F577 R583 L584 H585I355-I581 HydrophobicContact CG2-CD1 4.17Å; F577-I581 HydrophobicContact CD1-CG1 3.9Å; F577-I581 HydrophobicContact CE1-CD1 3.88Å; F577-I581 HydrophobicContact CE1-CG1 3.56Å; F577-I581 HydrophobicContact CE2-CD1 4.39Å; F577-I581 HydrophobicContact CZ-CD1 3.76Å; F577-I581 HydrophobicContact CZ-CG1 3.93Å; F577-I581 WeakPolarHBondContact O-CG1 3.39Å; F577-I581 PolarHBondContact O-N 3.08Å; I581-R583 VanDerWaalsContact C-N 3.33Å; I581-R583 PolarHBondContact O-N 2.9Å; I581-L584 HydrophobicContact CD1-CD1 4.12Å; I581-L584 PolarHBondContact O-N 3Å; I581-H585 PolarHBondContact O-CD2 3.39Å; I581-H585 PolarHBondContact O-N 2.75Å
582R86.9Confident85Confident173 Ų17355.4 Ų55.465%0.65326%0.261SS*.Hα-helixtrans-60.9-42.2175.5-174.3176-178.8166.32.1112.1S578 L580 H585 I586S578-R582 WeakPolarHBondContact O-CB 3.32Å; S578-R582 PolarHBondContact O-N 3.47Å; S578-R582 VanDerWaalsContact O-N 3.1Å; L580-R582 VanDerWaalsContact C-N 3.29Å; L580-R582 PolarHBondContact O-N 2.84Å; R582-H585 PolarHBondContact O-N 3.05Å; R582-I586 HydrophobicContact CG-CD1 3.74Å; R582-I586 VanDerWaalsContact O-CG1 3.29Å; R582-I586 WeakPolarHBondContact O-CG1 3.45Å; R582-I586 PolarHBondContact O-N 3.33Å
583R83.9Confident84.9Confident59 Ų5955.4 Ų55.422%0.22326%0.261CS..Hα-helixtrans-67.4-39.2176.6-76.2-168.666.4165.8-4.3112.6H579 L580 I581 H585 I586 D587 A596H579-R583 WeakPolarHBondContact O-CG 3.14Å; H579-R583 PolarHBondContact O-N 3.35Å; H579-R583 VanDerWaalsContact O-N 3.09Å; L580-R583 PolarHBondContact O-N 2.88Å; L580-R583 VanDerWaalsContact O-N 3.08Å; I581-R583 VanDerWaalsContact C-N 3.33Å; I581-R583 PolarHBondContact O-N 2.9Å; R583-H585 PolarHBondContact O-N 3.44Å; R583-I586 PolarHBondContact O-N 3.28Å; R583-I586 VanDerWaalsContact O-N 3.1Å; R583-D587 IonicContact CZ-OD2 2.82Å; R583-D587 IonicContact NE-OD2 3.88Å; R583-D587 PolarHBondContact NE-OD2 2.92Å; R583-D587 IonicContact NH2-OD2 3.54Å; R583-D587 PolarHBondContact NH2-OD2 2.66Å; R583-D587 VanDerWaalsContact O-CB 3.25Å; R583-D587 WeakPolarHBondContact O-CB 3.49Å; R583-D587 PolarHBondContact O-N 3.12Å; R583-A596 HydrophobicContact CB-CB 4.36Å
584L85Confident84.8Confident1 Ų157.2 Ų57.21%0.00527%0.27CS..Hα-helixtrans-57.6-32.5175.3-74.5164.9000112.6L354 I358 L580 I581 I593L354-L584 HydrophobicContact CD2-CD2 4.16Å; I358-L584 HydrophobicContact CD1-CD1 3.68Å; I358-L584 HydrophobicContact CD1-CD2 4.3Å; L580-L584 HydrophobicContact CD1-CD1 4.49Å; L580-L584 HydrophobicContact CD1-CG 4.48Å; L580-L584 HydrophobicContact CG-CD1 4.01Å; L580-L584 HydrophobicContact CG-CG 4.45Å; L580-L584 WeakPolarHBondContact O-CG 3.48Å; L580-L584 PolarHBondContact O-N 3.17Å; I581-L584 HydrophobicContact CD1-CD1 4.12Å; I581-L584 PolarHBondContact O-N 3Å; L584-I593 HydrophobicContact CD2-CB 4.18Å; L584-I593 HydrophobicContact CD2-CD1 3.85Å; L584-I593 HydrophobicContact CD2-CG1 3.87Å; L584-I593 HydrophobicContact CD2-CG2 3.37Å
585H84.8Confident84.7Confident110 Ų11058 Ų5851%0.50928%0.276SS..Hα-helixtrans-82.1-28.6175.9-75.4-63.1000114.5I355 I581 R582 R583I355-H585 VanDerWaalsContact CD1-CE1 3.47Å; I355-H585 WeakPolarHBondContact CD1-CE1 3.31Å; I581-H585 PolarHBondContact O-CD2 3.39Å; I581-H585 PolarHBondContact O-N 2.75Å; R582-H585 PolarHBondContact O-N 3.05Å; R583-H585 PolarHBondContact O-N 3.44Å
586I84.2Confident84.7Confident103 Ų10356.6 Ų56.653%0.52826%0.264SS..Hα-helixtrans-88.8-44.2-176.7-66.3168.9000111.2R582 R583 Q588R582-I586 HydrophobicContact CG-CD1 3.74Å; R582-I586 VanDerWaalsContact O-CG1 3.29Å; R582-I586 WeakPolarHBondContact O-CG1 3.45Å; R582-I586 PolarHBondContact O-N 3.33Å; R583-I586 PolarHBondContact O-N 3.28Å; R583-I586 VanDerWaalsContact O-N 3.1Å; I586-Q588 PolarHBondContact O-N 2.82Å
587D82.6Confident84.7Confident26 Ų2656.4 Ų56.414%0.13926%0.263CS..  trans-78.4101-173.7-64.7-14000108.5W345 R583 E589 L592W345-D587 PolarHBondContact NE1-O 3.45Å; R583-D587 IonicContact CZ-OD2 2.82Å; R583-D587 IonicContact NE-OD2 3.88Å; R583-D587 PolarHBondContact NE-OD2 2.92Å; R583-D587 IonicContact NH2-OD2 3.54Å; R583-D587 PolarHBondContact NH2-OD2 2.66Å; R583-D587 VanDerWaalsContact O-CB 3.25Å; R583-D587 WeakPolarHBondContact O-CB 3.49Å; R583-D587 PolarHBondContact O-N 3.12Å; D587-E589 PolarHBondContact O-N 3.12Å; D587-E589 VanDerWaalsContact O-N 3.16Å; D587-L592 HydrophobicContact CB-CB 3.8Å; D587-L592 HydrophobicContact CB-CD1 4.3Å
588Q80.7Confident84.6Confident107 Ų10760.6 Ų60.650%0.528%0.282SS..  trans-80.218.4-176.2-64.8-178.8-8.500114.4Y342 W345 I586Y342-Q588 HydrophobicContact CD2-CB 4.16Å; Y342-Q588 HydrophobicContact CE2-CB 4.38Å; Y342-Q588 HydrophobicContact CE2-CG 4.39Å; W345-Q588 HydrophobicContact CH2-CG 4.34Å; W345-Q588 HydrophobicContact CZ2-CG 4.32Å; I586-Q588 PolarHBondContact O-N 2.82Å
589E78.9Confident84.6Confident90 Ų9059.3 Ų59.342%0.42128%0.275SS..SBendtrans-131.9137.5-178.7-63.9-176.6-176.400111.1D587 R591 L592 I593D587-E589 PolarHBondContact O-N 3.12Å; D587-E589 VanDerWaalsContact O-N 3.16Å; E589-R591 VanDerWaalsContact C-N 3.31Å; E589-R591 PolarHBondContact O-N 3.27Å; E589-L592 HydrophobicContact CB-CB 4.3Å; E589-L592 HydrophobicContact CB-CD1 4.02Å; E589-L592 HydrophobicContact CB-CG 4.02Å; E589-L592 HydrophobicContact CG-CD1 4.27Å; E589-L592 PolarHBondContact O-N 2.9Å; E589-I593 PolarHBondContact O-N 3.03Å
590I80.5Confident84.7Confident21 Ų2156.6 Ų56.611%0.10826%0.263CS..Hα-helixtrans-60-40.4178.9-64.1176.4000112W345 L348 L482 L592 I593 Q594W345-I590 HydrophobicContact CB-CG1 4.26Å; L348-I590 HydrophobicContact CD2-CD1 4.43Å; L348-I590 HydrophobicContact CD2-CG1 4.29Å; L482-I590 HydrophobicContact CD2-CG2 4.01Å; I590-L592 VanDerWaalsContact C-N 3.32Å; I590-L592 PolarHBondContact O-N 3.45Å; I590-I593 WeakPolarHBondContact O-CB 3.4Å; I590-I593 PolarHBondContact O-N 2.89Å; I590-I593 VanDerWaalsContact O-N 3.14Å; I590-Q594 PolarHBondContact O-N 2.87Å
591R81.4Confident84.7Confident120 Ų12056.8 Ų56.845%0.45326%0.264SS..Hα-helixtrans-63.2-39.5179.8-77-179.5164.2-144.23.8111.9E270 E589 I593 Q594 I595E270-R591 IonicContact OE1-CZ 3.62Å; E270-R591 IonicContact OE1-NH2 2.72Å; E270-R591 PolarHBondContact OE1-NH2 3.29Å; E270-R591 IonicContact OE2-CZ 2.97Å; E270-R591 IonicContact OE2-NE 3.9Å; E270-R591 PolarHBondContact OE2-NE 2.94Å; E270-R591 VanDerWaalsContact OE2-NE 3.1Å; E270-R591 IonicContact OE2-NH2 3.39Å; E270-R591 PolarHBondContact OE2-NH2 3.43Å; E589-R591 VanDerWaalsContact C-N 3.31Å; E589-R591 PolarHBondContact O-N 3.27Å; R591-I593 VanDerWaalsContact C-N 3.29Å; R591-I593 PolarHBondContact O-N 3.2Å; R591-Q594 PolarHBondContact O-N 3.3Å; R591-I595 WeakPolarHBondContact O-CG1 3.33Å; R591-I595 PolarHBondContact O-N 3.46Å
592L84Confident84.6Confident63 Ų6356.5 Ų56.533%0.3327%0.266SS..Hα-helixtrans-65.4-35.7175.7-65.9177.8000111.3D587 E589 I590 I595 A596D587-L592 HydrophobicContact CB-CB 3.8Å; D587-L592 HydrophobicContact CB-CD1 4.3Å; E589-L592 HydrophobicContact CB-CB 4.3Å; E589-L592 HydrophobicContact CB-CD1 4.02Å; E589-L592 HydrophobicContact CB-CG 4.02Å; E589-L592 HydrophobicContact CG-CD1 4.27Å; E589-L592 PolarHBondContact O-N 2.9Å; I590-L592 VanDerWaalsContact C-N 3.32Å; I590-L592 PolarHBondContact O-N 3.45Å; L592-I595 PolarHBondContact O-N 2.76Å; L592-A596 VanDerWaalsContact O-CB 3.28Å; L592-A596 WeakPolarHBondContact O-CB 3.33Å; L592-A596 PolarHBondContact O-N 3.21Å
593I84.6Confident84.5Confident1 Ų148.2 Ų48.21%0.00524%0.235CC..Hα-helixtrans-63.1-46.1172.7-66.6178.4000111.7W345 L482 L584 E589 I590 R591 I595 A596 Q597W345-I593 VanDerWaalsContact CD1-CD1 3.41Å; L482-I593 HydrophobicContact CD1-CG2 4.38Å; L482-I593 HydrophobicContact CD2-CG2 4.08Å; L584-I593 HydrophobicContact CD2-CB 4.18Å; L584-I593 HydrophobicContact CD2-CD1 3.85Å; L584-I593 HydrophobicContact CD2-CG1 3.87Å; L584-I593 HydrophobicContact CD2-CG2 3.37Å; E589-I593 PolarHBondContact O-N 3.03Å; I590-I593 WeakPolarHBondContact O-CB 3.4Å; I590-I593 PolarHBondContact O-N 2.89Å; I590-I593 VanDerWaalsContact O-N 3.14Å; R591-I593 VanDerWaalsContact C-N 3.29Å; R591-I593 PolarHBondContact O-N 3.2Å; I593-I595 VanDerWaalsContact C-N 3.35Å; I593-I595 PolarHBondContact O-N 3.09Å; I593-A596 WeakPolarHBondContact O-CB 3.37Å; I593-A596 PolarHBondContact O-N 3.05Å; I593-Q597 WeakPolarHBondContact O-CB 3.44Å; I593-Q597 PolarHBondContact O-N 3.08Å
594Q84.5Confident84.6Confident47 Ų4745.5 Ų45.522%0.2223%0.225CC..Hα-helixtrans-58-48.9176.9-70.8173-28.800111.2R481 L482 I590 R591 A596 Q597 E598R481-Q594 PolarHBondContact O-NE2 3.15Å; L482-Q594 HydrophobicContact CD2-CG 3.44Å; L482-Q594 VanDerWaalsContact CD2-CG 3.44Å; I590-Q594 PolarHBondContact O-N 2.87Å; R591-Q594 PolarHBondContact O-N 3.3Å; Q594-A596 VanDerWaalsContact C-N 3.29Å; Q594-A596 PolarHBondContact O-N 2.97Å; Q594-Q597 PolarHBondContact O-N 3.26Å; Q594-E598 WeakPolarHBondContact O-CG 3.49Å; Q594-E598 PolarHBondContact O-N 2.95Å
595I85.7Confident84.7Confident97 Ų9746.2 Ų46.250%0.49723%0.228SC..Hα-helixtrans-61.5-40.5177.5-65.3165.8000110.5R591 L592 I593 A599R591-I595 WeakPolarHBondContact O-CG1 3.33Å; R591-I595 PolarHBondContact O-N 3.46Å; L592-I595 PolarHBondContact O-N 2.76Å; I593-I595 VanDerWaalsContact C-N 3.35Å; I593-I595 PolarHBondContact O-N 3.09Å; I595-A599 VanDerWaalsContact O-CB 3.23Å; I595-A599 WeakPolarHBondContact O-CB 3.47Å; I595-A599 PolarHBondContact O-N 3.27Å
596A86.5Confident84.6Confident1 Ų141.4 Ų41.41%0.00821%0.207CC..Hα-helixtrans-63.3-43.6176.500000111.8L580 R583 L592 I593 Q594 A599 Y600 F689L580-A596 HydrophobicContact CD1-CB 4.27Å; R583-A596 HydrophobicContact CB-CB 4.36Å; L592-A596 VanDerWaalsContact O-CB 3.28Å; L592-A596 WeakPolarHBondContact O-CB 3.33Å; L592-A596 PolarHBondContact O-N 3.21Å; I593-A596 WeakPolarHBondContact O-CB 3.37Å; I593-A596 PolarHBondContact O-N 3.05Å; Q594-A596 VanDerWaalsContact C-N 3.29Å; Q594-A596 PolarHBondContact O-N 2.97Å; A596-A599 PolarHBondContact O-N 3.44Å; A596-Y600 VanDerWaalsContact O-CB 3.26Å; A596-Y600 WeakPolarHBondContact O-CB 3.29Å; A596-Y600 PolarHBondContact O-N 3.14Å; A596-F689 HydrophobicContact CB-CE1 4.35Å; A596-F689 HydrophobicContact CB-CZ 4.35Å; A596-F689 VanDerWaalsContact O-CZ 3.28Å; A596-F689 WeakPolarHBondContact O-CZ 3.41Å
597Q86.8Confident84.6Confident1 Ų136.8 Ų36.81%0.00518%0.184CC..Hα-helixtrans-66.8-41.9178.3-177.8173.7-5.500112.1I487 I593 Q594 Y600 L601I487-Q597 HydrophobicContact CD1-CG 4.45Å; I593-Q597 WeakPolarHBondContact O-CB 3.44Å; I593-Q597 PolarHBondContact O-N 3.08Å; Q594-Q597 PolarHBondContact O-N 3.26Å; Q597-Y600 WeakPolarHBondContact O-CB 3.13Å; Q597-Y600 PolarHBondContact O-N 3.14Å; Q597-L601 HydrophobicContact CG-CD1 4.36Å; Q597-L601 WeakPolarHBondContact O-CB 3.5Å; Q597-L601 WeakPolarHBondContact O-CG 3.45Å; Q597-L601 PolarHBondContact O-N 3Å
598E87Confident84.6Confident102 Ų10235.8 Ų35.848%0.47718%0.179SC..Hα-helixtrans-63.5-44.2174.5-72.6-175.2168.900111.5I487 Q594 L601 A602I487-E598 HydrophobicContact CD1-CG 3.95Å; I487-E598 HydrophobicContact CG1-CG 4.27Å; Q594-E598 WeakPolarHBondContact O-CG 3.49Å; Q594-E598 PolarHBondContact O-N 2.95Å; E598-L601 PolarHBondContact O-N 3.35Å; E598-A602 VanDerWaalsContact O-CB 3.3Å; E598-A602 WeakPolarHBondContact O-CB 3.43Å; E598-A602 PolarHBondContact O-N 3.48Å
599A86.5Confident84.6Confident32 Ų3230.9 Ų30.926%0.26416%0.156SC..Hα-helixtrans-64.1-41175.800000112.2I595 A596 G603 F689I595-A599 VanDerWaalsContact O-CB 3.23Å; I595-A599 WeakPolarHBondContact O-CB 3.47Å; I595-A599 PolarHBondContact O-N 3.27Å; A596-A599 PolarHBondContact O-N 3.44Å; A599-G603 PolarHBondContact O-N 3.03Å; A599-F689 HydrophobicContact CB-CE1 4.11Å
600Y87.9Confident84.6Confident1 Ų127.6 Ų27.60%0.00414%0.141CC..Hα-helixtrans-57.8-49.9173.6164.2-107.7000111.3L366 Q576 F577 L580 A596 Q597 G603 L604L366-Y600 WeakPolarHBondContact CD1-OH 3.37Å; Q576-Y600 VanDerWaalsContact C-CE2 3.49Å; Q576-Y600 HydrophobicContact CB-CD2 3.73Å; Q576-Y600 HydrophobicContact CB-CE2 3.61Å; F577-Y600 HydrophobicContact CB-CE2 4.35Å; L580-Y600 HydrophobicContact CB-CD2 4.12Å; L580-Y600 HydrophobicContact CB-CG 4.27Å; L580-Y600 HydrophobicContact CD2-CD1 3.74Å; L580-Y600 HydrophobicContact CD2-CD2 4.39Å; L580-Y600 HydrophobicContact CD2-CE1 3.95Å; L580-Y600 HydrophobicContact CD2-CG 3.96Å; L580-Y600 HydrophobicContact CG-CG 4.47Å; A596-Y600 VanDerWaalsContact O-CB 3.26Å; A596-Y600 WeakPolarHBondContact O-CB 3.29Å; A596-Y600 PolarHBondContact O-N 3.14Å; Q597-Y600 WeakPolarHBondContact O-CB 3.13Å; Q597-Y600 PolarHBondContact O-N 3.14Å; Y600-G603 CarbonylContact O-C 3.59Å; Y600-G603 PolarHBondContact O-N 3Å; Y600-L604 HydrophobicContact CD1-CD1 4.24Å; Y600-L604 HydrophobicContact CD2-CD1 4.42Å; Y600-L604 HydrophobicContact CD2-CG 4.2Å; Y600-L604 HydrophobicContact CE1-CD1 3.53Å; Y600-L604 HydrophobicContact CE1-CG 4.3Å; Y600-L604 HydrophobicContact CE2-CD1 3.72Å; Y600-L604 HydrophobicContact CE2-CD2 4.01Å; Y600-L604 HydrophobicContact CE2-CG 3.77Å; Y600-L604 WeakPolarHBondContact O-CG 3.39Å; Y600-L604 PolarHBondContact O-N 3.07Å; Y600-L604 WeakPolarHBondContact OH-CD1 3.48Å
601L87.9Confident84.5Confident5 Ų531.9 Ų31.93%0.02616%0.159CC..Hα-helixtrans-67.3-42.7-179.6-79.8170.1000113I487 A490 Y491 L494 Q597 E598 G603 L604 Q605I487-L601 HydrophobicContact CB-CD1 4.1Å; I487-L601 HydrophobicContact CG1-CD1 3.98Å; I487-L601 HydrophobicContact CG2-CD1 3.67Å; A490-L601 HydrophobicContact CB-CD1 4.33Å; A490-L601 HydrophobicContact CB-CD2 4.46Å; Y491-L601 HydrophobicContact CD1-CD2 3.79Å; Y491-L601 HydrophobicContact CD2-CD1 4.11Å; Y491-L601 HydrophobicContact CD2-CD2 4.17Å; Y491-L601 HydrophobicContact CE1-CD2 3.56Å; Y491-L601 HydrophobicContact CE2-CD1 3.71Å; Y491-L601 HydrophobicContact CE2-CD2 3.98Å; Y491-L601 HydrophobicContact CE2-CG 4.31Å; Y491-L601 HydrophobicContact CG-CD2 4.07Å; L494-L601 HydrophobicContact CD1-CD2 3.96Å; Q597-L601 HydrophobicContact CG-CD1 4.36Å; Q597-L601 WeakPolarHBondContact O-CB 3.5Å; Q597-L601 WeakPolarHBondContact O-CG 3.45Å; Q597-L601 PolarHBondContact O-N 3Å; E598-L601 PolarHBondContact O-N 3.35Å; L601-G603 PolarHBondContact O-N 2.84Å; L601-L604 HydrophobicContact CD2-CD1 4.49Å; L601-L604 PolarHBondContact O-N 3.02Å; L601-Q605 WeakPolarHBondContact O-CB 3.42Å; L601-Q605 VanDerWaalsContact O-CG 3.31Å; L601-Q605 WeakPolarHBondContact O-CG 3.28Å; L601-Q605 PolarHBondContact O-N 3.42Å
602A85.8Confident84.4Confident26 Ų2628.6 Ų28.622%0.21515%0.15CC..Hα-helixtrans-59.1-39.1174.400000110.6E598 Q605 A606 V687E598-A602 VanDerWaalsContact O-CB 3.3Å; E598-A602 WeakPolarHBondContact O-CB 3.43Å; E598-A602 PolarHBondContact O-N 3.48Å; A602-Q605 PolarHBondContact O-N 3.16Å; A602-A606 WeakPolarHBondContact O-CB 3.02Å; A602-A606 PolarHBondContact O-N 3.2Å; A602-V687 HydrophobicContact CB-CG1 3.66Å
603G85.3Confident84.2Confident0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-72.4-38.3175.300000115.5A599 Y600 L601 Q605 A606 Q607 V687A599-G603 PolarHBondContact O-N 3.03Å; Y600-G603 CarbonylContact O-C 3.59Å; Y600-G603 PolarHBondContact O-N 3Å; L601-G603 PolarHBondContact O-N 2.84Å; G603-Q605 VanDerWaalsContact C-N 3.33Å; G603-Q605 PolarHBondContact O-N 3.25Å; G603-A606 PolarHBondContact O-N 3.49Å; G603-Q607 VanDerWaalsContact O-CB 3.25Å; G603-Q607 WeakPolarHBondContact O-CB 3.42Å; G603-Q607 VanDerWaalsContact O-CG 3.29Å; G603-Q607 WeakPolarHBondContact O-CG 3.45Å; G603-Q607 PolarHBondContact O-N 3.02Å; G603-V687 WeakPolarHBondContact CA-O 3.45Å; G603-V687 PolarHBondContact N-O 3.4Å
604L87Confident84.1Confident1 Ų135.3 Ų35.31%0.00519%0.191CC..Hα-helixtrans-59.5-45.7169.6-75.2-172.3000111.4L366 L494 V572 I573 Q576 Y600 L601 A606 Q607 A608L366-L604 HydrophobicContact CD1-CD1 3.96Å; L366-L604 HydrophobicContact CD2-CD1 4.42Å; L494-L604 HydrophobicContact CD1-CB 3.94Å; L494-L604 HydrophobicContact CD1-CD1 4.04Å; L494-L604 HydrophobicContact CD2-CB 4.31Å; V572-L604 HydrophobicContact CG1-CD2 3.83Å; I573-L604 HydrophobicContact CG1-CD2 4.08Å; Q576-L604 HydrophobicContact CB-CD2 3.91Å; Q576-L604 HydrophobicContact CG-CD2 4.18Å; Y600-L604 HydrophobicContact CD1-CD1 4.24Å; Y600-L604 HydrophobicContact CD2-CD1 4.42Å; Y600-L604 HydrophobicContact CD2-CG 4.2Å; Y600-L604 HydrophobicContact CE1-CD1 3.53Å; Y600-L604 HydrophobicContact CE1-CG 4.3Å; Y600-L604 HydrophobicContact CE2-CD1 3.72Å; Y600-L604 HydrophobicContact CE2-CD2 4.01Å; Y600-L604 HydrophobicContact CE2-CG 3.77Å; Y600-L604 WeakPolarHBondContact O-CG 3.39Å; Y600-L604 PolarHBondContact O-N 3.07Å; Y600-L604 WeakPolarHBondContact OH-CD1 3.48Å; L601-L604 HydrophobicContact CD2-CD1 4.49Å; L601-L604 PolarHBondContact O-N 3.02Å; L604-A606 VanDerWaalsContact C-N 3.35Å; L604-A606 PolarHBondContact O-N 3.42Å; L604-Q607 PolarHBondContact O-N 3.49Å; L604-A608 WeakPolarHBondContact O-CA 3.45Å; L604-A608 WeakPolarHBondContact O-CB 3.42Å; L604-A608 PolarHBondContact O-N 3.42Å
605Q86.5Confident84.1Confident17 Ų1733.2 Ų33.28%0.07918%0.181CC..Hα-helixtrans-65.2-39.7-179.8-71-176.7-36.900112.2A490 L494 L601 A602 G603 L610 F611A490-Q605 VanDerWaalsContact CA-NE2 3.34Å; A490-Q605 PolarHBondContact O-NE2 2.96Å; L494-Q605 HydrophobicContact CD1-CG 4.21Å; L494-Q605 HydrophobicContact CD2-CG 4.22Å; L494-Q605 HydrophobicContact CG-CG 4.14Å; L601-Q605 WeakPolarHBondContact O-CB 3.42Å; L601-Q605 VanDerWaalsContact O-CG 3.31Å; L601-Q605 WeakPolarHBondContact O-CG 3.28Å; L601-Q605 PolarHBondContact O-N 3.42Å; A602-Q605 PolarHBondContact O-N 3.16Å; G603-Q605 VanDerWaalsContact C-N 3.33Å; G603-Q605 PolarHBondContact O-N 3.25Å; Q605-L610 HydrophobicContact CB-CD1 4.37Å; Q605-L610 HydrophobicContact CG-CD1 4.11Å; Q605-L610 WeakPolarHBondContact O-CB 3.43Å; Q605-L610 PolarHBondContact O-N 3.49Å; Q605-F611 HydrophobicContact CB-CD2 4.38Å; Q605-F611 HydrophobicContact CB-CE1 4.1Å; Q605-F611 HydrophobicContact CB-CE2 3.66Å; Q605-F611 HydrophobicContact CB-CZ 3.49Å; Q605-F611 VanDerWaalsContact CB-CZ 3.49Å; Q605-F611 HydrophobicContact CG-CZ 4.4Å
606A83.2Confident84Confident8 Ų832.4 Ų32.47%0.06617%0.174CC..Hα-helixtrans-68.1-44.8176.600000111.7A602 G603 L604 L609 F611 S685 V687A602-A606 WeakPolarHBondContact O-CB 3.02Å; A602-A606 PolarHBondContact O-N 3.2Å; G603-A606 PolarHBondContact O-N 3.49Å; L604-A606 VanDerWaalsContact C-N 3.35Å; L604-A606 PolarHBondContact O-N 3.42Å; A606-L609 PolarHBondContact O-N 2.7Å; A606-F611 HydrophobicContact CB-CD2 3.7Å; A606-F611 HydrophobicContact CB-CE2 4.03Å; A606-S685 WeakPolarHBondContact CA-OG 3.28Å; A606-S685 WeakPolarHBondContact CB-OG 3.36Å; A606-S685 PolarHBondContact O-OG 3.19Å; A606-V687 HydrophobicContact CB-CB 4.22Å
607Q83.1Confident84Confident7 Ų736.5 Ų36.53%0.03320%0.195CC..Hα-helixtrans-79-27.3-175.7-69.8173.9100112.9Y567 V572 Q576 G603 L604 L609 S685 T722Y567-Q607 PolarHBondContact OH-O 3.28Å; V572-Q607 HydrophobicContact CB-CB 4.44Å; V572-Q607 HydrophobicContact CG1-CB 3.57Å; V572-Q607 HydrophobicContact CG2-CB 4.01Å; Q576-Q607 VanDerWaalsContact CG-OE1 3.31Å; Q576-Q607 VanDerWaalsContact NE2-NE2 3.12Å; G603-Q607 VanDerWaalsContact O-CB 3.25Å; G603-Q607 WeakPolarHBondContact O-CB 3.42Å; G603-Q607 VanDerWaalsContact O-CG 3.29Å; G603-Q607 WeakPolarHBondContact O-CG 3.45Å; G603-Q607 PolarHBondContact O-N 3.02Å; L604-Q607 PolarHBondContact O-N 3.49Å; Q607-L609 PolarHBondContact O-N 2.97Å; Q607-S685 PolarHBondContact N-OG 3.38Å; Q607-S685 VanDerWaalsContact N-OG 3.15Å; Q607-T722 VanDerWaalsContact CD-OG1 3.28Å; Q607-T722 PolarHBondContact OE1-OG1 2.93Å
608A82Confident83.9Confident4 Ų436.6 Ų36.63%0.03320%0.196CC..THydrogen-bonded Turntrans-76.410.2169.800000113.3L494 F497 L568 L604 L610L494-A608 HydrophobicContact CD2-CB 4.03Å; F497-A608 WeakPolarHBondContact CE1-O 3.33Å; L568-A608 HydrophobicContact CD2-CB 3.77Å; L604-A608 WeakPolarHBondContact O-CA 3.45Å; L604-A608 WeakPolarHBondContact O-CB 3.42Å; L604-A608 PolarHBondContact O-N 3.42Å; A608-L610 HydrophobicContact CB-CG 4.41Å; A608-L610 PolarHBondContact O-N 2.74Å
609L81.9Confident83.9Confident4 Ų431.8 Ų31.82%0.02117%0.174CC..THydrogen-bonded Turntrans66.216.3174.9-50.8164.8000113.9A606 Q607 F611 M612 I615 I619 L675 L724A606-L609 PolarHBondContact O-N 2.7Å; Q607-L609 PolarHBondContact O-N 2.97Å; L609-F611 VanDerWaalsContact C-N 3.35Å; L609-F611 PolarHBondContact O-N 2.81Å; L609-M612 HydrophobicContact CD2-SD 3.97Å; L609-M612 PolarHBondContact O-N 3.34Å; L609-I615 HydrophobicContact CB-CG2 4.1Å; L609-I615 HydrophobicContact CD1-CG2 3.91Å; L609-I615 HydrophobicContact CD2-CG2 4.45Å; L609-I615 HydrophobicContact CG-CG2 4.37Å; L609-I619 HydrophobicContact CD1-CD1 3.96Å; L609-L675 HydrophobicContact CD1-CD2 4.33Å; L609-L675 HydrophobicContact CD2-CD2 4.46Å; L609-L724 HydrophobicContact CD2-CD2 3.88Å
610L79.1Confident83.9Confident21 Ų2133.8 Ų33.811%0.1118%0.179CC..THydrogen-bonded Turntrans-72.4-27.5-177.7-67.4179.7000113.5L494 F497 Q605 A608 M612 K616L494-L610 HydrophobicContact CD2-CD1 3.59Å; L494-L610 HydrophobicContact CG-CD1 4.09Å; F497-L610 HydrophobicContact CB-CD2 3.83Å; F497-L610 HydrophobicContact CD1-CD2 3.9Å; F497-L610 HydrophobicContact CD2-CD2 3.96Å; F497-L610 HydrophobicContact CE1-CD2 4.43Å; F497-L610 HydrophobicContact CG-CD2 3.62Å; Q605-L610 HydrophobicContact CB-CD1 4.37Å; Q605-L610 HydrophobicContact CG-CD1 4.11Å; Q605-L610 WeakPolarHBondContact O-CB 3.43Å; Q605-L610 PolarHBondContact O-N 3.49Å; A608-L610 HydrophobicContact CB-CG 4.41Å; A608-L610 PolarHBondContact O-N 2.74Å; L610-M612 VanDerWaalsContact C-N 3.3Å; L610-K616 HydrophobicContact CD2-CD 4.22Å
611F78.6Confident83.8Confident111 Ų11136.7 Ų36.749%0.48719%0.193SC..THydrogen-bonded Turntrans-85-0.7176.2-61.8-37.6000113.7Q605 A606 L609 P613Q605-F611 HydrophobicContact CB-CD2 4.38Å; Q605-F611 HydrophobicContact CB-CE1 4.1Å; Q605-F611 HydrophobicContact CB-CE2 3.66Å; Q605-F611 HydrophobicContact CB-CZ 3.49Å; Q605-F611 VanDerWaalsContact CB-CZ 3.49Å; Q605-F611 HydrophobicContact CG-CZ 4.4Å; A606-F611 HydrophobicContact CB-CD2 3.7Å; A606-F611 HydrophobicContact CB-CE2 4.03Å; L609-F611 VanDerWaalsContact C-N 3.35Å; L609-F611 PolarHBondContact O-N 2.81Å; F611-P613 VanDerWaalsContact O-CD 3.28Å; F611-P613 WeakPolarHBondContact O-CD 3.41Å
612M79.3Confident83.8Confident52 Ų5236.8 Ų36.826%0.25619%0.193SC..  trans-104.392.9175.9-59-173.485.300108.4L609 L610 D614 I615 K616 S678L609-M612 HydrophobicContact CD2-SD 3.97Å; L609-M612 PolarHBondContact O-N 3.34Å; L610-M612 VanDerWaalsContact C-N 3.3Å; M612-D614 VanDerWaalsContact C-N 3.3Å; M612-D614 PolarHBondContact O-N 3.36Å; M612-I615 HydrophobicContact CB-CB 4.02Å; M612-I615 HydrophobicContact CB-CD1 4.14Å; M612-I615 HydrophobicContact CB-CG1 4.23Å; M612-I615 HydrophobicContact CE-CD1 3.66Å; M612-I615 PolarHBondContact O-N 3.11Å; M612-I615 HydrophobicContact SD-CD1 3.69Å; M612-K616 VanDerWaalsContact O-CB 3.29Å; M612-K616 WeakPolarHBondContact O-CB 3.32Å; M612-K616 PolarHBondContact O-N 2.95Å; M612-S678 VanDerWaalsContact CE-OG 3.22Å; M612-S678 WeakPolarHBondContact CE-OG 3.47Å
613P79.1Confident83.8Confident91 Ų9136 Ų3659%0.59119%0.185SC*.Hα-helixtrans-60.7-39.1-170.224.1-33.8000112.4F611 L617F611-P613 VanDerWaalsContact O-CD 3.28Å; F611-P613 WeakPolarHBondContact O-CD 3.41Å; P613-L617 WeakPolarHBondContact O-CB 3.47Å; P613-L617 PolarHBondContact O-N 2.79Å
614D82.9Confident83.9Confident114 Ų11439.2 Ų39.261%0.6120%0.203SC*.Hα-helixtrans-66.6-46.3-178.7-56.2-37.1000111.5M612 L617 C618 L674M612-D614 VanDerWaalsContact C-N 3.3Å; M612-D614 PolarHBondContact O-N 3.36Å; D614-L617 PolarHBondContact O-N 3.26Å; D614-C618 VanDerWaalsContact O-CB 3.24Å; D614-C618 WeakPolarHBondContact O-CB 3.21Å; D614-C618 PolarHBondContact O-N 2.94Å; D614-L674 HydrophobicContact CB-CD1 4.42Å
615I83.5Confident83.9Confident3 Ų341.6 Ų41.62%0.01521%0.212CC..Hα-helixtrans-66.7-45.6178.1-62.8-177.9000110.5L609 M612 L617 C618 I619 L671 L674 L675L609-I615 HydrophobicContact CB-CG2 4.1Å; L609-I615 HydrophobicContact CD1-CG2 3.91Å; L609-I615 HydrophobicContact CD2-CG2 4.45Å; L609-I615 HydrophobicContact CG-CG2 4.37Å; M612-I615 HydrophobicContact CB-CB 4.02Å; M612-I615 HydrophobicContact CB-CD1 4.14Å; M612-I615 HydrophobicContact CB-CG1 4.23Å; M612-I615 HydrophobicContact CE-CD1 3.66Å; M612-I615 PolarHBondContact O-N 3.11Å; M612-I615 HydrophobicContact SD-CD1 3.69Å; I615-L617 VanDerWaalsContact C-N 3.33Å; I615-L617 PolarHBondContact O-N 3.16Å; I615-C618 WeakPolarHBondContact O-CB 3.23Å; I615-C618 PolarHBondContact O-N 3.34Å; I615-I619 HydrophobicContact CG2-CD1 3.87Å; I615-I619 HydrophobicContact CG2-CG1 4.41Å; I615-I619 WeakPolarHBondContact O-CG1 3.49Å; I615-I619 PolarHBondContact O-N 3.09Å; I615-L671 HydrophobicContact CG2-CD1 3.84Å; I615-L674 HydrophobicContact CG1-CB 4.14Å; I615-L675 HydrophobicContact CD1-CD2 4.08Å; I615-L675 HydrophobicContact CG2-CD2 4.42Å
616K84.1Confident83.8Confident79 Ų7940.9 Ų40.934%0.34321%0.209SC..Hα-helixtrans-58.1-47.2176.9178.9-175.8174.2-177.60111.2L610 M612 C618 I619 L620L610-K616 HydrophobicContact CD2-CD 4.22Å; M612-K616 VanDerWaalsContact O-CB 3.29Å; M612-K616 WeakPolarHBondContact O-CB 3.32Å; M612-K616 PolarHBondContact O-N 2.95Å; K616-C618 VanDerWaalsContact C-N 3.29Å; K616-C618 PolarHBondContact O-N 3.34Å; K616-I619 PolarHBondContact O-N 2.92Å; K616-L620 HydrophobicContact CG-CD1 4.14Å; K616-L620 VanDerWaalsContact O-CG 3.29Å; K616-L620 WeakPolarHBondContact O-CG 3.37Å; K616-L620 PolarHBondContact O-N 2.94Å
617L85.6Confident83.8Confident88 Ų8841.3 Ų41.346%0.46121%0.211SC..Hα-helixtrans-64.7-38178.6-174140.3000110.9P613 D614 I615 L620 Q621P613-L617 WeakPolarHBondContact O-CB 3.47Å; P613-L617 PolarHBondContact O-N 2.79Å; D614-L617 PolarHBondContact O-N 3.26Å; I615-L617 VanDerWaalsContact C-N 3.33Å; I615-L617 PolarHBondContact O-N 3.16Å; L617-L620 PolarHBondContact O-N 2.62Å; L617-Q621 VanDerWaalsContact CD2-CD 3.49Å; L617-Q621 HydrophobicContact CD2-CG 4.29Å; L617-Q621 WeakPolarHBondContact O-CB 3.36Å; L617-Q621 VanDerWaalsContact O-CG 3.3Å; L617-Q621 WeakPolarHBondContact O-CG 3.29Å; L617-Q621 PolarHBondContact O-N 2.57Å
618C85.1Confident83.9Confident2 Ų243.4 Ų43.41%0.01422%0.221CC..Hα-helixtrans-61.9-47.7175.5-170.50000112.2D614 I615 K616 Q621 L622 Q667 L671 L674D614-C618 VanDerWaalsContact O-CB 3.24Å; D614-C618 WeakPolarHBondContact O-CB 3.21Å; D614-C618 PolarHBondContact O-N 2.94Å; I615-C618 WeakPolarHBondContact O-CB 3.23Å; I615-C618 PolarHBondContact O-N 3.34Å; K616-C618 VanDerWaalsContact C-N 3.29Å; K616-C618 PolarHBondContact O-N 3.34Å; C618-Q621 PolarHBondContact O-N 3.35Å; C618-L622 WeakPolarHBondContact O-CG 3.49Å; C618-L622 PolarHBondContact O-N 2.99Å; C618-Q667 PolarHBondContact SG-NE2 3.46Å; C618-Q667 PolarHBondContact SG-O 2.83Å; C618-L671 HydrophobicContact CB-CD1 4.38Å; C618-L674 HydrophobicContact CB-CD1 4.44Å
619I87.2Confident84Confident2 Ų243.3 Ų43.31%0.0122%0.22CC..Hα-helixtrans-60.1-48.5175.3-66.9168.1000110.5F497 L564 L609 I615 K616 Q621 L622 L623 L671F497-I619 HydrophobicContact CE2-CG2 4.06Å; F497-I619 HydrophobicContact CZ-CD1 4.17Å; F497-I619 HydrophobicContact CZ-CG2 4.16Å; L564-I619 HydrophobicContact CD1-CG2 4.36Å; L564-I619 HydrophobicContact CD2-CD1 4.4Å; L609-I619 HydrophobicContact CD1-CD1 3.96Å; I615-I619 HydrophobicContact CG2-CD1 3.87Å; I615-I619 HydrophobicContact CG2-CG1 4.41Å; I615-I619 WeakPolarHBondContact O-CG1 3.49Å; I615-I619 PolarHBondContact O-N 3.09Å; K616-I619 PolarHBondContact O-N 2.92Å; I619-Q621 VanDerWaalsContact C-N 3.27Å; I619-Q621 PolarHBondContact O-N 3.08Å; I619-L622 WeakPolarHBondContact O-CB 3.38Å; I619-L622 PolarHBondContact O-N 3.06Å; I619-L622 VanDerWaalsContact O-N 3.12Å; I619-L623 HydrophobicContact CG2-CD1 4.22Å; I619-L623 HydrophobicContact CG2-CG 4.37Å; I619-L623 VanDerWaalsContact O-CG 3.31Å; I619-L623 WeakPolarHBondContact O-CG 3.33Å; I619-L623 PolarHBondContact O-N 3.03Å; I619-L671 HydrophobicContact CD1-CD1 4.41Å; I619-L671 HydrophobicContact CG1-CD1 3.85Å; I619-L671 HydrophobicContact CG1-CD2 4.19Å
620L86.4Confident84Confident73 Ų7343.5 Ų43.538%0.38222%0.221SC..Hα-helixtrans-61.3-36.5179-69.9173.8000112.4K616 L617 L623 N624K616-L620 HydrophobicContact CG-CD1 4.14Å; K616-L620 VanDerWaalsContact O-CG 3.29Å; K616-L620 WeakPolarHBondContact O-CG 3.37Å; K616-L620 PolarHBondContact O-N 2.94Å; L617-L620 PolarHBondContact O-N 2.62Å; L620-L623 HydrophobicContact CD2-CD1 4.35Å; L620-L623 PolarHBondContact O-N 2.76Å; L620-N624 WeakPolarHBondContact O-CB 3.32Å; L620-N624 PolarHBondContact O-N 3.43Å
621Q86.2Confident84.1Confident63 Ų6345.1 Ų45.129%0.29423%0.23SC..Hα-helixtrans-66.6-42.3173.6-76.1177.7-20.900111.9L617 C618 I619 L623 N624 Y625 Q667L617-Q621 VanDerWaalsContact CD2-CD 3.49Å; L617-Q621 HydrophobicContact CD2-CG 4.29Å; L617-Q621 WeakPolarHBondContact O-CB 3.36Å; L617-Q621 VanDerWaalsContact O-CG 3.3Å; L617-Q621 WeakPolarHBondContact O-CG 3.29Å; L617-Q621 PolarHBondContact O-N 2.57Å; C618-Q621 PolarHBondContact O-N 3.35Å; I619-Q621 VanDerWaalsContact C-N 3.27Å; I619-Q621 PolarHBondContact O-N 3.08Å; Q621-L623 VanDerWaalsContact C-N 3.34Å; Q621-L623 PolarHBondContact O-N 3.31Å; Q621-N624 WeakPolarHBondContact O-CB 3.45Å; Q621-N624 PolarHBondContact O-N 2.88Å; Q621-Y625 HydrophobicContact CB-CE2 4.18Å; Q621-Y625 WeakPolarHBondContact O-CD2 3.24Å; Q621-Y625 PolarHBondContact O-N 3.19Å; Q621-Q667 HydrophobicContact CB-CG 4.47Å
622L87.1Confident84.1Confident7 Ų741.8 Ų41.84%0.03722%0.217CC..Hα-helixtrans-59.2-44.5174-72.8168.4000112C618 I619 N624 Y625 C626 F664 Q667 A668 L671C618-L622 WeakPolarHBondContact O-CG 3.49Å; C618-L622 PolarHBondContact O-N 2.99Å; I619-L622 WeakPolarHBondContact O-CB 3.38Å; I619-L622 PolarHBondContact O-N 3.06Å; I619-L622 VanDerWaalsContact O-N 3.12Å; L622-N624 VanDerWaalsContact C-N 3.31Å; L622-N624 PolarHBondContact O-N 2.94Å; L622-Y625 PolarHBondContact O-N 3.45Å; L622-C626 PolarHBondContact O-N 3.4Å; L622-C626 PolarHBondContact O-SG 3.06Å; L622-F664 HydrophobicContact CD2-CD2 3.64Å; L622-F664 HydrophobicContact CD2-CE2 3.67Å; L622-F664 HydrophobicContact CD2-CG 4.46Å; L622-F664 HydrophobicContact CD2-CZ 4.5Å; L622-Q667 HydrophobicContact CD2-CB 3.75Å; L622-Q667 HydrophobicContact CD2-CG 3.72Å; L622-Q667 HydrophobicContact CG-CB 4.36Å; L622-Q667 HydrophobicContact CG-CG 3.77Å; L622-A668 HydrophobicContact CD2-CB 4.12Å; L622-L671 HydrophobicContact CD1-CB 4.08Å; L622-L671 HydrophobicContact CD1-CD2 3.56Å; L622-L671 HydrophobicContact CD1-CG 4.39Å
623L87.5Confident83.9Confident8 Ų839.3 Ų39.34%0.04220%0.204CC..Hα-helixtrans-61.3-41.2176.1-63.4176.3000111.5A500 I501 T504 I561 I619 L620 Q621 C626 C627A500-L623 HydrophobicContact CB-CD1 4.16Å; I501-L623 HydrophobicContact CG1-CD1 3.73Å; I501-L623 HydrophobicContact CG1-CD2 4.27Å; T504-L623 HydrophobicContact CG2-CB 4.48Å; T504-L623 HydrophobicContact CG2-CD2 3.99Å; I561-L623 HydrophobicContact CD1-CD2 4.25Å; I561-L623 HydrophobicContact CG1-CD2 4.12Å; I619-L623 HydrophobicContact CG2-CD1 4.22Å; I619-L623 HydrophobicContact CG2-CG 4.37Å; I619-L623 VanDerWaalsContact O-CG 3.31Å; I619-L623 WeakPolarHBondContact O-CG 3.33Å; I619-L623 PolarHBondContact O-N 3.03Å; L620-L623 HydrophobicContact CD2-CD1 4.35Å; L620-L623 PolarHBondContact O-N 2.76Å; Q621-L623 VanDerWaalsContact C-N 3.34Å; Q621-L623 PolarHBondContact O-N 3.31Å; L623-C626 PolarHBondContact O-N 3.14Å; L623-C627 PolarHBondContact O-N 3.35Å; L623-C627 PolarHBondContact O-SG 3.2Å
624N86.3Confident83.6Confident69 Ų6936.2 Ų36.237%0.36918%0.183SC..Hα-helixtrans-64.9-44176.4-169.811.4000111.7L620 Q621 L622 C626 C627 Q628L620-N624 WeakPolarHBondContact O-CB 3.32Å; L620-N624 PolarHBondContact O-N 3.43Å; Q621-N624 WeakPolarHBondContact O-CB 3.45Å; Q621-N624 PolarHBondContact O-N 2.88Å; L622-N624 VanDerWaalsContact C-N 3.31Å; L622-N624 PolarHBondContact O-N 2.94Å; N624-C626 VanDerWaalsContact C-N 3.32Å; N624-C626 PolarHBondContact O-N 3.18Å; N624-C627 PolarHBondContact O-N 3.37Å; N624-Q628 VanDerWaalsContact CG-NE2 3.34Å; N624-Q628 PolarHBondContact ND2-NE2 2.97Å; N624-Q628 WeakPolarHBondContact O-CB 3.17Å; N624-Q628 VanDerWaalsContact O-CG 3.3Å; N624-Q628 WeakPolarHBondContact O-CG 3.33Å; N624-Q628 PolarHBondContact O-N 3.22Å; N624-Q628 PolarHBondContact OD1-NE2 3.17Å
625Y86.1Confident83Confident51 Ų5135.2 Ų35.220%0.218%0.175CC..Hα-helixtrans-61.5-40.2175.2-67.8-50.8000112.2Q621 L622 C627 Q628 F629 M660 K663 Q667Q621-Y625 HydrophobicContact CB-CE2 4.18Å; Q621-Y625 WeakPolarHBondContact O-CD2 3.24Å; Q621-Y625 PolarHBondContact O-N 3.19Å; L622-Y625 PolarHBondContact O-N 3.45Å; Y625-C627 PolarHBondContact O-N 2.74Å; Y625-Q628 PolarHBondContact O-N 2.82Å; Y625-F629 WeakPolarHBondContact O-CB 3.49Å; Y625-F629 PolarHBondContact O-N 3.03Å; Y625-M660 HydrophobicContact CD1-CG 4.15Å; Y625-M660 VanDerWaalsContact O-SD 3.34Å; Y625-K663 HydrophobicContact CE1-CB 4.22Å; Y625-K663 HydrophobicContact CE1-CD 4.39Å; Y625-Q667 HydrophobicContact CE2-CB 4.27Å; Y625-Q667 HydrophobicContact CE2-CG 4.28Å
626C86Confident82Confident2 Ų235.7 Ų35.71%0.01418%0.177CC..Hα-helixtrans-62.5-42.8174.8-65.80000111.9T504 L508 M557 I561 L622 L623 N624 F629 V630 F664T504-C626 HydrophobicContact CG2-CB 3.31Å; L508-C626 HydrophobicContact CD1-CB 4.26Å; L508-C626 HydrophobicContact CD2-CB 4.47Å; M557-C626 HydrophobicContact SD-CB 4.36Å; I561-C626 HydrophobicContact CD1-CB 4.24Å; L622-C626 PolarHBondContact O-N 3.4Å; L622-C626 PolarHBondContact O-SG 3.06Å; L623-C626 PolarHBondContact O-N 3.14Å; N624-C626 VanDerWaalsContact C-N 3.32Å; N624-C626 PolarHBondContact O-N 3.18Å; C626-F629 WeakPolarHBondContact O-CB 3.3Å; C626-F629 PolarHBondContact O-N 3.31Å; C626-V630 WeakPolarHBondContact O-CG2 3.43Å; C626-V630 PolarHBondContact O-N 3.4Å; C626-F664 VanDerWaalsContact SG-CE2 3.54Å
627C83.4Confident80.8Confident16 Ų1635.2 Ų35.211%0.10817%0.173CC..Hα-helixtrans-64.2-47.3175.7-70.10000111.6L623 N624 Y625 F629 V630 D631L623-C627 PolarHBondContact O-N 3.35Å; L623-C627 PolarHBondContact O-SG 3.2Å; N624-C627 PolarHBondContact O-N 3.37Å; Y625-C627 PolarHBondContact O-N 2.74Å; C627-F629 VanDerWaalsContact C-N 3.27Å; C627-F629 PolarHBondContact O-N 2.88Å; C627-V630 PolarHBondContact O-N 2.8Å; C627-D631 VanDerWaalsContact O-CG 3.3Å; C627-D631 PolarHBondContact O-N 3.38Å
628Q83.7Confident79.2Confident51 Ų5134.8 Ų34.824%0.23817%0.166CC..Hα-helixtrans-62.2-35.4177.7-69.1175.616.100111.9N624 Y625 D631 L632 M660N624-Q628 VanDerWaalsContact CG-NE2 3.34Å; N624-Q628 PolarHBondContact ND2-NE2 2.97Å; N624-Q628 WeakPolarHBondContact O-CB 3.17Å; N624-Q628 VanDerWaalsContact O-CG 3.3Å; N624-Q628 WeakPolarHBondContact O-CG 3.33Å; N624-Q628 PolarHBondContact O-N 3.22Å; N624-Q628 PolarHBondContact OD1-NE2 3.17Å; Y625-Q628 PolarHBondContact O-N 2.82Å; Q628-D631 PolarHBondContact O-N 3.03Å; Q628-L632 WeakPolarHBondContact O-CB 3.47Å; Q628-L632 WeakPolarHBondContact O-CG 3.36Å; Q628-L632 PolarHBondContact O-N 3.17Å; Q628-M660 HydrophobicContact CB-CE 3.63Å; Q628-M660 HydrophobicContact CB-SD 4.33Å; Q628-M660 WeakPolarHBondContact O-CE 3.11Å
629F84.7Confident77.6Confident2 Ų241.2 Ų41.21%0.00919%0.191CC..Hα-helixtrans-58.5-49.2174.8177.3-103.2000110.9F511 R550 V553 R554 M557 Y625 C626 C627 D631 S633 V657 M660 V661F511-F629 HydrophobicContact CD1-CE1 4.38Å; F511-F629 AromaticContact CE1-CE1 3.71Å; F511-F629 HydrophobicContact CE1-CE1 3.71Å; F511-F629 HydrophobicContact CE1-CZ 4.42Å; F511-F629 HydrophobicContact CZ-CE1 4.09Å; R550-F629 HydrophobicContact CB-CZ 4.41Å; R550-F629 HydrophobicContact CG-CZ 4.45Å; V553-F629 HydrophobicContact CB-CE2 4.38Å; V553-F629 HydrophobicContact CB-CZ 4.07Å; V553-F629 HydrophobicContact CG1-CD2 4.28Å; V553-F629 HydrophobicContact CG1-CE1 4.29Å; V553-F629 HydrophobicContact CG1-CE2 3.77Å; V553-F629 HydrophobicContact CG1-CZ 3.77Å; R554-F629 HydrophobicContact CB-CE1 4.43Å; M557-F629 HydrophobicContact CE-CB 3.85Å; M557-F629 HydrophobicContact CE-CD1 4.26Å; M557-F629 HydrophobicContact CE-CD2 4.11Å; M557-F629 HydrophobicContact CE-CG 3.81Å; M557-F629 HydrophobicContact SD-CB 4.02Å; M557-F629 HydrophobicContact SD-CD1 3.78Å; M557-F629 HydrophobicContact SD-CE1 4.44Å; M557-F629 HydrophobicContact SD-CG 3.9Å; Y625-F629 WeakPolarHBondContact O-CB 3.49Å; Y625-F629 PolarHBondContact O-N 3.03Å; C626-F629 WeakPolarHBondContact O-CB 3.3Å; C626-F629 PolarHBondContact O-N 3.31Å; C627-F629 VanDerWaalsContact C-N 3.27Å; C627-F629 PolarHBondContact O-N 2.88Å; F629-D631 VanDerWaalsContact C-N 3.34Å; F629-D631 PolarHBondContact O-N 2.82Å; F629-S633 WeakPolarHBondContact O-CB 3.34Å; F629-S633 PolarHBondContact O-N 3.23Å; F629-S633 PolarHBondContact O-OG 3.28Å; F629-V657 HydrophobicContact CD2-CG1 4.19Å; F629-V657 HydrophobicContact CE2-CG1 3.88Å; F629-M660 VanDerWaalsContact CA-CE 3.49Å; F629-M660 WeakPolarHBondContact CA-SD 3.29Å; F629-M660 HydrophobicContact CB-CE 4.27Å; F629-M660 HydrophobicContact CB-SD 3.48Å; F629-M660 WeakPolarHBondContact CB-SD 3.29Å; F629-M660 HydrophobicContact CD2-SD 4.22Å; F629-M660 HydrophobicContact CG-SD 4.36Å; F629-M660 VanDerWaalsContact N-CE 3.28Å; F629-M660 PolarHBondContact N-SD 3.21Å; F629-M660 VanDerWaalsContact N-SD 3.36Å; F629-V661 HydrophobicContact CD2-CG2 4.13Å; F629-V661 HydrophobicContact CE2-CG2 4.06Å
630V81.9Confident75.9Confident8 Ų844.5 Ų44.55%0.04821%0.209CC..Hα-helixtrans-61.1-44.4176.8174.50000110.7L508 F511 C626 C627 S633 N634L508-V630 HydrophobicContact CD2-CG2 3.88Å; F511-V630 HydrophobicContact CB-CG1 4.03Å; F511-V630 HydrophobicContact CB-CG2 3.92Å; F511-V630 HydrophobicContact CD2-CG1 4.14Å; F511-V630 HydrophobicContact CD2-CG2 4.49Å; F511-V630 HydrophobicContact CG-CG1 4.35Å; F511-V630 HydrophobicContact CG-CG2 4.1Å; C626-V630 WeakPolarHBondContact O-CG2 3.43Å; C626-V630 PolarHBondContact O-N 3.4Å; C627-V630 PolarHBondContact O-N 2.8Å; V630-S633 WeakPolarHBondContact CA-OG 3.36Å; V630-S633 PolarHBondContact O-OG 3.49Å; V630-S633 VanDerWaalsContact O-OG 3.1Å; V630-N634 VanDerWaalsContact O-CB 3.25Å; V630-N634 WeakPolarHBondContact O-CB 3.49Å; V630-N634 PolarHBondContact O-N 2.91Å; V630-N634 PolarHBondContact O-ND2 3.3Å
631D81.3Confident74.1Confident56 Ų5645.2 Ų45.230%0.29921%0.21SC..Hα-helixtrans-65.7-45.7-178.8-64-29.9000112.2C627 Q628 F629 Q635C627-D631 VanDerWaalsContact O-CG 3.3Å; C627-D631 PolarHBondContact O-N 3.38Å; Q628-D631 PolarHBondContact O-N 3.03Å; F629-D631 VanDerWaalsContact C-N 3.34Å; F629-D631 PolarHBondContact O-N 2.82Å; D631-Q635 WeakPolarHBondContact O-CG 3.35Å; D631-Q635 PolarHBondContact O-N 3.04Å
632L78.9Confident72.2Confident40 Ų4047.3 Ų47.321%0.20922%0.223CC..Hα-helixtrans-70.3-40.5179.1-69.9-171.7000112.9Q628 N634 Q635 Q636 V657 M660Q628-L632 WeakPolarHBondContact O-CB 3.47Å; Q628-L632 WeakPolarHBondContact O-CG 3.36Å; Q628-L632 PolarHBondContact O-N 3.17Å; L632-N634 VanDerWaalsContact C-N 3.32Å; L632-N634 PolarHBondContact O-N 2.91Å; L632-Q635 WeakPolarHBondContact O-CB 3.32Å; L632-Q635 PolarHBondContact O-N 2.9Å; L632-Q636 PolarHBondContact O-N 3.34Å; L632-V657 HydrophobicContact CB-CG2 4.05Å; L632-V657 HydrophobicContact CD1-CG2 4.46Å; L632-M660 HydrophobicContact CB-CE 4.33Å; L632-M660 HydrophobicContact CD1-CE 3.32Å; L632-M660 HydrophobicContact CG-CE 3.94Å
633S75.4Confident69.8Low0 Ų054.8 Ų54.80%026%0.259CS..Hα-helixtrans-67.8-34178.856.40000111.9F511 F629 V630 Y637F511-S633 WeakPolarHBondContact CE2-OG 3.34Å; F511-S633 VanDerWaalsContact CZ-OG 3.25Å; F511-S633 WeakPolarHBondContact CZ-OG 3.38Å; F629-S633 WeakPolarHBondContact O-CB 3.34Å; F629-S633 PolarHBondContact O-N 3.23Å; F629-S633 PolarHBondContact O-OG 3.28Å; V630-S633 WeakPolarHBondContact CA-OG 3.36Å; V630-S633 PolarHBondContact O-OG 3.49Å; V630-S633 VanDerWaalsContact O-OG 3.1Å; S633-Y637 PolarHBondContact O-N 3.34Å
634N72.5Confident67.7Low26 Ų2661.6 Ų61.614%0.13930%0.296CS..Hα-helixtrans-69.5-33.6170.5-74.9-20000112.7I400 V630 L632 Y637I400-N634 HydrophobicContact CD1-CB 3.83Å; V630-N634 VanDerWaalsContact O-CB 3.25Å; V630-N634 WeakPolarHBondContact O-CB 3.49Å; V630-N634 PolarHBondContact O-N 2.91Å; V630-N634 PolarHBondContact O-ND2 3.3Å; L632-N634 VanDerWaalsContact C-N 3.32Å; L632-N634 PolarHBondContact O-N 2.91Å; N634-Y637 WeakPolarHBondContact O-CB 3.4Å; N634-Y637 PolarHBondContact O-N 3.48Å
635Q69.8Low65.6Low93 Ų9364.3 Ų64.344%0.43531%0.308SS..Hα-helixtrans-65.6-45.8172.1-75.6175.2-4.100111.9D631 L632 Y637 Y638 Y639D631-Q635 WeakPolarHBondContact O-CG 3.35Å; D631-Q635 PolarHBondContact O-N 3.04Å; L632-Q635 WeakPolarHBondContact O-CB 3.32Å; L632-Q635 PolarHBondContact O-N 2.9Å; Q635-Y637 VanDerWaalsContact C-N 3.26Å; Q635-Y637 PolarHBondContact O-N 3.41Å; Q635-Y638 PolarHBondContact O-N 2.87Å; Q635-Y638 VanDerWaalsContact O-N 3.1Å; Q635-Y639 VanDerWaalsContact O-CD2 3.27Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.45Å; Q635-Y639 PolarHBondContact O-N 3.26Å
636Q62.3Low63.6Low13 Ų1367.2 Ų67.26%0.06133%0.327CS..Hα-helixtrans-56.2-40.3175.6-79.8-177-34.700112.4L632 Y638 Y639 D640 L653 S654L632-Q636 PolarHBondContact O-N 3.34Å; Q636-Y638 VanDerWaalsContact C-N 3.27Å; Q636-Y638 PolarHBondContact O-N 3.22Å; Q636-Y639 PolarHBondContact O-N 3Å; Q636-Y639 VanDerWaalsContact O-N 3.14Å; Q636-D640 PolarHBondContact O-N 3.48Å; Q636-L653 HydrophobicContact CG-CB 3.75Å; Q636-L653 HydrophobicContact CG-CD1 4.45Å; Q636-L653 HydrophobicContact CG-CD2 4.3Å; Q636-L653 HydrophobicContact CG-CG 4.4Å; Q636-L653 PolarHBondContact NE2-O 3.48Å; Q636-S654 VanDerWaalsContact NE2-CA 3.31Å
637Y59.6Low62Low69 Ų6971.7 Ų71.727%0.27135%0.35SS..Hα-helixtrans-57.7-35.9176.7171.7-100.4000113.6L518 S633 N634 Q635 Y639 H641L518-Y637 HydrophobicContact CD1-CD2 3.35Å; L518-Y637 HydrophobicContact CD1-CE2 3.22Å; L518-Y637 HydrophobicContact CD1-CG 4.25Å; L518-Y637 HydrophobicContact CD2-CD2 4.21Å; L518-Y637 HydrophobicContact CD2-CE2 3.18Å; L518-Y637 WeakPolarHBondContact CD2-OH 3.32Å; L518-Y637 HydrophobicContact CG-CD2 4.38Å; L518-Y637 HydrophobicContact CG-CE2 3.77Å; S633-Y637 PolarHBondContact O-N 3.34Å; N634-Y637 WeakPolarHBondContact O-CB 3.4Å; N634-Y637 PolarHBondContact O-N 3.48Å; Q635-Y637 VanDerWaalsContact C-N 3.26Å; Q635-Y637 PolarHBondContact O-N 3.41Å; Y637-Y639 VanDerWaalsContact C-N 3.35Å; Y637-H641 AromaticContact CD2-CD2 3.72Å; Y637-H641 AromaticContact CE1-CD2 3.91Å; Y637-H641 AromaticContact CE2-CD2 3.04Å; Y637-H641 WeakPolarHBondContact CE2-CD2 3.47Å; Y637-H641 AromaticContact CE2-NE2 3.09Å; Y637-H641 WeakPolarHBondContact CE2-NE2 3.4Å; Y637-H641 AromaticContact CZ-CD2 3.16Å; Y637-H641 AromaticContact CZ-NE2 3.4Å; Y637-H641 PolarHBondContact O-N 3.48Å; Y637-H641 PolarHBondContact OH-CD2 3.39Å; Y637-H641 PolarHBondContact OH-NE2 2.83Å
638Y52.3Low60.6Low79 Ų7976.9 Ų76.931%0.3138%0.377SS..Hα-helixtrans-69.3-34.5178.3-155.1-94.1000111.7T397 Q635 Q636 L642T397-Y638 WeakPolarHBondContact CB-OH 3.4Å; Q635-Y638 PolarHBondContact O-N 2.87Å; Q635-Y638 VanDerWaalsContact O-N 3.1Å; Q636-Y638 VanDerWaalsContact C-N 3.27Å; Q636-Y638 PolarHBondContact O-N 3.22Å; Y638-L642 HydrophobicContact CD1-CD1 3.5Å; Y638-L642 HydrophobicContact CE1-CD1 3.06Å; Y638-L642 HydrophobicContact CG-CD1 4.47Å; Y638-L642 PolarHBondContact O-N 2.99Å
639Y51.4Low58.9Low137 Ų13779.5 Ų79.554%0.53739%0.389SS..Hα-helixtrans-72.7-40.1176.7-72.6-74.3000112.5Q635 Q636 Y637 H641 L653Q635-Y639 VanDerWaalsContact O-CD2 3.27Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.45Å; Q635-Y639 PolarHBondContact O-N 3.26Å; Q636-Y639 PolarHBondContact O-N 3Å; Q636-Y639 VanDerWaalsContact O-N 3.14Å; Y637-Y639 VanDerWaalsContact C-N 3.35Å; Y639-H641 VanDerWaalsContact C-N 3.26Å; Y639-H641 PolarHBondContact O-N 3.14Å; Y639-L653 HydrophobicContact CD2-CD1 3.83Å; Y639-L653 HydrophobicContact CE2-CD1 4.11Å; Y639-L653 HydrophobicContact CG-CD1 4.44Å
640D51.4Low57.3Low71 Ų7181.3 Ų81.338%0.3840%0.399SS..Hα-helixtrans-65.7-26.3178.3-75.6-22.9000113.3Q636 N650Q636-D640 PolarHBondContact O-N 3.48Å; D640-N650 PolarHBondContact OD1-ND2 3.19Å
641H48.7Very low56.1Low88 Ų8886.1 Ų86.141%0.40742%0.421SS..Hα-helixtrans-89.6-31.2179.4-91.5-57.2000115.2Y637 Y639 M643Y637-H641 AromaticContact CD2-CD2 3.72Å; Y637-H641 AromaticContact CE1-CD2 3.91Å; Y637-H641 AromaticContact CE2-CD2 3.04Å; Y637-H641 WeakPolarHBondContact CE2-CD2 3.47Å; Y637-H641 AromaticContact CE2-NE2 3.09Å; Y637-H641 WeakPolarHBondContact CE2-NE2 3.4Å; Y637-H641 AromaticContact CZ-CD2 3.16Å; Y637-H641 AromaticContact CZ-NE2 3.4Å; Y637-H641 PolarHBondContact O-N 3.48Å; Y637-H641 PolarHBondContact OH-CD2 3.39Å; Y637-H641 PolarHBondContact OH-NE2 2.83Å; Y639-H641 VanDerWaalsContact C-N 3.26Å; Y639-H641 PolarHBondContact O-N 3.14Å; H641-M643 VanDerWaalsContact C-N 3.3Å; H641-M643 PolarHBondContact O-N 3.38Å; H641-M643 VanDerWaalsContact O-N 3.09Å
642L45.9Very low54.9Low107 Ų10788.5 Ų88.556%0.5643%0.43SS*.SBendtrans-84.578.5175.1-90.7151.5000109.6Y638 N644Y638-L642 HydrophobicContact CD1-CD1 3.5Å; Y638-L642 HydrophobicContact CE1-CD1 3.06Å; Y638-L642 HydrophobicContact CG-CD1 4.47Å; Y638-L642 PolarHBondContact O-N 2.99Å; L642-N644 PolarHBondContact O-N 3.44Å
643M37.3Very low54Low165 Ų16587.7 Ų87.781%0.81343%0.426SS*.SBendtrans9.587.1152.2-61.9-71.5173.200114.7H641H641-M643 VanDerWaalsContact C-N 3.3Å; H641-M643 PolarHBondContact O-N 3.38Å; H641-M643 VanDerWaalsContact O-N 3.09Å
644N43.2Very low53.6Low150 Ų15090.7 Ų90.780%0.80245%0.447SS*.  trans167.8115.4139-83.7-20.5000108.9L642 D646L642-N644 PolarHBondContact O-N 3.44Å; N644-D646 VanDerWaalsContact C-N 3.33Å; N644-D646 PolarHBondContact O-N 3.01Å
645M41.8Very low53.7Low127 Ų12794.5 Ų94.563%0.62647%0.467SS*.  trans-66.886175.1-63.2-75-170.100109.6
646D44.2Very low54Low111 Ų11195.6 Ų95.659%0.59447%0.471SS*.  trans-88.894.4150.7-75.4-22.8000106.1N644 D648 H649N644-D646 VanDerWaalsContact C-N 3.33Å; N644-D646 PolarHBondContact O-N 3.01Å; D646-D648 PolarHBondContact O-N 2.88Å; D646-D648 VanDerWaalsContact O-N 3.11Å; D646-H649 PolarHBondContact O-N 3.45Å
647D53.1Low54.7Low96 Ų9695.7 Ų95.751%0.51347%0.472SS..Hα-helixtrans-49.9-37.9-177.4-77.6-36.9000111.2H649 N650 H651D647-H649 PolarHBondContact O-N 3.42Å; D647-N650 PolarHBondContact O-N 2.78Å; D647-H651 WeakPolarHBondContact O-CB 3.39Å; D647-H651 PolarHBondContact O-N 3.46Å; D647-H651 PolarHBondContact O-ND1 2.87Å
648D53.1Low55.5Low125 Ų12595.2 Ų95.267%0.66847%0.472SS*.Hα-helixtrans-59.4-40.1-176.7-74.2-16.7000114.2D646 Q652D646-D648 PolarHBondContact O-N 2.88Å; D646-D648 VanDerWaalsContact O-N 3.11Å; D648-Q652 WeakPolarHBondContact O-CB 3.48Å; D648-Q652 VanDerWaalsContact O-CG 3.26Å; D648-Q652 WeakPolarHBondContact O-CG 3.35Å; D648-Q652 PolarHBondContact O-N 3.31Å
649H48.3Very low56.9Low107 Ų10796.3 Ų96.350%0.49548%0.48SS..Hα-helixtrans-75.1-37.2-179.1-77.7-51.8000112.2D646 D647 L653D646-H649 PolarHBondContact O-N 3.45Å; D647-H649 PolarHBondContact O-N 3.42Å; H649-L653 WeakPolarHBondContact O-CB 3.47Å; H649-L653 WeakPolarHBondContact O-CD1 3.43Å; H649-L653 WeakPolarHBondContact O-CG 3.38Å; H649-L653 PolarHBondContact O-N 3.47Å
650N51.3Low58.3Low39 Ų3990.2 Ų90.221%0.20946%0.457CS..Hα-helixtrans-67.3-39.8174.9-88.20.8000111.7D640 D647 L653 S654D640-N650 PolarHBondContact OD1-ND2 3.19Å; D647-N650 PolarHBondContact O-N 2.78Å; N650-L653 PolarHBondContact O-N 3.27Å; N650-S654 VanDerWaalsContact O-CB 3.29Å; N650-S654 WeakPolarHBondContact O-CB 3.27Å; N650-S654 PolarHBondContact O-N 3.08Å
651H56.6Low59.7Low110 Ų11087 Ų8751%0.50944%0.44SS..Hα-helixtrans-64.3-47.8174.1-73.774.1000111.1D647 L653 S654 D655D647-H651 WeakPolarHBondContact O-CB 3.39Å; D647-H651 PolarHBondContact O-N 3.46Å; D647-H651 PolarHBondContact O-ND1 2.87Å; H651-L653 VanDerWaalsContact C-N 3.32Å; H651-L653 PolarHBondContact O-N 3.41Å; H651-S654 WeakPolarHBondContact O-CB 3.28Å; H651-S654 PolarHBondContact O-N 3.42Å; H651-S654 VanDerWaalsContact O-N 3.11Å; H651-D655 VanDerWaalsContact O-CG 3.23Å; H651-D655 PolarHBondContact O-N 2.76Å
652Q56.5Low61.3Low105 Ų10585.5 Ų85.549%0.49144%0.435SS..Hα-helixtrans-59.5-38.9176.8-76.11771200113.4D648 K656D648-Q652 WeakPolarHBondContact O-CB 3.48Å; D648-Q652 VanDerWaalsContact O-CG 3.26Å; D648-Q652 WeakPolarHBondContact O-CG 3.35Å; D648-Q652 PolarHBondContact O-N 3.31Å; Q652-K656 WeakPolarHBondContact O-CG 3.27Å; Q652-K656 PolarHBondContact O-N 2.93Å; Q652-K656 VanDerWaalsContact O-N 3.13Å
653L58.7Low63.2Low24 Ų2484.7 Ų84.713%0.12643%0.427CS..Hα-helixtrans-69.8-40175.5-80.7156.3000111.2Q636 Y639 H649 N650 H651 K656 V657Q636-L653 HydrophobicContact CG-CB 3.75Å; Q636-L653 HydrophobicContact CG-CD1 4.45Å; Q636-L653 HydrophobicContact CG-CD2 4.3Å; Q636-L653 HydrophobicContact CG-CG 4.4Å; Q636-L653 PolarHBondContact NE2-O 3.48Å; Y639-L653 HydrophobicContact CD2-CD1 3.83Å; Y639-L653 HydrophobicContact CE2-CD1 4.11Å; Y639-L653 HydrophobicContact CG-CD1 4.44Å; H649-L653 WeakPolarHBondContact O-CB 3.47Å; H649-L653 WeakPolarHBondContact O-CD1 3.43Å; H649-L653 WeakPolarHBondContact O-CG 3.38Å; H649-L653 PolarHBondContact O-N 3.47Å; N650-L653 PolarHBondContact O-N 3.27Å; H651-L653 VanDerWaalsContact C-N 3.32Å; H651-L653 PolarHBondContact O-N 3.41Å; L653-K656 PolarHBondContact O-N 2.86Å; L653-V657 WeakPolarHBondContact O-CG2 3.49Å; L653-V657 PolarHBondContact O-N 3.47Å
654S68.5Low65.5Low63 Ų6377 Ų7744%0.44139%0.388SS..Hα-helixtrans-61.9-43.5175.9-170.60000111.4Q636 N650 H651 K656 V657 Q658Q636-S654 VanDerWaalsContact NE2-CA 3.31Å; N650-S654 VanDerWaalsContact O-CB 3.29Å; N650-S654 WeakPolarHBondContact O-CB 3.27Å; N650-S654 PolarHBondContact O-N 3.08Å; H651-S654 WeakPolarHBondContact O-CB 3.28Å; H651-S654 PolarHBondContact O-N 3.42Å; H651-S654 VanDerWaalsContact O-N 3.11Å; S654-K656 PolarHBondContact O-N 2.55Å; S654-V657 PolarHBondContact O-N 2.73Å; S654-Q658 PolarHBondContact O-N 3.41Å
655D73.7Confident67.4Low106 Ų10670.4 Ų70.457%0.56735%0.353SS*.Hα-helixtrans-62.3-42.2176.6-68.2-20.2000111.4H651 Q658 E659H651-D655 VanDerWaalsContact O-CG 3.23Å; H651-D655 PolarHBondContact O-N 2.76Å; D655-Q658 PolarHBondContact O-N 3.15Å; D655-E659 WeakPolarHBondContact O-CB 3.45Å; D655-E659 PolarHBondContact O-N 3.05Å
656K76.2Confident69.4Low116 Ų11668.3 Ų68.350%0.50435%0.347SS..Hα-helixtrans-63-41.2175.1-76.5175.7-179179.20112.6Q652 L653 S654 M660Q652-K656 WeakPolarHBondContact O-CG 3.27Å; Q652-K656 PolarHBondContact O-N 2.93Å; Q652-K656 VanDerWaalsContact O-N 3.13Å; L653-K656 PolarHBondContact O-N 2.86Å; S654-K656 PolarHBondContact O-N 2.55Å; K656-M660 WeakPolarHBondContact O-CB 3.28Å; K656-M660 PolarHBondContact O-N 3.03Å
657V77Confident71.3Confident14 Ų1464 Ų649%0.08532%0.323CS..Hα-helixtrans-65.3-45.2176.3171.80000110F629 L632 L653 S654 M660 V661F629-V657 HydrophobicContact CD2-CG1 4.19Å; F629-V657 HydrophobicContact CE2-CG1 3.88Å; L632-V657 HydrophobicContact CB-CG2 4.05Å; L632-V657 HydrophobicContact CD1-CG2 4.46Å; L653-V657 WeakPolarHBondContact O-CG2 3.49Å; L653-V657 PolarHBondContact O-N 3.47Å; S654-V657 PolarHBondContact O-N 2.73Å; V657-M660 PolarHBondContact O-N 2.98Å; V657-V661 HydrophobicContact CG1-CG2 4.43Å; V657-V661 VanDerWaalsContact O-CG2 3.3Å; V657-V661 WeakPolarHBondContact O-CG2 3.43Å; V657-V661 PolarHBondContact O-N 3.19Å
658Q77.3Confident72.7Confident60 Ų6059.6 Ų59.628%0.2830%0.3SS..Hα-helixtrans-65.4-41.6178.4-168.962.939.400112.4S654 D655 M660 V661 N662S654-Q658 PolarHBondContact O-N 3.41Å; D655-Q658 PolarHBondContact O-N 3.15Å; Q658-M660 VanDerWaalsContact C-N 3.28Å; Q658-M660 PolarHBondContact O-N 3.01Å; Q658-V661 PolarHBondContact O-N 3.46Å; Q658-N662 PolarHBondContact NE2-OD1 2.94Å; Q658-N662 WeakPolarHBondContact O-CB 3.5Å; Q658-N662 PolarHBondContact O-N 3.29Å; Q658-N662 PolarHBondContact O-OD1 3.3Å
659E80.9Confident74Confident102 Ų10256.8 Ų56.848%0.47728%0.282SS..Hα-helixtrans-60-40.6175-168.3-166.3159.200111D655 N662 K663D655-E659 WeakPolarHBondContact O-CB 3.45Å; D655-E659 PolarHBondContact O-N 3.05Å; E659-N662 PolarHBondContact O-N 3.13Å; E659-K663 WeakPolarHBondContact O-CG 3.47Å; E659-K663 PolarHBondContact O-N 3.3Å; E659-K663 WeakPolarHBondContact OE1-CE 3.26Å; E659-K663 IonicContact OE1-NZ 3.84Å; E659-K663 PolarHBondContact OE1-NZ 3.5Å
660M79.9Confident75.7Confident9 Ų955.3 Ų55.34%0.04428%0.277CS..Hα-helixtrans-67.8-42.6175.9-176.4-139.1-69.500112.3Y625 Q628 F629 L632 K656 V657 Q658 N662 K663 F664Y625-M660 HydrophobicContact CD1-CG 4.15Å; Y625-M660 VanDerWaalsContact O-SD 3.34Å; Q628-M660 HydrophobicContact CB-CE 3.63Å; Q628-M660 HydrophobicContact CB-SD 4.33Å; Q628-M660 WeakPolarHBondContact O-CE 3.11Å; F629-M660 VanDerWaalsContact CA-CE 3.49Å; F629-M660 WeakPolarHBondContact CA-SD 3.29Å; F629-M660 HydrophobicContact CB-CE 4.27Å; F629-M660 HydrophobicContact CB-SD 3.48Å; F629-M660 WeakPolarHBondContact CB-SD 3.29Å; F629-M660 HydrophobicContact CD2-SD 4.22Å; F629-M660 HydrophobicContact CG-SD 4.36Å; F629-M660 VanDerWaalsContact N-CE 3.28Å; F629-M660 PolarHBondContact N-SD 3.21Å; F629-M660 VanDerWaalsContact N-SD 3.36Å; L632-M660 HydrophobicContact CB-CE 4.33Å; L632-M660 HydrophobicContact CD1-CE 3.32Å; L632-M660 HydrophobicContact CG-CE 3.94Å; K656-M660 WeakPolarHBondContact O-CB 3.28Å; K656-M660 PolarHBondContact O-N 3.03Å; V657-M660 PolarHBondContact O-N 2.98Å; Q658-M660 VanDerWaalsContact C-N 3.28Å; Q658-M660 PolarHBondContact O-N 3.01Å; M660-N662 VanDerWaalsContact C-N 3.27Å; M660-N662 PolarHBondContact O-N 2.95Å; M660-K663 CarbonylContact O-C 3.59Å; M660-K663 WeakPolarHBondContact O-CB 3.42Å; M660-K663 PolarHBondContact O-N 2.6Å; M660-K663 VanDerWaalsContact O-N 3.14Å; M660-F664 PolarHBondContact O-N 2.97Å
661V81.8Confident77.2Confident4 Ų453.6 Ų53.62%0.02427%0.268CS..Hα-helixtrans-59.5-41.8175.51710000110.4V553 F629 V657 Q658 K663 F664 Y665V553-V661 HydrophobicContact CG1-CG1 4.24Å; V553-V661 HydrophobicContact CG1-CG2 3.7Å; V553-V661 HydrophobicContact CG2-CG1 4.07Å; V553-V661 HydrophobicContact CG2-CG2 4.25Å; F629-V661 HydrophobicContact CD2-CG2 4.13Å; F629-V661 HydrophobicContact CE2-CG2 4.06Å; V657-V661 HydrophobicContact CG1-CG2 4.43Å; V657-V661 VanDerWaalsContact O-CG2 3.3Å; V657-V661 WeakPolarHBondContact O-CG2 3.43Å; V657-V661 PolarHBondContact O-N 3.19Å; Q658-V661 PolarHBondContact O-N 3.46Å; V661-K663 PolarHBondContact O-N 2.7Å; V661-F664 WeakPolarHBondContact O-CB 3.34Å; V661-F664 PolarHBondContact O-N 2.73Å; V661-Y665 HydrophobicContact CG1-CD2 3.67Å; V661-Y665 HydrophobicContact CG1-CE2 3.33Å; V661-Y665 VanDerWaalsContact O-CD2 3.23Å; V661-Y665 WeakPolarHBondContact O-CD2 3.46Å; V661-Y665 PolarHBondContact O-N 3.48Å
662N82.4Confident78.4Confident56 Ų5649.5 Ų49.530%0.29925%0.248SC..Hα-helixtrans-63.7-41.4174.5-67.5-9000112.1Q658 E659 M660 F664 Y665 T666Q658-N662 PolarHBondContact NE2-OD1 2.94Å; Q658-N662 WeakPolarHBondContact O-CB 3.5Å; Q658-N662 PolarHBondContact O-N 3.29Å; Q658-N662 PolarHBondContact O-OD1 3.3Å; E659-N662 PolarHBondContact O-N 3.13Å; M660-N662 VanDerWaalsContact C-N 3.27Å; M660-N662 PolarHBondContact O-N 2.95Å; N662-F664 VanDerWaalsContact C-N 3.34Å; N662-Y665 PolarHBondContact O-N 3.23Å; N662-T666 WeakPolarHBondContact O-CB 3.3Å; N662-T666 PolarHBondContact O-N 3.15Å; N662-T666 PolarHBondContact O-OG1 2.7Å
663K85.2Confident79.5Confident90 Ų9047.6 Ų47.639%0.39124%0.241SC..Hα-helixtrans-61.9-41.9173.3-74.6171.2-1761670111.5Y625 E659 M660 V661 T666 Q667Y625-K663 HydrophobicContact CE1-CB 4.22Å; Y625-K663 HydrophobicContact CE1-CD 4.39Å; E659-K663 WeakPolarHBondContact O-CG 3.47Å; E659-K663 PolarHBondContact O-N 3.3Å; E659-K663 WeakPolarHBondContact OE1-CE 3.26Å; E659-K663 IonicContact OE1-NZ 3.84Å; E659-K663 PolarHBondContact OE1-NZ 3.5Å; M660-K663 CarbonylContact O-C 3.59Å; M660-K663 WeakPolarHBondContact O-CB 3.42Å; M660-K663 PolarHBondContact O-N 2.6Å; M660-K663 VanDerWaalsContact O-N 3.14Å; V661-K663 PolarHBondContact O-N 2.7Å; K663-T666 PolarHBondContact O-N 3.32Å; K663-Q667 WeakPolarHBondContact O-CB 3.49Å; K663-Q667 PolarHBondContact O-N 3.04Å
664F85.9Confident80.6Confident2 Ų248.3 Ų48.31%0.00925%0.245CC..Hα-helixtrans-60.6-49.7176.4171.5-94.7000111.5M557 I560 L622 C626 M660 V661 N662 T666 Q667 A668M557-F664 HydrophobicContact CB-CE2 4.49Å; M557-F664 HydrophobicContact CB-CZ 4.09Å; M557-F664 HydrophobicContact CE-CB 4.23Å; M557-F664 HydrophobicContact CE-CD1 4.09Å; M557-F664 HydrophobicContact CE-CD2 4.15Å; M557-F664 HydrophobicContact CE-CG 3.88Å; M557-F664 HydrophobicContact CG-CD1 4.19Å; M557-F664 HydrophobicContact CG-CD2 4.29Å; M557-F664 HydrophobicContact CG-CE1 3.72Å; M557-F664 HydrophobicContact CG-CE2 3.84Å; M557-F664 HydrophobicContact CG-CG 4.46Å; M557-F664 HydrophobicContact CG-CZ 3.53Å; I560-F664 HydrophobicContact CD1-CE1 4.05Å; I560-F664 HydrophobicContact CD1-CE2 4.29Å; I560-F664 HydrophobicContact CD1-CZ 3.45Å; I560-F664 VanDerWaalsContact CD1-CZ 3.45Å; I560-F664 HydrophobicContact CG1-CZ 4.47Å; L622-F664 HydrophobicContact CD2-CD2 3.64Å; L622-F664 HydrophobicContact CD2-CE2 3.67Å; L622-F664 HydrophobicContact CD2-CG 4.46Å; L622-F664 HydrophobicContact CD2-CZ 4.5Å; C626-F664 VanDerWaalsContact SG-CE2 3.54Å; M660-F664 PolarHBondContact O-N 2.97Å; V661-F664 WeakPolarHBondContact O-CB 3.34Å; V661-F664 PolarHBondContact O-N 2.73Å; N662-F664 VanDerWaalsContact C-N 3.34Å; F664-T666 PolarHBondContact O-N 3.19Å; F664-Q667 PolarHBondContact O-N 3.04Å; F664-A668 WeakPolarHBondContact O-CB 3.49Å; F664-A668 PolarHBondContact O-N 3.32Å
665Y83.9Confident81.1Confident13 Ų1345.4 Ų45.45%0.05123%0.225CC..Hα-helixtrans-65.2-39.6178.7-73.1-55.7000112.8H556 V661 N662 Q667 A668 K669 L744H556-Y665 HydrophobicContact CB-CE1 4.26Å; H556-Y665 PolarHBondContact CD2-OH 3.37Å; H556-Y665 VanDerWaalsContact CD2-OH 3.22Å; V661-Y665 HydrophobicContact CG1-CD2 3.67Å; V661-Y665 HydrophobicContact CG1-CE2 3.33Å; V661-Y665 VanDerWaalsContact O-CD2 3.23Å; V661-Y665 WeakPolarHBondContact O-CD2 3.46Å; V661-Y665 PolarHBondContact O-N 3.48Å; N662-Y665 PolarHBondContact O-N 3.23Å; Y665-Q667 VanDerWaalsContact C-N 3.28Å; Y665-Q667 PolarHBondContact O-N 2.9Å; Y665-A668 PolarHBondContact O-N 3.43Å; Y665-K669 WeakPolarHBondContact O-CB 3.42Å; Y665-K669 PolarHBondContact O-N 2.89Å; Y665-L744 HydrophobicContact CD1-CD2 3.27Å; Y665-L744 HydrophobicContact CE1-CD2 3.46Å; Y665-L744 VanDerWaalsContact CE1-CD2 3.46Å; Y665-L744 HydrophobicContact CG-CD2 3.95Å
666T83.8Confident81.3Confident82 Ų8243.4 Ų43.450%0.50321%0.214SC..Hα-helixtrans-60.1-43.1174.5-55.30000110.8N662 K663 F664 L670N662-T666 WeakPolarHBondContact O-CB 3.3Å; N662-T666 PolarHBondContact O-N 3.15Å; N662-T666 PolarHBondContact O-OG1 2.7Å; K663-T666 PolarHBondContact O-N 3.32Å; F664-T666 PolarHBondContact O-N 3.19Å; T666-L670 PolarHBondContact O-N 2.85Å
667Q83.6Confident81.4Confident21 Ų2142.6 Ų42.610%0.09821%0.214CC..Hα-helixtrans-71.4-35.8178.9-168.970.4-4.300112.7C618 Q621 L622 Y625 K663 F664 Y665 K669 L670 L671C618-Q667 PolarHBondContact SG-NE2 3.46Å; C618-Q667 PolarHBondContact SG-O 2.83Å; Q621-Q667 HydrophobicContact CB-CG 4.47Å; L622-Q667 HydrophobicContact CD2-CB 3.75Å; L622-Q667 HydrophobicContact CD2-CG 3.72Å; L622-Q667 HydrophobicContact CG-CB 4.36Å; L622-Q667 HydrophobicContact CG-CG 3.77Å; Y625-Q667 HydrophobicContact CE2-CB 4.27Å; Y625-Q667 HydrophobicContact CE2-CG 4.28Å; K663-Q667 WeakPolarHBondContact O-CB 3.49Å; K663-Q667 PolarHBondContact O-N 3.04Å; F664-Q667 PolarHBondContact O-N 3.04Å; Y665-Q667 VanDerWaalsContact C-N 3.28Å; Y665-Q667 PolarHBondContact O-N 2.9Å; Q667-K669 VanDerWaalsContact C-N 3.34Å; Q667-L670 WeakPolarHBondContact O-CB 3.46Å; Q667-L670 PolarHBondContact O-N 2.94Å; Q667-L671 PolarHBondContact O-N 3.4Å
668A81.6Confident81.2Confident3 Ų342.5 Ų42.53%0.02521%0.214CC..Hα-helixtrans-66.9-39.9176.900000110.7I560 L622 F664 Y665 L671 Y672 Y737I560-A668 HydrophobicContact CD1-CB 3.67Å; L622-A668 HydrophobicContact CD2-CB 4.12Å; F664-A668 WeakPolarHBondContact O-CB 3.49Å; F664-A668 PolarHBondContact O-N 3.32Å; Y665-A668 PolarHBondContact O-N 3.43Å; A668-L671 WeakPolarHBondContact O-CB 3.49Å; A668-L671 PolarHBondContact O-N 2.91Å; A668-Y672 PolarHBondContact O-N 3.05Å; A668-Y737 HydrophobicContact CB-CE1 3.75Å
669K80.6Confident80.8Confident66 Ų6641.2 Ų41.229%0.28721%0.212SC..Hα-helixtrans-63.5-44171.2-174.2167.8-175.1161.40111.9Y665 Q667 L671 Y672 D673 L741Y665-K669 WeakPolarHBondContact O-CB 3.42Å; Y665-K669 PolarHBondContact O-N 2.89Å; Q667-K669 VanDerWaalsContact C-N 3.34Å; K669-L671 VanDerWaalsContact C-N 3.3Å; K669-L671 PolarHBondContact O-N 3.29Å; K669-Y672 WeakPolarHBondContact O-CB 3.19Å; K669-Y672 PolarHBondContact O-N 2.92Å; K669-Y672 VanDerWaalsContact O-N 3.15Å; K669-D673 PolarHBondContact O-N 3.13Å; K669-L741 HydrophobicContact CD-CD1 4.3Å
670L83.9Confident80.1Confident77 Ų7740.9 Ų40.940%0.40322%0.22SC..Hα-helixtrans-58.3-42.6173.9-176.770.6000111.5T666 Q667 Y672 D673 L674T666-L670 PolarHBondContact O-N 2.85Å; Q667-L670 WeakPolarHBondContact O-CB 3.46Å; Q667-L670 PolarHBondContact O-N 2.94Å; L670-Y672 PolarHBondContact O-N 3.39Å; L670-D673 PolarHBondContact O-N 3.28Å; L670-L674 HydrophobicContact CD1-CD1 4.44Å; L670-L674 HydrophobicContact CD1-CG 4.35Å; L670-L674 HydrophobicContact CD2-CD1 4.46Å; L670-L674 HydrophobicContact CG-CD1 3.97Å; L670-L674 HydrophobicContact CG-CG 4.28Å; L670-L674 VanDerWaalsContact O-CB 3.3Å; L670-L674 WeakPolarHBondContact O-CB 3.42Å; L670-L674 WeakPolarHBondContact O-CG 3.47Å; L670-L674 PolarHBondContact O-N 3.39Å
671L83.4Confident79.3Confident3 Ų345.1 Ų45.12%0.01625%0.247CC..Hα-helixtrans-59.3-47.2175.3179.864000111.1I615 C618 I619 L622 Q667 A668 K669 L674 L675I615-L671 HydrophobicContact CG2-CD1 3.84Å; C618-L671 HydrophobicContact CB-CD1 4.38Å; I619-L671 HydrophobicContact CD1-CD1 4.41Å; I619-L671 HydrophobicContact CG1-CD1 3.85Å; I619-L671 HydrophobicContact CG1-CD2 4.19Å; L622-L671 HydrophobicContact CD1-CB 4.08Å; L622-L671 HydrophobicContact CD1-CD2 3.56Å; L622-L671 HydrophobicContact CD1-CG 4.39Å; Q667-L671 PolarHBondContact O-N 3.4Å; A668-L671 WeakPolarHBondContact O-CB 3.49Å; A668-L671 PolarHBondContact O-N 2.91Å; K669-L671 VanDerWaalsContact C-N 3.3Å; K669-L671 PolarHBondContact O-N 3.29Å; L671-L674 PolarHBondContact O-N 3.12Å; L671-L675 HydrophobicContact CD1-CD1 4.13Å; L671-L675 HydrophobicContact CD1-CG 4.26Å; L671-L675 HydrophobicContact CG-CD1 3.92Å; L671-L675 HydrophobicContact CG-CG 4.45Å; L671-L675 WeakPolarHBondContact O-CB 3.37Å; L671-L675 VanDerWaalsContact O-CG 3.24Å; L671-L675 WeakPolarHBondContact O-CG 3.49Å; L671-L675 PolarHBondContact O-N 3.42Å
672Y80.8Confident77.9Confident23 Ų2347.3 Ų47.39%0.0927%0.271CS..Hα-helixtrans-60-47.9177.7177.6-94.7000111.8A668 K669 L670 L674 L675 N676 L728 D732 Y737A668-Y672 PolarHBondContact O-N 3.05Å; K669-Y672 WeakPolarHBondContact O-CB 3.19Å; K669-Y672 PolarHBondContact O-N 2.92Å; K669-Y672 VanDerWaalsContact O-N 3.15Å; L670-Y672 PolarHBondContact O-N 3.39Å; Y672-L674 PolarHBondContact O-N 3.12Å; Y672-L675 PolarHBondContact O-N 3.38Å; Y672-N676 WeakPolarHBondContact O-CB 3.43Å; Y672-N676 PolarHBondContact O-N 3.43Å; Y672-L728 HydrophobicContact CD2-CG 4.43Å; Y672-L728 HydrophobicContact CE2-CD1 4.26Å; Y672-L728 HydrophobicContact CE2-CD2 4.16Å; Y672-L728 HydrophobicContact CE2-CG 3.84Å; Y672-D732 HydrophobicContact CE2-CB 3.78Å; Y672-D732 PolarHBondContact OH-OD2 3.41Å; Y672-Y737 HydrophobicContact CD2-CD2 4.2Å; Y672-Y737 HydrophobicContact CD2-CG 4.32Å; Y672-Y737 HydrophobicContact CG-CD2 4.48Å; Y672-Y737 HydrophobicContact CG-CG 4.19Å
673D81.4Confident76.2Confident65 Ų6547.2 Ų47.235%0.34828%0.278SS..Hα-helixtrans-62.2-43.8178.4-68.8-23.4000111.3K669 L670 L675 N676 I677K669-D673 PolarHBondContact O-N 3.13Å; L670-D673 PolarHBondContact O-N 3.28Å; D673-L675 PolarHBondContact O-N 3.39Å; D673-N676 PolarHBondContact O-N 3.18Å; D673-I677 WeakPolarHBondContact O-CB 2.95Å; D673-I677 WeakPolarHBondContact O-CD1 3.23Å; D673-I677 WeakPolarHBondContact O-CG1 3.39Å; D673-I677 PolarHBondContact O-N 3.47Å
674L81.4Confident74.5Confident39 Ų3950.7 Ų50.720%0.20429%0.293CS..Hα-helixtrans-63.3-41.3176.2-73.2174.8000112.1D614 I615 C618 L670 L671 Y672 N676 S678D614-L674 HydrophobicContact CB-CD1 4.42Å; I615-L674 HydrophobicContact CG1-CB 4.14Å; C618-L674 HydrophobicContact CB-CD1 4.44Å; L670-L674 HydrophobicContact CD1-CD1 4.44Å; L670-L674 HydrophobicContact CD1-CG 4.35Å; L670-L674 HydrophobicContact CD2-CD1 4.46Å; L670-L674 HydrophobicContact CG-CD1 3.97Å; L670-L674 HydrophobicContact CG-CG 4.28Å; L670-L674 VanDerWaalsContact O-CB 3.3Å; L670-L674 WeakPolarHBondContact O-CB 3.42Å; L670-L674 WeakPolarHBondContact O-CG 3.47Å; L670-L674 PolarHBondContact O-N 3.39Å; L671-L674 PolarHBondContact O-N 3.12Å; Y672-L674 PolarHBondContact O-N 3.12Å; L674-N676 VanDerWaalsContact C-N 3.35Å; L674-S678 VanDerWaalsContact O-CB 3.25Å; L674-S678 WeakPolarHBondContact O-CB 3.23Å; L674-S678 PolarHBondContact O-N 3.5Å; L674-S678 PolarHBondContact O-OG 3.02Å
675L78.7Confident72.7Confident3 Ų352.5 Ų52.52%0.01631%0.305CS..Hα-helixtrans-64.7-40.6175-73.9169.7000111L609 I615 L671 Y672 D673 S678 C679 L727 L728 L731L609-L675 HydrophobicContact CD1-CD2 4.33Å; L609-L675 HydrophobicContact CD2-CD2 4.46Å; I615-L675 HydrophobicContact CD1-CD2 4.08Å; I615-L675 HydrophobicContact CG2-CD2 4.42Å; L671-L675 HydrophobicContact CD1-CD1 4.13Å; L671-L675 HydrophobicContact CD1-CG 4.26Å; L671-L675 HydrophobicContact CG-CD1 3.92Å; L671-L675 HydrophobicContact CG-CG 4.45Å; L671-L675 WeakPolarHBondContact O-CB 3.37Å; L671-L675 VanDerWaalsContact O-CG 3.24Å; L671-L675 WeakPolarHBondContact O-CG 3.49Å; L671-L675 PolarHBondContact O-N 3.42Å; Y672-L675 PolarHBondContact O-N 3.38Å; D673-L675 PolarHBondContact O-N 3.39Å; L675-S678 PolarHBondContact O-N 3.46Å; L675-C679 PolarHBondContact O-N 3.27Å; L675-C679 PolarHBondContact O-SG 3.16Å; L675-L727 HydrophobicContact CD1-CD2 4.03Å; L675-L727 HydrophobicContact CD2-CD2 4.32Å; L675-L728 HydrophobicContact CB-CD1 4.25Å; L675-L731 HydrophobicContact CD1-CD1 3.59Å
676N78.1Confident70.8Confident63 Ų6355.4 Ų55.434%0.33733%0.328SS..Hα-helixtrans-67.9-42.6179.1-161.515000112.2Y672 D673 L674 S678 C679 S680 L728Y672-N676 WeakPolarHBondContact O-CB 3.43Å; Y672-N676 PolarHBondContact O-N 3.43Å; D673-N676 PolarHBondContact O-N 3.18Å; L674-N676 VanDerWaalsContact C-N 3.35Å; N676-S678 VanDerWaalsContact C-N 3.32Å; N676-S678 PolarHBondContact O-N 3Å; N676-C679 PolarHBondContact O-N 2.79Å; N676-S680 WeakPolarHBondContact O-CB 3.43Å; N676-S680 PolarHBondContact O-N 3.11Å; N676-S680 PolarHBondContact O-OG 3.37Å; N676-L728 HydrophobicContact CB-CD1 3.88Å
677I78.5Confident68.8Low99 Ų9955.3 Ų55.351%0.50833%0.327SS..Hα-helixtrans-62.3-41.9173.1-67.6163.1000110.3D673 C679 S680 T681D673-I677 WeakPolarHBondContact O-CB 2.95Å; D673-I677 WeakPolarHBondContact O-CD1 3.23Å; D673-I677 WeakPolarHBondContact O-CG1 3.39Å; D673-I677 PolarHBondContact O-N 3.47Å; I677-C679 PolarHBondContact O-N 3.39Å; I677-S680 PolarHBondContact O-N 2.94Å; I677-T681 HydrophobicContact CG2-CG2 4.08Å; I677-T681 WeakPolarHBondContact O-CB 3.43Å; I677-T681 VanDerWaalsContact O-CG2 3.27Å; I677-T681 WeakPolarHBondContact O-CG2 3.41Å; I677-T681 PolarHBondContact O-N 3.39Å; I677-T681 PolarHBondContact O-OG1 2.88Å
678S72.6Confident67Low13 Ų1355.4 Ų55.49%0.09133%0.333CS..Hα-helixtrans-64.4-38.4177.7-61.70000112.6M612 L674 L675 N676 T681M612-S678 VanDerWaalsContact CE-OG 3.22Å; M612-S678 WeakPolarHBondContact CE-OG 3.47Å; L674-S678 VanDerWaalsContact O-CB 3.25Å; L674-S678 WeakPolarHBondContact O-CB 3.23Å; L674-S678 PolarHBondContact O-N 3.5Å; L674-S678 PolarHBondContact O-OG 3.02Å; L675-S678 PolarHBondContact O-N 3.46Å; N676-S678 VanDerWaalsContact C-N 3.32Å; N676-S678 PolarHBondContact O-N 3Å; S678-T681 WeakPolarHBondContact CA-OG1 3.5Å; S678-T681 PolarHBondContact O-OG1 2.92Å
679C69.2Low65.3Low33 Ų3356 Ų5622%0.22334%0.335CS..Hα-helixtrans-65.6-42.8172.3-65.80000111.3L675 N676 I677 G682 L724L675-C679 PolarHBondContact O-N 3.27Å; L675-C679 PolarHBondContact O-SG 3.16Å; N676-C679 PolarHBondContact O-N 2.79Å; I677-C679 PolarHBondContact O-N 3.39Å; C679-G682 PolarHBondContact O-N 3.04Å; C679-L724 WeakPolarHBondContact SG-CB 3.23Å
680S65.3Low63.3Low94 Ų9457.9 Ų57.966%0.65735%0.349SS*.Hα-helixtrans-71.1-35.6-176.9-60.40000113.5N676 I677 G682N676-S680 WeakPolarHBondContact O-CB 3.43Å; N676-S680 PolarHBondContact O-N 3.11Å; N676-S680 PolarHBondContact O-OG 3.37Å; I677-S680 PolarHBondContact O-N 2.94Å; S680-G682 PolarHBondContact O-N 3.49Å; S680-G682 VanDerWaalsContact O-N 3.17Å
681T63.1Low61Low98 Ų9858.4 Ų58.460%0.60136%0.359SS*.THydrogen-bonded Turntrans-70.4-4.8177.749.40000113I677 S678 A683I677-T681 HydrophobicContact CG2-CG2 4.08Å; I677-T681 WeakPolarHBondContact O-CB 3.43Å; I677-T681 VanDerWaalsContact O-CG2 3.27Å; I677-T681 WeakPolarHBondContact O-CG2 3.41Å; I677-T681 PolarHBondContact O-N 3.39Å; I677-T681 PolarHBondContact O-OG1 2.88Å; S678-T681 WeakPolarHBondContact CA-OG1 3.5Å; S678-T681 PolarHBondContact O-OG1 2.92Å; T681-A683 PolarHBondContact O-N 2.86Å
682G52.3Low58.3Low51 Ų5161 Ų6153%0.52639%0.387SS..THydrogen-bonded Turntrans68.716.2178.200000113.2C679 S680 K684C679-G682 PolarHBondContact O-N 3.04Å; S680-G682 PolarHBondContact O-N 3.49Å; S680-G682 VanDerWaalsContact O-N 3.17Å; G682-K684 PolarHBondContact O-N 3.24Å
683A47.3Very low55.8Low54 Ų5470.1 Ų70.145%0.44642%0.422SS..  trans-6872.4169.800000109T681 S685T681-A683 PolarHBondContact O-N 2.86Å; A683-S685 PolarHBondContact O-N 3.01Å
684K48.5Very low53.1Low162 Ų16272.8 Ų72.870%0.70444%0.441SS*.  trans-59.2126.1167-65.9-177.3-179.4-176.80105.8G682 S686G682-K684 PolarHBondContact O-N 3.24Å; K684-S686 PolarHBondContact O-N 3.44Å; K684-S686 PolarHBondContact O-OG 3.39Å
685S48.1Very low50.5Low40 Ų4076.2 Ų76.228%0.2846%0.463SS..  trans-68.366.9165.5-167.90000108.3A606 Q607 A683 V687A606-S685 WeakPolarHBondContact CA-OG 3.28Å; A606-S685 WeakPolarHBondContact CB-OG 3.36Å; A606-S685 PolarHBondContact O-OG 3.19Å; Q607-S685 PolarHBondContact N-OG 3.38Å; Q607-S685 VanDerWaalsContact N-OG 3.15Å; A683-S685 PolarHBondContact O-N 3.01Å; S685-V687 VanDerWaalsContact C-N 3.33Å
686S44.6Very low48Very low75 Ų7581 Ų8152%0.52449%0.493SS..  trans-9410.3-168.858.70000112.8K684 G688K684-S686 PolarHBondContact O-N 3.44Å; K684-S686 PolarHBondContact O-OG 3.39Å; S686-G688 VanDerWaalsContact C-N 3.26Å; S686-G688 PolarHBondContact O-N 3.5Å
687V42.9Very low45.5Very low80 Ų8085.1 Ų85.149%0.48552%0.515SS..SBendtrans-77.386.1165.6-173.50000105.4A602 G603 A606 S685A602-V687 HydrophobicContact CB-CG1 3.66Å; G603-V687 WeakPolarHBondContact CA-O 3.45Å; G603-V687 PolarHBondContact N-O 3.4Å; A606-V687 HydrophobicContact CB-CB 4.22Å; S685-V687 VanDerWaalsContact C-N 3.33Å
688G45.8Very low42.8Very low22 Ų2287.9 Ų87.923%0.22753%0.525CS..SBendtrans174.3169.5-175.400000111.5S686 N690S686-G688 VanDerWaalsContact C-N 3.26Å; S686-G688 PolarHBondContact O-N 3.5Å; G688-N690 PolarHBondContact O-N 3.2Å
689F44.6Very low40.6Very low15 Ų1596.5 Ų96.57%0.06656%0.564CS.*  trans-59103.2-175.7-58-63.7000111.3H579 A596 A599 S691H579-F689 HydrophobicContact CB-CD2 3.78Å; H579-F689 HydrophobicContact CB-CE2 4.21Å; H579-F689 AromaticContact CE1-CG 3.98Å; H579-F689 AromaticContact CG-CD2 3.6Å; H579-F689 AromaticContact CG-CG 3.89Å; H579-F689 AromaticContact ND1-CD2 3.82Å; H579-F689 AromaticContact ND1-CG 3.81Å; A596-F689 HydrophobicContact CB-CE1 4.35Å; A596-F689 HydrophobicContact CB-CZ 4.35Å; A596-F689 VanDerWaalsContact O-CZ 3.28Å; A596-F689 WeakPolarHBondContact O-CZ 3.41Å; A599-F689 HydrophobicContact CB-CE1 4.11Å; F689-S691 PolarHBondContact O-N 3.15Å
690N38.1Very low38.4Very low107 Ų107105.7 Ų105.757%0.57259%0.593SS**  trans-68.2120.7165.5-76-28.5000107.6G688 G692G688-N690 PolarHBondContact O-N 3.2Å; N690-G692 PolarHBondContact O-N 3.01Å
691S35.9Very low36.6Very low88 Ų88107.5 Ų107.562%0.61560%0.596SS**THydrogen-bonded Turntrans-63.218.5170.6-175.80000113.7F689F689-S691 PolarHBondContact O-N 3.15Å
692G26.6Very low34.8Very low58 Ų58112.8 Ų112.860%0.59861%0.611SS**THydrogen-bonded Turntrans-92.8-7.9-176.700000115.6N690 T694N690-G692 PolarHBondContact O-N 3.01Å; G692-T694 PolarHBondContact O-N 2.87Å
693Y28.1Very low33.5Very low213 Ų213119.8 Ų119.884%0.83563%0.63SS**  trans-77.576.1170-80.5-80.8000109.9V695Y693-V695 PolarHBondContact O-N 3.18Å
694T25.1Very low32.6Very low121 Ų121121.9 Ų121.974%0.74264%0.641SS**  trans-64.391.9150.242.30000106.1G692 V696G692-T694 PolarHBondContact O-N 2.87Å; T694-V696 VanDerWaalsContact C-N 3.3Å; T694-V696 PolarHBondContact O-N 3.35Å
695V27.2Very low31.5Very low112 Ų112121.7 Ų121.768%0.67965%0.647SS**  trans-59.6103.2165.61760000105.5Y693 N697Y693-V695 PolarHBondContact O-N 3.18Å; V695-N697 PolarHBondContact O-N 3.06Å
696V25.7Very low30.4Very low104 Ų104125.6 Ų125.663%0.6367%0.674SS**  trans-56.1109.5164.4173.10000105.4T694 H698T694-V696 VanDerWaalsContact C-N 3.3Å; T694-V696 PolarHBondContact O-N 3.35Å; V696-H698 PolarHBondContact O-N 3Å
697N25.2Very low29.4Very low149 Ų149128.6 Ų128.680%0.79768%0.684SS**  trans-52.496.5178-74-25.8000110.4V695V695-N697 PolarHBondContact O-N 3.06Å
698H22.8Very low28.5Very low157 Ų157131 Ų13173%0.72770%0.701SS**  trans-127.758.4166-83-9.4000109.8V696V696-H698 PolarHBondContact O-N 3Å
699H26.4Very low27.5Very low194 Ų194133.3 Ų133.390%0.89873%0.725SS**  trans-138.694.1148.8-79.3-63.7000108.1
700R23.4Very low26.6Very low226 Ų226139.9 Ų139.985%0.85376%0.759SS**  trans-67.9147.8160.4-73.9-177.7179.1162-0.2108.3
701D26Very low25.9Very low131 Ų131140 Ų14070%0.70176%0.764SS**  trans75.470.4155.1-47.8-27.6000117.9
702F25.8Very low25.4Very low209 Ų209141.8 Ų141.892%0.91777%0.771SS**  trans-146.859141.1-92-76.4000109.7S704F702-S704 VanDerWaalsContact C-N 3.3Å; F702-S704 PolarHBondContact O-N 3.47Å; F702-S704 VanDerWaalsContact O-N 3.08Å
703E26.1Very low25.3Very low199 Ų199144.3 Ų144.393%0.9378%0.775SS**  trans-76.379.3166.1-73.6-174.1164.200109.6
704S27.2Very low25.1Very low98 Ų98141.6 Ų141.669%0.68578%0.775SS**  trans-168.863.1158.946.70000111.2F702F702-S704 VanDerWaalsContact C-N 3.3Å; F702-S704 PolarHBondContact O-N 3.47Å; F702-S704 VanDerWaalsContact O-N 3.08Å
705L26.2Very low25.1Very low158 Ų158138 Ų13883%0.82776%0.762SS**  trans-168.265.4157.9-98.7158.1000107.6L707L705-L707 PolarHBondContact O-N 3.5Å
706S24.7Very low25.1Very low122 Ų122137.7 Ų137.785%0.85376%0.762SS**  trans-67.397.9172.152.70000109.5
707L24.4Very low25Very low138 Ų138141.4 Ų141.472%0.72377%0.772SS**  trans-66.6131.5160.3-99.391.1000108.9L705 G709L705-L707 PolarHBondContact O-N 3.5Å; L707-G709 PolarHBondContact O-N 3.04Å
708P23.1Very low25.4Very low131 Ų131143 Ų14385%0.85177%0.768SS**THydrogen-bonded Turntrans-75.2123.6177.228.6-27.8000109.6
709G24.3Very low25.9Very low70 Ų70140.1 Ų140.172%0.72277%0.766SS**THydrogen-bonded Turntrans146.5-9170.900000117L707 T711L707-G709 PolarHBondContact O-N 3.04Å; G709-T711 VanDerWaalsContact C-N 3.27Å; G709-T711 PolarHBondContact O-N 3.43Å
710I25.5Very low26.5Very low153 Ų153132.1 Ų132.179%0.78574%0.736SS**  trans-85.174.6175.9-50.2177.1000109T712I710-T712 HydrophobicContact CG2-CG2 4.44Å; I710-T712 PolarHBondContact O-N 3.24Å
711T23.5Very low27.5Very low110 Ų110125 Ų12568%0.67572%0.717SS**  trans-70.7113155.547.90000107G709 T713G709-T711 VanDerWaalsContact C-N 3.27Å; G709-T711 PolarHBondContact O-N 3.43Å; T711-T713 PolarHBondContact O-N 2.92Å
712T25.4Very low28.8Very low124 Ų124119.7 Ų119.776%0.76169%0.69SS**  trans-67.261.5165.3460000109.7I710 N714I710-T712 HydrophobicContact CG2-CG2 4.44Å; I710-T712 PolarHBondContact O-N 3.24Å; T712-N714 PolarHBondContact O-N 3.34Å
713T24.5Very low30.5Very low111 Ų111113.3 Ų113.368%0.68167%0.666SS**  trans-71.9114.9163.552.20000106.3T711 G715T711-T713 PolarHBondContact O-N 2.92Å; T713-G715 PolarHBondContact O-N 2.83Å
714N25.2Very low32.5Very low157 Ų157104.9 Ų104.984%0.8463%0.627SS**  trans-54.881.2168.1-68.6-27000109.5T712T712-N714 PolarHBondContact O-N 3.34Å
715G23.9Very low34.4Very low46 Ų46104.5 Ų104.547%0.47462%0.617SS.*  trans-68.4153.6167.200000109.5T713 H717T713-G715 PolarHBondContact O-N 2.83Å; G715-H717 PolarHBondContact O-N 3.24Å
716P27.7Very low36.6Very low104 Ų104101.7 Ų101.768%0.67560%0.598SS**  trans-58.5128.4-168.325.9-32.7000109.7Y718P716-Y718 VanDerWaalsContact C-N 3.32Å; P716-Y718 HydrophobicContact CG-CE2 4.17Å; P716-Y718 WeakPolarHBondContact O-CD2 3.48Å; P716-Y718 PolarHBondContact O-N 3.42Å
717H24.2Very low38.9Very low182 Ų18295.9 Ų95.984%0.84356%0.558SS**  trans-58.494.1171.5-72.3-84.8000109G715 S719G715-H717 PolarHBondContact O-N 3.24Å; H717-S719 VanDerWaalsContact C-N 3.33Å; H717-S719 PolarHBondContact O-N 3.14Å
718Y32.9Very low41.1Very low183 Ų18390.6 Ų90.672%0.71853%0.53SS*.  trans-65.899161.7-72.1-83.8000106.5P716 G720P716-Y718 VanDerWaalsContact C-N 3.32Å; P716-Y718 HydrophobicContact CG-CE2 4.17Å; P716-Y718 WeakPolarHBondContact O-CD2 3.48Å; P716-Y718 PolarHBondContact O-N 3.42Å; Y718-G720 PolarHBondContact O-N 3.46Å
719S34Very low43.4Very low97 Ų9788.6 Ų88.668%0.67852%0.519SS*.  trans-54.8109.2165.554.40000107.2H717 T721H717-S719 VanDerWaalsContact C-N 3.33Å; H717-S719 PolarHBondContact O-N 3.14Å; S719-T721 PolarHBondContact O-N 3.5Å
720G38.7Very low45.6Very low26 Ų2689 Ų8927%0.26850%0.499SS..SBendtrans-6715.6-165.600000116.9Y718Y718-G720 PolarHBondContact O-N 3.46Å
721T44.4Very low47.7Very low75 Ų7581.9 Ų81.946%0.4646%0.462SS..  trans-105.7108.2170.9580000108.8S719 D723S719-T721 PolarHBondContact O-N 3.5Å; T721-D723 PolarHBondContact O-N 3.47Å; T721-D723 PolarHBondContact OG1-OD1 3.05Å
722T52.9Low49.7Very low21 Ų2178 Ų7813%0.12944%0.437CS..  trans-67.791.1163.748.10000107.6D571 Q607 L724D571-T722 HydrophobicContact CB-CG2 4.38Å; D571-T722 WeakPolarHBondContact O-CG2 3.42Å; Q607-T722 VanDerWaalsContact CD-OG1 3.28Å; Q607-T722 PolarHBondContact OE1-OG1 2.93Å; T722-L724 PolarHBondContact O-N 3.37Å
723D62.3Low51.3Low75 Ų7578 Ų7840%0.40143%0.427SS..  trans-68.8123.4175.2-71.3-10.8000108.3T721 N725 K726T721-D723 PolarHBondContact O-N 3.47Å; T721-D723 PolarHBondContact OG1-OD1 3.05Å; D723-N725 HydrophobicContact CB-CB 4.01Å; D723-N725 PolarHBondContact O-N 3.06Å; D723-K726 PolarHBondContact O-N 3.49Å
724L66.8Low52.9Low21 Ų2178.6 Ų78.611%0.1143%0.426CS..THydrogen-bonded Turntrans-50-21.4170.8-72.5168.4000112.3Y567 L609 C679 T722 K726 L727 L728Y567-L724 WeakPolarHBondContact OH-CD2 3.3Å; L609-L724 HydrophobicContact CD2-CD2 3.88Å; C679-L724 WeakPolarHBondContact SG-CB 3.23Å; T722-L724 PolarHBondContact O-N 3.37Å; L724-K726 PolarHBondContact O-N 3.49Å; L724-L727 WeakPolarHBondContact O-CB 3.41Å; L724-L727 PolarHBondContact O-N 2.87Å; L724-L728 PolarHBondContact O-N 3.44Å
725N67.8Low54.5Low91 Ų9178.8 Ų78.849%0.48742%0.416SS..Hα-helixtrans-49.5-35169.5-64-22.9000113.5D723 L728 S729D723-N725 HydrophobicContact CB-CB 4.01Å; D723-N725 PolarHBondContact O-N 3.06Å; N725-L728 PolarHBondContact O-N 3.04Å; N725-S729 VanDerWaalsContact O-CB 3.23Å; N725-S729 WeakPolarHBondContact O-CB 3.48Å; N725-S729 PolarHBondContact O-N 3.5Å
726K72.5Confident56Low99 Ų9979 Ų7943%0.4340%0.404SS..Hα-helixtrans-67.3-41.7176.3-71.8-179.6172.5-178.60112.3D571 D723 L724 R730D571-K726 WeakPolarHBondContact OD1-CD 3.41Å; D571-K726 IonicContact OD1-NZ 2.64Å; D571-K726 PolarHBondContact OD1-NZ 3.1Å; D723-K726 PolarHBondContact O-N 3.49Å; L724-K726 PolarHBondContact O-N 3.49Å; K726-R730 WeakPolarHBondContact O-CG 2.95Å; K726-R730 PolarHBondContact O-N 2.82Å
727L73.1Confident57.5Low0 Ų074.6 Ų74.60%037%0.374CS..Hα-helixtrans-67.1-44.4175.2176.563.1000109.9L564 Y567 L675 L724 S729 R730 L731L564-L727 HydrophobicContact CD2-CD1 4.18Å; L564-L727 HydrophobicContact CD2-CD2 4.18Å; Y567-L727 HydrophobicContact CD1-CD1 4.5Å; Y567-L727 HydrophobicContact CD1-CD2 4.02Å; Y567-L727 HydrophobicContact CD2-CB 3.83Å; Y567-L727 HydrophobicContact CE1-CD2 4.26Å; Y567-L727 HydrophobicContact CE2-CB 4.2Å; Y567-L727 HydrophobicContact CG-CB 4.03Å; Y567-L727 HydrophobicContact CG-CD1 4.12Å; Y567-L727 HydrophobicContact CG-CD2 4.25Å; Y567-L727 HydrophobicContact CG-CG 4.36Å; L675-L727 HydrophobicContact CD1-CD2 4.03Å; L675-L727 HydrophobicContact CD2-CD2 4.32Å; L724-L727 WeakPolarHBondContact O-CB 3.41Å; L724-L727 PolarHBondContact O-N 2.87Å; L727-S729 PolarHBondContact O-N 3.24Å; L727-R730 PolarHBondContact O-N 3.49Å; L727-R730 VanDerWaalsContact O-N 3.12Å; L727-L731 HydrophobicContact CD1-CD1 4.11Å; L727-L731 HydrophobicContact CD1-CG 4.09Å; L727-L731 HydrophobicContact CG-CD1 3.93Å; L727-L731 HydrophobicContact CG-CG 4.32Å; L727-L731 WeakPolarHBondContact O-CG 3.48Å; L727-L731 PolarHBondContact O-N 2.94Å
728L69.9Low59.1Low26 Ų2668.9 Ų68.914%0.13635%0.354CS..Hα-helixtrans-61.8-44.9179.6-163.3126.7000111.9Y672 L675 N676 L724 N725 R730 L731 D732Y672-L728 HydrophobicContact CD2-CG 4.43Å; Y672-L728 HydrophobicContact CE2-CD1 4.26Å; Y672-L728 HydrophobicContact CE2-CD2 4.16Å; Y672-L728 HydrophobicContact CE2-CG 3.84Å; L675-L728 HydrophobicContact CB-CD1 4.25Å; N676-L728 HydrophobicContact CB-CD1 3.88Å; L724-L728 PolarHBondContact O-N 3.44Å; N725-L728 PolarHBondContact O-N 3.04Å; L728-R730 PolarHBondContact O-N 3.4Å; L728-L731 PolarHBondContact O-N 3.46Å; L728-D732 WeakPolarHBondContact O-CB 3.45Å; L728-D732 PolarHBondContact O-N 3.43Å
729S71Confident60.1Low89 Ų8964.3 Ų64.362%0.62234%0.342SS*.Hα-helixtrans-64-26.5175.1179.80000113.5N725 L727N725-S729 VanDerWaalsContact O-CB 3.23Å; N725-S729 WeakPolarHBondContact O-CB 3.48Å; N725-S729 PolarHBondContact O-N 3.5Å; L727-S729 PolarHBondContact O-N 3.24Å
730R71.5Confident60.9Low79 Ų7962.3 Ų62.330%0.29833%0.329SS..Hα-helixtrans-80-44.8174.3-78.8-174.9173.4113.12.4111.6F559 D571 K726 L727 L728 D732 F733F559-R730 WeakPolarHBondContact CZ-O 3.43Å; D571-R730 IonicContact OD2-CZ 2.75Å; D571-R730 IonicContact OD2-NH1 2.75Å; D571-R730 PolarHBondContact OD2-NH1 3.3Å; K726-R730 WeakPolarHBondContact O-CG 2.95Å; K726-R730 PolarHBondContact O-N 2.82Å; L727-R730 PolarHBondContact O-N 3.49Å; L727-R730 VanDerWaalsContact O-N 3.12Å; L728-R730 PolarHBondContact O-N 3.4Å; R730-D732 PolarHBondContact O-N 3.08Å; R730-F733 WeakPolarHBondContact O-CB 2.87Å; R730-F733 PolarHBondContact O-N 2.9Å
731L69.3Low61.5Low4 Ų463.9 Ų63.92%0.02133%0.331CS..Hα-helixtrans-61.8-37.6177.9-70.2174.4000111.1I560 L675 L727 L728 F733 Y737I560-L731 HydrophobicContact CG2-CD2 4.09Å; L675-L731 HydrophobicContact CD1-CD1 3.59Å; L727-L731 HydrophobicContact CD1-CD1 4.11Å; L727-L731 HydrophobicContact CD1-CG 4.09Å; L727-L731 HydrophobicContact CG-CD1 3.93Å; L727-L731 HydrophobicContact CG-CG 4.32Å; L727-L731 WeakPolarHBondContact O-CG 3.48Å; L727-L731 PolarHBondContact O-N 2.94Å; L728-L731 PolarHBondContact O-N 3.46Å; L731-F733 VanDerWaalsContact C-N 3.27Å; L731-F733 PolarHBondContact O-N 3.49Å; L731-Y737 HydrophobicContact CB-CD2 4.49Å; L731-Y737 HydrophobicContact CB-CE2 4.33Å; L731-Y737 VanDerWaalsContact O-CD2 3.28Å; L731-Y737 WeakPolarHBondContact O-CD2 3.19Å; L731-Y737 VanDerWaalsContact O-CE2 3.26Å; L731-Y737 WeakPolarHBondContact O-CE2 3.42Å
732D65.8Low61.7Low27 Ų2768.3 Ų68.314%0.14435%0.346CS..THydrogen-bonded Turntrans-90.829.7178.4-147.711000113.8Y672 L728 R730 N734 Y735 F736 Y737 S738Y672-D732 HydrophobicContact CE2-CB 3.78Å; Y672-D732 PolarHBondContact OH-OD2 3.41Å; L728-D732 WeakPolarHBondContact O-CB 3.45Å; L728-D732 PolarHBondContact O-N 3.43Å; R730-D732 PolarHBondContact O-N 3.08Å; D732-N734 PolarHBondContact O-N 3.11Å; D732-Y735 PolarHBondContact O-N 2.96Å; D732-Y735 VanDerWaalsContact OD1-CA 3.3Å; D732-Y735 WeakPolarHBondContact OD1-CA 2.99Å; D732-F736 PolarHBondContact OD1-N 3.25Å; D732-Y737 PolarHBondContact OD1-N 3.06Å; D732-S738 PolarHBondContact OD1-N 3.3Å
733F59.4Low61.6Low124 Ų12473.1 Ų73.154%0.54437%0.371SS..G310 helixtrans-57.6125.9174.9-173.6-101.4000109.5F559 R730 L731 Y735 F736F559-F733 HydrophobicContact CE1-CB 4.46Å; F559-F733 HydrophobicContact CE2-CB 4.45Å; F559-F733 HydrophobicContact CZ-CB 3.66Å; F559-F733 HydrophobicContact CZ-CG 4.45Å; R730-F733 WeakPolarHBondContact O-CB 2.87Å; R730-F733 PolarHBondContact O-N 2.9Å; L731-F733 VanDerWaalsContact C-N 3.27Å; L731-F733 PolarHBondContact O-N 3.49Å; F733-Y735 VanDerWaalsContact C-N 3.31Å; F733-Y735 PolarHBondContact O-N 2.91Å; F733-F736 WeakPolarHBondContact O-CB 3.01Å; F733-F736 PolarHBondContact O-N 3.43Å
734N57.8Low60.9Low125 Ų12570.5 Ų70.567%0.66836%0.357SS*.G310 helixtrans56.335-172.6-62.2-26.1000115.1D732 F736D732-N734 PolarHBondContact O-N 3.11Å; N734-F736 PolarHBondContact O-N 3.33Å; N734-F736 VanDerWaalsContact O-N 3.16Å
735Y58Low59.9Low160 Ų16075.1 Ų75.163%0.62738%0.381SS*.G310 helixtrans6419.9175.6-61.1-68.3000114.1D732 F733 Y737 S738 D739D732-Y735 PolarHBondContact O-N 2.96Å; D732-Y735 VanDerWaalsContact OD1-CA 3.3Å; D732-Y735 WeakPolarHBondContact OD1-CA 2.99Å; F733-Y735 VanDerWaalsContact C-N 3.31Å; F733-Y735 PolarHBondContact O-N 2.91Å; Y735-Y737 PolarHBondContact O-N 2.94Å; Y735-S738 WeakPolarHBondContact CA-OG 3.2Å; Y735-S738 WeakPolarHBondContact CB-OG 3.39Å; Y735-S738 VanDerWaalsContact CD1-OG 3.3Å; Y735-S738 WeakPolarHBondContact CD1-OG 3.48Å; Y735-S738 PolarHBondContact O-N 2.99Å; Y735-S738 PolarHBondContact O-OG 3.06Å; Y735-D739 PolarHBondContact O-N 3.01Å
736F56.7Low59.5Low52 Ų5274.4 Ų74.423%0.22838%0.375CS..THydrogen-bonded Turntrans-53.9-34.4-169.5-170.4-99.1000113.8H556 D732 F733 N734 L744H556-F736 AromaticContact CE1-CE2 3.38Å; H556-F736 WeakPolarHBondContact CE1-CE2 2.84Å; H556-F736 AromaticContact CE1-CZ 3.44Å; H556-F736 VanDerWaalsContact CE1-CZ 3.44Å; H556-F736 WeakPolarHBondContact CE1-CZ 3.25Å; H556-F736 AromaticContact CG-CZ 3.9Å; H556-F736 AromaticContact ND1-CE1 4Å; H556-F736 AromaticContact ND1-CE2 3.45Å; H556-F736 WeakPolarHBondContact ND1-CE2 3.38Å; H556-F736 AromaticContact ND1-CZ 3.1Å; H556-F736 WeakPolarHBondContact ND1-CZ 3.47Å; D732-F736 PolarHBondContact OD1-N 3.25Å; F733-F736 WeakPolarHBondContact O-CB 3.01Å; F733-F736 PolarHBondContact O-N 3.43Å; N734-F736 PolarHBondContact O-N 3.33Å; N734-F736 VanDerWaalsContact O-N 3.16Å; F736-L744 HydrophobicContact CE1-CD1 4.42Å; F736-L744 HydrophobicContact CE1-CD2 3.68Å; F736-L744 HydrophobicContact CE1-CG 4.08Å; F736-L744 HydrophobicContact CZ-CD2 3.68Å; F736-L744 HydrophobicContact CZ-CG 4.02Å; F736-L744 WeakPolarHBondContact O-CD1 3.47Å
737Y58.3Low58.8Low10 Ų1073.1 Ų73.14%0.03937%0.372CS..THydrogen-bonded Turntrans-100.8-23.7176.3-68.9-72.4000113.9I560 A668 Y672 L731 D732 Y735 D739 L744I560-Y737 WeakPolarHBondContact CD1-OH 3.44Å; I560-Y737 VanDerWaalsContact CG1-OH 3.23Å; I560-Y737 WeakPolarHBondContact CG1-OH 3.42Å; A668-Y737 HydrophobicContact CB-CE1 3.75Å; Y672-Y737 HydrophobicContact CD2-CD2 4.2Å; Y672-Y737 HydrophobicContact CD2-CG 4.32Å; Y672-Y737 HydrophobicContact CG-CD2 4.48Å; Y672-Y737 HydrophobicContact CG-CG 4.19Å; L731-Y737 HydrophobicContact CB-CD2 4.49Å; L731-Y737 HydrophobicContact CB-CE2 4.33Å; L731-Y737 VanDerWaalsContact O-CD2 3.28Å; L731-Y737 WeakPolarHBondContact O-CD2 3.19Å; L731-Y737 VanDerWaalsContact O-CE2 3.26Å; L731-Y737 WeakPolarHBondContact O-CE2 3.42Å; D732-Y737 PolarHBondContact OD1-N 3.06Å; Y735-Y737 PolarHBondContact O-N 2.94Å; Y737-D739 VanDerWaalsContact C-N 3.32Å; Y737-L744 HydrophobicContact CD1-CD1 4.27Å
738S58.8Low58Low62 Ų6277.1 Ų77.143%0.43439%0.393SS..THydrogen-bonded Turntrans-73.5-23.4178.665.70000113.5D732 Y735D732-S738 PolarHBondContact OD1-N 3.3Å; Y735-S738 WeakPolarHBondContact CA-OG 3.2Å; Y735-S738 WeakPolarHBondContact CB-OG 3.39Å; Y735-S738 VanDerWaalsContact CD1-OG 3.3Å; Y735-S738 WeakPolarHBondContact CD1-OG 3.48Å; Y735-S738 PolarHBondContact O-N 2.99Å; Y735-S738 PolarHBondContact O-OG 3.06Å
739D53.3Low57.3Low87 Ų8780.1 Ų80.147%0.46541%0.408SS..SBendtrans-77.2161.3171.7-80.4-17.1000112.2Y735 Y737Y735-D739 PolarHBondContact O-N 3.01Å; Y737-D739 VanDerWaalsContact C-N 3.32Å
740S50.4Low56.4Low56 Ų5679.6 Ų79.639%0.39240%0.395SS..  trans-56.3143.4-175.953.90000112E742 N743S740-E742 PolarHBondContact O-N 2.74Å; S740-N743 PolarHBondContact O-N 2.95Å; S740-N743 PolarHBondContact OG-ND2 3.06Å
741L50.7Low55.4Low59 Ų5979.6 Ų79.631%0.30940%0.401SS..Hα-helixtrans-54.6-28.6175.2-169.477.7000111.7K669 N743 L744 I745K669-L741 HydrophobicContact CD-CD1 4.3Å; L741-N743 VanDerWaalsContact C-N 3.34Å; L741-N743 PolarHBondContact O-N 3.1Å; L741-L744 WeakPolarHBondContact O-CB 3.2Å; L741-L744 PolarHBondContact O-N 3.23Å; L741-I745 HydrophobicContact CD2-CD1 4.08Å; L741-I745 HydrophobicContact CG-CD1 3.93Å; L741-I745 HydrophobicContact CG-CG1 4.37Å; L741-I745 PolarHBondContact O-N 2.97Å; L741-I745 VanDerWaalsContact O-N 3.08Å
742E50.3Low54.4Low167 Ų16785 Ų8578%0.7843%0.428SS*.Hα-helixtrans-69-23.6176.5-66.9-17816800114.3S740 L744S740-E742 PolarHBondContact O-N 2.74Å; E742-L744 VanDerWaalsContact C-N 3.31Å
743N49.3Very low53.6Low122 Ų12289.5 Ų89.565%0.65245%0.45SS*.Hα-helixtrans-84.5-13172.4-70.4-13.8000112.1S740 L741S740-N743 PolarHBondContact O-N 2.95Å; S740-N743 PolarHBondContact OG-ND2 3.06Å; L741-N743 VanDerWaalsContact C-N 3.34Å; L741-N743 PolarHBondContact O-N 3.1Å
744L47.7Very low53.1Low20 Ų2086.6 Ų86.611%0.10544%0.443CS..Hα-helixtrans-100.9-34.5-167.9-145.5162.7000111.6Y665 F736 Y737 L741 E742Y665-L744 HydrophobicContact CD1-CD2 3.27Å; Y665-L744 HydrophobicContact CE1-CD2 3.46Å; Y665-L744 VanDerWaalsContact CE1-CD2 3.46Å; Y665-L744 HydrophobicContact CG-CD2 3.95Å; F736-L744 HydrophobicContact CE1-CD1 4.42Å; F736-L744 HydrophobicContact CE1-CD2 3.68Å; F736-L744 HydrophobicContact CE1-CG 4.08Å; F736-L744 HydrophobicContact CZ-CD2 3.68Å; F736-L744 HydrophobicContact CZ-CG 4.02Å; F736-L744 WeakPolarHBondContact O-CD1 3.47Å; Y737-L744 HydrophobicContact CD1-CD1 4.27Å; L741-L744 WeakPolarHBondContact O-CB 3.2Å; L741-L744 PolarHBondContact O-N 3.23Å; E742-L744 VanDerWaalsContact C-N 3.31Å
745I45.5Very low52.6Low119 Ų11983.1 Ų83.161%0.6142%0.422SS*.  trans-82.40168.1-59.7171.5000108.9L741L741-I745 HydrophobicContact CD2-CD1 4.08Å; L741-I745 HydrophobicContact CG-CD1 3.93Å; L741-I745 HydrophobicContact CG-CG1 4.37Å; L741-I745 PolarHBondContact O-N 2.97Å; L741-I745 VanDerWaalsContact O-N 3.08Å

Retrieved 745 of 745 residues in 195.2 ms (Link to these results)

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