A0A087XH44_POEFO Loading...

LON peptidase N-terminal domain and ring finger 3

AlphaFold DB , UniProt , Accession A0A087XH44, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 712 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
1M48.7Very low72.7Confident185 Ų18595.3 Ų95.391%0.91152%0.523SS*.  0-87.90-54.2-46.7-94.300112.1T3 E4 C5M1-T3 PolarHBondContact O-N 3.29Å; M1-E4 PolarHBondContact N-OE2 3.09Å; M1-E4 PolarHBondContact O-N 2.7Å; M1-C5 PolarHBondContact O-N 3.28Å
2G52.7Low74.1Confident53 Ų5387.3 Ų87.355%0.54648%0.479SS..Hα-helixtrans-58.5-49.3-173.900000114.8E4 C5 E6G2-E4 VanDerWaalsContact C-N 3.33Å; G2-E4 PolarHBondContact O-N 3.38Å; G2-C5 PolarHBondContact O-N 2.63Å; G2-E6 PolarHBondContact O-N 3.44Å
3T58.9Low75.3Confident109 Ų10983 Ų8367%0.66946%0.462SS*.Hα-helixtrans-65.7-29-178.147.70000114.6M1 S7M1-T3 PolarHBondContact O-N 3.29Å; T3-S7 WeakPolarHBondContact O-CB 3.1Å; T3-S7 PolarHBondContact O-N 2.82Å
4E62.9Low76.5Confident122 Ų12284.1 Ų84.157%0.5746%0.462SS*.Hα-helixtrans-78.2-36.7178.3-69159.5138.600111.3M1 G2 S7 M8M1-E4 PolarHBondContact N-OE2 3.09Å; M1-E4 PolarHBondContact O-N 2.7Å; G2-E4 VanDerWaalsContact C-N 3.33Å; G2-E4 PolarHBondContact O-N 3.38Å; E4-S7 PolarHBondContact O-N 3.03Å; E4-M8 WeakPolarHBondContact O-CG 3.42Å; E4-M8 PolarHBondContact O-N 3.28Å
5C66.7Low77.5Confident45 Ų4579 Ų7930%0.30444%0.436SS..Hα-helixtrans-62.5-49.1174.3-174.30000111M1 G2 S7 M8 L9 Q31M1-C5 PolarHBondContact O-N 3.28Å; G2-C5 PolarHBondContact O-N 2.63Å; C5-S7 VanDerWaalsContact C-N 3.33Å; C5-S7 PolarHBondContact O-N 3.36Å; C5-M8 PolarHBondContact O-N 3.2Å; C5-L9 WeakPolarHBondContact O-CG 3.33Å; C5-L9 PolarHBondContact O-N 3.4Å; C5-Q31 PolarHBondContact SG-OE1 3.2Å; C5-Q31 VanDerWaalsContact SG-OE1 3.41Å
6E74.5Confident78.4Confident143 Ų14376.9 Ų76.967%0.66842%0.421SS*.Hα-helixtrans-60.1-40.8176.1-69.9-179.3158.100112.4G2 L9 H10G2-E6 PolarHBondContact O-N 3.44Å; E6-L9 PolarHBondContact O-N 2.99Å; E6-H10 PolarHBondContact O-N 3.33Å
7S82Confident79.2Confident76 Ų7681.6 Ų81.653%0.53144%0.439SS..Hα-helixtrans-61.6-44.5175.7-172.40000112.6T3 E4 C5 H10 L11T3-S7 WeakPolarHBondContact O-CB 3.1Å; T3-S7 PolarHBondContact O-N 2.82Å; E4-S7 PolarHBondContact O-N 3.03Å; C5-S7 VanDerWaalsContact C-N 3.33Å; C5-S7 PolarHBondContact O-N 3.36Å; S7-H10 PolarHBondContact O-N 3.41Å; S7-L11 PolarHBondContact O-N 3.29Å
8M85.9Confident79.9Confident71 Ų7181.1 Ų81.135%0.3545%0.448SS..Hα-helixtrans-67.6-35.6177.1-69.6-62.7-67.900112.5E4 C5 L11 A12 I27 Q31E4-M8 WeakPolarHBondContact O-CG 3.42Å; E4-M8 PolarHBondContact O-N 3.28Å; C5-M8 PolarHBondContact O-N 3.2Å; M8-L11 PolarHBondContact O-N 3.2Å; M8-L11 HydrophobicContact SD-CD2 4.36Å; M8-A12 PolarHBondContact O-N 2.99Å; M8-I27 HydrophobicContact CB-CG2 4.26Å; M8-I27 HydrophobicContact CE-CG1 4.29Å; M8-I27 HydrophobicContact CE-CG2 3.93Å; M8-I27 WeakPolarHBondContact O-CG2 3.38Å; M8-Q31 HydrophobicContact CB-CG 4.37Å
9L87.3Confident80.5Confident46 Ų4683 Ų8324%0.24146%0.458CS..Hα-helixtrans-70.1-32.3174.9-67.5178.6000112.7C5 E6 A13 Y28 Q31 L44C5-L9 WeakPolarHBondContact O-CG 3.33Å; C5-L9 PolarHBondContact O-N 3.4Å; E6-L9 PolarHBondContact O-N 2.99Å; L9-A13 PolarHBondContact O-N 3.41Å; L9-A13 VanDerWaalsContact O-N 3.15Å; L9-Y28 HydrophobicContact CD2-CD1 4.09Å; L9-Y28 HydrophobicContact CD2-CE1 4.2Å; L9-Q31 HydrophobicContact CD2-CB 3.94Å; L9-Q31 HydrophobicContact CD2-CG 3.73Å; L9-Q31 HydrophobicContact CG-CG 4.27Å; L9-L44 HydrophobicContact CD1-CD2 4.28Å; L9-L44 HydrophobicContact CD2-CD2 3.3Å; L9-L44 HydrophobicContact CG-CD2 4.44Å
10H89.1Confident81.1Confident122 Ų12282.6 Ų82.657%0.56546%0.455SS*.Hα-helixtrans-64.7-48.4170.3-167.852.7000110.8E6 S7 A12 A13 E14E6-H10 PolarHBondContact O-N 3.33Å; S7-H10 PolarHBondContact O-N 3.41Å; H10-A12 VanDerWaalsContact C-N 3.31Å; H10-A12 PolarHBondContact O-N 3.29Å; H10-A13 WeakPolarHBondContact O-CB 3.34Å; H10-A13 PolarHBondContact O-N 2.85Å; H10-E14 IonicContact NE2-OE1 2.67Å; H10-E14 PolarHBondContact O-N 3.48Å
11L91Very high81.7Confident76 Ų7680.1 Ų80.140%0.39844%0.439SS..Hα-helixtrans-58.7-38.9176.4-174.567.2000112.7S7 M8 E14 A15 I27S7-L11 PolarHBondContact O-N 3.29Å; M8-L11 PolarHBondContact O-N 3.2Å; M8-L11 HydrophobicContact SD-CD2 4.36Å; L11-E14 PolarHBondContact O-N 3.44Å; L11-A15 VanDerWaalsContact O-CB 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.45Å; L11-A15 PolarHBondContact O-N 3.06Å; L11-I27 HydrophobicContact CD2-CD1 4.09Å; L11-I27 HydrophobicContact CG-CD1 4.1Å
12A90Very high83.8Confident0 Ų076.6 Ų76.60%042%0.421CS..Hα-helixtrans-65.4-37174.900000112.7M8 H10 F16 I27 Y28M8-A12 PolarHBondContact O-N 2.99Å; H10-A12 VanDerWaalsContact C-N 3.31Å; H10-A12 PolarHBondContact O-N 3.29Å; A12-F16 WeakPolarHBondContact O-CB 3.31Å; A12-F16 PolarHBondContact O-N 3.27Å; A12-I27 HydrophobicContact CB-CB 3.93Å; A12-I27 HydrophobicContact CB-CD1 4.42Å; A12-I27 HydrophobicContact CB-CG2 3.72Å; A12-Y28 HydrophobicContact CB-CD1 3.94Å; A12-Y28 HydrophobicContact CB-CD2 4.44Å; A12-Y28 HydrophobicContact CB-CE1 3.48Å; A12-Y28 VanDerWaalsContact CB-CE1 3.48Å; A12-Y28 HydrophobicContact CB-CE2 4.03Å; A12-Y28 HydrophobicContact CB-CG 4.38Å
13A89.8Confident85.6Confident31 Ų3177.6 Ų77.626%0.25641%0.413SS..Hα-helixtrans-70.3-39.8175.200000112L9 H10 F16 Q17L9-A13 PolarHBondContact O-N 3.41Å; L9-A13 VanDerWaalsContact O-N 3.15Å; H10-A13 WeakPolarHBondContact O-CB 3.34Å; H10-A13 PolarHBondContact O-N 2.85Å; A13-F16 PolarHBondContact O-N 2.97Å; A13-Q17 VanDerWaalsContact O-CG 3.31Å; A13-Q17 WeakPolarHBondContact O-CG 3.37Å; A13-Q17 PolarHBondContact O-N 3.16Å
14E92.1Very high87.2Confident98 Ų9872.4 Ų72.446%0.45838%0.381SS..Hα-helixtrans-63.1-45.6172.2-69.6-173.5140.900111.6H10 L11 F16 Q17 A18H10-E14 IonicContact NE2-OE1 2.67Å; H10-E14 PolarHBondContact O-N 3.48Å; L11-E14 PolarHBondContact O-N 3.44Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 3Å; E14-Q17 PolarHBondContact O-N 3.35Å; E14-A18 WeakPolarHBondContact O-CB 3.23Å; E14-A18 PolarHBondContact O-N 2.96Å
15A91.4Very high88.6Confident8 Ų866.8 Ų66.87%0.06636%0.356CS..Hα-helixtrans-58.6-43.117600000111.7L11 A18 N19 N20 L23 A24L11-A15 VanDerWaalsContact O-CB 3.31Å; L11-A15 WeakPolarHBondContact O-CB 3.45Å; L11-A15 PolarHBondContact O-N 3.06Å; A15-A18 PolarHBondContact O-N 3.34Å; A15-N19 PolarHBondContact O-N 3.5Å; A15-N20 HydrophobicContact CB-CB 4.45Å; A15-N20 WeakPolarHBondContact O-CA 3.45Å; A15-N20 PolarHBondContact O-N 2.67Å; A15-L23 HydrophobicContact CB-CB 4.49Å; A15-L23 HydrophobicContact CB-CD2 4.17Å; A15-L23 HydrophobicContact CB-CG 4.27Å; A15-A24 HydrophobicContact CB-CB 4.11Å
16F91.1Very high89.9Confident46 Ų4668.9 Ų68.920%0.20236%0.364CS..Hα-helixtrans-62.8-45174.9-171.3-83.8000112A12 A13 E14 A18 N19 F21 A24 D50 A51 F54A12-F16 WeakPolarHBondContact O-CB 3.31Å; A12-F16 PolarHBondContact O-N 3.27Å; A13-F16 PolarHBondContact O-N 2.97Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 3Å; F16-A18 VanDerWaalsContact C-N 3.3Å; F16-A18 PolarHBondContact O-N 3.25Å; F16-N19 PolarHBondContact O-N 3.31Å; F16-N19 VanDerWaalsContact O-N 3.08Å; F16-F21 HydrophobicContact CD1-CE1 4.49Å; F16-F21 AromaticContact CD2-CD1 3.85Å; F16-F21 HydrophobicContact CD2-CD1 3.85Å; F16-F21 HydrophobicContact CD2-CE1 4.16Å; F16-F21 HydrophobicContact CE1-CE1 4.43Å; F16-F21 AromaticContact CE2-CD1 3.96Å; F16-F21 HydrophobicContact CE2-CD1 3.96Å; F16-F21 HydrophobicContact CE2-CE1 4.1Å; F16-F21 HydrophobicContact CG-CD1 4.35Å; F16-F21 HydrophobicContact CG-CE1 4.35Å; F16-F21 HydrophobicContact CZ-CE1 4.24Å; F16-F21 WeakPolarHBondContact O-CE1 3.47Å; F16-A24 HydrophobicContact CB-CB 4.04Å; F16-A24 HydrophobicContact CD2-CB 4.49Å; F16-D50 HydrophobicContact CE2-CB 4.03Å; F16-D50 HydrophobicContact CZ-CB 4.33Å; F16-A51 HydrophobicContact CD2-CB 4.13Å; F16-A51 HydrophobicContact CE2-CB 4.35Å; F16-F54 HydrophobicContact CE2-CD2 4.24Å; F16-F54 AromaticContact CZ-CD2 3.83Å; F16-F54 HydrophobicContact CZ-CD2 3.83Å; F16-F54 HydrophobicContact CZ-CE2 4.17Å; F16-F54 HydrophobicContact CZ-CG 4.27Å
17Q91.6Very high90.7Very high156 Ų15662.6 Ų62.673%0.72934%0.335SS*.Hα-helixtrans-65.1-32176.4-71.6175.928.700112.8A13 E14 N19A13-Q17 VanDerWaalsContact O-CG 3.31Å; A13-Q17 WeakPolarHBondContact O-CG 3.37Å; A13-Q17 PolarHBondContact O-N 3.16Å; E14-Q17 PolarHBondContact O-N 3.35Å; Q17-N19 PolarHBondContact O-N 2.97Å
18A92.1Very high91.2Very high73 Ų7359.5 Ų59.560%0.60331%0.312SS*.THydrogen-bonded Turntrans-76.21.5173.800000113.8E14 A15 F16 N20E14-A18 WeakPolarHBondContact O-CB 3.23Å; E14-A18 PolarHBondContact O-N 2.96Å; A15-A18 PolarHBondContact O-N 3.34Å; F16-A18 VanDerWaalsContact C-N 3.3Å; F16-A18 PolarHBondContact O-N 3.25Å; A18-N20 PolarHBondContact O-N 3.01Å
19N90.9Very high91.4Very high117 Ų11760.6 Ų60.663%0.62632%0.316SS*.THydrogen-bonded Turntrans63.418.4-172.4-48.7-86.1000114.7A15 F16 Q17 F21A15-N19 PolarHBondContact O-N 3.5Å; F16-N19 PolarHBondContact O-N 3.31Å; F16-N19 VanDerWaalsContact O-N 3.08Å; Q17-N19 PolarHBondContact O-N 2.97Å; N19-F21 VanDerWaalsContact C-N 3.27Å; N19-F21 HydrophobicContact CB-CE2 3.77Å; N19-F21 HydrophobicContact CB-CZ 3.76Å; N19-F21 WeakPolarHBondContact O-CD2 3.45Å; N19-F21 PolarHBondContact O-N 2.94Å; N19-F21 VanDerWaalsContact O-N 3.13Å; N19-F21 WeakPolarHBondContact OD1-CZ 3.34Å
20N93.1Very high91.5Very high75 Ų7562.2 Ų62.240%0.40133%0.33SS..  trans-87.370.1171.6-168.8-5.9000109.9A15 A18 E22 L23 A24A15-N20 HydrophobicContact CB-CB 4.45Å; A15-N20 WeakPolarHBondContact O-CA 3.45Å; A15-N20 PolarHBondContact O-N 2.67Å; A18-N20 PolarHBondContact O-N 3.01Å; N20-E22 PolarHBondContact O-N 3.39Å; N20-L23 HydrophobicContact CB-CB 4.48Å; N20-L23 WeakPolarHBondContact ND2-CD2 3.4Å; N20-L23 WeakPolarHBondContact OD1-CB 3.41Å; N20-L23 PolarHBondContact OD1-N 2.95Å; N20-A24 PolarHBondContact O-N 2.95Å; N20-A24 VanDerWaalsContact O-N 3.12Å
21F93.9Very high91.4Very high30 Ų3057.5 Ų57.513%0.13231%0.308CS..Hα-helixtrans-69-30.7-170.2-57.4-59.6000114F16 N19 A24 A25 A51 F54F16-F21 HydrophobicContact CD1-CE1 4.49Å; F16-F21 AromaticContact CD2-CD1 3.85Å; F16-F21 HydrophobicContact CD2-CD1 3.85Å; F16-F21 HydrophobicContact CD2-CE1 4.16Å; F16-F21 HydrophobicContact CE1-CE1 4.43Å; F16-F21 AromaticContact CE2-CD1 3.96Å; F16-F21 HydrophobicContact CE2-CD1 3.96Å; F16-F21 HydrophobicContact CE2-CE1 4.1Å; F16-F21 HydrophobicContact CG-CD1 4.35Å; F16-F21 HydrophobicContact CG-CE1 4.35Å; F16-F21 HydrophobicContact CZ-CE1 4.24Å; F16-F21 WeakPolarHBondContact O-CE1 3.47Å; N19-F21 VanDerWaalsContact C-N 3.27Å; N19-F21 HydrophobicContact CB-CE2 3.77Å; N19-F21 HydrophobicContact CB-CZ 3.76Å; N19-F21 WeakPolarHBondContact O-CD2 3.45Å; N19-F21 PolarHBondContact O-N 2.94Å; N19-F21 VanDerWaalsContact O-N 3.13Å; N19-F21 WeakPolarHBondContact OD1-CZ 3.34Å; F21-A24 PolarHBondContact O-N 3.21Å; F21-A25 WeakPolarHBondContact O-CB 3.32Å; F21-A25 PolarHBondContact O-N 3.39Å; F21-A51 WeakPolarHBondContact CB-O 3.36Å; F21-F54 HydrophobicContact CD1-CB 3.63Å; F21-F54 HydrophobicContact CD2-CB 3.95Å; F21-F54 HydrophobicContact CE1-CB 3.6Å; F21-F54 HydrophobicContact CE1-CD1 4.39Å; F21-F54 HydrophobicContact CE1-CG 4.15Å; F21-F54 HydrophobicContact CE2-CB 3.91Å; F21-F54 HydrophobicContact CG-CB 3.82Å; F21-F54 HydrophobicContact CZ-CB 3.75Å; F21-F54 HydrophobicContact CZ-CD1 4.12Å; F21-F54 HydrophobicContact CZ-CG 4.26Å
22E92.3Very high91.2Very high111 Ų11154.7 Ų54.752%0.51929%0.293SS..Hα-helixtrans-66.7-50.6176.4-61.1-161.1118.500110.9N20 A24 A25 D26 K57N20-E22 PolarHBondContact O-N 3.39Å; E22-A24 VanDerWaalsContact C-N 3.27Å; E22-A24 PolarHBondContact O-N 3.35Å; E22-A25 PolarHBondContact O-N 3Å; E22-A25 VanDerWaalsContact O-N 3.1Å; E22-D26 PolarHBondContact O-N 2.8Å; E22-K57 VanDerWaalsContact OE1-CE 3.29Å; E22-K57 WeakPolarHBondContact OE1-CE 3.45Å; E22-K57 IonicContact OE1-NZ 2.92Å; E22-K57 PolarHBondContact OE1-NZ 3.42Å
23L91.8Very high90.6Very high75 Ų7559 Ų5939%0.39333%0.33SS..Hα-helixtrans-58.4-39.5175.518062.5000112.1A15 N20 I27A15-L23 HydrophobicContact CB-CB 4.49Å; A15-L23 HydrophobicContact CB-CD2 4.17Å; A15-L23 HydrophobicContact CB-CG 4.27Å; N20-L23 HydrophobicContact CB-CB 4.48Å; N20-L23 WeakPolarHBondContact ND2-CD2 3.4Å; N20-L23 WeakPolarHBondContact OD1-CB 3.41Å; N20-L23 PolarHBondContact OD1-N 2.95Å; L23-I27 HydrophobicContact CD1-CD1 3.93Å; L23-I27 HydrophobicContact CD1-CG1 4.2Å; L23-I27 HydrophobicContact CG-CD1 3.85Å; L23-I27 WeakPolarHBondContact O-CD1 3.45Å; L23-I27 VanDerWaalsContact O-CG1 3.23Å; L23-I27 WeakPolarHBondContact O-CG1 3.31Å; L23-I27 PolarHBondContact O-N 3.39Å
24A92.6Very high90Very high0 Ų062 Ų620%035%0.347CS..Hα-helixtrans-63.1-45.6175.900000111.8A15 F16 N20 F21 E22 I27 Y28 A51A15-A24 HydrophobicContact CB-CB 4.11Å; F16-A24 HydrophobicContact CB-CB 4.04Å; F16-A24 HydrophobicContact CD2-CB 4.49Å; N20-A24 PolarHBondContact O-N 2.95Å; N20-A24 VanDerWaalsContact O-N 3.12Å; F21-A24 PolarHBondContact O-N 3.21Å; E22-A24 VanDerWaalsContact C-N 3.27Å; E22-A24 PolarHBondContact O-N 3.35Å; A24-I27 PolarHBondContact O-N 3.42Å; A24-Y28 HydrophobicContact CB-CE2 4.23Å; A24-Y28 WeakPolarHBondContact O-CD2 3.31Å; A24-Y28 PolarHBondContact O-N 3.26Å; A24-A51 HydrophobicContact CB-CB 4.12Å
25A92.4Very high89.3Confident3 Ų358.3 Ų58.33%0.02533%0.333CS..Hα-helixtrans-61.1-45.4177.900000111.9F21 E22 Y28 E29 A51 L52F21-A25 WeakPolarHBondContact O-CB 3.32Å; F21-A25 PolarHBondContact O-N 3.39Å; E22-A25 PolarHBondContact O-N 3Å; E22-A25 VanDerWaalsContact O-N 3.1Å; A25-Y28 PolarHBondContact O-N 2.97Å; A25-E29 WeakPolarHBondContact O-CB 3.47Å; A25-E29 PolarHBondContact O-N 3.38Å; A25-A51 HydrophobicContact CB-CB 3.76Å; A25-L52 HydrophobicContact CB-CD2 4.07Å; A25-L52 HydrophobicContact CB-CG 4.19Å
26D92.3Very high88.3Confident90 Ų9061.8 Ų61.848%0.48137%0.37SS..Hα-helixtrans-62.3-44.6178.7-66.7-12.6000111.5E22 E29 C30E22-D26 PolarHBondContact O-N 2.8Å; D26-E29 WeakPolarHBondContact O-CB 3.47Å; D26-E29 PolarHBondContact O-N 3.25Å; D26-C30 PolarHBondContact O-N 2.7Å; D26-C30 PolarHBondContact O-SG 3.43Å
27I91.1Very high87.9Confident10 Ų1063.2 Ų63.25%0.05138%0.38CS..Hα-helixtrans-64.6-44177.5-63.4163000110.8M8 L11 A12 L23 A24 E29 C30 Q31M8-I27 HydrophobicContact CB-CG2 4.26Å; M8-I27 HydrophobicContact CE-CG1 4.29Å; M8-I27 HydrophobicContact CE-CG2 3.93Å; M8-I27 WeakPolarHBondContact O-CG2 3.38Å; L11-I27 HydrophobicContact CD2-CD1 4.09Å; L11-I27 HydrophobicContact CG-CD1 4.1Å; A12-I27 HydrophobicContact CB-CB 3.93Å; A12-I27 HydrophobicContact CB-CD1 4.42Å; A12-I27 HydrophobicContact CB-CG2 3.72Å; L23-I27 HydrophobicContact CD1-CD1 3.93Å; L23-I27 HydrophobicContact CD1-CG1 4.2Å; L23-I27 HydrophobicContact CG-CD1 3.85Å; L23-I27 WeakPolarHBondContact O-CD1 3.45Å; L23-I27 VanDerWaalsContact O-CG1 3.23Å; L23-I27 WeakPolarHBondContact O-CG1 3.31Å; L23-I27 PolarHBondContact O-N 3.39Å; A24-I27 PolarHBondContact O-N 3.42Å; I27-E29 VanDerWaalsContact C-N 3.27Å; I27-E29 PolarHBondContact O-N 2.93Å; I27-C30 PolarHBondContact O-N 3.23Å; I27-Q31 HydrophobicContact CG2-CG 4.42Å; I27-Q31 WeakPolarHBondContact O-CG 3.48Å; I27-Q31 PolarHBondContact O-N 3.23Å
28Y92.8Very high87.5Confident12 Ų1260 Ų605%0.04737%0.372CS..Hα-helixtrans-62.1-35.5176.1-68.3-51.9000111.9L9 A12 A24 A25 Q31 L32 L44 K47 A51L9-Y28 HydrophobicContact CD2-CD1 4.09Å; L9-Y28 HydrophobicContact CD2-CE1 4.2Å; A12-Y28 HydrophobicContact CB-CD1 3.94Å; A12-Y28 HydrophobicContact CB-CD2 4.44Å; A12-Y28 HydrophobicContact CB-CE1 3.48Å; A12-Y28 VanDerWaalsContact CB-CE1 3.48Å; A12-Y28 HydrophobicContact CB-CE2 4.03Å; A12-Y28 HydrophobicContact CB-CG 4.38Å; A24-Y28 HydrophobicContact CB-CE2 4.23Å; A24-Y28 WeakPolarHBondContact O-CD2 3.31Å; A24-Y28 PolarHBondContact O-N 3.26Å; A25-Y28 PolarHBondContact O-N 2.97Å; Y28-Q31 PolarHBondContact O-N 3.33Å; Y28-L32 WeakPolarHBondContact O-CG 3.49Å; Y28-L32 PolarHBondContact O-N 2.8Å; Y28-L44 HydrophobicContact CD1-CD2 3.97Å; Y28-K47 HydrophobicContact CD1-CB 4.05Å; Y28-K47 HydrophobicContact CD1-CD 4.49Å; Y28-K47 HydrophobicContact CD2-CB 3.91Å; Y28-K47 HydrophobicContact CE1-CB 3.85Å; Y28-K47 HydrophobicContact CE1-CD 3.8Å; Y28-K47 HydrophobicContact CE1-CG 4.42Å; Y28-K47 HydrophobicContact CE2-CB 3.73Å; Y28-K47 HydrophobicContact CG-CB 4.1Å; Y28-A51 HydrophobicContact CD2-CB 4.5Å
29E90.4Very high87.1Confident94 Ų9458.3 Ų58.344%0.43936%0.362SS..Hα-helixtrans-64.1-45.2173.6-170.4158-177.300112.7A25 D26 I27 Q31 L32 R48A25-E29 WeakPolarHBondContact O-CB 3.47Å; A25-E29 PolarHBondContact O-N 3.38Å; D26-E29 WeakPolarHBondContact O-CB 3.47Å; D26-E29 PolarHBondContact O-N 3.25Å; I27-E29 VanDerWaalsContact C-N 3.27Å; I27-E29 PolarHBondContact O-N 2.93Å; E29-Q31 VanDerWaalsContact C-N 3.3Å; E29-Q31 PolarHBondContact O-N 3.44Å; E29-L32 WeakPolarHBondContact O-CB 3.4Å; E29-L32 PolarHBondContact O-N 2.7Å; E29-R48 IonicContact OE1-CZ 3.15Å; E29-R48 IonicContact OE1-NH2 2.68Å; E29-R48 PolarHBondContact OE1-NH2 2.66Å; E29-R48 IonicContact OE2-CZ 2.99Å; E29-R48 IonicContact OE2-NE 3.93Å; E29-R48 PolarHBondContact OE2-NE 2.92Å; E29-R48 IonicContact OE2-NH2 3.48Å; E29-R48 PolarHBondContact OE2-NH2 3.26Å
30C88.9Confident86.9Confident80 Ų8055.5 Ų55.554%0.54135%0.352SS..Hα-helixtrans-59.8-39.7173.4-67.60000112.3D26 I27 A33D26-C30 PolarHBondContact O-N 2.7Å; D26-C30 PolarHBondContact O-SG 3.43Å; I27-C30 PolarHBondContact O-N 3.23Å; C30-A33 PolarHBondContact O-N 3.21Å
31Q88.4Confident86.7Confident22 Ų2256.7 Ų56.710%0.10335%0.351CS..Hα-helixtrans-74.1-25.1178.1-60.7-47.9-49.700113.2C5 M8 L9 I27 Y28 E29 A33 C34 A35 L44C5-Q31 PolarHBondContact SG-OE1 3.2Å; C5-Q31 VanDerWaalsContact SG-OE1 3.41Å; M8-Q31 HydrophobicContact CB-CG 4.37Å; L9-Q31 HydrophobicContact CD2-CB 3.94Å; L9-Q31 HydrophobicContact CD2-CG 3.73Å; L9-Q31 HydrophobicContact CG-CG 4.27Å; I27-Q31 HydrophobicContact CG2-CG 4.42Å; I27-Q31 WeakPolarHBondContact O-CG 3.48Å; I27-Q31 PolarHBondContact O-N 3.23Å; Y28-Q31 PolarHBondContact O-N 3.33Å; E29-Q31 VanDerWaalsContact C-N 3.3Å; E29-Q31 PolarHBondContact O-N 3.44Å; Q31-A33 PolarHBondContact O-N 3.34Å; Q31-C34 PolarHBondContact O-N 2.75Å; Q31-A35 PolarHBondContact O-N 3.06Å; Q31-L44 HydrophobicContact CB-CD1 4.3Å
32L86.2Confident86.6Confident17 Ų1755.7 Ų55.79%0.08935%0.347CS..Hα-helixtrans-64.1-23.7174.3-82168.8000113.8Y28 E29 C34 R41 L44 M45 R48Y28-L32 WeakPolarHBondContact O-CG 3.49Å; Y28-L32 PolarHBondContact O-N 2.8Å; E29-L32 WeakPolarHBondContact O-CB 3.4Å; E29-L32 PolarHBondContact O-N 2.7Å; L32-C34 VanDerWaalsContact C-N 3.29Å; L32-R41 HydrophobicContact CD2-CG 4.02Å; L32-R41 WeakPolarHBondContact CD2-O 3.32Å; L32-R41 PolarHBondContact O-NH1 3.33Å; L32-L44 HydrophobicContact CD2-CB 3.51Å; L32-L44 HydrophobicContact CD2-CD1 4.49Å; L32-L44 HydrophobicContact CG-CB 3.89Å; L32-M45 HydrophobicContact CD1-CG 3.93Å; L32-M45 HydrophobicContact CD2-CG 3.53Å; L32-M45 HydrophobicContact CG-CG 4.41Å; L32-R48 HydrophobicContact CD1-CB 4.47Å
33A78.3Confident86.5Confident92 Ų9254.5 Ų54.576%0.7634%0.341SS*.THydrogen-bonded Turntrans-73.1-22.1171.800000112.9C30 Q31C30-A33 PolarHBondContact O-N 3.21Å; Q31-A33 PolarHBondContact O-N 3.34Å
34C76.7Confident86.5Confident93 Ų9351.5 Ų51.563%0.62833%0.325SS*.THydrogen-bonded Turntrans-99.2-10.1-177.7-61.80000113.5Q31 L32 G36Q31-C34 PolarHBondContact O-N 2.75Å; L32-C34 VanDerWaalsContact C-N 3.29Å; C34-G36 PolarHBondContact O-N 3.42Å
35A76.3Confident86.5Confident20 Ų2052.1 Ų52.117%0.16533%0.328CS..  trans-78.3105.7-176.500000112.1Q31 R41 L44Q31-A35 PolarHBondContact O-N 3.06Å; A35-R41 HydrophobicContact CB-CB 4.2Å; A35-L44 HydrophobicContact CB-CD1 3.84Å
36G70.3Confident86.6Confident81 Ų8152.3 Ų52.384%0.83533%0.329SS*.  trans-86.9-23.7-176.300000115.9C34C34-G36 PolarHBondContact O-N 3.42Å
37D84.6Confident86.7Confident76 Ų7651.8 Ų51.841%0.40632%0.323SS..SBendtrans-102.4146.2178.479.792.5000112.3G39 S40 R41D37-G39 VanDerWaalsContact C-N 3.28Å; D37-G39 PolarHBondContact O-N 3.36Å; D37-G39 WeakPolarHBondContact OD1-CA 3.37Å; D37-G39 PolarHBondContact OD1-N 3.19Å; D37-S40 VanDerWaalsContact CG-OG 3.32Å; D37-S40 PolarHBondContact OD1-N 3.09Å; D37-S40 PolarHBondContact OD1-OG 3.08Å; D37-S40 WeakPolarHBondContact OD2-CB 3.44Å; D37-S40 PolarHBondContact OD2-OG 3.33Å; D37-R41 WeakPolarHBondContact O-CB 3.28Å; D37-R41 PolarHBondContact O-N 2.97Å; D37-R41 VanDerWaalsContact O-N 3.09Å
38P83.3Confident86.8Confident89 Ų8953.2 Ų53.258%0.57833%0.327SS*.Hα-helixtrans-61.7-30.5-177.9-25.535.1000114.7L42 I71P38-L42 WeakPolarHBondContact O-CB 3.44Å; P38-L42 PolarHBondContact O-N 2.89Å; P38-I71 HydrophobicContact CB-CG2 3.88Å
39G83.6Confident86.8Confident38 Ų3852.7 Ų52.739%0.39233%0.325SS..Hα-helixtrans-71.7-51.5-177.100000112.2D37 R41 L42 E43D37-G39 VanDerWaalsContact C-N 3.28Å; D37-G39 PolarHBondContact O-N 3.36Å; D37-G39 WeakPolarHBondContact OD1-CA 3.37Å; D37-G39 PolarHBondContact OD1-N 3.19Å; G39-R41 VanDerWaalsContact C-N 3.27Å; G39-R41 PolarHBondContact O-N 3.37Å; G39-L42 WeakPolarHBondContact O-CB 3.43Å; G39-L42 PolarHBondContact O-N 2.94Å; G39-E43 PolarHBondContact O-N 3.48Å
40S85.6Confident87Confident57 Ų5748.5 Ų48.540%0.39931%0.306SS..Hα-helixtrans-62.9-36.4174-53.40000111.4D37 E43 L44D37-S40 VanDerWaalsContact CG-OG 3.32Å; D37-S40 PolarHBondContact OD1-N 3.09Å; D37-S40 PolarHBondContact OD1-OG 3.08Å; D37-S40 WeakPolarHBondContact OD2-CB 3.44Å; D37-S40 PolarHBondContact OD2-OG 3.33Å; S40-E43 PolarHBondContact O-N 3.05Å; S40-L44 WeakPolarHBondContact O-CB 2.95Å; S40-L44 VanDerWaalsContact O-CG 3.23Å; S40-L44 WeakPolarHBondContact O-CG 3.44Å; S40-L44 PolarHBondContact O-N 2.88Å
41R89.4Confident87.2Confident101 Ų10144.7 Ų44.738%0.38128%0.28SS..Hα-helixtrans-60.8-46.8174.9-172.3176.9-175.876.57.7111.7L32 A35 D37 G39 L44 M45 I71L32-R41 HydrophobicContact CD2-CG 4.02Å; L32-R41 WeakPolarHBondContact CD2-O 3.32Å; L32-R41 PolarHBondContact O-NH1 3.33Å; A35-R41 HydrophobicContact CB-CB 4.2Å; D37-R41 WeakPolarHBondContact O-CB 3.28Å; D37-R41 PolarHBondContact O-N 2.97Å; D37-R41 VanDerWaalsContact O-N 3.09Å; G39-R41 VanDerWaalsContact C-N 3.27Å; G39-R41 PolarHBondContact O-N 3.37Å; R41-L44 PolarHBondContact O-N 3.21Å; R41-M45 HydrophobicContact CG-SD 4.2Å; R41-M45 VanDerWaalsContact O-CG 3.31Å; R41-M45 WeakPolarHBondContact O-CG 3.35Å; R41-M45 PolarHBondContact O-N 2.91Å; R41-I71 HydrophobicContact CB-CD1 4.47Å; R41-I71 HydrophobicContact CG-CD1 4.01Å
42L90.9Very high87.4Confident9 Ų944.2 Ų44.25%0.04728%0.278CS..Hα-helixtrans-57.6-50.5175.2172.362.1000112.1P38 G39 L44 M45 V46 A68 I71 D72 L74P38-L42 WeakPolarHBondContact O-CB 3.44Å; P38-L42 PolarHBondContact O-N 2.89Å; G39-L42 WeakPolarHBondContact O-CB 3.43Å; G39-L42 PolarHBondContact O-N 2.94Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.15Å; L42-M45 PolarHBondContact O-N 3.37Å; L42-V46 HydrophobicContact CD1-CG2 4.26Å; L42-V46 WeakPolarHBondContact O-CG2 3.31Å; L42-V46 PolarHBondContact O-N 3.44Å; L42-A68 HydrophobicContact CD1-CB 3.87Å; L42-A68 VanDerWaalsContact CD1-O 3.31Å; L42-A68 WeakPolarHBondContact CD1-O 3.44Å; L42-I71 HydrophobicContact CB-CG2 4.3Å; L42-D72 HydrophobicContact CD2-CB 3.8Å; L42-L74 HydrophobicContact CD1-CD2 4Å
43E91Very high87.5Confident85 Ų8543.4 Ų43.440%0.39727%0.274SS..Hα-helixtrans-58.5-39.8178.6-74.8-71.2164.300112.4G39 S40 K47 H78G39-E43 PolarHBondContact O-N 3.48Å; S40-E43 PolarHBondContact O-N 3.05Å; E43-K47 VanDerWaalsContact O-CG 3.28Å; E43-K47 WeakPolarHBondContact O-CG 3.23Å; E43-K47 PolarHBondContact O-N 2.87Å; E43-H78 IonicContact OE1-NE2 2.8Å
44L92Very high88Confident13 Ų1342 Ų427%0.06825%0.251CS..Hα-helixtrans-71.5-36.5176.8-68.6171.7000112.8L9 Y28 Q31 L32 A35 S40 R41 L42 K47 R48L9-L44 HydrophobicContact CD1-CD2 4.28Å; L9-L44 HydrophobicContact CD2-CD2 3.3Å; L9-L44 HydrophobicContact CG-CD2 4.44Å; Y28-L44 HydrophobicContact CD1-CD2 3.97Å; Q31-L44 HydrophobicContact CB-CD1 4.3Å; L32-L44 HydrophobicContact CD2-CB 3.51Å; L32-L44 HydrophobicContact CD2-CD1 4.49Å; L32-L44 HydrophobicContact CG-CB 3.89Å; A35-L44 HydrophobicContact CB-CD1 3.84Å; S40-L44 WeakPolarHBondContact O-CB 2.95Å; S40-L44 VanDerWaalsContact O-CG 3.23Å; S40-L44 WeakPolarHBondContact O-CG 3.44Å; S40-L44 PolarHBondContact O-N 2.88Å; R41-L44 PolarHBondContact O-N 3.21Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.15Å; L44-K47 PolarHBondContact O-N 3.35Å; L44-R48 WeakPolarHBondContact O-CB 3.43Å; L44-R48 PolarHBondContact O-N 2.96Å
45M92.8Very high88.5Confident13 Ų1339.2 Ų39.26%0.06424%0.238CC..Hα-helixtrans-65-42.4174.5-70.8177.170.300111.2L32 R41 L42 R48 A49 V64 Q67 A68 I71L32-M45 HydrophobicContact CD1-CG 3.93Å; L32-M45 HydrophobicContact CD2-CG 3.53Å; L32-M45 HydrophobicContact CG-CG 4.41Å; R41-M45 HydrophobicContact CG-SD 4.2Å; R41-M45 VanDerWaalsContact O-CG 3.31Å; R41-M45 WeakPolarHBondContact O-CG 3.35Å; R41-M45 PolarHBondContact O-N 2.91Å; L42-M45 PolarHBondContact O-N 3.37Å; M45-R48 PolarHBondContact O-N 2.73Å; M45-A49 WeakPolarHBondContact O-CB 3.36Å; M45-A49 PolarHBondContact O-N 2.93Å; M45-V64 HydrophobicContact CB-CG1 4.23Å; M45-V64 VanDerWaalsContact O-CG1 3.32Å; M45-V64 WeakPolarHBondContact O-CG1 3.32Å; M45-Q67 HydrophobicContact CE-CB 3.42Å; M45-Q67 VanDerWaalsContact CE-CB 3.42Å; M45-A68 HydrophobicContact CB-CB 3.97Å; M45-A68 HydrophobicContact CE-CB 4.31Å; M45-I71 HydrophobicContact SD-CD1 3.56Å; M45-I71 VanDerWaalsContact SD-CD1 3.56Å
46V94Very high88.9Confident6 Ų640.6 Ų40.64%0.03625%0.254CS..Hα-helixtrans-60.5-47.5174.6170.40000111L42 R48 A49 D50 Y65 A68 L74 H78L42-V46 HydrophobicContact CD1-CG2 4.26Å; L42-V46 WeakPolarHBondContact O-CG2 3.31Å; L42-V46 PolarHBondContact O-N 3.44Å; V46-R48 PolarHBondContact O-N 2.8Å; V46-A49 WeakPolarHBondContact O-CB 3.39Å; V46-A49 PolarHBondContact O-N 2.86Å; V46-D50 PolarHBondContact O-N 3.29Å; V46-Y65 HydrophobicContact CG1-CE1 4.14Å; V46-Y65 HydrophobicContact CG2-CE1 4.34Å; V46-A68 HydrophobicContact CG2-CB 4.45Å; V46-L74 HydrophobicContact CG2-CD2 4.38Å; V46-H78 HydrophobicContact CG1-CB 3.95Å; V46-H78 WeakPolarHBondContact CG1-O 3.44Å; V46-H78 HydrophobicContact CG2-CB 3.86Å
47K93.7Very high89.7Confident80 Ų8040.1 Ų40.135%0.34823%0.229SC..Hα-helixtrans-64-36.9178-70.6173-170.8177.60113.3Y28 E43 L44 A51Y28-K47 HydrophobicContact CD1-CB 4.05Å; Y28-K47 HydrophobicContact CD1-CD 4.49Å; Y28-K47 HydrophobicContact CD2-CB 3.91Å; Y28-K47 HydrophobicContact CE1-CB 3.85Å; Y28-K47 HydrophobicContact CE1-CD 3.8Å; Y28-K47 HydrophobicContact CE1-CG 4.42Å; Y28-K47 HydrophobicContact CE2-CB 3.73Å; Y28-K47 HydrophobicContact CG-CB 4.1Å; E43-K47 VanDerWaalsContact O-CG 3.28Å; E43-K47 WeakPolarHBondContact O-CG 3.23Å; E43-K47 PolarHBondContact O-N 2.87Å; L44-K47 PolarHBondContact O-N 3.35Å; K47-A51 WeakPolarHBondContact O-CB 3.46Å; K47-A51 PolarHBondContact O-N 2.97Å
48R94Very high89.8Confident40 Ų4037.5 Ų37.515%0.15122%0.216CC..Hα-helixtrans-64.9-44.7171.4-177.1172.7172.9-102.61.6111.2E29 L32 L44 M45 V46 D50 A51 L52E29-R48 IonicContact OE1-CZ 3.15Å; E29-R48 IonicContact OE1-NH2 2.68Å; E29-R48 PolarHBondContact OE1-NH2 2.66Å; E29-R48 IonicContact OE2-CZ 2.99Å; E29-R48 IonicContact OE2-NE 3.93Å; E29-R48 PolarHBondContact OE2-NE 2.92Å; E29-R48 IonicContact OE2-NH2 3.48Å; E29-R48 PolarHBondContact OE2-NH2 3.26Å; L32-R48 HydrophobicContact CD1-CB 4.47Å; L44-R48 WeakPolarHBondContact O-CB 3.43Å; L44-R48 PolarHBondContact O-N 2.96Å; M45-R48 PolarHBondContact O-N 2.73Å; V46-R48 PolarHBondContact O-N 2.8Å; R48-D50 VanDerWaalsContact C-N 3.34Å; R48-D50 PolarHBondContact O-N 3.03Å; R48-A51 PolarHBondContact O-N 3.1Å; R48-L52 HydrophobicContact CG-CD1 4.07Å; R48-L52 HydrophobicContact CG-CG 4.48Å; R48-L52 VanDerWaalsContact O-CG 3.3Å; R48-L52 WeakPolarHBondContact O-CG 3.44Å; R48-L52 PolarHBondContact O-N 3.48Å
49A93.4Very high89.8Confident0 Ų036.7 Ų36.70%022%0.217CC..Hα-helixtrans-62.4-40.5177.900000112.1M45 V46 L52 A53 A61 V64 Y65M45-A49 WeakPolarHBondContact O-CB 3.36Å; M45-A49 PolarHBondContact O-N 2.93Å; V46-A49 WeakPolarHBondContact O-CB 3.39Å; V46-A49 PolarHBondContact O-N 2.86Å; A49-L52 PolarHBondContact O-N 3.12Å; A49-A53 WeakPolarHBondContact O-CB 3.02Å; A49-A53 PolarHBondContact O-N 3.49Å; A49-A61 VanDerWaalsContact O-CB 3.27Å; A49-A61 WeakPolarHBondContact O-CB 3.48Å; A49-V64 HydrophobicContact CB-CB 3.96Å; A49-V64 HydrophobicContact CB-CG1 3.88Å; A49-Y65 HydrophobicContact CB-CD1 4.26Å; A49-Y65 HydrophobicContact CB-CD2 3.46Å; A49-Y65 VanDerWaalsContact CB-CD2 3.46Å; A49-Y65 HydrophobicContact CB-CE1 4.37Å; A49-Y65 HydrophobicContact CB-CE2 3.57Å; A49-Y65 HydrophobicContact CB-CG 3.83Å
50D93.6Very high90Very high7 Ų739.8 Ų39.84%0.03722%0.221CC..Hα-helixtrans-59.2-50.4171.5-84.1-31.3000111.8F16 V46 R48 L52 A53 F54 Y65 N81F16-D50 HydrophobicContact CE2-CB 4.03Å; F16-D50 HydrophobicContact CZ-CB 4.33Å; V46-D50 PolarHBondContact O-N 3.29Å; R48-D50 VanDerWaalsContact C-N 3.34Å; R48-D50 PolarHBondContact O-N 3.03Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 3.34Å; D50-A53 PolarHBondContact O-N 3.03Å; D50-A53 VanDerWaalsContact O-N 3.15Å; D50-F54 WeakPolarHBondContact O-CD2 3.29Å; D50-F54 PolarHBondContact O-N 3.44Å; D50-Y65 PolarHBondContact OD1-OH 3.47Å; D50-N81 WeakPolarHBondContact OD1-CB 3.24Å; D50-N81 VanDerWaalsContact OD2-CB 3.29Å; D50-N81 WeakPolarHBondContact OD2-CB 3.46Å; D50-N81 PolarHBondContact OD2-ND2 2.95Å
51A93.6Very high90.2Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-58.3-44178.100000111.6F16 F21 A24 A25 Y28 K47 R48 A53 G55F16-A51 HydrophobicContact CD2-CB 4.13Å; F16-A51 HydrophobicContact CE2-CB 4.35Å; F21-A51 WeakPolarHBondContact CB-O 3.36Å; A24-A51 HydrophobicContact CB-CB 4.12Å; A25-A51 HydrophobicContact CB-CB 3.76Å; Y28-A51 HydrophobicContact CD2-CB 4.5Å; K47-A51 WeakPolarHBondContact O-CB 3.46Å; K47-A51 PolarHBondContact O-N 2.97Å; R48-A51 PolarHBondContact O-N 3.1Å; A51-A53 PolarHBondContact O-N 3.32Å; A51-G55 PolarHBondContact O-N 3.16Å
52L91.9Very high90.1Very high11 Ų1132.9 Ų32.96%0.05819%0.186CC..Hα-helixtrans-61.9-41.9174.5-68.5168.7000112.5A25 R48 A49 D50 G55 G56 K57 E60 A61 V64A25-L52 HydrophobicContact CB-CD2 4.07Å; A25-L52 HydrophobicContact CB-CG 4.19Å; R48-L52 HydrophobicContact CG-CD1 4.07Å; R48-L52 HydrophobicContact CG-CG 4.48Å; R48-L52 VanDerWaalsContact O-CG 3.3Å; R48-L52 WeakPolarHBondContact O-CG 3.44Å; R48-L52 PolarHBondContact O-N 3.48Å; A49-L52 PolarHBondContact O-N 3.12Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 3.34Å; L52-G55 CarbonylContact O-C 3.58Å; L52-G55 PolarHBondContact O-N 2.99Å; L52-G56 PolarHBondContact O-N 2.73Å; L52-K57 HydrophobicContact CB-CB 4.35Å; L52-K57 HydrophobicContact CD2-CB 4.22Å; L52-K57 HydrophobicContact CD2-CD 3.9Å; L52-K57 WeakPolarHBondContact O-CA 3.49Å; L52-K57 PolarHBondContact O-N 2.89Å; L52-E60 HydrophobicContact CD1-CB 4.22Å; L52-A61 HydrophobicContact CB-CB 3.83Å; L52-V64 HydrophobicContact CD1-CG2 3.87Å
53A88.8Confident90Very high0 Ų035.9 Ų35.90%020%0.2CC..Hα-helixtrans-64-52.217900000111.4A49 D50 A51 G55 G56 A61 Y85A49-A53 WeakPolarHBondContact O-CB 3.02Å; A49-A53 PolarHBondContact O-N 3.49Å; D50-A53 PolarHBondContact O-N 3.03Å; D50-A53 VanDerWaalsContact O-N 3.15Å; A51-A53 PolarHBondContact O-N 3.32Å; A53-G55 VanDerWaalsContact C-N 3.28Å; A53-G55 PolarHBondContact O-N 2.86Å; A53-G56 PolarHBondContact O-N 3.41Å; A53-A61 HydrophobicContact CB-CB 3.79Å; A53-Y85 HydrophobicContact CB-CD1 4.24Å; A53-Y85 HydrophobicContact CB-CD2 4.48Å; A53-Y85 HydrophobicContact CB-CE1 4.5Å; A53-Y85 HydrophobicContact CB-CG 4.25Å; A53-Y85 WeakPolarHBondContact O-CE2 3.41Å; A53-Y85 PolarHBondContact O-OH 3.4Å
54F89.3Confident90Very high64 Ų6432.2 Ų32.228%0.28118%0.184SC..Hα-helixtrans-65.6-30.1178.2-81.3-90.2000112.8F16 F21 D50 G56 N81 Y85F16-F54 HydrophobicContact CE2-CD2 4.24Å; F16-F54 AromaticContact CZ-CD2 3.83Å; F16-F54 HydrophobicContact CZ-CD2 3.83Å; F16-F54 HydrophobicContact CZ-CE2 4.17Å; F16-F54 HydrophobicContact CZ-CG 4.27Å; F21-F54 HydrophobicContact CD1-CB 3.63Å; F21-F54 HydrophobicContact CD2-CB 3.95Å; F21-F54 HydrophobicContact CE1-CB 3.6Å; F21-F54 HydrophobicContact CE1-CD1 4.39Å; F21-F54 HydrophobicContact CE1-CG 4.15Å; F21-F54 HydrophobicContact CE2-CB 3.91Å; F21-F54 HydrophobicContact CG-CB 3.82Å; F21-F54 HydrophobicContact CZ-CB 3.75Å; F21-F54 HydrophobicContact CZ-CD1 4.12Å; F21-F54 HydrophobicContact CZ-CG 4.26Å; D50-F54 WeakPolarHBondContact O-CD2 3.29Å; D50-F54 PolarHBondContact O-N 3.44Å; F54-G56 PolarHBondContact O-N 2.77Å; F54-N81 HydrophobicContact CE2-CB 4.29Å; F54-Y85 HydrophobicContact CD1-CD2 4.26Å; F54-Y85 HydrophobicContact CD2-CD2 4.43Å; F54-Y85 HydrophobicContact CE1-CD2 4.45Å; F54-Y85 HydrophobicContact CG-CD2 4.25Å
55G87.4Confident89.9Confident34 Ų3431.6 Ų31.635%0.35118%0.18SC..THydrogen-bonded Turntrans-72.2-0.7168.700000115.2A51 L52 A53 K57A51-G55 PolarHBondContact O-N 3.16Å; L52-G55 CarbonylContact O-C 3.58Å; L52-G55 PolarHBondContact O-N 2.99Å; A53-G55 VanDerWaalsContact C-N 3.28Å; A53-G55 PolarHBondContact O-N 2.86Å; G55-K57 VanDerWaalsContact C-N 3.35Å
56G84.6Confident89.7Confident49 Ų4935 Ų3551%0.50519%0.192SC..THydrogen-bonded Turntrans84.9-1.6177.300000115.4L52 A53 F54 V58L52-G56 PolarHBondContact O-N 2.73Å; A53-G56 PolarHBondContact O-N 3.41Å; F54-G56 PolarHBondContact O-N 2.77Å; G56-V58 PolarHBondContact O-N 2.98Å
57K86.8Confident89.6Confident70 Ų7038 Ų3830%0.30421%0.206SC..  trans-83.356.7177.6-59.7-178.9-172.5168.70110.8E22 L52 G55 A59 E60 A61E22-K57 VanDerWaalsContact OE1-CE 3.29Å; E22-K57 WeakPolarHBondContact OE1-CE 3.45Å; E22-K57 IonicContact OE1-NZ 2.92Å; E22-K57 PolarHBondContact OE1-NZ 3.42Å; L52-K57 HydrophobicContact CB-CB 4.35Å; L52-K57 HydrophobicContact CD2-CB 4.22Å; L52-K57 HydrophobicContact CD2-CD 3.9Å; L52-K57 WeakPolarHBondContact O-CA 3.49Å; L52-K57 PolarHBondContact O-N 2.89Å; G55-K57 VanDerWaalsContact C-N 3.35Å; K57-A59 VanDerWaalsContact C-N 3.34Å; K57-A59 PolarHBondContact O-N 2.98Å; K57-E60 HydrophobicContact CB-CB 4.26Å; K57-E60 HydrophobicContact CB-CG 4.47Å; K57-E60 PolarHBondContact O-N 3.43Å; K57-A61 PolarHBondContact O-N 3.02Å
58V85.5Confident89.4Confident22 Ų2234.2 Ų34.213%0.13319%0.19CC..Hα-helixtrans-59.6-40-169.4-174.20000113.1G56 A61 F62 Y85 L324G56-V58 PolarHBondContact O-N 2.98Å; V58-A61 PolarHBondContact O-N 3.05Å; V58-F62 HydrophobicContact CG1-CD2 3.78Å; V58-F62 HydrophobicContact CG1-CE2 3.83Å; V58-F62 WeakPolarHBondContact O-CD2 3.47Å; V58-F62 PolarHBondContact O-N 3.47Å; V58-Y85 HydrophobicContact CG2-CE1 3.83Å; V58-Y85 WeakPolarHBondContact CG2-OH 3.45Å; V58-L324 HydrophobicContact CG1-CD1 4.3Å; V58-L324 HydrophobicContact CG2-CD1 4.18Å
59A83.8Confident89.3Confident72 Ų7232.8 Ų32.860%0.59519%0.186SC*.Hα-helixtrans-63.9-43.1179.100000112K57 E63K57-A59 VanDerWaalsContact C-N 3.34Å; K57-A59 PolarHBondContact O-N 2.98Å; A59-E63 PolarHBondContact O-N 2.89Å
60E88.2Confident89.1Confident102 Ų10238.1 Ų38.148%0.47721%0.21SC..Hα-helixtrans-65.3-43.2175.2-63.4167.6-135.100110.8L52 K57 F62 E63 V64L52-E60 HydrophobicContact CD1-CB 4.22Å; K57-E60 HydrophobicContact CB-CB 4.26Å; K57-E60 HydrophobicContact CB-CG 4.47Å; K57-E60 PolarHBondContact O-N 3.43Å; E60-F62 PolarHBondContact O-N 2.88Å; E60-E63 PolarHBondContact O-N 3.4Å; E60-V64 WeakPolarHBondContact O-CG2 3.49Å; E60-V64 PolarHBondContact O-N 2.92Å
61A89Confident88.9Confident0 Ų040.7 Ų40.70%022%0.224CC..Hα-helixtrans-57.6-46.7176.800000112.8A49 L52 A53 K57 V58 E63 V64 Y65A49-A61 VanDerWaalsContact O-CB 3.27Å; A49-A61 WeakPolarHBondContact O-CB 3.48Å; L52-A61 HydrophobicContact CB-CB 3.83Å; A53-A61 HydrophobicContact CB-CB 3.79Å; K57-A61 PolarHBondContact O-N 3.02Å; V58-A61 PolarHBondContact O-N 3.05Å; A61-E63 VanDerWaalsContact C-N 3.34Å; A61-E63 PolarHBondContact O-N 3.25Å; A61-V64 PolarHBondContact O-N 3.36Å; A61-Y65 WeakPolarHBondContact O-CB 3.31Å; A61-Y65 WeakPolarHBondContact O-CD2 3.49Å; A61-Y65 PolarHBondContact O-N 2.99Å
62F88.2Confident88.7Confident13 Ų1344 Ų446%0.05724%0.241CC..Hα-helixtrans-63.2-38.6177.6-94.4-103.3000112.4V58 E60 Y65 R66 L82 L86 L302 F305 L306V58-F62 HydrophobicContact CG1-CD2 3.78Å; V58-F62 HydrophobicContact CG1-CE2 3.83Å; V58-F62 WeakPolarHBondContact O-CD2 3.47Å; V58-F62 PolarHBondContact O-N 3.47Å; E60-F62 PolarHBondContact O-N 2.88Å; F62-Y65 WeakPolarHBondContact O-CB 3.43Å; F62-Y65 PolarHBondContact O-N 3.43Å; F62-R66 WeakPolarHBondContact O-CB 3.43Å; F62-R66 PolarHBondContact O-N 3.2Å; F62-L82 HydrophobicContact CE2-CD1 3.9Å; F62-L82 HydrophobicContact CZ-CD1 4.32Å; F62-L82 HydrophobicContact CZ-CD2 4.45Å; F62-L86 HydrophobicContact CE2-CD2 4.34Å; F62-L86 HydrophobicContact CZ-CD1 4.2Å; F62-L86 HydrophobicContact CZ-CD2 4.42Å; F62-L302 HydrophobicContact CE1-CD2 4.46Å; F62-F305 HydrophobicContact CD1-CE1 4.33Å; F62-F305 HydrophobicContact CE1-CE1 4.16Å; F62-L306 HydrophobicContact CD1-CD2 3.87Å; F62-L306 HydrophobicContact CE1-CD2 4.36Å
63E87.7Confident88.5Confident73 Ų7349.2 Ų49.234%0.34126%0.264SS..Hα-helixtrans-66.9-41.2176.4176.553.2-15600111.8A59 E60 A61 Y65 R66 Q67A59-E63 PolarHBondContact O-N 2.89Å; E60-E63 PolarHBondContact O-N 3.4Å; A61-E63 VanDerWaalsContact C-N 3.34Å; A61-E63 PolarHBondContact O-N 3.25Å; E63-Y65 VanDerWaalsContact C-N 3.34Å; E63-Y65 PolarHBondContact O-N 3.19Å; E63-R66 WeakPolarHBondContact O-CB 3.27Å; E63-R66 PolarHBondContact O-N 3.23Å; E63-R66 IonicContact OE1-CZ 3.58Å; E63-R66 IonicContact OE1-NE 3.14Å; E63-R66 IonicContact OE1-NH2 3.14Å; E63-R66 PolarHBondContact OE1-NH2 2.83Å; E63-R66 IonicContact OE2-CZ 3.17Å; E63-R66 IonicContact OE2-NE 2.68Å; E63-R66 PolarHBondContact OE2-NE 2.91Å; E63-R66 IonicContact OE2-NH2 3.5Å; E63-Q67 VanDerWaalsContact O-CG 3.31Å; E63-Q67 WeakPolarHBondContact O-CG 3.3Å; E63-Q67 PolarHBondContact O-N 3.4Å; E63-Q67 PolarHBondContact OE1-NE2 2.83Å
64V91.2Very high88.6Confident8 Ų849.6 Ų49.65%0.04827%0.265CS..Hα-helixtrans-65.7-37.6174.2-179.30000111.4M45 A49 L52 E60 A61 Q67 A68M45-V64 HydrophobicContact CB-CG1 4.23Å; M45-V64 VanDerWaalsContact O-CG1 3.32Å; M45-V64 WeakPolarHBondContact O-CG1 3.32Å; A49-V64 HydrophobicContact CB-CB 3.96Å; A49-V64 HydrophobicContact CB-CG1 3.88Å; L52-V64 HydrophobicContact CD1-CG2 3.87Å; E60-V64 WeakPolarHBondContact O-CG2 3.49Å; E60-V64 PolarHBondContact O-N 2.92Å; A61-V64 PolarHBondContact O-N 3.36Å; V64-Q67 PolarHBondContact O-N 3.47Å; V64-A68 WeakPolarHBondContact O-CB 3.33Å; V64-A68 PolarHBondContact O-N 3.32Å
65Y91.3Very high88.7Confident0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-63.1-39.2171.7-94.2-60.4000113V46 A49 D50 A61 F62 E63 A68 S69 L74 H78 L79 L82 L306V46-Y65 HydrophobicContact CG1-CE1 4.14Å; V46-Y65 HydrophobicContact CG2-CE1 4.34Å; A49-Y65 HydrophobicContact CB-CD1 4.26Å; A49-Y65 HydrophobicContact CB-CD2 3.46Å; A49-Y65 VanDerWaalsContact CB-CD2 3.46Å; A49-Y65 HydrophobicContact CB-CE1 4.37Å; A49-Y65 HydrophobicContact CB-CE2 3.57Å; A49-Y65 HydrophobicContact CB-CG 3.83Å; D50-Y65 PolarHBondContact OD1-OH 3.47Å; A61-Y65 WeakPolarHBondContact O-CB 3.31Å; A61-Y65 WeakPolarHBondContact O-CD2 3.49Å; A61-Y65 PolarHBondContact O-N 2.99Å; F62-Y65 WeakPolarHBondContact O-CB 3.43Å; F62-Y65 PolarHBondContact O-N 3.43Å; E63-Y65 VanDerWaalsContact C-N 3.34Å; E63-Y65 PolarHBondContact O-N 3.19Å; Y65-A68 WeakPolarHBondContact O-CB 3.34Å; Y65-A68 PolarHBondContact O-N 2.87Å; Y65-S69 PolarHBondContact O-N 3.35Å; Y65-S69 VanDerWaalsContact O-N 3.09Å; Y65-L74 HydrophobicContact CD1-CD1 3.96Å; Y65-H78 WeakPolarHBondContact CE1-O 3.29Å; Y65-H78 PolarHBondContact OH-O 3.4Å; Y65-L79 HydrophobicContact CD1-CD2 4.31Å; Y65-L79 HydrophobicContact CE1-CD2 4.12Å; Y65-L82 HydrophobicContact CD2-CD1 4.47Å; Y65-L82 HydrophobicContact CD2-CD2 3.91Å; Y65-L82 HydrophobicContact CE2-CB 3.85Å; Y65-L82 HydrophobicContact CE2-CD1 4.08Å; Y65-L82 HydrophobicContact CE2-CD2 3.83Å; Y65-L82 HydrophobicContact CE2-CG 4.13Å; Y65-L82 HydrophobicContact CG-CD2 4.43Å; Y65-L306 HydrophobicContact CG-CD1 4.39Å
66R88.8Confident88.9Confident84 Ų8453.9 Ų53.932%0.31728%0.283SS..Hα-helixtrans-64-48.3175.8-167-165.666.265.48.7110.8F62 E63 A68 S69 E70F62-R66 WeakPolarHBondContact O-CB 3.43Å; F62-R66 PolarHBondContact O-N 3.2Å; E63-R66 WeakPolarHBondContact O-CB 3.27Å; E63-R66 PolarHBondContact O-N 3.23Å; E63-R66 IonicContact OE1-CZ 3.58Å; E63-R66 IonicContact OE1-NE 3.14Å; E63-R66 IonicContact OE1-NH2 3.14Å; E63-R66 PolarHBondContact OE1-NH2 2.83Å; E63-R66 IonicContact OE2-CZ 3.17Å; E63-R66 IonicContact OE2-NE 2.68Å; E63-R66 PolarHBondContact OE2-NE 2.91Å; E63-R66 IonicContact OE2-NH2 3.5Å; R66-A68 VanDerWaalsContact C-N 3.28Å; R66-A68 PolarHBondContact O-N 3.48Å; R66-S69 WeakPolarHBondContact O-CB 3.45Å; R66-S69 PolarHBondContact O-N 3.19Å; R66-S69 VanDerWaalsContact O-N 3.08Å; R66-S69 PolarHBondContact O-OG 3.29Å; R66-E70 IonicContact CZ-OE1 3.79Å; R66-E70 IonicContact NH1-OE1 3.87Å; R66-E70 PolarHBondContact NH1-OE1 3Å; R66-E70 IonicContact NH2-OE1 2.7Å; R66-E70 PolarHBondContact O-N 3.13Å
67Q89.9Confident89.2Confident70 Ų7055.3 Ų55.333%0.32729%0.29SS..Hα-helixtrans-61.9-34.1174.6-65.3170.410.800112.3M45 E63 V64 S69 E70M45-Q67 HydrophobicContact CE-CB 3.42Å; M45-Q67 VanDerWaalsContact CE-CB 3.42Å; E63-Q67 VanDerWaalsContact O-CG 3.31Å; E63-Q67 WeakPolarHBondContact O-CG 3.3Å; E63-Q67 PolarHBondContact O-N 3.4Å; E63-Q67 PolarHBondContact OE1-NE2 2.83Å; V64-Q67 PolarHBondContact O-N 3.47Å; Q67-S69 VanDerWaalsContact C-N 3.32Å; Q67-S69 PolarHBondContact O-N 3.33Å; Q67-E70 WeakPolarHBondContact O-CB 3.5Å; Q67-E70 PolarHBondContact O-N 2.83Å
68A90.9Very high89.5Confident0 Ų052.7 Ų52.70%028%0.279CS..Hα-helixtrans-64.9-36.6174.100000111.8L42 M45 V46 V64 Y65 R66 E70 I71 L74L42-A68 HydrophobicContact CD1-CB 3.87Å; L42-A68 VanDerWaalsContact CD1-O 3.31Å; L42-A68 WeakPolarHBondContact CD1-O 3.44Å; M45-A68 HydrophobicContact CB-CB 3.97Å; M45-A68 HydrophobicContact CE-CB 4.31Å; V46-A68 HydrophobicContact CG2-CB 4.45Å; V64-A68 WeakPolarHBondContact O-CB 3.33Å; V64-A68 PolarHBondContact O-N 3.32Å; Y65-A68 WeakPolarHBondContact O-CB 3.34Å; Y65-A68 PolarHBondContact O-N 2.87Å; R66-A68 VanDerWaalsContact C-N 3.28Å; R66-A68 PolarHBondContact O-N 3.48Å; A68-E70 PolarHBondContact O-N 2.94Å; A68-I71 PolarHBondContact O-N 3.03Å; A68-I71 VanDerWaalsContact O-N 3.16Å; A68-L74 HydrophobicContact CB-CD2 4.11Å
69S90.7Very high89.9Confident10 Ų1051.6 Ų51.67%0.0727%0.272CS..Hα-helixtrans-67.7-20.5177.686.20000114.3Y65 R66 Q67 I71 L306 P308Y65-S69 PolarHBondContact O-N 3.35Å; Y65-S69 VanDerWaalsContact O-N 3.09Å; R66-S69 WeakPolarHBondContact O-CB 3.45Å; R66-S69 PolarHBondContact O-N 3.19Å; R66-S69 VanDerWaalsContact O-N 3.08Å; R66-S69 PolarHBondContact O-OG 3.29Å; Q67-S69 VanDerWaalsContact C-N 3.32Å; Q67-S69 PolarHBondContact O-N 3.33Å; S69-I71 PolarHBondContact O-N 3.49Å; S69-L306 WeakPolarHBondContact CB-O 3.45Å; S69-L306 PolarHBondContact OG-O 3.49Å; S69-P308 WeakPolarHBondContact OG-CD 3.29Å
70E89.4Confident90.2Very high111 Ų11150 Ų5052%0.51926%0.256SS..THydrogen-bonded Turntrans-70.2-19.9174.4-63.6171.9-178.900111.9R66 Q67 A68 P308R66-E70 IonicContact CZ-OE1 3.79Å; R66-E70 IonicContact NH1-OE1 3.87Å; R66-E70 PolarHBondContact NH1-OE1 3Å; R66-E70 IonicContact NH2-OE1 2.7Å; R66-E70 PolarHBondContact O-N 3.13Å; Q67-E70 WeakPolarHBondContact O-CB 3.5Å; Q67-E70 PolarHBondContact O-N 2.83Å; A68-E70 PolarHBondContact O-N 2.94Å; E70-P308 HydrophobicContact CB-CG 4.47Å; E70-P308 HydrophobicContact CG-CB 4.44Å; E70-P308 HydrophobicContact CG-CG 3.87Å
71I89.7Confident90.4Very high62 Ų6248.5 Ų48.532%0.31825%0.252SS..THydrogen-bonded Turntrans-86.1-50.4178.5-56.8179.4000111.6P38 R41 L42 M45 A68 S69P38-I71 HydrophobicContact CB-CG2 3.88Å; R41-I71 HydrophobicContact CB-CD1 4.47Å; R41-I71 HydrophobicContact CG-CD1 4.01Å; L42-I71 HydrophobicContact CB-CG2 4.3Å; M45-I71 HydrophobicContact SD-CD1 3.56Å; M45-I71 VanDerWaalsContact SD-CD1 3.56Å; A68-I71 PolarHBondContact O-N 3.03Å; A68-I71 VanDerWaalsContact O-N 3.16Å; S69-I71 PolarHBondContact O-N 3.49Å
72D88.7Confident90.5Very high68 Ų6848.5 Ų48.536%0.36425%0.252SS..SBendtrans-155.3156.1175.1-176.424.7000109.6L42 L74 K75L42-D72 HydrophobicContact CD2-CB 3.8Å; D72-L74 PolarHBondContact O-N 3.29Å; D72-K75 IonicContact OD2-NZ 3.53Å; D72-K75 PolarHBondContact OD2-NZ 3.31Å
73K88.8Confident90.6Very high122 Ų12248 Ų4853%0.5325%0.25SS..PPolyproline II helixtrans-62.2125.1178.6-176.2164.7-173.4162.40110.3K75 S303 D304K73-K75 PolarHBondContact O-N 2.91Å; K73-S303 WeakPolarHBondContact CE-OG 2.86Å; K73-S303 WeakPolarHBondContact CG-OG 3.47Å; K73-D304 IonicContact NZ-OD1 2.66Å; K73-D304 PolarHBondContact NZ-OD1 3.18Å
74L90.9Very high90.7Very high7 Ų746.1 Ų46.14%0.03725%0.25CS..PPolyproline II helixtrans-61.3121.9-177.4-61.4-178.5000111.7L42 V46 Y65 A68 D72 H78 L79 S303 L306L42-L74 HydrophobicContact CD1-CD2 4Å; V46-L74 HydrophobicContact CG2-CD2 4.38Å; Y65-L74 HydrophobicContact CD1-CD1 3.96Å; A68-L74 HydrophobicContact CB-CD2 4.11Å; D72-L74 PolarHBondContact O-N 3.29Å; L74-H78 HydrophobicContact CD2-CB 4.43Å; L74-L79 HydrophobicContact CB-CD1 4.17Å; L74-L79 HydrophobicContact CB-CD2 4.38Å; L74-L79 HydrophobicContact CB-CG 4.19Å; L74-L79 HydrophobicContact CD1-CD2 3.91Å; L74-S303 PolarHBondContact O-OG 3.42Å; L74-L306 HydrophobicContact CD1-CB 4.18Å; L74-L306 HydrophobicContact CD1-CD1 3.8Å
75K91.7Very high90.6Very high106 Ų10647 Ų4746%0.46125%0.252SS..PPolyproline II helixtrans-84.5158.3-179.2-70.1156.5-178.2137.90110.4D72 K73 A77 H78 L79D72-K75 IonicContact OD2-NZ 3.53Å; D72-K75 PolarHBondContact OD2-NZ 3.31Å; K73-K75 PolarHBondContact O-N 2.91Å; K75-A77 PolarHBondContact O-N 3.34Å; K75-H78 PolarHBondContact N-ND1 2.8Å; K75-H78 WeakPolarHBondContact O-CB 3.49Å; K75-H78 PolarHBondContact O-N 2.9Å; K75-L79 PolarHBondContact O-N 3.46Å
76P91Very high90.5Very high82 Ų8247.2 Ų47.253%0.53225%0.254SS..Hα-helixtrans-49.9-28173.8-32.938.7000115.5S80 H299P76-S80 PolarHBondContact O-N 3.35Å; P76-H299 HydrophobicContact CB-CB 4.41Å; P76-H299 PolarHBondContact O-CE1 3.33Å
77A91.2Very high90.5Very high80 Ų8043.5 Ų43.566%0.66124%0.241SC*.Hα-helixtrans-65.8-44.5173.900000112.1K75 L79 S80K75-A77 PolarHBondContact O-N 3.34Å; A77-L79 VanDerWaalsContact C-N 3.26Å; A77-L79 PolarHBondContact O-N 3.42Å; A77-S80 PolarHBondContact O-N 2.92Å
78H93.3Very high90.4Very high14 Ų1443 Ų437%0.06524%0.241CC..Hα-helixtrans-67.7-27.1-177.5-49.3169.7000112.4E43 V46 Y65 L74 K75E43-H78 IonicContact OE1-NE2 2.8Å; V46-H78 HydrophobicContact CG1-CB 3.95Å; V46-H78 WeakPolarHBondContact CG1-O 3.44Å; V46-H78 HydrophobicContact CG2-CB 3.86Å; Y65-H78 WeakPolarHBondContact CE1-O 3.29Å; Y65-H78 PolarHBondContact OH-O 3.4Å; L74-H78 HydrophobicContact CD2-CB 4.43Å; K75-H78 PolarHBondContact N-ND1 2.8Å; K75-H78 WeakPolarHBondContact O-CB 3.49Å; K75-H78 PolarHBondContact O-N 2.9Å
79L92.8Very high90.1Very high0 Ų043.7 Ų43.70%025%0.245CC..Hα-helixtrans-99.1-5.3-175.3-63.9174.2000113.9Y65 L74 K75 A77 N81 L82 V83 H299 L302 L306Y65-L79 HydrophobicContact CD1-CD2 4.31Å; Y65-L79 HydrophobicContact CE1-CD2 4.12Å; L74-L79 HydrophobicContact CB-CD1 4.17Å; L74-L79 HydrophobicContact CB-CD2 4.38Å; L74-L79 HydrophobicContact CB-CG 4.19Å; L74-L79 HydrophobicContact CD1-CD2 3.91Å; K75-L79 PolarHBondContact O-N 3.46Å; A77-L79 VanDerWaalsContact C-N 3.26Å; A77-L79 PolarHBondContact O-N 3.42Å; L79-N81 VanDerWaalsContact C-N 3.31Å; L79-N81 PolarHBondContact O-N 2.84Å; L79-L82 HydrophobicContact CD2-CD2 4.15Å; L79-L82 PolarHBondContact O-N 3.38Å; L79-V83 PolarHBondContact O-N 2.87Å; L79-H299 VanDerWaalsContact CD1-O 3.29Å; L79-H299 WeakPolarHBondContact CD1-O 3.4Å; L79-L302 HydrophobicContact CD1-CB 4.05Å; L79-L306 HydrophobicContact CD2-CD1 3.71Å
80S91.9Very high89.8Confident37 Ų3743.6 Ų43.626%0.25924%0.244SC..Hα-helixtrans-65-35.5-174.6-178.50000112.8P76 A77 G84 K295 H299P76-S80 PolarHBondContact O-N 3.35Å; A77-S80 PolarHBondContact O-N 2.92Å; S80-G84 PolarHBondContact O-N 3.12Å; S80-G84 VanDerWaalsContact O-N 3.09Å; S80-K295 PolarHBondContact OG-NZ 3.43Å; S80-H299 WeakPolarHBondContact CA-NE2 3.46Å
81N91.1Very high89.5Confident71 Ų7141.8 Ų41.838%0.3823%0.232SC..Hα-helixtrans-73.8-44.6177.3-75.7-15.2000111.4D50 F54 L79 V83 G84 Y85D50-N81 WeakPolarHBondContact OD1-CB 3.24Å; D50-N81 VanDerWaalsContact OD2-CB 3.29Å; D50-N81 WeakPolarHBondContact OD2-CB 3.46Å; D50-N81 PolarHBondContact OD2-ND2 2.95Å; F54-N81 HydrophobicContact CE2-CB 4.29Å; L79-N81 VanDerWaalsContact C-N 3.31Å; L79-N81 PolarHBondContact O-N 2.84Å; N81-V83 PolarHBondContact O-N 2.93Å; N81-G84 PolarHBondContact O-N 3.35Å; N81-Y85 WeakPolarHBondContact O-CB 3.26Å; N81-Y85 PolarHBondContact O-N 3.38Å
82L90.8Very high89Confident0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-57.4-45.9172.1-177.761.9000112.9F62 Y65 L79 G84 Y85 L86 L302 L306F62-L82 HydrophobicContact CE2-CD1 3.9Å; F62-L82 HydrophobicContact CZ-CD1 4.32Å; F62-L82 HydrophobicContact CZ-CD2 4.45Å; Y65-L82 HydrophobicContact CD2-CD1 4.47Å; Y65-L82 HydrophobicContact CD2-CD2 3.91Å; Y65-L82 HydrophobicContact CE2-CB 3.85Å; Y65-L82 HydrophobicContact CE2-CD1 4.08Å; Y65-L82 HydrophobicContact CE2-CD2 3.83Å; Y65-L82 HydrophobicContact CE2-CG 4.13Å; Y65-L82 HydrophobicContact CG-CD2 4.43Å; L79-L82 HydrophobicContact CD2-CD2 4.15Å; L79-L82 PolarHBondContact O-N 3.38Å; L82-G84 VanDerWaalsContact C-N 3.34Å; L82-G84 PolarHBondContact O-N 3.14Å; L82-Y85 PolarHBondContact O-N 2.92Å; L82-L86 HydrophobicContact CD1-CD1 4.07Å; L82-L86 HydrophobicContact CD1-CG 4.15Å; L82-L86 HydrophobicContact CG-CD1 3.96Å; L82-L86 HydrophobicContact CG-CG 4.44Å; L82-L86 WeakPolarHBondContact O-CB 3.31Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.19Å; L82-L86 PolarHBondContact O-N 3.19Å; L82-L302 HydrophobicContact CD2-CD1 4.44Å; L82-L302 HydrophobicContact CD2-CD2 4.25Å; L82-L306 HydrophobicContact CD2-CD1 4.18Å
83V90.8Very high88Confident4 Ų447.1 Ų47.12%0.02425%0.247CC..Hα-helixtrans-63-40.6175.6165.80000111.7L79 N81 S87 L282 L285 A298 H299 L302L79-V83 PolarHBondContact O-N 2.87Å; N81-V83 PolarHBondContact O-N 2.93Å; V83-S87 VanDerWaalsContact O-CB 3.31Å; V83-S87 WeakPolarHBondContact O-CB 2.93Å; V83-S87 PolarHBondContact O-N 3.15Å; V83-S87 PolarHBondContact O-OG 3.39Å; V83-L282 HydrophobicContact CG1-CD2 4.29Å; V83-L285 HydrophobicContact CG1-CD1 3.59Å; V83-A298 HydrophobicContact CG1-CB 4.49Å; V83-A298 HydrophobicContact CG2-CB 4.18Å; V83-H299 VanDerWaalsContact CG2-CD2 3.49Å; V83-H299 WeakPolarHBondContact CG2-CD2 2.87Å; V83-L302 HydrophobicContact CG2-CD1 3.36Å
84G89.2Confident86.5Confident33 Ų3344 Ų4434%0.3424%0.236SC..Hα-helixtrans-59-51.6173.500000111.6S80 N81 L82 L86 S87 D88S80-G84 PolarHBondContact O-N 3.12Å; S80-G84 VanDerWaalsContact O-N 3.09Å; N81-G84 PolarHBondContact O-N 3.35Å; L82-G84 VanDerWaalsContact C-N 3.34Å; L82-G84 PolarHBondContact O-N 3.14Å; G84-L86 PolarHBondContact O-N 3.38Å; G84-S87 PolarHBondContact O-N 3.42Å; G84-D88 WeakPolarHBondContact O-CB 3.35Å; G84-D88 PolarHBondContact O-N 3.32Å
85Y90.1Very high84.7Confident25 Ų2551.5 Ų51.510%0.09826%0.264CS..Hα-helixtrans-56.5-48.3177.6173.7-93.8000112.7A53 F54 V58 N81 L82 S89A53-Y85 HydrophobicContact CB-CD1 4.24Å; A53-Y85 HydrophobicContact CB-CD2 4.48Å; A53-Y85 HydrophobicContact CB-CE1 4.5Å; A53-Y85 HydrophobicContact CB-CG 4.25Å; A53-Y85 WeakPolarHBondContact O-CE2 3.41Å; A53-Y85 PolarHBondContact O-OH 3.4Å; F54-Y85 HydrophobicContact CD1-CD2 4.26Å; F54-Y85 HydrophobicContact CD2-CD2 4.43Å; F54-Y85 HydrophobicContact CE1-CD2 4.45Å; F54-Y85 HydrophobicContact CG-CD2 4.25Å; V58-Y85 HydrophobicContact CG2-CE1 3.83Å; V58-Y85 WeakPolarHBondContact CG2-OH 3.45Å; N81-Y85 WeakPolarHBondContact O-CB 3.26Å; N81-Y85 PolarHBondContact O-N 3.38Å; L82-Y85 PolarHBondContact O-N 2.92Å; Y85-S89 VanDerWaalsContact O-CB 3.3Å; Y85-S89 WeakPolarHBondContact O-CB 3.39Å; Y85-S89 PolarHBondContact O-N 3.08Å; Y85-S89 PolarHBondContact O-OG 3.32Å
86L89.2Confident82.4Confident6 Ų650 Ų503%0.03128%0.278CS..Hα-helixtrans-66-44.6-179.2-70.1171.1000111.6F62 L82 G84 S89 I90 L282 L302F62-L86 HydrophobicContact CE2-CD2 4.34Å; F62-L86 HydrophobicContact CZ-CD1 4.2Å; F62-L86 HydrophobicContact CZ-CD2 4.42Å; L82-L86 HydrophobicContact CD1-CD1 4.07Å; L82-L86 HydrophobicContact CD1-CG 4.15Å; L82-L86 HydrophobicContact CG-CD1 3.96Å; L82-L86 HydrophobicContact CG-CG 4.44Å; L82-L86 WeakPolarHBondContact O-CB 3.31Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.19Å; L82-L86 PolarHBondContact O-N 3.19Å; G84-L86 PolarHBondContact O-N 3.38Å; L86-S89 WeakPolarHBondContact O-CB 3.48Å; L86-S89 PolarHBondContact O-N 2.86Å; L86-I90 WeakPolarHBondContact O-CG1 3.45Å; L86-I90 PolarHBondContact O-N 3.38Å; L86-I90 VanDerWaalsContact O-N 3.11Å; L86-L282 HydrophobicContact CB-CD1 4.08Å; L86-L282 HydrophobicContact CB-CD2 3.9Å; L86-L282 HydrophobicContact CD1-CD1 4.09Å; L86-L282 HydrophobicContact CD1-CD2 4.46Å; L86-L302 HydrophobicContact CD1-CD1 4.25Å; L86-L302 HydrophobicContact CD1-CD2 4.33Å
87S89Confident80Confident6 Ų648.2 Ų48.24%0.04228%0.275CS..Hα-helixtrans-67-37.6179.3-53.90000112.3V83 G84 R91 L285 S286V83-S87 VanDerWaalsContact O-CB 3.31Å; V83-S87 WeakPolarHBondContact O-CB 2.93Å; V83-S87 PolarHBondContact O-N 3.15Å; V83-S87 PolarHBondContact O-OG 3.39Å; G84-S87 PolarHBondContact O-N 3.42Å; S87-R91 PolarHBondContact O-N 3.43Å; S87-R91 VanDerWaalsContact O-N 3.09Å; S87-L285 WeakPolarHBondContact OG-CB 3.06Å; S87-S286 WeakPolarHBondContact O-CB 3.4Å
88D86.5Confident77.2Confident60 Ų6050.3 Ų50.332%0.32129%0.285SS..Hα-helixtrans-75.3-28.4174.4-93.72.7000112.9G84 R91 R92G84-D88 WeakPolarHBondContact O-CB 3.35Å; G84-D88 PolarHBondContact O-N 3.32Å; D88-R91 WeakPolarHBondContact O-CB 3.45Å; D88-R91 PolarHBondContact O-N 2.94Å; D88-R91 IonicContact OD1-CZ 3.14Å; D88-R91 IonicContact OD1-NE 3.44Å; D88-R91 PolarHBondContact OD1-NE 3.24Å; D88-R91 IonicContact OD1-NH2 3.83Å; D88-R91 PolarHBondContact OD1-NH2 3.28Å; D88-R92 WeakPolarHBondContact O-CB 3.37Å; D88-R92 VanDerWaalsContact O-CG 3.22Å; D88-R92 WeakPolarHBondContact O-CG 2.96Å; D88-R92 PolarHBondContact O-N 3.34Å
89S85.9Confident74.7Confident13 Ų1356.5 Ų56.59%0.09131%0.314CS..Hα-helixtrans-62.4-44.5171-65.30000111Y85 L86 R92 Q93Y85-S89 VanDerWaalsContact O-CB 3.3Å; Y85-S89 WeakPolarHBondContact O-CB 3.39Å; Y85-S89 PolarHBondContact O-N 3.08Å; Y85-S89 PolarHBondContact O-OG 3.32Å; L86-S89 WeakPolarHBondContact O-CB 3.48Å; L86-S89 PolarHBondContact O-N 2.86Å; S89-R92 PolarHBondContact O-N 3Å; S89-Q93 WeakPolarHBondContact O-CG 3.1Å; S89-Q93 PolarHBondContact O-N 3.1Å; S89-Q93 VanDerWaalsContact O-N 3.11Å
90I84.5Confident71.8Confident9 Ų959.9 Ų59.95%0.04635%0.349CS..Hα-helixtrans-57.7-50.1170.9-64.5166.7000110.2L86 R92 Q93 D94 L282 I283L86-I90 WeakPolarHBondContact O-CG1 3.45Å; L86-I90 PolarHBondContact O-N 3.38Å; L86-I90 VanDerWaalsContact O-N 3.11Å; I90-R92 VanDerWaalsContact C-N 3.26Å; I90-R92 PolarHBondContact O-N 3.03Å; I90-Q93 PolarHBondContact O-N 2.98Å; I90-D94 PolarHBondContact O-N 2.76Å; I90-L282 HydrophobicContact CD1-CB 3.63Å; I90-I283 HydrophobicContact CD1-CG1 4.3Å; I90-I283 HydrophobicContact CG2-CG1 4.39Å
91R82.8Confident69Low73 Ų7363.5 Ų63.528%0.27537%0.373SS..Hα-helixtrans-56.4-36.7178.3-168.7-160.8-57.1-66.8-10.7113.2S87 D88 S286S87-R91 PolarHBondContact O-N 3.43Å; S87-R91 VanDerWaalsContact O-N 3.09Å; D88-R91 WeakPolarHBondContact O-CB 3.45Å; D88-R91 PolarHBondContact O-N 2.94Å; D88-R91 IonicContact OD1-CZ 3.14Å; D88-R91 IonicContact OD1-NE 3.44Å; D88-R91 PolarHBondContact OD1-NE 3.24Å; D88-R91 IonicContact OD1-NH2 3.83Å; D88-R91 PolarHBondContact OD1-NH2 3.28Å; R91-S286 PolarHBondContact NH1-O 3.44Å; R91-S286 PolarHBondContact NH2-O 2.85Å; R91-S286 VanDerWaalsContact NH2-O 3.12Å
92R78.1Confident66.3Low159 Ų15967 Ų6760%0.638%0.382SS*.Hα-helixtrans-73.8-37.6-180-73169.4-166.1-164.85.7111.9D88 S89 I90 D94 R95D88-R92 WeakPolarHBondContact O-CB 3.37Å; D88-R92 VanDerWaalsContact O-CG 3.22Å; D88-R92 WeakPolarHBondContact O-CG 2.96Å; D88-R92 PolarHBondContact O-N 3.34Å; S89-R92 PolarHBondContact O-N 3Å; I90-R92 VanDerWaalsContact C-N 3.26Å; I90-R92 PolarHBondContact O-N 3.03Å; R92-D94 VanDerWaalsContact C-N 3.34Å; R92-D94 PolarHBondContact O-N 3.48Å; R92-R95 PolarHBondContact O-N 3.32Å; R92-R95 VanDerWaalsContact O-N 3.15Å
93Q67.8Low63.8Low82 Ų8272.6 Ų72.638%0.38340%0.403SS..Hα-helixtrans-61.9-39.3-179.3-73.3179.61.800112.7S89 I90 R95 G96 L324S89-Q93 WeakPolarHBondContact O-CG 3.1Å; S89-Q93 PolarHBondContact O-N 3.1Å; S89-Q93 VanDerWaalsContact O-N 3.11Å; I90-Q93 PolarHBondContact O-N 2.98Å; Q93-R95 VanDerWaalsContact C-N 3.3Å; Q93-R95 PolarHBondContact O-N 2.95Å; Q93-G96 PolarHBondContact O-N 3.06Å; Q93-L324 PolarHBondContact NE2-O 2.91Å; Q93-L324 PolarHBondContact OE1-O 2.88Å
94D58.5Low61.3Low58 Ų5879.9 Ų79.931%0.3143%0.43SS..Hα-helixtrans-70.3-23.5177-69.6-28.6000113.7I90 R92 G96 W103I90-D94 PolarHBondContact O-N 2.76Å; R92-D94 VanDerWaalsContact C-N 3.34Å; R92-D94 PolarHBondContact O-N 3.48Å; D94-G96 VanDerWaalsContact C-N 3.3Å; D94-G96 PolarHBondContact O-N 2.85Å; D94-W103 HydrophobicContact CB-CH2 3.55Å; D94-W103 HydrophobicContact CB-CZ2 3.69Å
95R53.6Low58.8Low163 Ų16382.9 Ų82.962%0.61544%0.442SS*.THydrogen-bonded Turntrans-78.7-9.6178-74.2-173.5171.7-150.1-0.1114.2R92 Q93 G97 W103R92-R95 PolarHBondContact O-N 3.32Å; R92-R95 VanDerWaalsContact O-N 3.15Å; Q93-R95 VanDerWaalsContact C-N 3.3Å; Q93-R95 PolarHBondContact O-N 2.95Å; R95-G97 PolarHBondContact O-N 2.87Å; R95-W103 HydrophobicContact CG-CZ2 4.32Å
96G42.7Very low56.7Low74 Ų7482.7 Ų82.776%0.76345%0.447SS*.THydrogen-bonded Turntrans-74.51.517900000115.4Q93 D94Q93-G96 PolarHBondContact O-N 3.06Å; D94-G96 VanDerWaalsContact C-N 3.3Å; D94-G96 PolarHBondContact O-N 2.85Å
97G39.9Very low54Low46 Ų4686.2 Ų86.247%0.47447%0.472SS..SBendtrans-100156.8171.900000112.5R95 H99R95-G97 PolarHBondContact O-N 2.87Å; G97-H99 PolarHBondContact O-N 2.91Å
98S33.9Very low51.3Low124 Ų12488.3 Ų88.387%0.86749%0.494SS*.SBendtrans-70.335.7-172.7-167.40000116.1
99H39.7Very low48.9Very low144 Ų14488 Ų8867%0.66750%0.496SS*.  trans-127.644.1176.8-73.9-56.2000112.4G97 S101G97-H99 PolarHBondContact O-N 2.91Å; H99-S101 PolarHBondContact O-N 3.27Å
100G32.5Very low46.4Very low71 Ų7191.9 Ų91.973%0.73254%0.538SS*.THydrogen-bonded Turntrans-69.969.217300000114
101S32.5Very low44.4Very low112 Ų11293.7 Ų93.778%0.78355%0.552SS**THydrogen-bonded Turntrans-179.9-24.1162.952.30000113.1H99 W103H99-S101 PolarHBondContact O-N 3.27Å; S101-W103 VanDerWaalsContact C-N 3.27Å; S101-W103 PolarHBondContact O-N 3.49Å; S101-W103 VanDerWaalsContact O-N 3.1Å
102R34.4Very low42.8Very low146 Ų14692.1 Ų92.155%0.55156%0.558SS**  trans-84.423.7-166-166.2162.4163.2169.4-8115.6R104 T105 G106R102-R104 PolarHBondContact O-N 3.02Å; R102-T105 WeakPolarHBondContact CG-O 3.36Å; R102-T105 PolarHBondContact NE-O 3.09Å; R102-T105 PolarHBondContact O-N 3.19Å; R102-G106 PolarHBondContact NE-O 2.77Å; R102-G106 PolarHBondContact NH2-O 3Å
103W37.7Very low41.8Very low116 Ų11684.9 Ų84.944%0.43953%0.531SS..THydrogen-bonded Turntrans-73.59.4179.1-72.584.5000114.9D94 R95 S101 F256D94-W103 HydrophobicContact CB-CH2 3.55Å; D94-W103 HydrophobicContact CB-CZ2 3.69Å; R95-W103 HydrophobicContact CG-CZ2 4.32Å; S101-W103 VanDerWaalsContact C-N 3.27Å; S101-W103 PolarHBondContact O-N 3.49Å; S101-W103 VanDerWaalsContact O-N 3.1Å; W103-F256 HydrophobicContact CZ3-CD1 4.31Å; W103-F256 HydrophobicContact CZ3-CE1 4.06Å
104R38.9Very low41.7Very low157 Ų15786.6 Ų86.659%0.59254%0.539SS*.THydrogen-bonded Turntrans-129.7-4.2178-75.9-172.9169.9-123.4-16.9114.5R102 K156 E157R102-R104 PolarHBondContact O-N 3.02Å; R104-K156 PolarHBondContact NH1-O 3.12Å; R104-E157 PolarHBondContact NH1-O 3.47Å
105T37.1Very low42.6Very low97 Ų9787.2 Ų87.260%0.59554%0.542SS*.SBendtrans-145.5102-173.636.30000112.6R102R102-T105 WeakPolarHBondContact CG-O 3.36Å; R102-T105 PolarHBondContact NE-O 3.09Å; R102-T105 PolarHBondContact O-N 3.19Å
106G46.2Very low44.2Very low21 Ų2179.5 Ų79.522%0.21651%0.514CS..  trans68.788.315700000117.8R102 E114R102-G106 PolarHBondContact NE-O 2.77Å; R102-G106 PolarHBondContact NH2-O 3Å; G106-E114 VanDerWaalsContact CA-OE1 3.28Å; G106-E114 WeakPolarHBondContact CA-OE1 3.36Å
107C32.1Very low46.5Very low80 Ų8078 Ų7854%0.54149%0.492SS..  trans-167.5128.8143.7150.90000108F256C107-F256 WeakPolarHBondContact O-CD2 3.17Å; C107-F256 VanDerWaalsContact O-CE2 3.29Å; C107-F256 WeakPolarHBondContact O-CE2 3.21Å
108G32.3Very low49Very low49 Ų4975.9 Ų75.951%0.50547%0.469SS..SBendcis-166131.2-12.900000112.8
109S34.9Very low51.6Low53 Ų5371.2 Ų71.237%0.37144%0.441SS..  trans-154.1145.8145.1580000106.6S111S109-S111 PolarHBondContact O-N 3.47Å
110G33.5Very low54Low95 Ų9566 Ų6698%0.97942%0.418SS*.  trans-7448.7-165.800000116.1
111S43.9Very low56.7Low48 Ų4863.1 Ų63.134%0.33639%0.386SS..  trans-97.3125.7171.663.50000110.8S109 F113S109-S111 PolarHBondContact O-N 3.47Å; S111-F113 PolarHBondContact O-N 3.33Å
112G48.1Very low59.4Low39 Ų3960.6 Ų60.640%0.40236%0.363SS..SBendtrans-68.221.3-177.500000116.5K481G112-K481 PolarHBondContact O-NZ 2.9Å; G112-K481 VanDerWaalsContact O-NZ 3.12Å
113F58.1Low62.1Low7 Ų754 Ų543%0.03134%0.339CS..  trans-119.423.6-165.8-52.8-46.4000113.8S111 D115 L116 S117 F184 F187 L404 G405S111-F113 PolarHBondContact O-N 3.33Å; F113-D115 PolarHBondContact O-N 2.81Å; F113-L116 HydrophobicContact CB-CB 4.33Å; F113-L116 HydrophobicContact CD1-CD1 4.09Å; F113-L116 PolarHBondContact O-N 2.85Å; F113-S117 PolarHBondContact O-N 3.39Å; F113-S117 PolarHBondContact O-OG 3.11Å; F113-F184 AromaticContact CD1-CE1 3.99Å; F113-F184 HydrophobicContact CD1-CE1 3.99Å; F113-F184 HydrophobicContact CD1-CZ 4.17Å; F113-F184 AromaticContact CE1-CD1 3.93Å; F113-F184 HydrophobicContact CE1-CD1 3.93Å; F113-F184 AromaticContact CE1-CE1 3.19Å; F113-F184 HydrophobicContact CE1-CE1 3.19Å; F113-F184 AromaticContact CE1-CZ 3.75Å; F113-F184 HydrophobicContact CE1-CZ 3.75Å; F113-F184 AromaticContact CZ-CD1 3.94Å; F113-F184 HydrophobicContact CZ-CD1 3.94Å; F113-F184 AromaticContact CZ-CE1 3.62Å; F113-F184 HydrophobicContact CZ-CE1 3.62Å; F113-F187 HydrophobicContact CD2-CE2 4.22Å; F113-F187 HydrophobicContact CD2-CZ 4.01Å; F113-F187 HydrophobicContact CE2-CD2 4.36Å; F113-F187 HydrophobicContact CE2-CE1 4.46Å; F113-F187 AromaticContact CE2-CE2 3.45Å; F113-F187 HydrophobicContact CE2-CE2 3.45Å; F113-F187 VanDerWaalsContact CE2-CE2 3.45Å; F113-F187 AromaticContact CE2-CZ 3.51Å; F113-F187 HydrophobicContact CE2-CZ 3.51Å; F113-F187 HydrophobicContact CZ-CE2 4.07Å; F113-L404 WeakPolarHBondContact CE2-O 3.31Å; F113-L404 VanDerWaalsContact CZ-O 3.32Å; F113-L404 WeakPolarHBondContact CZ-O 3.25Å; F113-G405 WeakPolarHBondContact CE1-O 3.38Å; F113-G405 VanDerWaalsContact CZ-CA 3.42Å; F113-G405 WeakPolarHBondContact CZ-O 3.49Å
114E65.4Low64.7Low118 Ų11849.5 Ų49.555%0.55132%0.323SS*.G310 helixtrans-52.7-39.5175.6-64.1-163.7151.300110.9G106 L116 S117G106-E114 VanDerWaalsContact CA-OE1 3.28Å; G106-E114 WeakPolarHBondContact CA-OE1 3.36Å; E114-L116 VanDerWaalsContact C-N 3.31Å; E114-L116 PolarHBondContact O-N 2.76Å; E114-S117 WeakPolarHBondContact O-CB 3.44Å; E114-S117 PolarHBondContact O-N 2.92Å
115D76.1Confident67.4Low71 Ų7142.2 Ų42.238%0.3830%0.296SS..G310 helixtrans-64.5-28.1176.9-46.6-57.9000114.2F113 L474 K481F113-D115 PolarHBondContact O-N 2.81Å; D115-L474 WeakPolarHBondContact O-CD1 3.39Å; D115-K481 IonicContact OD2-NZ 3.19Å; D115-K481 PolarHBondContact OD2-NZ 3.46Å
116L89.1Confident70.1Confident2 Ų238.5 Ų38.51%0.0127%0.271CS..G310 helixtrans-98.211.5-174.9-65174.6000113F113 E114 F124 L125 L180 F184 L474 L478F113-L116 HydrophobicContact CB-CB 4.33Å; F113-L116 HydrophobicContact CD1-CD1 4.09Å; F113-L116 PolarHBondContact O-N 2.85Å; E114-L116 VanDerWaalsContact C-N 3.31Å; E114-L116 PolarHBondContact O-N 2.76Å; L116-F124 HydrophobicContact CB-CD2 4.34Å; L116-F124 HydrophobicContact CB-CE2 4.17Å; L116-F124 HydrophobicContact CD1-CE2 4.01Å; L116-L125 WeakPolarHBondContact O-CB 3.44Å; L116-L125 VanDerWaalsContact O-CG 3.3Å; L116-L125 WeakPolarHBondContact O-CG 3.41Å; L116-L125 PolarHBondContact O-N 2.91Å; L116-L180 HydrophobicContact CD1-CD2 4.18Å; L116-L180 HydrophobicContact CD2-CD2 3.66Å; L116-L180 HydrophobicContact CG-CD2 4.41Å; L116-F184 HydrophobicContact CD1-CD2 3.98Å; L116-F184 HydrophobicContact CD1-CE1 4.5Å; L116-F184 HydrophobicContact CD1-CE2 3.23Å; L116-F184 HydrophobicContact CD1-CZ 3.52Å; L116-L474 HydrophobicContact CD2-CD1 3.93Å; L116-L474 HydrophobicContact CD2-CD2 4.43Å; L116-L474 HydrophobicContact CD2-CG 4.48Å; L116-L478 HydrophobicContact CD2-CD1 3.99Å; L116-L478 HydrophobicContact CD2-CD2 3.78Å; L116-L478 HydrophobicContact CD2-CG 4.3Å; L116-L478 HydrophobicContact CG-CD2 4.44Å
117S90.7Very high72.4Confident43 Ų4339.9 Ų39.930%0.30127%0.272SS..BIsolated β-bridgetrans-94.5135.2-175.9-660000111.7F113 E114 G119F113-S117 PolarHBondContact O-N 3.39Å; F113-S117 PolarHBondContact O-OG 3.11Å; E114-S117 WeakPolarHBondContact O-CB 3.44Å; E114-S117 PolarHBondContact O-N 2.92Å; S117-G119 PolarHBondContact O-N 2.82Å
118C92.6Very high75.5Confident0 Ų036.1 Ų36.10%025%0.247CC..  trans-73.6117.4177.9173.60000111.3I120 C121 L122 S123 L125 C138C118-I120 PolarHBondContact O-N 3.27Å; C118-C121 VanDerWaalsContact CB-SG 3.6Å; C118-C121 PolarHBondContact O-N 3.16Å; C118-C121 VanDerWaalsContact O-N 3.12Å; C118-L122 WeakPolarHBondContact O-CA 3.14Å; C118-L122 PolarHBondContact O-N 3.13Å; C118-S123 PolarHBondContact N-O 3.49Å; C118-L125 HydrophobicContact CB-CD2 3.78Å; C118-L125 HydrophobicContact CB-CG 4.32Å; C118-C138 VanDerWaalsContact CB-SG 3.52Å; C118-C138 PolarHBondContact SG-N 3.44Å; C118-C138 VanDerWaalsContact SG-N 3.37Å
119G88.8Confident78.5Confident26 Ų2634 Ų3427%0.26822%0.224SC..THydrogen-bonded Turntrans-62.74.5-179.700000117.3S117S117-G119 PolarHBondContact O-N 2.82Å
120I88.3Confident81.3Confident36 Ų3632.5 Ų32.519%0.18521%0.213CC..THydrogen-bonded Turntrans-105.4-42.7171.2-63.3162.6000111.7C118 F137 C141 L142 E145 K156C118-I120 PolarHBondContact O-N 3.27Å; I120-F137 HydrophobicContact CD1-CB 4.22Å; I120-F137 HydrophobicContact CD1-CD1 3.71Å; I120-F137 HydrophobicContact CD1-CE1 4.41Å; I120-F137 HydrophobicContact CD1-CG 4.09Å; I120-F137 HydrophobicContact CG1-CD1 3.75Å; I120-F137 HydrophobicContact CG1-CE1 4.15Å; I120-C141 HydrophobicContact CB-CB 3.95Å; I120-C141 HydrophobicContact CD1-CB 3.91Å; I120-C141 HydrophobicContact CG2-CB 3.82Å; I120-L142 HydrophobicContact CD1-CD2 3.93Å; I120-E145 HydrophobicContact CD1-CG 4.14Å; I120-E145 HydrophobicContact CG2-CG 4.16Å; I120-K156 HydrophobicContact CG1-CG 4.01Å
121C90.5Very high84Confident9 Ų928.3 Ų28.36%0.06117%0.168CC..THydrogen-bonded Turntrans-109.9-2.7-175.273.90000114.2C118 S123 H224 I225C118-C121 VanDerWaalsContact CB-SG 3.6Å; C118-C121 PolarHBondContact O-N 3.16Å; C118-C121 VanDerWaalsContact O-N 3.12Å; C121-S123 PolarHBondContact O-N 2.84Å; C121-S123 VanDerWaalsContact O-N 3.08Å; C121-H224 PolarHBondContact O-NE2 2.95Å; C121-I225 HydrophobicContact CB-CD1 3.61Å; C121-I225 WeakPolarHBondContact O-CD1 3.48Å
122L89.6Confident86.1Confident60 Ų6027.7 Ų27.731%0.31416%0.162SC..  trans53.130.1176.1-44.8-179.4000114C118 H224 M254 W257C118-L122 WeakPolarHBondContact O-CA 3.14Å; C118-L122 PolarHBondContact O-N 3.13Å; L122-H224 PolarHBondContact O-NE2 3.33Å; L122-M254 HydrophobicContact CB-CE 3.65Å; L122-M254 HydrophobicContact CD1-CE 4.02Å; L122-M254 HydrophobicContact CG-CE 4.48Å; L122-W257 HydrophobicContact CD1-CB 4.28Å
123S90.9Very high88.1Confident7 Ų726.5 Ų26.55%0.04915%0.148CC..SBendtrans-131.1161.9-178.2174.90000108.2C118 C121 L125 R194 D223 H224C118-S123 PolarHBondContact N-O 3.49Å; C121-S123 PolarHBondContact O-N 2.84Å; C121-S123 VanDerWaalsContact O-N 3.08Å; S123-L125 PolarHBondContact O-N 3.2Å; S123-R194 PolarHBondContact OG-NH1 3.21Å; S123-D223 WeakPolarHBondContact CB-OD1 3.31Å; S123-D223 PolarHBondContact OG-OD1 3.45Å; S123-D223 PolarHBondContact OG-OD2 2.91Å; S123-H224 WeakPolarHBondContact CA-NE2 3.49Å; S123-H224 WeakPolarHBondContact CB-NE2 3.27Å; S123-H224 PolarHBondContact N-NE2 2.87Å
124F92.6Very high89.6Confident21 Ų2126.1 Ų26.19%0.09215%0.146CC..BIsolated β-bridgetrans-50.1134.6-177.6-172.5-88.8000112.4L116 F126 L180 F184 F187L116-F124 HydrophobicContact CB-CD2 4.34Å; L116-F124 HydrophobicContact CB-CE2 4.17Å; L116-F124 HydrophobicContact CD1-CE2 4.01Å; F124-F126 PolarHBondContact O-N 3.44Å; F124-L180 HydrophobicContact CE1-CB 4.19Å; F124-L180 HydrophobicContact CE1-CD1 4.45Å; F124-L180 HydrophobicContact CE1-CD2 4.31Å; F124-L180 HydrophobicContact CE2-CD2 4.36Å; F124-L180 HydrophobicContact CZ-CB 4.14Å; F124-L180 HydrophobicContact CZ-CD2 3.68Å; F124-L180 HydrophobicContact CZ-CG 4.33Å; F124-F184 HydrophobicContact CE1-CB 4.32Å; F124-F184 HydrophobicContact CE2-CB 3.93Å; F124-F184 HydrophobicContact CE2-CD1 4.44Å; F124-F184 AromaticContact CE2-CD2 3.83Å; F124-F184 HydrophobicContact CE2-CD2 3.83Å; F124-F184 HydrophobicContact CE2-CE2 4.47Å; F124-F184 AromaticContact CE2-CG 3.79Å; F124-F184 HydrophobicContact CE2-CG 3.79Å; F124-F184 HydrophobicContact CZ-CB 3.47Å; F124-F184 VanDerWaalsContact CZ-CB 3.47Å; F124-F184 AromaticContact CZ-CD2 3.61Å; F124-F184 HydrophobicContact CZ-CD2 3.61Å; F124-F184 AromaticContact CZ-CG 3.68Å; F124-F184 HydrophobicContact CZ-CG 3.68Å; F124-F187 HydrophobicContact CB-CB 4.4Å; F124-F187 HydrophobicContact CB-CD1 4.15Å; F124-F187 HydrophobicContact CD1-CB 3.59Å; F124-F187 HydrophobicContact CD1-CG 4.45Å; F124-F187 HydrophobicContact CD2-CB 3.99Å; F124-F187 HydrophobicContact CD2-CD1 4.21Å; F124-F187 HydrophobicContact CD2-CG 4.03Å; F124-F187 HydrophobicContact CE1-CB 3.72Å; F124-F187 HydrophobicContact CE2-CB 4.11Å; F124-F187 HydrophobicContact CE2-CG 4.3Å; F124-F187 HydrophobicContact CG-CB 3.73Å; F124-F187 HydrophobicContact CG-CD1 4.16Å; F124-F187 HydrophobicContact CG-CG 4.11Å; F124-F187 HydrophobicContact CZ-CB 3.98Å
125L93.8Very high90.9Very high4 Ų422.3 Ų22.32%0.02113%0.128CC..  trans-59.6128.8-177.8-83.3165.3000112.1L116 C118 S123 P128 C136 L180 L474L116-L125 WeakPolarHBondContact O-CB 3.44Å; L116-L125 VanDerWaalsContact O-CG 3.3Å; L116-L125 WeakPolarHBondContact O-CG 3.41Å; L116-L125 PolarHBondContact O-N 2.91Å; C118-L125 HydrophobicContact CB-CD2 3.78Å; C118-L125 HydrophobicContact CB-CG 4.32Å; S123-L125 PolarHBondContact O-N 3.2Å; L125-P128 HydrophobicContact CD2-CB 4.4Å; L125-C136 HydrophobicContact CD1-CB 4.4Å; L125-L180 HydrophobicContact CB-CD1 3.83Å; L125-L474 HydrophobicContact CD1-CD2 3.33Å
126F94.1Very high91.8Very high19 Ų1919.3 Ų19.38%0.08311%0.113CC..SBendtrans-139.6121.9-178.1-173.5-114.4000110.3F124 C138 Q188 G191 R192 R195F124-F126 PolarHBondContact O-N 3.44Å; F126-C138 PolarHBondContact N-SG 3.49Å; F126-Q188 HydrophobicContact CE2-CG 4.39Å; F126-Q188 WeakPolarHBondContact CE2-O 3.41Å; F126-G191 WeakPolarHBondContact CE1-O 3.3Å; F126-G191 WeakPolarHBondContact CZ-O 3.46Å; F126-R192 HydrophobicContact CZ-CB 4.23Å; F126-R192 VanDerWaalsContact CZ-N 3.26Å; F126-R195 HydrophobicContact CE1-CB 4.27Å
127E95.2Very high92.1Very high50 Ų5019.2 Ų19.223%0.23411%0.112CC..SBendtrans47.368.4-158.3-80.1177.7-173.500111.1K139 V172 R195E127-K139 HydrophobicContact CB-CB 4.06Å; E127-K139 WeakPolarHBondContact O-CB 3.47Å; E127-K139 PolarHBondContact O-N 3.06Å; E127-V172 HydrophobicContact CB-CG1 4.33Å; E127-V172 HydrophobicContact CB-CG2 3.81Å; E127-V172 HydrophobicContact CG-CG1 4.39Å; E127-V172 HydrophobicContact CG-CG2 3.91Å; E127-R195 VanDerWaalsContact CD-CZ 3.44Å; E127-R195 IonicContact OE1-CZ 2.7Å; E127-R195 IonicContact OE1-NH1 2.71Å; E127-R195 PolarHBondContact OE1-NH1 3.23Å; E127-R195 IonicContact OE1-NH2 3.66Å; E127-R195 PolarHBondContact OE1-NH2 3.04Å; E127-R195 IonicContact OE2-CZ 3.14Å; E127-R195 IonicContact OE2-NH1 3.95Å; E127-R195 IonicContact OE2-NH2 2.74Å; E127-R195 PolarHBondContact OE2-NH2 3.25Å
128P96.3Very high92.3Very high1 Ų117.5 Ų17.51%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-62.9137.2-179.928-35.4000110.6L125 F137 V172 N173 L176 L180L125-P128 HydrophobicContact CD2-CB 4.4Å; P128-F137 CarbonylContact C-O 3.54Å; P128-V172 CarbonylContact O-C 3.51Å; P128-V172 WeakPolarHBondContact O-CA 3.44Å; P128-V172 WeakPolarHBondContact O-CG1 3.24Å; P128-N173 PolarHBondContact O-N 3.39Å; P128-L176 HydrophobicContact CB-CB 4.24Å; P128-L176 HydrophobicContact CB-CD1 4.37Å; P128-L176 HydrophobicContact CG-CB 3.61Å; P128-L180 HydrophobicContact CG-CD1 4.02Å
129V95.3Very high92.4Very high4 Ų420 Ų202%0.02411%0.111CC..EExtended strand (participates in β ladder)trans-121.3122.6174.9174.70000107L131 C136 F137 K139 L142 Y170 R171V129-L131 HydrophobicContact CG1-CD2 4.47Å; V129-C136 WeakPolarHBondContact O-CA 3.25Å; V129-F137 PolarHBondContact N-O 3.31Å; V129-F137 PolarHBondContact O-N 3.26Å; V129-K139 HydrophobicContact CG2-CB 3.59Å; V129-K139 HydrophobicContact CG2-CG 4.1Å; V129-L142 HydrophobicContact CB-CD1 3.65Å; V129-L142 HydrophobicContact CG1-CD1 3.61Å; V129-L142 HydrophobicContact CG2-CD1 4.26Å; V129-Y170 HydrophobicContact CG1-CD1 4.22Å; V129-R171 WeakPolarHBondContact CG1-O 3.35Å; V129-R171 WeakPolarHBondContact CG2-O 3.27Å
130T93.7Very high92.6Very high23 Ų2324.4 Ų24.414%0.14112%0.123CC..EExtended strand (participates in β ladder)trans-83.4125.1172.5-53.90000108.9C136 N173 T472T130-C136 PolarHBondContact OG1-SG 3.12Å; T130-N173 PolarHBondContact OG1-ND2 3.01Å; T130-T472 HydrophobicContact CG2-CG2 3.77Å
131L91.4Very high92.7Very high6 Ų623.2 Ų23.23%0.03112%0.118CC..  trans-81.2160.6173.4-63.2-172.5000110.8V129 C133 G134 H135 F137 L142 C155 L164 Y170V129-L131 HydrophobicContact CG1-CD2 4.47Å; L131-C133 PolarHBondContact O-N 3.39Å; L131-G134 PolarHBondContact O-N 3Å; L131-H135 PolarHBondContact N-O 3.13Å; L131-F137 HydrophobicContact CD1-CD2 3.64Å; L131-F137 HydrophobicContact CD1-CE2 3.57Å; L131-F137 HydrophobicContact CG-CD2 3.94Å; L131-F137 HydrophobicContact CG-CE2 4.21Å; L131-L142 HydrophobicContact CD1-CD2 4.25Å; L131-L142 HydrophobicContact CD2-CD1 3.75Å; L131-L142 HydrophobicContact CD2-CD2 4.12Å; L131-C155 HydrophobicContact CD1-CB 4.28Å; L131-L164 HydrophobicContact CB-CD2 4.14Å; L131-L164 HydrophobicContact CD1-CD1 4.03Å; L131-L164 HydrophobicContact CD1-CD2 4.11Å; L131-L164 HydrophobicContact CD2-CD2 3.85Å; L131-L164 HydrophobicContact CG-CD2 4.25Å; L131-Y170 HydrophobicContact CD2-CE1 4.47Å
132P88.1Confident92.8Very high35 Ų3522.8 Ų22.823%0.22712%0.115CC..THydrogen-bonded Turntrans-61.8-6.6176.1-25.537.6000115.3R163 L164 L167 C470P132-R163 HydrophobicContact CB-CB 4.02Å; P132-L164 HydrophobicContact CG-CD2 4.47Å; P132-L167 HydrophobicContact CG-CD1 3.62Å; P132-C470 WeakPolarHBondContact O-CB 3.36Å; P132-C470 PolarHBondContact O-SG 3.19Å
133C89.1Confident92.9Very high14 Ų1423 Ų2310%0.09511%0.114CC..THydrogen-bonded Turntrans-94.26169.964.90000113.9L131 H135 C155 C158L131-C133 PolarHBondContact O-N 3.39Å; C133-H135 PolarHBondContact O-CE1 2.91Å; C133-H135 PolarHBondContact O-N 2.98Å; C133-H135 PolarHBondContact O-ND1 3.21Å; C133-H135 VanDerWaalsContact O-ND1 3.14Å; C133-H135 PolarHBondContact SG-ND1 3.3Å; C133-C155 VanDerWaalsContact SG-SG 3.68Å; C133-C158 VanDerWaalsContact SG-SG 3.68Å
134G91.1Very high92.7Very high0 Ų027.6 Ų27.60%013%0.13CC..SBendtrans90.6-20.3177.300000116.5L131 K471 V473L131-G134 PolarHBondContact O-N 3Å; G134-K471 WeakPolarHBondContact CA-O 3.44Å; G134-V473 PolarHBondContact O-N 3.26Å
135H92.8Very high92.4Very high37 Ų3727.5 Ų27.517%0.17113%0.13CC..  trans-80.2150.8-175.8-57.393000112.5L131 C133 F137 E157L131-H135 PolarHBondContact N-O 3.13Å; C133-H135 PolarHBondContact O-CE1 2.91Å; C133-H135 PolarHBondContact O-N 2.98Å; C133-H135 PolarHBondContact O-ND1 3.21Å; C133-H135 VanDerWaalsContact O-ND1 3.14Å; C133-H135 PolarHBondContact SG-ND1 3.3Å; H135-F137 HydrophobicContact CB-CE2 3.83Å; H135-F137 HydrophobicContact CB-CZ 4.29Å; H135-E157 WeakPolarHBondContact CB-OE2 3.43Å; H135-E157 IonicContact CD2-OE2 2.71Å; H135-E157 PolarHBondContact CD2-OE2 3.27Å; H135-E157 IonicContact CG-OE2 3.49Å
136C94.1Very high92Very high8 Ų831.8 Ų31.85%0.05415%0.146CC..EExtended strand (participates in β ladder)trans-118.6130.6-168.6-66.90000113L125 V129 T130 L176 L474L125-C136 HydrophobicContact CD1-CB 4.4Å; V129-C136 WeakPolarHBondContact O-CA 3.25Å; T130-C136 PolarHBondContact OG1-SG 3.12Å; C136-L176 HydrophobicContact CB-CD1 4.45Å; C136-L474 HydrophobicContact CB-CB 4.33Å; C136-L474 HydrophobicContact CB-CD2 3.9Å
137F94.9Very high91.6Very high1 Ų139.3 Ų39.30%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-135.5156.3-179.1-58.8-88.6000111.7I120 P128 V129 L131 H135 K139 L142 K156 E157I120-F137 HydrophobicContact CD1-CB 4.22Å; I120-F137 HydrophobicContact CD1-CD1 3.71Å; I120-F137 HydrophobicContact CD1-CE1 4.41Å; I120-F137 HydrophobicContact CD1-CG 4.09Å; I120-F137 HydrophobicContact CG1-CD1 3.75Å; I120-F137 HydrophobicContact CG1-CE1 4.15Å; P128-F137 CarbonylContact C-O 3.54Å; V129-F137 PolarHBondContact N-O 3.31Å; V129-F137 PolarHBondContact O-N 3.26Å; L131-F137 HydrophobicContact CD1-CD2 3.64Å; L131-F137 HydrophobicContact CD1-CE2 3.57Å; L131-F137 HydrophobicContact CG-CD2 3.94Å; L131-F137 HydrophobicContact CG-CE2 4.21Å; H135-F137 HydrophobicContact CB-CE2 3.83Å; H135-F137 HydrophobicContact CB-CZ 4.29Å; F137-K139 PolarHBondContact O-N 3.24Å; F137-L142 HydrophobicContact CB-CD1 4.11Å; F137-L142 HydrophobicContact CB-CD2 3.85Å; F137-L142 HydrophobicContact CB-CG 3.86Å; F137-L142 HydrophobicContact CD2-CD2 4.14Å; F137-L142 HydrophobicContact CG-CD2 4.07Å; F137-K156 HydrophobicContact CE1-CB 4.38Å; F137-E157 WeakPolarHBondContact CE1-OE1 3.42Å; F137-E157 HydrophobicContact CZ-CG 4.4Å; F137-E157 WeakPolarHBondContact CZ-OE1 3.49Å
138C95.3Very high90.9Very high6 Ų642 Ų424%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-61.7129.8171.7-62.10000110.8C118 F126 K140 C141 L142C118-C138 VanDerWaalsContact CB-SG 3.52Å; C118-C138 PolarHBondContact SG-N 3.44Å; C118-C138 VanDerWaalsContact SG-N 3.37Å; F126-C138 PolarHBondContact N-SG 3.49Å; C138-K140 VanDerWaalsContact C-N 3.31Å; C138-K140 PolarHBondContact O-N 3.22Å; C138-C141 HydrophobicContact CB-CB 4.18Å; C138-C141 WeakPolarHBondContact O-CA 3.2Å; C138-C141 WeakPolarHBondContact O-CB 3.47Å; C138-C141 PolarHBondContact O-N 3.41Å; C138-L142 PolarHBondContact O-N 3.11Å
139K94.6Very high89.8Confident53 Ų5344.2 Ų44.223%0.2320%0.201CC..Hα-helixtrans-46-50.6178.6-179.3168.1175.21630113.8E127 V129 F137 C141 L142 E143 Y170 V172E127-K139 HydrophobicContact CB-CB 4.06Å; E127-K139 WeakPolarHBondContact O-CB 3.47Å; E127-K139 PolarHBondContact O-N 3.06Å; V129-K139 HydrophobicContact CG2-CB 3.59Å; V129-K139 HydrophobicContact CG2-CG 4.1Å; F137-K139 PolarHBondContact O-N 3.24Å; K139-C141 PolarHBondContact O-N 3.45Å; K139-L142 PolarHBondContact O-N 3.44Å; K139-E143 WeakPolarHBondContact CE-OE1 3.38Å; K139-E143 HydrophobicContact CG-CG 4.46Å; K139-E143 WeakPolarHBondContact CG-OE1 3.33Å; K139-E143 WeakPolarHBondContact O-CG 3.3Å; K139-E143 PolarHBondContact O-N 2.91Å; K139-Y170 WeakPolarHBondContact CE-O 3.4Å; K139-Y170 PolarHBondContact NZ-O 2.92Å; K139-V172 HydrophobicContact CD-CG2 3.92Å
140K92.4Very high88.9Confident118 Ų11852.2 Ų52.251%0.51324%0.238SC..Hα-helixtrans-66.7-18.3-179.4-71.3-73.9161.6-154.70114.3C138 E143 R144C138-K140 VanDerWaalsContact C-N 3.31Å; C138-K140 PolarHBondContact O-N 3.22Å; K140-E143 VanDerWaalsContact CD-OE2 3.31Å; K140-E143 WeakPolarHBondContact CD-OE2 3.4Å; K140-E143 VanDerWaalsContact CE-OE2 3.31Å; K140-E143 WeakPolarHBondContact CE-OE2 3.34Å; K140-E143 IonicContact NZ-OE1 3.49Å; K140-E143 IonicContact NZ-OE2 2.8Å; K140-E143 PolarHBondContact NZ-OE2 2.94Å; K140-R144 WeakPolarHBondContact O-CB 3.35Å; K140-R144 PolarHBondContact O-N 3.3Å
141C92.3Very high87.9Confident12 Ų1257.7 Ų57.78%0.08126%0.256CS..Hα-helixtrans-80.2-43.5174.1-66.50000111.1I120 C138 K139 R144 E145I120-C141 HydrophobicContact CB-CB 3.95Å; I120-C141 HydrophobicContact CD1-CB 3.91Å; I120-C141 HydrophobicContact CG2-CB 3.82Å; C138-C141 HydrophobicContact CB-CB 4.18Å; C138-C141 WeakPolarHBondContact O-CA 3.2Å; C138-C141 WeakPolarHBondContact O-CB 3.47Å; C138-C141 PolarHBondContact O-N 3.41Å; K139-C141 PolarHBondContact O-N 3.45Å; C141-R144 PolarHBondContact O-N 3.24Å; C141-E145 PolarHBondContact O-N 2.71Å
142L91.6Very high87.1Confident0 Ų060.3 Ų60.30%027%0.274CS..Hα-helixtrans-62.5-46.1174.1-62.3172000111.8I120 V129 L131 F137 C138 K139 R144 E145 R146 V153 Y170I120-L142 HydrophobicContact CD1-CD2 3.93Å; V129-L142 HydrophobicContact CB-CD1 3.65Å; V129-L142 HydrophobicContact CG1-CD1 3.61Å; V129-L142 HydrophobicContact CG2-CD1 4.26Å; L131-L142 HydrophobicContact CD1-CD2 4.25Å; L131-L142 HydrophobicContact CD2-CD1 3.75Å; L131-L142 HydrophobicContact CD2-CD2 4.12Å; F137-L142 HydrophobicContact CB-CD1 4.11Å; F137-L142 HydrophobicContact CB-CD2 3.85Å; F137-L142 HydrophobicContact CB-CG 3.86Å; F137-L142 HydrophobicContact CD2-CD2 4.14Å; F137-L142 HydrophobicContact CG-CD2 4.07Å; C138-L142 PolarHBondContact O-N 3.11Å; K139-L142 PolarHBondContact O-N 3.44Å; L142-R144 VanDerWaalsContact C-N 3.27Å; L142-R144 PolarHBondContact O-N 2.71Å; L142-E145 PolarHBondContact O-N 3.28Å; L142-R146 WeakPolarHBondContact O-CB 3.45Å; L142-R146 PolarHBondContact O-N 2.79Å; L142-V153 HydrophobicContact CD2-CG1 3.9Å; L142-Y170 HydrophobicContact CB-CD1 4.34Å; L142-Y170 HydrophobicContact CB-CD2 3.79Å; L142-Y170 HydrophobicContact CB-CE1 4.26Å; L142-Y170 HydrophobicContact CB-CE2 3.69Å; L142-Y170 HydrophobicContact CB-CG 4.13Å; L142-Y170 HydrophobicContact CD1-CD1 3.96Å; L142-Y170 HydrophobicContact CD1-CE1 4.28Å; L142-Y170 HydrophobicContact CD1-CG 4.19Å
143E90.8Very high86.8Confident64 Ų6458.9 Ų58.930%0.29926%0.264SS..Hα-helixtrans-58-38.4175.7-71.3175.7-179.800112.4K139 K140 K147 Y170K139-E143 WeakPolarHBondContact CE-OE1 3.38Å; K139-E143 HydrophobicContact CG-CG 4.46Å; K139-E143 WeakPolarHBondContact CG-OE1 3.33Å; K139-E143 WeakPolarHBondContact O-CG 3.3Å; K139-E143 PolarHBondContact O-N 2.91Å; K140-E143 VanDerWaalsContact CD-OE2 3.31Å; K140-E143 WeakPolarHBondContact CD-OE2 3.4Å; K140-E143 VanDerWaalsContact CE-OE2 3.31Å; K140-E143 WeakPolarHBondContact CE-OE2 3.34Å; K140-E143 IonicContact NZ-OE1 3.49Å; K140-E143 IonicContact NZ-OE2 2.8Å; K140-E143 PolarHBondContact NZ-OE2 2.94Å; E143-K147 WeakPolarHBondContact O-CB 3.22Å; E143-K147 PolarHBondContact O-N 2.87Å; E143-Y170 HydrophobicContact CG-CD2 3.91Å
144R88.6Confident86.6Confident103 Ų10360.9 Ų60.939%0.38928%0.276SS..Hα-helixtrans-71.2-50.7177.5-177.4-174.8-64.4153.93.3111.9K140 C141 L142 R146 K147 E148K140-R144 WeakPolarHBondContact O-CB 3.35Å; K140-R144 PolarHBondContact O-N 3.3Å; C141-R144 PolarHBondContact O-N 3.24Å; L142-R144 VanDerWaalsContact C-N 3.27Å; L142-R144 PolarHBondContact O-N 2.71Å; R144-R146 VanDerWaalsContact C-N 3.26Å; R144-R146 PolarHBondContact O-N 3.27Å; R144-K147 PolarHBondContact O-N 3.09Å; R144-E148 WeakPolarHBondContact CD-OE1 3.45Å; R144-E148 HydrophobicContact CG-CG 4.02Å; R144-E148 WeakPolarHBondContact CG-OE1 3.45Å; R144-E148 PolarHBondContact O-N 2.78Å
145E86.1Confident86.4Confident20 Ų2060.9 Ų60.99%0.09328%0.276CS..Hα-helixtrans-54.7-43.3178.7-79.7-73.9104.700111.2I120 C141 L142 K147 K149 V153 K156I120-E145 HydrophobicContact CD1-CG 4.14Å; I120-E145 HydrophobicContact CG2-CG 4.16Å; C141-E145 PolarHBondContact O-N 2.71Å; L142-E145 PolarHBondContact O-N 3.28Å; E145-K147 PolarHBondContact O-N 3.11Å; E145-K149 WeakPolarHBondContact O-CB 3.49Å; E145-K149 PolarHBondContact O-N 3.11Å; E145-K149 IonicContact OE1-NZ 3.54Å; E145-K149 PolarHBondContact OE1-NZ 3.13Å; E145-K149 IonicContact OE2-NZ 3.76Å; E145-K149 PolarHBondContact OE2-NZ 3.26Å; E145-V153 HydrophobicContact CB-CG1 4.45Å; E145-V153 HydrophobicContact CB-CG2 4.1Å; E145-K156 WeakPolarHBondContact OE2-CE 3.49Å; E145-K156 IonicContact OE2-NZ 3.5Å
146R85Confident86Confident93 Ų9363.1 Ų63.135%0.35129%0.285SS..Hα-helixtrans-61.8-42.5176.6-166.5-179.5-176.3-169.26.1112.2L142 R144 E150 V153 L167 Q168L142-R146 WeakPolarHBondContact O-CB 3.45Å; L142-R146 PolarHBondContact O-N 2.79Å; R144-R146 VanDerWaalsContact C-N 3.26Å; R144-R146 PolarHBondContact O-N 3.27Å; R146-E150 PolarHBondContact O-N 3.16Å; R146-V153 HydrophobicContact CB-CG2 3.78Å; R146-V153 HydrophobicContact CG-CG2 4.47Å; R146-L167 PolarHBondContact NH1-O 3.03Å; R146-L167 PolarHBondContact NH2-O 2.84Å; R146-Q168 PolarHBondContact NH1-O 3.31Å
147K85Confident85.6Confident177 Ų17766.5 Ų66.577%0.7730%0.3SS*.Hα-helixtrans-72.1-40.9-179.2-172.7179.4-179.7-178.30112.9E143 R144 E145E143-K147 WeakPolarHBondContact O-CB 3.22Å; E143-K147 PolarHBondContact O-N 2.87Å; R144-K147 PolarHBondContact O-N 3.09Å; E145-K147 PolarHBondContact O-N 3.11Å
148E79.9Confident85.3Confident106 Ų10669.2 Ų69.250%0.49532%0.319SS..Hα-helixtrans-76.5-25.9-174.4-73.2176.6177.300113.3R144R144-E148 WeakPolarHBondContact CD-OE1 3.45Å; R144-E148 HydrophobicContact CG-CG 4.02Å; R144-E148 WeakPolarHBondContact CG-OE1 3.45Å; R144-E148 PolarHBondContact O-N 2.78Å
149K74.4Confident84.9Confident49 Ų4977.3 Ų77.321%0.21335%0.348CS..Hα-helixtrans-109.6-4.4-172.1-67.3166.8171.8149.20114.3E145 R151 E288E145-K149 WeakPolarHBondContact O-CB 3.49Å; E145-K149 PolarHBondContact O-N 3.11Å; E145-K149 IonicContact OE1-NZ 3.54Å; E145-K149 PolarHBondContact OE1-NZ 3.13Å; E145-K149 IonicContact OE2-NZ 3.76Å; E145-K149 PolarHBondContact OE2-NZ 3.26Å; K149-R151 HydrophobicContact CB-CG 3.96Å; K149-R151 WeakPolarHBondContact O-CG 3.38Å; K149-R151 PolarHBondContact O-N 3.27Å; K149-E288 IonicContact NZ-OE1 2.73Å
150E75.2Confident84.2Confident172 Ų17276.2 Ų76.280%0.80435%0.345SS*.SBendtrans51.325.6176.8-62.5176.2162.100114.1R146R146-E150 PolarHBondContact O-N 3.16Å
151R73.8Confident83.2Confident137 Ų13773.3 Ų73.352%0.51734%0.34SS..SBendtrans-141.4162.3-176.569.7-173.8172178.1-8.3110.5K149 V153K149-R151 HydrophobicContact CB-CG 3.96Å; K149-R151 WeakPolarHBondContact O-CG 3.38Å; K149-R151 PolarHBondContact O-N 3.27Å; R151-V153 PolarHBondContact O-N 3.38Å
152P73.9Confident81.9Confident61 Ų6176.9 Ų76.940%0.39637%0.365SS..  trans-51139.6172-27.836.5000111.7V154 A165P152-V154 PolarHBondContact O-N 3.32Å; P152-A165 HydrophobicContact CG-CB 4.21Å
153V81.1Confident80.6Confident6 Ų681 Ų814%0.03638%0.38CS..  trans-63.9138.6175.51770000108.4L142 E145 R146 R151 L164 Y170L142-V153 HydrophobicContact CD2-CG1 3.9Å; E145-V153 HydrophobicContact CB-CG1 4.45Å; E145-V153 HydrophobicContact CB-CG2 4.1Å; R146-V153 HydrophobicContact CB-CG2 3.78Å; R146-V153 HydrophobicContact CG-CG2 4.47Å; R151-V153 PolarHBondContact O-N 3.38Å; V153-L164 WeakPolarHBondContact O-CB 3.44Å; V153-L164 WeakPolarHBondContact O-CD1 3.46Å; V153-Y170 VanDerWaalsContact CG2-OH 3.27Å; V153-Y170 WeakPolarHBondContact CG2-OH 3.43Å
154V85Confident79.2Confident55 Ų5578.2 Ų78.233%0.33337%0.367SS..  trans-104.4128.8173.1-172.40000107.8P152 K156 R159P152-V154 PolarHBondContact O-N 3.32Å; V154-K156 PolarHBondContact O-N 3.01Å; V154-R159 VanDerWaalsContact CG1-O 3.32Å; V154-R159 WeakPolarHBondContact CG1-O 3.39Å
155C88.1Confident77.7Confident1 Ų175.7 Ų75.71%0.00737%0.369CS..  trans-60122.6176.1179.80000110L131 C133 E157 R159 D160 L164L131-C155 HydrophobicContact CD1-CB 4.28Å; C133-C155 VanDerWaalsContact SG-SG 3.68Å; C155-E157 VanDerWaalsContact C-N 3.25Å; C155-E157 PolarHBondContact O-N 3.21Å; C155-R159 WeakPolarHBondContact O-CA 3.45Å; C155-R159 PolarHBondContact O-N 2.91Å; C155-D160 PolarHBondContact N-O 3.02Å; C155-L164 HydrophobicContact CB-CD1 4.47Å
156K85.1Confident76.3Confident83 Ų8380.9 Ų80.936%0.36140%0.397SS..THydrogen-bonded Turntrans-68.4-27.1-176.7-66-66.8-171.3163.10113.2R104 I120 F137 E145 V154R104-K156 PolarHBondContact NH1-O 3.12Å; I120-K156 HydrophobicContact CG1-CG 4.01Å; F137-K156 HydrophobicContact CE1-CB 4.38Å; E145-K156 WeakPolarHBondContact OE2-CE 3.49Å; E145-K156 IonicContact OE2-NZ 3.5Å; V154-K156 PolarHBondContact O-N 3.01Å
157E85.2Confident75.4Confident80 Ų8078.2 Ų78.237%0.37439%0.39SS..THydrogen-bonded Turntrans-78.1-71.5-179.8-72.7153.4-12800110.7R104 H135 F137 C155R104-E157 PolarHBondContact NH1-O 3.47Å; H135-E157 WeakPolarHBondContact CB-OE2 3.43Å; H135-E157 IonicContact CD2-OE2 2.71Å; H135-E157 PolarHBondContact CD2-OE2 3.27Å; H135-E157 IonicContact CG-OE2 3.49Å; F137-E157 WeakPolarHBondContact CE1-OE1 3.42Å; F137-E157 HydrophobicContact CZ-CG 4.4Å; F137-E157 WeakPolarHBondContact CZ-OE1 3.49Å; C155-E157 VanDerWaalsContact C-N 3.25Å; C155-E157 PolarHBondContact O-N 3.21Å
158C88.2Confident74.5Confident58 Ų5877.6 Ų77.639%0.39239%0.39SS..THydrogen-bonded Turntrans-85.6-6.4-176.970.10000116.1C133 D160C133-C158 VanDerWaalsContact SG-SG 3.68Å; C158-D160 PolarHBondContact O-N 3.2Å
159R86.1Confident74.6Confident175 Ų17576.5 Ų76.566%0.6639%0.39SS*.  trans62.98.4-175.7-52.5-175.4-177.9-166.31.4116.3V154 C155V154-R159 VanDerWaalsContact CG1-O 3.32Å; V154-R159 WeakPolarHBondContact CG1-O 3.39Å; C155-R159 WeakPolarHBondContact O-CA 3.45Å; C155-R159 PolarHBondContact O-N 2.91Å
160D80Confident75.4Confident31 Ų3174.7 Ų74.717%0.16638%0.382CS..  trans-67.8135.9173.2-165.7-0.9000110.9C155 C158 S162 R163 L164C155-D160 PolarHBondContact N-O 3.02Å; C158-D160 PolarHBondContact O-N 3.2Å; D160-S162 WeakPolarHBondContact OD1-CB 3.35Å; D160-S162 PolarHBondContact OD1-N 3.43Å; D160-S162 PolarHBondContact OD1-OG 3.28Å; D160-R163 WeakPolarHBondContact OD2-CD 3.43Å; D160-R163 WeakPolarHBondContact OD2-CG 3.22Å; D160-R163 IonicContact OD2-CZ 2.91Å; D160-R163 IonicContact OD2-NE 2.76Å; D160-R163 PolarHBondContact OD2-NE 3.23Å; D160-L164 WeakPolarHBondContact O-CD1 3.27Å
161S73.1Confident76.2Confident57 Ų5771.8 Ų71.840%0.39936%0.364SS..  trans-128.4-16.7175.9600000112.5L164S161-L164 PolarHBondContact O-N 2.97Å
162S63Low77.3Confident86 Ų8666.9 Ų66.960%0.60135%0.349SS*.G310 helixtrans-66.1-42.5-172.862.60000111.6D160 L164D160-S162 WeakPolarHBondContact OD1-CB 3.35Å; D160-S162 PolarHBondContact OD1-N 3.43Å; D160-S162 PolarHBondContact OD1-OG 3.28Å; S162-L164 PolarHBondContact O-N 3.01Å
163R64.3Low78.4Confident87 Ų8764 Ų6433%0.32833%0.33SS..G310 helixtrans-81.57.7-178.4-48.8178.4-159.9-155-4.8114P132 D160 L468 C470P132-R163 HydrophobicContact CB-CB 4.02Å; D160-R163 WeakPolarHBondContact OD2-CD 3.43Å; D160-R163 WeakPolarHBondContact OD2-CG 3.22Å; D160-R163 IonicContact OD2-CZ 2.91Å; D160-R163 IonicContact OD2-NE 2.76Å; D160-R163 PolarHBondContact OD2-NE 3.23Å; R163-L468 HydrophobicContact CG-CD1 4.28Å; R163-C470 PolarHBondContact NH1-SG 2.93Å
164L62.6Low79.1Confident5 Ų567 Ų673%0.02635%0.348CS..G310 helixtrans-119-2.7-170.5-67.9171.6000113.6L131 P132 V153 C155 D160 S161 S162 L167L131-L164 HydrophobicContact CB-CD2 4.14Å; L131-L164 HydrophobicContact CD1-CD1 4.03Å; L131-L164 HydrophobicContact CD1-CD2 4.11Å; L131-L164 HydrophobicContact CD2-CD2 3.85Å; L131-L164 HydrophobicContact CG-CD2 4.25Å; P132-L164 HydrophobicContact CG-CD2 4.47Å; V153-L164 WeakPolarHBondContact O-CB 3.44Å; V153-L164 WeakPolarHBondContact O-CD1 3.46Å; C155-L164 HydrophobicContact CB-CD1 4.47Å; D160-L164 WeakPolarHBondContact O-CD1 3.27Å; S161-L164 PolarHBondContact O-N 2.97Å; S162-L164 PolarHBondContact O-N 3.01Å; L164-L167 HydrophobicContact CD2-CD1 3.8Å
165A56Low79.6Confident51 Ų5165.9 Ų65.942%0.42134%0.341SS..SBendtrans-66.4-44.5-17900000112.8P152 L167P152-A165 HydrophobicContact CG-CB 4.21Å; A165-L167 PolarHBondContact O-N 3.24Å
166D57.7Low80Confident129 Ų12965.8 Ų65.869%0.6934%0.341SS*.SBendtrans-86.8-5.9-169.9-52.2-51.5000114.1Q168D166-Q168 PolarHBondContact O-N 3.11Å
167L66.3Low80.5Confident37 Ų3763.6 Ų63.619%0.19434%0.336CS..  trans-70.693.6-177.7-93.3162.8000111.9P132 R146 L164 A165 Y170P132-L167 HydrophobicContact CG-CD1 3.62Å; R146-L167 PolarHBondContact NH1-O 3.03Å; R146-L167 PolarHBondContact NH2-O 2.84Å; L164-L167 HydrophobicContact CD2-CD1 3.8Å; A165-L167 PolarHBondContact O-N 3.24Å; L167-Y170 HydrophobicContact CB-CE1 4.49Å
168Q65.8Low80.9Confident164 Ų16463.4 Ų63.477%0.76634%0.343SS*.  trans-64.8-38177.1-62.9-171.7900112.6R146 D166R146-Q168 PolarHBondContact NH1-O 3.31Å; D166-Q168 PolarHBondContact O-N 3.11Å
169T82.2Confident81.1Confident83 Ų8360.9 Ų60.951%0.50933%0.326SS..SBendtrans-137.2153.6-178.171.70000112.7
170Y90.2Very high81.4Confident11 Ų1152.8 Ų52.84%0.04330%0.296CS..  trans-103.1114.5175.6-61.6-58.8000110.6V129 L131 K139 L142 E143 V153 L167V129-Y170 HydrophobicContact CG1-CD1 4.22Å; L131-Y170 HydrophobicContact CD2-CE1 4.47Å; K139-Y170 WeakPolarHBondContact CE-O 3.4Å; K139-Y170 PolarHBondContact NZ-O 2.92Å; L142-Y170 HydrophobicContact CB-CD1 4.34Å; L142-Y170 HydrophobicContact CB-CD2 3.79Å; L142-Y170 HydrophobicContact CB-CE1 4.26Å; L142-Y170 HydrophobicContact CB-CE2 3.69Å; L142-Y170 HydrophobicContact CB-CG 4.13Å; L142-Y170 HydrophobicContact CD1-CD1 3.96Å; L142-Y170 HydrophobicContact CD1-CE1 4.28Å; L142-Y170 HydrophobicContact CD1-CG 4.19Å; E143-Y170 HydrophobicContact CG-CD2 3.91Å; V153-Y170 VanDerWaalsContact CG2-OH 3.27Å; V153-Y170 WeakPolarHBondContact CG2-OH 3.43Å; L167-Y170 HydrophobicContact CB-CE1 4.49Å
171R93.4Very high82Confident111 Ų11153.2 Ų53.242%0.41930%0.304SS..  trans-94.9141.1177.2-59.4-65.5-162.3159.713.4110.7V129 P433 E458V129-R171 WeakPolarHBondContact CG1-O 3.35Å; V129-R171 WeakPolarHBondContact CG2-O 3.27Å; R171-P433 WeakPolarHBondContact CB-O 3.41Å; R171-P433 WeakPolarHBondContact CG-O 3.22Å; R171-E458 IonicContact CZ-OE1 2.83Å; R171-E458 IonicContact NE-OE1 3.97Å; R171-E458 IonicContact NH2-OE1 3.68Å; R171-E458 PolarHBondContact NH2-OE1 2.86Å; R171-E458 IonicContact NH2-OE2 3.24Å; R171-E458 PolarHBondContact NH2-OE2 3.23Å
172V96.3Very high82.9Confident34 Ų3454 Ų5421%0.20630%0.3CS..  trans-75.9134.7179.41790000108.9E127 P128 K139 V174 G435E127-V172 HydrophobicContact CB-CG1 4.33Å; E127-V172 HydrophobicContact CB-CG2 3.81Å; E127-V172 HydrophobicContact CG-CG1 4.39Å; E127-V172 HydrophobicContact CG-CG2 3.91Å; P128-V172 CarbonylContact O-C 3.51Å; P128-V172 WeakPolarHBondContact O-CA 3.44Å; P128-V172 WeakPolarHBondContact O-CG1 3.24Å; K139-V172 HydrophobicContact CD-CG2 3.92Å; V172-V174 PolarHBondContact O-N 3.02Å; V172-G435 WeakPolarHBondContact O-CA 3.36Å
173N97Very high84.2Confident1 Ų150.2 Ų50.21%0.00527%0.272CS..  trans-66.9111.2170-177-43.3000108.6P128 T130 V175 L176 S177 T431 G435 T437P128-N173 PolarHBondContact O-N 3.39Å; T130-N173 PolarHBondContact OG1-ND2 3.01Å; N173-V175 PolarHBondContact OD1-N 3.21Å; N173-L176 HydrophobicContact CB-CB 4.09Å; N173-L176 HydrophobicContact CB-CD1 4.12Å; N173-L176 HydrophobicContact CB-CG 4.44Å; N173-L176 PolarHBondContact OD1-N 3.46Å; N173-S177 VanDerWaalsContact O-CB 3.24Å; N173-S177 WeakPolarHBondContact O-CB 3.46Å; N173-S177 PolarHBondContact O-N 2.98Å; N173-T431 HydrophobicContact CB-CG2 4.35Å; N173-T431 PolarHBondContact ND2-OG1 2.89Å; N173-G435 WeakPolarHBondContact CA-O 3.35Å; N173-T437 PolarHBondContact ND2-OG1 3.32Å; N173-T437 PolarHBondContact OD1-OG1 2.91Å
174V96.1Very high85.4Confident67 Ų6746.4 Ų46.441%0.40626%0.258SS..Hα-helixtrans-64.6-44-172.2179.40000111V172 S177 S178 G435V172-V174 PolarHBondContact O-N 3.02Å; V174-S177 PolarHBondContact O-N 3.35Å; V174-S178 PolarHBondContact O-N 3.48Å; V174-S178 PolarHBondContact O-OG 3.05Å; V174-G435 PolarHBondContact N-O 3.31Å
175V95.8Very high86.7Confident32 Ų3249.7 Ų49.719%0.19428%0.28CS..Hα-helixtrans-62.7-55.1179.8175.80000110.2N173 S177 S178 L179 F426 I475N173-V175 PolarHBondContact OD1-N 3.21Å; V175-S177 VanDerWaalsContact C-N 3.3Å; V175-S177 PolarHBondContact O-N 2.94Å; V175-S178 PolarHBondContact O-N 2.92Å; V175-L179 VanDerWaalsContact O-CB 3.26Å; V175-L179 WeakPolarHBondContact O-CB 3.47Å; V175-L179 PolarHBondContact O-N 3.26Å; V175-F426 HydrophobicContact CG1-CE2 4Å; V175-F426 HydrophobicContact CG2-CE2 4.42Å; V175-F426 HydrophobicContact CG2-CZ 4.15Å; V175-I475 HydrophobicContact CG1-CD1 4.46Å
176L95.3Very high88.3Confident0 Ų049.4 Ų49.40%028%0.275CS..Hα-helixtrans-60.7-37.9178.6-73.9173.2000112.3P128 C136 N173 L179 L180 T472 L474 I475 L478P128-L176 HydrophobicContact CB-CB 4.24Å; P128-L176 HydrophobicContact CB-CD1 4.37Å; P128-L176 HydrophobicContact CG-CB 3.61Å; C136-L176 HydrophobicContact CB-CD1 4.45Å; N173-L176 HydrophobicContact CB-CB 4.09Å; N173-L176 HydrophobicContact CB-CD1 4.12Å; N173-L176 HydrophobicContact CB-CG 4.44Å; N173-L176 PolarHBondContact OD1-N 3.46Å; L176-L179 HydrophobicContact CD2-CD2 4.5Å; L176-L179 PolarHBondContact O-N 3.35Å; L176-L180 WeakPolarHBondContact O-CB 3.38Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.35Å; L176-T472 HydrophobicContact CD1-CG2 4.38Å; L176-L474 HydrophobicContact CD1-CB 4.43Å; L176-L474 HydrophobicContact CD1-CD2 3.97Å; L176-L474 HydrophobicContact CD1-CG 4.44Å; L176-L474 HydrophobicContact CD2-CD2 4.04Å; L176-L474 HydrophobicContact CD2-CG 4.06Å; L176-I475 HydrophobicContact CD1-CD1 4.41Å; L176-I475 HydrophobicContact CD1-CG1 4.14Å; L176-I475 HydrophobicContact CD2-CD1 4.36Å; L176-I475 HydrophobicContact CD2-CG1 3.59Å; L176-I475 HydrophobicContact CG-CD1 3.98Å; L176-I475 HydrophobicContact CG-CG1 3.72Å; L176-L478 HydrophobicContact CD2-CD1 3.88Å
177S95.3Very high89.9Confident37 Ų3744.7 Ų44.726%0.25925%0.248SC..Hα-helixtrans-66.9-37.2179.5-169.10000112.8N173 V174 V175 A181N173-S177 VanDerWaalsContact O-CB 3.24Å; N173-S177 WeakPolarHBondContact O-CB 3.46Å; N173-S177 PolarHBondContact O-N 2.98Å; V174-S177 PolarHBondContact O-N 3.35Å; V175-S177 VanDerWaalsContact C-N 3.3Å; V175-S177 PolarHBondContact O-N 2.94Å; S177-A181 WeakPolarHBondContact O-CB 3.35Å; S177-A181 PolarHBondContact O-N 3.16Å
178S94.3Very high91.1Very high75 Ų7545.6 Ų45.652%0.52425%0.251SS..Hα-helixtrans-71.7-44.6174.1-63.60000111.4V174 V175 A181 K182V174-S178 PolarHBondContact O-N 3.48Å; V174-S178 PolarHBondContact O-OG 3.05Å; V175-S178 PolarHBondContact O-N 2.92Å; S178-A181 WeakPolarHBondContact O-CB 3.48Å; S178-A181 PolarHBondContact O-N 2.8Å; S178-A181 VanDerWaalsContact O-N 3.15Å; S178-K182 PolarHBondContact O-N 3.31Å
179L93.1Very high92.4Very high5 Ų540.3 Ų40.33%0.02623%0.227CC..Hα-helixtrans-59-50.8179.8-16577.6000111.7V175 L176 A181 K182 W183 D416 L417 L478V175-L179 VanDerWaalsContact O-CB 3.26Å; V175-L179 WeakPolarHBondContact O-CB 3.47Å; V175-L179 PolarHBondContact O-N 3.26Å; L176-L179 HydrophobicContact CD2-CD2 4.5Å; L176-L179 PolarHBondContact O-N 3.35Å; L179-A181 PolarHBondContact O-N 3.45Å; L179-K182 PolarHBondContact O-N 3.36Å; L179-W183 HydrophobicContact CD1-CD2 3.9Å; L179-W183 VanDerWaalsContact CD1-CE2 3.4Å; L179-W183 HydrophobicContact CD1-CE3 4.36Å; L179-W183 HydrophobicContact CD1-CH2 4.06Å; L179-W183 HydrophobicContact CD1-CZ2 3.52Å; L179-W183 HydrophobicContact CD1-CZ3 4.43Å; L179-W183 HydrophobicContact CD2-CE3 4.3Å; L179-W183 HydrophobicContact CD2-CH2 4.37Å; L179-W183 HydrophobicContact CD2-CZ3 4.19Å; L179-W183 HydrophobicContact CG-CD2 3.89Å; L179-W183 HydrophobicContact CG-CE3 4.07Å; L179-W183 HydrophobicContact CG-CG 4.41Å; L179-W183 HydrophobicContact CG-CH2 4.44Å; L179-W183 HydrophobicContact CG-CZ2 4.25Å; L179-W183 HydrophobicContact CG-CZ3 4.34Å; L179-W183 WeakPolarHBondContact O-CB 3.48Å; L179-W183 PolarHBondContact O-N 3.3Å; L179-D416 HydrophobicContact CD1-CB 3.55Å; L179-L417 HydrophobicContact CD1-CD2 4.4Å; L179-L417 HydrophobicContact CD1-CG 4.26Å; L179-L417 HydrophobicContact CD2-CD2 4.07Å; L179-L478 HydrophobicContact CD2-CD1 3.68Å
180L92Very high93Very high6 Ų636.5 Ų36.53%0.03120%0.203CC..Hα-helixtrans-64.5-28.8178-63.5173.9000112.3L116 F124 L125 P128 L176 F184L116-L180 HydrophobicContact CD1-CD2 4.18Å; L116-L180 HydrophobicContact CD2-CD2 3.66Å; L116-L180 HydrophobicContact CG-CD2 4.41Å; F124-L180 HydrophobicContact CE1-CB 4.19Å; F124-L180 HydrophobicContact CE1-CD1 4.45Å; F124-L180 HydrophobicContact CE1-CD2 4.31Å; F124-L180 HydrophobicContact CE2-CD2 4.36Å; F124-L180 HydrophobicContact CZ-CB 4.14Å; F124-L180 HydrophobicContact CZ-CD2 3.68Å; F124-L180 HydrophobicContact CZ-CG 4.33Å; L125-L180 HydrophobicContact CB-CD1 3.83Å; P128-L180 HydrophobicContact CG-CD1 4.02Å; L176-L180 WeakPolarHBondContact O-CB 3.38Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.35Å; L180-F184 HydrophobicContact CD2-CD2 4Å; L180-F184 HydrophobicContact CD2-CE2 4.3Å; L180-F184 CarbonylContact O-C 3.53Å; L180-F184 WeakPolarHBondContact O-CA 3.38Å; L180-F184 WeakPolarHBondContact O-CB 3.44Å; L180-F184 PolarHBondContact O-N 2.94Å; L180-F184 VanDerWaalsContact O-N 3.13Å
181A92.3Very high93.2Very high40 Ų4036 Ų3633%0.33120%0.202SC..Hα-helixtrans-73.8-37.917500000112.9S177 S178 L179 Q188S177-A181 WeakPolarHBondContact O-CB 3.35Å; S177-A181 PolarHBondContact O-N 3.16Å; S178-A181 WeakPolarHBondContact O-CB 3.48Å; S178-A181 PolarHBondContact O-N 2.8Å; S178-A181 VanDerWaalsContact O-N 3.15Å; L179-A181 PolarHBondContact O-N 3.45Å; A181-Q188 HydrophobicContact CB-CG 3.91Å
182K91.9Very high93.2Very high72 Ų7236.1 Ų36.131%0.31320%0.202SC..Hα-helixtrans-73.9-49.4177.7-172-172.7179.1-171.70111.8S178 L179 D413 D416S178-K182 PolarHBondContact O-N 3.31Å; L179-K182 PolarHBondContact O-N 3.36Å; K182-D413 IonicContact NZ-OD2 3.77Å; K182-D416 WeakPolarHBondContact CD-OD1 3.44Å; K182-D416 VanDerWaalsContact CD-OD2 3.28Å; K182-D416 WeakPolarHBondContact CD-OD2 3.21Å; K182-D416 WeakPolarHBondContact CE-OD2 3.12Å; K182-D416 IonicContact NZ-OD1 2.71Å; K182-D416 PolarHBondContact NZ-OD1 2.86Å; K182-D416 IonicContact NZ-OD2 2.86Å; K182-D416 PolarHBondContact NZ-OD2 3.3Å
183W89.7Confident93.3Very high7 Ų734.8 Ų34.83%0.02719%0.194CC..Hα-helixtrans-80.9-26.7-172.9-64.96.7000113.1L179 V407 L411 L412 D416 L417 L478 Y482L179-W183 HydrophobicContact CD1-CD2 3.9Å; L179-W183 VanDerWaalsContact CD1-CE2 3.4Å; L179-W183 HydrophobicContact CD1-CE3 4.36Å; L179-W183 HydrophobicContact CD1-CH2 4.06Å; L179-W183 HydrophobicContact CD1-CZ2 3.52Å; L179-W183 HydrophobicContact CD1-CZ3 4.43Å; L179-W183 HydrophobicContact CD2-CE3 4.3Å; L179-W183 HydrophobicContact CD2-CH2 4.37Å; L179-W183 HydrophobicContact CD2-CZ3 4.19Å; L179-W183 HydrophobicContact CG-CD2 3.89Å; L179-W183 HydrophobicContact CG-CE3 4.07Å; L179-W183 HydrophobicContact CG-CG 4.41Å; L179-W183 HydrophobicContact CG-CH2 4.44Å; L179-W183 HydrophobicContact CG-CZ2 4.25Å; L179-W183 HydrophobicContact CG-CZ3 4.34Å; L179-W183 WeakPolarHBondContact O-CB 3.48Å; L179-W183 PolarHBondContact O-N 3.3Å; W183-V407 HydrophobicContact CB-CG1 3.91Å; W183-V407 HydrophobicContact CB-CG2 4.17Å; W183-V407 HydrophobicContact CD2-CG1 4.31Å; W183-V407 HydrophobicContact CD2-CG2 4.44Å; W183-V407 HydrophobicContact CE3-CG2 4.03Å; W183-V407 HydrophobicContact CG-CG1 4Å; W183-L411 PolarHBondContact NE1-O 2.85Å; W183-L412 HydrophobicContact CD2-CD2 4.03Å; W183-L412 HydrophobicContact CE3-CD2 4.11Å; W183-L412 HydrophobicContact CH2-CD2 3.67Å; W183-L412 HydrophobicContact CZ2-CD2 3.6Å; W183-L412 HydrophobicContact CZ3-CD2 3.95Å; W183-D416 PolarHBondContact NE1-OD2 3.08Å; W183-L417 HydrophobicContact CH2-CD1 3.73Å; W183-L417 HydrophobicContact CZ2-CD1 4.13Å; W183-L478 HydrophobicContact CZ3-CD2 4.36Å; W183-Y482 HydrophobicContact CH2-CD2 4.27Å; W183-Y482 HydrophobicContact CH2-CG 4.29Å; W183-Y482 AromaticContact CZ3-CD2 3.62Å; W183-Y482 HydrophobicContact CZ3-CD2 3.62Å; W183-Y482 HydrophobicContact CZ3-CE2 4.08Å; W183-Y482 AromaticContact CZ3-CG 3.96Å; W183-Y482 HydrophobicContact CZ3-CG 3.96Å
184F89.7Confident93.2Very high7 Ų735.8 Ų35.83%0.03120%0.198CC..  trans-13458.1-175-55.2-68.7000113.3F113 L116 F124 L180 S186 F187 Q188 V407F113-F184 AromaticContact CD1-CE1 3.99Å; F113-F184 HydrophobicContact CD1-CE1 3.99Å; F113-F184 HydrophobicContact CD1-CZ 4.17Å; F113-F184 AromaticContact CE1-CD1 3.93Å; F113-F184 HydrophobicContact CE1-CD1 3.93Å; F113-F184 AromaticContact CE1-CE1 3.19Å; F113-F184 HydrophobicContact CE1-CE1 3.19Å; F113-F184 AromaticContact CE1-CZ 3.75Å; F113-F184 HydrophobicContact CE1-CZ 3.75Å; F113-F184 AromaticContact CZ-CD1 3.94Å; F113-F184 HydrophobicContact CZ-CD1 3.94Å; F113-F184 AromaticContact CZ-CE1 3.62Å; F113-F184 HydrophobicContact CZ-CE1 3.62Å; L116-F184 HydrophobicContact CD1-CD2 3.98Å; L116-F184 HydrophobicContact CD1-CE1 4.5Å; L116-F184 HydrophobicContact CD1-CE2 3.23Å; L116-F184 HydrophobicContact CD1-CZ 3.52Å; F124-F184 HydrophobicContact CE1-CB 4.32Å; F124-F184 HydrophobicContact CE2-CB 3.93Å; F124-F184 HydrophobicContact CE2-CD1 4.44Å; F124-F184 AromaticContact CE2-CD2 3.83Å; F124-F184 HydrophobicContact CE2-CD2 3.83Å; F124-F184 HydrophobicContact CE2-CE2 4.47Å; F124-F184 AromaticContact CE2-CG 3.79Å; F124-F184 HydrophobicContact CE2-CG 3.79Å; F124-F184 HydrophobicContact CZ-CB 3.47Å; F124-F184 VanDerWaalsContact CZ-CB 3.47Å; F124-F184 AromaticContact CZ-CD2 3.61Å; F124-F184 HydrophobicContact CZ-CD2 3.61Å; F124-F184 AromaticContact CZ-CG 3.68Å; F124-F184 HydrophobicContact CZ-CG 3.68Å; L180-F184 HydrophobicContact CD2-CD2 4Å; L180-F184 HydrophobicContact CD2-CE2 4.3Å; L180-F184 CarbonylContact O-C 3.53Å; L180-F184 WeakPolarHBondContact O-CA 3.38Å; L180-F184 WeakPolarHBondContact O-CB 3.44Å; L180-F184 PolarHBondContact O-N 2.94Å; L180-F184 VanDerWaalsContact O-N 3.13Å; F184-S186 VanDerWaalsContact C-N 3.3Å; F184-S186 PolarHBondContact O-N 3.12Å; F184-F187 HydrophobicContact CB-CB 4.24Å; F184-F187 HydrophobicContact CB-CD2 4.09Å; F184-F187 HydrophobicContact CD1-CD2 4.44Å; F184-F187 PolarHBondContact O-N 2.66Å; F184-F187 VanDerWaalsContact O-N 3.16Å; F184-Q188 PolarHBondContact O-N 3.21Å; F184-V407 HydrophobicContact CE1-CG2 3.56Å; F184-V407 HydrophobicContact CE2-CG2 4.09Å; F184-V407 HydrophobicContact CZ-CG2 3.25Å
185P90.7Very high93.1Very high75 Ų7536.8 Ų36.849%0.48719%0.194SC..Hα-helixtrans-61.1-33.2-171.524-34.6000113.7Q189P185-Q189 WeakPolarHBondContact O-CB 3.37Å; P185-Q189 PolarHBondContact O-N 3.31Å
186S90.3Very high93.1Very high44 Ų4438.1 Ų38.131%0.30820%0.198SC..Hα-helixtrans-64.8-47.8175.251.40000112.4F184 Q189 A190 T219F184-S186 VanDerWaalsContact C-N 3.3Å; F184-S186 PolarHBondContact O-N 3.12Å; S186-Q189 PolarHBondContact O-N 2.96Å; S186-A190 PolarHBondContact O-N 2.72Å; S186-T219 VanDerWaalsContact O-CG2 3.22Å; S186-T219 WeakPolarHBondContact O-CG2 3.47Å
187F90.4Very high93.2Very high30 Ų3038.1 Ų38.113%0.13220%0.198CC..Hα-helixtrans-66.7-37.7177.9-66.9-82.6000112.1F113 F124 F184 G191F113-F187 HydrophobicContact CD2-CE2 4.22Å; F113-F187 HydrophobicContact CD2-CZ 4.01Å; F113-F187 HydrophobicContact CE2-CD2 4.36Å; F113-F187 HydrophobicContact CE2-CE1 4.46Å; F113-F187 AromaticContact CE2-CE2 3.45Å; F113-F187 HydrophobicContact CE2-CE2 3.45Å; F113-F187 VanDerWaalsContact CE2-CE2 3.45Å; F113-F187 AromaticContact CE2-CZ 3.51Å; F113-F187 HydrophobicContact CE2-CZ 3.51Å; F113-F187 HydrophobicContact CZ-CE2 4.07Å; F124-F187 HydrophobicContact CB-CB 4.4Å; F124-F187 HydrophobicContact CB-CD1 4.15Å; F124-F187 HydrophobicContact CD1-CB 3.59Å; F124-F187 HydrophobicContact CD1-CG 4.45Å; F124-F187 HydrophobicContact CD2-CB 3.99Å; F124-F187 HydrophobicContact CD2-CD1 4.21Å; F124-F187 HydrophobicContact CD2-CG 4.03Å; F124-F187 HydrophobicContact CE1-CB 3.72Å; F124-F187 HydrophobicContact CE2-CB 4.11Å; F124-F187 HydrophobicContact CE2-CG 4.3Å; F124-F187 HydrophobicContact CG-CB 3.73Å; F124-F187 HydrophobicContact CG-CD1 4.16Å; F124-F187 HydrophobicContact CG-CG 4.11Å; F124-F187 HydrophobicContact CZ-CB 3.98Å; F184-F187 HydrophobicContact CB-CB 4.24Å; F184-F187 HydrophobicContact CB-CD2 4.09Å; F184-F187 HydrophobicContact CD1-CD2 4.44Å; F184-F187 PolarHBondContact O-N 2.66Å; F184-F187 VanDerWaalsContact O-N 3.16Å; F187-G191 PolarHBondContact O-N 3.15Å
188Q91.4Very high93.2Very high56 Ų5639.5 Ų39.526%0.26220%0.203SC..Hα-helixtrans-58.5-52170.5-153.6-69.7-9.300110.3F126 A181 F184 A190 G191 R192F126-Q188 HydrophobicContact CE2-CG 4.39Å; F126-Q188 WeakPolarHBondContact CE2-O 3.41Å; A181-Q188 HydrophobicContact CB-CG 3.91Å; F184-Q188 PolarHBondContact O-N 3.21Å; Q188-A190 VanDerWaalsContact C-N 3.35Å; Q188-A190 PolarHBondContact O-N 2.67Å; Q188-G191 CarbonylContact O-C 3.6Å; Q188-G191 WeakPolarHBondContact O-CA 3.43Å; Q188-G191 PolarHBondContact O-N 3.42Å; Q188-R192 PolarHBondContact O-N 3.23Å
189Q93.6Very high93.2Very high54 Ų5437.4 Ų37.425%0.25219%0.193SC..Hα-helixtrans-59.9-42.4-178.1176.358.617.200112.3P185 S186 G191 R192 L193 T219P185-Q189 WeakPolarHBondContact O-CB 3.37Å; P185-Q189 PolarHBondContact O-N 3.31Å; S186-Q189 PolarHBondContact O-N 2.96Å; Q189-G191 VanDerWaalsContact C-N 3.34Å; Q189-R192 PolarHBondContact O-N 3.48Å; Q189-L193 HydrophobicContact CG-CD1 4.22Å; Q189-L193 WeakPolarHBondContact O-CG 3.45Å; Q189-L193 PolarHBondContact O-N 2.86Å; Q189-T219 HydrophobicContact CB-CG2 4.16Å; Q189-T219 HydrophobicContact CG-CG2 4.09Å
190A94.3Very high93.4Very high2 Ų238.9 Ų38.92%0.01720%0.201CC..Hα-helixtrans-61.3-41.9172.500000111.8S186 Q188 R192 L193 R194 T219 A220S186-A190 PolarHBondContact O-N 2.72Å; Q188-A190 VanDerWaalsContact C-N 3.35Å; Q188-A190 PolarHBondContact O-N 2.67Å; A190-R192 VanDerWaalsContact C-N 3.35Å; A190-R192 PolarHBondContact O-N 3.17Å; A190-L193 PolarHBondContact O-N 3.09Å; A190-R194 WeakPolarHBondContact O-CB 3.35Å; A190-R194 PolarHBondContact O-N 3.38Å; A190-T219 HydrophobicContact CB-CG2 4.38Å; A190-A220 HydrophobicContact CB-CB 3.49Å; A190-A220 VanDerWaalsContact CB-CB 3.49Å
191G93.8Very high93.6Very high1 Ų141.9 Ų41.91%0.0121%0.212CC..Hα-helixtrans-59.8-40.4172.400000113.5F126 F187 Q188 Q189 R194 R195F126-G191 WeakPolarHBondContact CE1-O 3.3Å; F126-G191 WeakPolarHBondContact CZ-O 3.46Å; F187-G191 PolarHBondContact O-N 3.15Å; Q188-G191 CarbonylContact O-C 3.6Å; Q188-G191 WeakPolarHBondContact O-CA 3.43Å; Q188-G191 PolarHBondContact O-N 3.42Å; Q189-G191 VanDerWaalsContact C-N 3.34Å; G191-R194 WeakPolarHBondContact O-CB 3.27Å; G191-R194 PolarHBondContact O-N 3.33Å; G191-R195 PolarHBondContact O-N 3.29Å
192R95Very high93.8Very high114 Ų11443.9 Ų43.943%0.4323%0.228SC..Hα-helixtrans-65.8-50.8176.8-177.5169.871.2115.2-17.5111.7F126 Q188 Q189 A190 R194 R195 E196F126-R192 HydrophobicContact CZ-CB 4.23Å; F126-R192 VanDerWaalsContact CZ-N 3.26Å; Q188-R192 PolarHBondContact O-N 3.23Å; Q189-R192 PolarHBondContact O-N 3.48Å; A190-R192 VanDerWaalsContact C-N 3.35Å; A190-R192 PolarHBondContact O-N 3.17Å; R192-R194 VanDerWaalsContact C-N 3.28Å; R192-R194 PolarHBondContact O-N 3.07Å; R192-R195 WeakPolarHBondContact O-CA 3.25Å; R192-R195 WeakPolarHBondContact O-CB 3.39Å; R192-R195 PolarHBondContact O-N 2.87Å; R192-E196 IonicContact NH1-OE1 2.75Å; R192-E196 PolarHBondContact O-N 2.7Å
193L96.7Very high94Very high5 Ų545.9 Ų45.93%0.02624%0.239CC..Hα-helixtrans-59.3-39.8174.6-69168.6000111.6Q189 A190 R195 E196 G197 K212 Q215 A216Q189-L193 HydrophobicContact CG-CD1 4.22Å; Q189-L193 WeakPolarHBondContact O-CG 3.45Å; Q189-L193 PolarHBondContact O-N 2.86Å; A190-L193 PolarHBondContact O-N 3.09Å; L193-R195 VanDerWaalsContact C-N 3.32Å; L193-R195 PolarHBondContact O-N 3.25Å; L193-E196 PolarHBondContact O-N 3.08Å; L193-G197 PolarHBondContact O-N 3.49Å; L193-K212 HydrophobicContact CD2-CD 3.84Å; L193-Q215 HydrophobicContact CD1-CB 3.9Å; L193-Q215 HydrophobicContact CD2-CB 4.35Å; L193-A216 HydrophobicContact CB-CB 3.77Å; L193-A216 HydrophobicContact CD1-CB 4.31Å
194R95.5Very high94.2Very high23 Ų2355.6 Ų55.69%0.08728%0.276CS..Hα-helixtrans-59.7-37.3172.5179.3174.272.1-173.85.4112.2S123 A190 G191 R192 N198 Y213 D223 L226S123-R194 PolarHBondContact OG-NH1 3.21Å; A190-R194 WeakPolarHBondContact O-CB 3.35Å; A190-R194 PolarHBondContact O-N 3.38Å; G191-R194 WeakPolarHBondContact O-CB 3.27Å; G191-R194 PolarHBondContact O-N 3.33Å; R192-R194 VanDerWaalsContact C-N 3.28Å; R192-R194 PolarHBondContact O-N 3.07Å; R194-N198 WeakPolarHBondContact O-CB 3.44Å; R194-N198 PolarHBondContact O-N 3.3Å; R194-N198 VanDerWaalsContact O-N 3.13Å; R194-N198 PolarHBondContact O-ND2 3.05Å; R194-Y213 HydrophobicContact CB-CE1 4.35Å; R194-Y213 HydrophobicContact CG-CE1 4.13Å; R194-Y213 PolarHBondContact O-OH 3.47Å; R194-D223 IonicContact CZ-OD2 3.92Å; R194-D223 IonicContact NH1-OD1 3.29Å; R194-D223 IonicContact NH1-OD2 3.91Å; R194-D223 PolarHBondContact NH1-OD2 3.01Å; R194-L226 HydrophobicContact CB-CD2 3.75Å; R194-L226 HydrophobicContact CG-CD2 3.95Å
195R94.4Very high94.6Very high88 Ų8860.3 Ų60.333%0.33230%0.296SS..Hα-helixtrans-69.4-47.8174.2176.7-179.4-63.81477.5111.7F126 E127 G191 R192 L193 G197 N198 G199F126-R195 HydrophobicContact CE1-CB 4.27Å; E127-R195 VanDerWaalsContact CD-CZ 3.44Å; E127-R195 IonicContact OE1-CZ 2.7Å; E127-R195 IonicContact OE1-NH1 2.71Å; E127-R195 PolarHBondContact OE1-NH1 3.23Å; E127-R195 IonicContact OE1-NH2 3.66Å; E127-R195 PolarHBondContact OE1-NH2 3.04Å; E127-R195 IonicContact OE2-CZ 3.14Å; E127-R195 IonicContact OE2-NH1 3.95Å; E127-R195 IonicContact OE2-NH2 2.74Å; E127-R195 PolarHBondContact OE2-NH2 3.25Å; G191-R195 PolarHBondContact O-N 3.29Å; R192-R195 WeakPolarHBondContact O-CA 3.25Å; R192-R195 WeakPolarHBondContact O-CB 3.39Å; R192-R195 PolarHBondContact O-N 2.87Å; L193-R195 VanDerWaalsContact C-N 3.32Å; L193-R195 PolarHBondContact O-N 3.25Å; R195-G197 VanDerWaalsContact C-N 3.35Å; R195-G197 PolarHBondContact O-N 3.5Å; R195-N198 PolarHBondContact O-N 3.05Å; R195-G199 PolarHBondContact O-N 3.06Å
196E96Very high94.8Very high60 Ų6058.5 Ų58.528%0.2828%0.282SS..Hα-helixtrans-57.7-47.6178-68.6173.5-157.500110.9R192 L193 N198 G199 L200 K212R192-E196 IonicContact NH1-OE1 2.75Å; R192-E196 PolarHBondContact O-N 2.7Å; L193-E196 PolarHBondContact O-N 3.08Å; E196-N198 PolarHBondContact O-N 3.37Å; E196-G199 PolarHBondContact O-N 3.34Å; E196-G199 VanDerWaalsContact O-N 3.14Å; E196-L200 WeakPolarHBondContact O-CG 3.44Å; E196-L200 PolarHBondContact O-N 3.39Å; E196-K212 HydrophobicContact CB-CD 4.31Å; E196-K212 HydrophobicContact CB-CG 4.44Å; E196-K212 VanDerWaalsContact OE2-CE 3.27Å; E196-K212 WeakPolarHBondContact OE2-CE 3.48Å; E196-K212 IonicContact OE2-NZ 3.39Å; E196-K212 PolarHBondContact OE2-NZ 3.15Å
197G96.9Very high95.1Very high0 Ų062.4 Ų62.40%030%0.295CS..Hα-helixtrans-61.4-40175.500000113.9L193 R195 G199 L200 Y201L193-G197 PolarHBondContact O-N 3.49Å; R195-G197 VanDerWaalsContact C-N 3.35Å; R195-G197 PolarHBondContact O-N 3.5Å; G197-G199 VanDerWaalsContact C-N 3.32Å; G197-G199 PolarHBondContact O-N 3.47Å; G197-L200 PolarHBondContact O-N 2.85Å; G197-Y201 WeakPolarHBondContact O-CB 3.42Å; G197-Y201 PolarHBondContact O-N 3.31Å
198N94.9Very high95.4Very high65 Ų6563.1 Ų63.135%0.34831%0.307SS..Hα-helixtrans-62.9-37.1173.3-82-60.8000112.1R194 R195 E196 A202 Y213 N229R194-N198 WeakPolarHBondContact O-CB 3.44Å; R194-N198 PolarHBondContact O-N 3.3Å; R194-N198 VanDerWaalsContact O-N 3.13Å; R194-N198 PolarHBondContact O-ND2 3.05Å; R195-N198 PolarHBondContact O-N 3.05Å; E196-N198 PolarHBondContact O-N 3.37Å; N198-A202 PolarHBondContact O-N 2.87Å; N198-A202 VanDerWaalsContact O-N 3.11Å; N198-Y213 VanDerWaalsContact CG-OH 3.22Å; N198-Y213 PolarHBondContact N-OH 2.84Å; N198-Y213 PolarHBondContact ND2-OH 2.76Å; N198-Y213 PolarHBondContact OD1-OH 3.39Å; N198-N229 PolarHBondContact OD1-ND2 3.15Å
199G95.8Very high95.7Very high32 Ų3260.5 Ų60.533%0.3329%0.294SS..Hα-helixtrans-66-51.1176.100000112R195 E196 G197 Y201 A202 E203R195-G199 PolarHBondContact O-N 3.06Å; E196-G199 PolarHBondContact O-N 3.34Å; E196-G199 VanDerWaalsContact O-N 3.14Å; G197-G199 VanDerWaalsContact C-N 3.32Å; G197-G199 PolarHBondContact O-N 3.47Å; G199-Y201 VanDerWaalsContact C-N 3.28Å; G199-Y201 PolarHBondContact O-N 3.26Å; G199-A202 WeakPolarHBondContact O-CB 3.48Å; G199-A202 PolarHBondContact O-N 3.15Å; G199-E203 PolarHBondContact O-N 2.97Å
200L97.3Very high95.8Very high35 Ų3559.3 Ų59.318%0.18329%0.29CS..Hα-helixtrans-59.2-37.7176.6-68.5167.9000112.4E196 G197 E203 R204 K205 A208 A209 K212E196-L200 WeakPolarHBondContact O-CG 3.44Å; E196-L200 PolarHBondContact O-N 3.39Å; G197-L200 PolarHBondContact O-N 2.85Å; L200-E203 CarbonylContact O-C 3.55Å; L200-E203 PolarHBondContact O-N 2.76Å; L200-R204 PolarHBondContact O-N 3.08Å; L200-K205 HydrophobicContact CB-CB 4.4Å; L200-K205 HydrophobicContact CD2-CB 4.33Å; L200-K205 HydrophobicContact CD2-CD 3.88Å; L200-K205 PolarHBondContact O-N 3.06Å; L200-A208 HydrophobicContact CD1-CB 4.03Å; L200-A208 HydrophobicContact CD2-CB 4.33Å; L200-A209 HydrophobicContact CB-CB 3.84Å; L200-K212 HydrophobicContact CD1-CG 3.79Å
201Y96Very high96Very high70 Ų7063.5 Ų63.528%0.27531%0.309SS..Hα-helixtrans-64.6-41174.1-175.6-102000112.4G197 G199 E203 R204 M206 Q232 I233 S236G197-Y201 WeakPolarHBondContact O-CB 3.42Å; G197-Y201 PolarHBondContact O-N 3.31Å; G199-Y201 VanDerWaalsContact C-N 3.28Å; G199-Y201 PolarHBondContact O-N 3.26Å; Y201-E203 VanDerWaalsContact C-N 3.29Å; Y201-E203 PolarHBondContact O-N 2.67Å; Y201-R204 WeakPolarHBondContact O-CA 3.35Å; Y201-R204 PolarHBondContact O-N 3.06Å; Y201-M206 HydrophobicContact CD2-CE 4.27Å; Y201-M206 HydrophobicContact CD2-SD 3.46Å; Y201-M206 WeakPolarHBondContact CD2-SD 3.33Å; Y201-M206 HydrophobicContact CE2-CE 3.92Å; Y201-M206 HydrophobicContact CE2-SD 3.48Å; Y201-M206 WeakPolarHBondContact CE2-SD 3.46Å; Y201-Q232 HydrophobicContact CE1-CG 4.39Å; Y201-Q232 HydrophobicContact CE2-CG 4.35Å; Y201-Q232 WeakPolarHBondContact OH-CG 3.49Å; Y201-Q232 PolarHBondContact OH-NE2 2.92Å; Y201-I233 HydrophobicContact CD2-CD1 4.43Å; Y201-I233 HydrophobicContact CD2-CG1 3.61Å; Y201-I233 HydrophobicContact CE2-CG1 3.93Å; Y201-I233 HydrophobicContact CG-CG1 4.48Å; Y201-S236 PolarHBondContact OH-OG 3.43Å; Y201-S236 VanDerWaalsContact OH-OG 3.08Å
202A94.9Very high96.2Very high81 Ų8166.1 Ų66.167%0.66932%0.32SS*.Hα-helixtrans-65.1-33.3174.400000112.4N198 G199 R204N198-A202 PolarHBondContact O-N 2.87Å; N198-A202 VanDerWaalsContact O-N 3.11Å; G199-A202 WeakPolarHBondContact O-CB 3.48Å; G199-A202 PolarHBondContact O-N 3.15Å; A202-R204 PolarHBondContact O-N 3.36Å
203E96.6Very high96.3Very high114 Ų11460.8 Ų60.853%0.53330%0.3SS..THydrogen-bonded Turntrans-75.41.9170.7-67.4176.2-153.800113.9G199 L200 Y201 K205G199-E203 PolarHBondContact O-N 2.97Å; L200-E203 CarbonylContact O-C 3.55Å; L200-E203 PolarHBondContact O-N 2.76Å; Y201-E203 VanDerWaalsContact C-N 3.29Å; Y201-E203 PolarHBondContact O-N 2.67Å; E203-K205 HydrophobicContact CB-CD 4.22Å; E203-K205 HydrophobicContact CB-CG 4.29Å; E203-K205 PolarHBondContact O-N 3.48Å; E203-K205 WeakPolarHBondContact OE2-CD 3.3Å; E203-K205 VanDerWaalsContact OE2-CE 3.3Å; E203-K205 WeakPolarHBondContact OE2-CE 3.5Å; E203-K205 IonicContact OE2-NZ 2.8Å; E203-K205 PolarHBondContact OE2-NZ 3.46Å
204R94.9Very high96.3Very high211 Ų21162.8 Ų62.880%0.79631%0.31SS*.THydrogen-bonded Turntrans62.117.4-175.5-52.1-178.1177.3-170.5-1.4115.4L200 Y201 A202 M206L200-R204 PolarHBondContact O-N 3.08Å; Y201-R204 WeakPolarHBondContact O-CA 3.35Å; Y201-R204 PolarHBondContact O-N 3.06Å; A202-R204 PolarHBondContact O-N 3.36Å; R204-M206 VanDerWaalsContact C-N 3.31Å; R204-M206 HydrophobicContact CB-CE 4.38Å; R204-M206 PolarHBondContact O-N 2.69Å; R204-M206 VanDerWaalsContact O-N 3.07Å
205K96.6Very high96.4Very high106 Ų10664.9 Ų64.946%0.46132%0.321SS..  trans-84.172.1175.7-65.4171.5-179.31650109.9L200 E203 E207 A208 A209L200-K205 HydrophobicContact CB-CB 4.4Å; L200-K205 HydrophobicContact CD2-CB 4.33Å; L200-K205 HydrophobicContact CD2-CD 3.88Å; L200-K205 PolarHBondContact O-N 3.06Å; E203-K205 HydrophobicContact CB-CD 4.22Å; E203-K205 HydrophobicContact CB-CG 4.29Å; E203-K205 PolarHBondContact O-N 3.48Å; E203-K205 WeakPolarHBondContact OE2-CD 3.3Å; E203-K205 VanDerWaalsContact OE2-CE 3.3Å; E203-K205 WeakPolarHBondContact OE2-CE 3.5Å; E203-K205 IonicContact OE2-NZ 2.8Å; E203-K205 PolarHBondContact OE2-NZ 3.46Å; K205-E207 PolarHBondContact O-N 3.32Å; K205-A208 HydrophobicContact CB-CB 4.24Å; K205-A208 PolarHBondContact O-N 3.43Å; K205-A209 WeakPolarHBondContact O-CB 3.4Å; K205-A209 PolarHBondContact O-N 3.39Å
206M96.1Very high96.5Very high37 Ų3760.7 Ų60.718%0.18231%0.306CS..Hα-helixtrans-61.3-42.9-166.6-60.2-55-179.400113.5Y201 R204 A209 L210 I233 L237Y201-M206 HydrophobicContact CD2-CE 4.27Å; Y201-M206 HydrophobicContact CD2-SD 3.46Å; Y201-M206 WeakPolarHBondContact CD2-SD 3.33Å; Y201-M206 HydrophobicContact CE2-CE 3.92Å; Y201-M206 HydrophobicContact CE2-SD 3.48Å; Y201-M206 WeakPolarHBondContact CE2-SD 3.46Å; R204-M206 VanDerWaalsContact C-N 3.31Å; R204-M206 HydrophobicContact CB-CE 4.38Å; R204-M206 PolarHBondContact O-N 2.69Å; R204-M206 VanDerWaalsContact O-N 3.07Å; M206-A209 PolarHBondContact O-N 3.4Å; M206-L210 WeakPolarHBondContact O-CB 3.44Å; M206-L210 PolarHBondContact O-N 3.11Å; M206-I233 HydrophobicContact CB-CG2 4.44Å; M206-I233 WeakPolarHBondContact O-CG2 3.42Å; M206-L237 HydrophobicContact CB-CD1 4.46Å; M206-L237 HydrophobicContact CB-CD2 3.7Å; M206-L237 HydrophobicContact CB-CG 4.11Å; M206-L237 HydrophobicContact CG-CD2 4.31Å
207E95.4Very high96.5Very high126 Ų12658.7 Ų58.759%0.58930%0.297SS*.Hα-helixtrans-70.1-41.7-177.4-60.270.5-156.100111.1K205 A209 L210 E211 L237K205-E207 PolarHBondContact O-N 3.32Å; E207-A209 VanDerWaalsContact C-N 3.34Å; E207-L210 WeakPolarHBondContact O-CB 3.46Å; E207-L210 PolarHBondContact O-N 2.75Å; E207-E211 PolarHBondContact O-N 3.02Å; E207-L237 WeakPolarHBondContact OE1-CD2 3.31Å
208A96.6Very high96.4Very high46 Ų4665 Ų6538%0.3833%0.33SS..Hα-helixtrans-67.4-36.117500000111.7L200 K205 K212L200-A208 HydrophobicContact CD1-CB 4.03Å; L200-A208 HydrophobicContact CD2-CB 4.33Å; K205-A208 HydrophobicContact CB-CB 4.24Å; K205-A208 PolarHBondContact O-N 3.43Å; A208-K212 WeakPolarHBondContact O-CG 3.48Å; A208-K212 PolarHBondContact O-N 3.38Å
209A97.8Very high96.2Very high0 Ų064.1 Ų64.10%033%0.327CS..Hα-helixtrans-65.4-44.8172.600000111.4L200 K205 M206 E207 E211 K212 Y213 I233L200-A209 HydrophobicContact CB-CB 3.84Å; K205-A209 WeakPolarHBondContact O-CB 3.4Å; K205-A209 PolarHBondContact O-N 3.39Å; M206-A209 PolarHBondContact O-N 3.4Å; E207-A209 VanDerWaalsContact C-N 3.34Å; A209-E211 VanDerWaalsContact C-N 3.32Å; A209-E211 PolarHBondContact O-N 2.91Å; A209-K212 PolarHBondContact O-N 3.18Å; A209-Y213 WeakPolarHBondContact O-CD2 3.04Å; A209-Y213 PolarHBondContact O-N 3.44Å; A209-Y213 VanDerWaalsContact O-N 3.08Å; A209-I233 HydrophobicContact CB-CD1 3.84Å
210L97.4Very high96Very high29 Ų2962.8 Ų62.815%0.15231%0.313CS..Hα-helixtrans-55.5-46.9176.9177.456000111.3M206 E207 K212 Y213 N214 R230 I233 L237M206-L210 WeakPolarHBondContact O-CB 3.44Å; M206-L210 PolarHBondContact O-N 3.11Å; E207-L210 WeakPolarHBondContact O-CB 3.46Å; E207-L210 PolarHBondContact O-N 2.75Å; L210-K212 PolarHBondContact O-N 3.09Å; L210-Y213 PolarHBondContact O-N 3.01Å; L210-Y213 VanDerWaalsContact O-N 3.08Å; L210-N214 PolarHBondContact O-N 2.84Å; L210-R230 HydrophobicContact CD1-CG 3.45Å; L210-R230 VanDerWaalsContact CD1-CG 3.45Å; L210-I233 HydrophobicContact CB-CG2 3.96Å; L210-L237 HydrophobicContact CD2-CD1 4.14Å
211E97.3Very high95.7Very high91 Ų9164.4 Ų64.443%0.42533%0.325SS..Hα-helixtrans-62.6-40.1179.1179.949.3-151.400112.6E207 A209 Y213 N214 Q215E207-E211 PolarHBondContact O-N 3.02Å; A209-E211 VanDerWaalsContact C-N 3.32Å; A209-E211 PolarHBondContact O-N 2.91Å; E211-Y213 VanDerWaalsContact C-N 3.3Å; E211-Y213 PolarHBondContact O-N 3.34Å; E211-N214 WeakPolarHBondContact O-CB 3.27Å; E211-N214 PolarHBondContact O-N 2.93Å; E211-Q215 WeakPolarHBondContact O-CG 3.48Å; E211-Q215 PolarHBondContact O-N 3.3Å; E211-Q215 PolarHBondContact OE1-NE2 2.66Å
212K98Very high95.4Very high56 Ų5664.2 Ų64.224%0.24333%0.331CS..Hα-helixtrans-62.6-34.6172.7-69.5-67.4179.9170.30113L193 E196 L200 A208 A209 L210 A216L193-K212 HydrophobicContact CD2-CD 3.84Å; E196-K212 HydrophobicContact CB-CD 4.31Å; E196-K212 HydrophobicContact CB-CG 4.44Å; E196-K212 VanDerWaalsContact OE2-CE 3.27Å; E196-K212 WeakPolarHBondContact OE2-CE 3.48Å; E196-K212 IonicContact OE2-NZ 3.39Å; E196-K212 PolarHBondContact OE2-NZ 3.15Å; L200-K212 HydrophobicContact CD1-CG 3.79Å; A208-K212 WeakPolarHBondContact O-CG 3.48Å; A208-K212 PolarHBondContact O-N 3.38Å; A209-K212 PolarHBondContact O-N 3.18Å; L210-K212 PolarHBondContact O-N 3.09Å; K212-A216 WeakPolarHBondContact O-CB 3.38Å; K212-A216 PolarHBondContact O-N 3.14Å
213Y97.4Very high95.2Very high2 Ų261 Ų611%0.00830%0.303CS..Hα-helixtrans-73.4-34.5173.9-79-70000113.3R194 N198 A209 L210 E211 A216 I217 L226 N229 R230 I233R194-Y213 HydrophobicContact CB-CE1 4.35Å; R194-Y213 HydrophobicContact CG-CE1 4.13Å; R194-Y213 PolarHBondContact O-OH 3.47Å; N198-Y213 VanDerWaalsContact CG-OH 3.22Å; N198-Y213 PolarHBondContact N-OH 2.84Å; N198-Y213 PolarHBondContact ND2-OH 2.76Å; N198-Y213 PolarHBondContact OD1-OH 3.39Å; A209-Y213 WeakPolarHBondContact O-CD2 3.04Å; A209-Y213 PolarHBondContact O-N 3.44Å; A209-Y213 VanDerWaalsContact O-N 3.08Å; L210-Y213 PolarHBondContact O-N 3.01Å; L210-Y213 VanDerWaalsContact O-N 3.08Å; E211-Y213 VanDerWaalsContact C-N 3.3Å; E211-Y213 PolarHBondContact O-N 3.34Å; Y213-A216 PolarHBondContact O-N 3.43Å; Y213-I217 WeakPolarHBondContact O-CB 3.47Å; Y213-I217 VanDerWaalsContact O-CG1 3.28Å; Y213-I217 WeakPolarHBondContact O-CG1 3.34Å; Y213-I217 PolarHBondContact O-N 3.4Å; Y213-L226 HydrophobicContact CD1-CB 4.38Å; Y213-L226 HydrophobicContact CD1-CD2 4.11Å; Y213-L226 HydrophobicContact CE1-CD2 4.1Å; Y213-N229 HydrophobicContact CD1-CB 4.17Å; Y213-N229 HydrophobicContact CE1-CB 3.58Å; Y213-N229 HydrophobicContact CE2-CB 4.11Å; Y213-N229 PolarHBondContact OH-ND2 3.25Å; Y213-R230 HydrophobicContact CG-CB 4.46Å; Y213-I233 HydrophobicContact CD2-CD1 3.28Å; Y213-I233 HydrophobicContact CE2-CD1 3.58Å; Y213-I233 HydrophobicContact CG-CD1 4.36Å
214N97.3Very high95.1Very high46 Ų4655.9 Ų55.925%0.24628%0.279CS..Hα-helixtrans-59.6-49.2171.9-66.9-24.1000110.8L210 E211 A216 I217 L218 R230L210-N214 PolarHBondContact O-N 2.84Å; E211-N214 WeakPolarHBondContact O-CB 3.27Å; E211-N214 PolarHBondContact O-N 2.93Å; N214-A216 VanDerWaalsContact C-N 3.32Å; N214-A216 PolarHBondContact O-N 2.89Å; N214-I217 PolarHBondContact O-N 2.98Å; N214-L218 WeakPolarHBondContact O-CG 3.3Å; N214-L218 PolarHBondContact O-N 2.98Å; N214-R230 WeakPolarHBondContact OD1-CD 3.45Å; N214-R230 PolarHBondContact OD1-NH1 3.33Å
215Q97Very high95.1Very high68 Ų6846.6 Ų46.632%0.31825%0.245SC..Hα-helixtrans-59.9-40.1175.5-66.5171.11300112.3L193 E211 T219L193-Q215 HydrophobicContact CD1-CB 3.9Å; L193-Q215 HydrophobicContact CD2-CB 4.35Å; E211-Q215 WeakPolarHBondContact O-CG 3.48Å; E211-Q215 PolarHBondContact O-N 3.3Å; E211-Q215 PolarHBondContact OE1-NE2 2.66Å; Q215-T219 PolarHBondContact O-N 3.45Å; Q215-T219 PolarHBondContact O-OG1 3.29Å
216A96Very high95.1Very high0 Ų041.6 Ų41.60%022%0.223CC..Hα-helixtrans-65.1-43.4177.300000111.9L193 K212 Y213 N214 T219 A220 L226L193-A216 HydrophobicContact CB-CB 3.77Å; L193-A216 HydrophobicContact CD1-CB 4.31Å; K212-A216 WeakPolarHBondContact O-CB 3.38Å; K212-A216 PolarHBondContact O-N 3.14Å; Y213-A216 PolarHBondContact O-N 3.43Å; N214-A216 VanDerWaalsContact C-N 3.32Å; N214-A216 PolarHBondContact O-N 2.89Å; A216-T219 WeakPolarHBondContact O-CA 3.48Å; A216-T219 WeakPolarHBondContact O-CB 3.43Å; A216-T219 PolarHBondContact O-N 3.07Å; A216-A220 PolarHBondContact O-N 3.11Å; A216-L226 HydrophobicContact CB-CD1 3.76Å; A216-L226 HydrophobicContact CB-CD2 3.81Å; A216-L226 HydrophobicContact CB-CG 4.36Å; A216-L226 WeakPolarHBondContact O-CD1 3.36Å
217I95.6Very high95.2Very high18 Ų1840.7 Ų40.79%0.09222%0.218CC..Hα-helixtrans-67.4-36.5-179.5-70.9166.6000111.2Y213 N214 T219 A220 P221 L226 F227 R230Y213-I217 WeakPolarHBondContact O-CB 3.47Å; Y213-I217 VanDerWaalsContact O-CG1 3.28Å; Y213-I217 WeakPolarHBondContact O-CG1 3.34Å; Y213-I217 PolarHBondContact O-N 3.4Å; N214-I217 PolarHBondContact O-N 2.98Å; I217-T219 PolarHBondContact O-N 3.49Å; I217-A220 CarbonylContact O-C 3.52Å; I217-A220 PolarHBondContact O-N 3.32Å; I217-P221 VanDerWaalsContact O-CA 3.22Å; I217-P221 WeakPolarHBondContact O-CA 3.35Å; I217-P221 VanDerWaalsContact O-N 3.1Å; I217-L226 HydrophobicContact CD1-CB 4.14Å; I217-L226 HydrophobicContact CG1-CB 3.53Å; I217-L226 HydrophobicContact CG1-CD1 4.06Å; I217-L226 HydrophobicContact CG1-CG 4.45Å; I217-F227 HydrophobicContact CD1-CD1 4.04Å; I217-F227 HydrophobicContact CD1-CE1 4.1Å; I217-F227 HydrophobicContact CD1-CG 4.35Å; I217-F227 HydrophobicContact CD1-CZ 4.45Å; I217-F227 HydrophobicContact CG1-CE1 4.5Å; I217-F227 HydrophobicContact CG1-CE2 4.45Å; I217-F227 HydrophobicContact CG1-CZ 4.37Å; I217-F227 HydrophobicContact CG2-CE1 3.91Å; I217-F227 HydrophobicContact CG2-CE2 4.28Å; I217-F227 HydrophobicContact CG2-CZ 3.58Å; I217-R230 HydrophobicContact CD1-CB 4.41Å; I217-R230 VanDerWaalsContact CD1-CZ 3.43Å
218L94.9Very high95.2Very high133 Ų13334.7 Ų34.770%0.69619%0.19SC*.Hα-helixtrans-62.3-28.7170.9-69.2172.4000112.6N214N214-L218 WeakPolarHBondContact O-CG 3.3Å; N214-L218 PolarHBondContact O-N 2.98Å
219T92.5Very high95.2Very high46 Ų4633.4 Ų33.428%0.28218%0.177SC..Hα-helixtrans-85.5-37.5-179.9-49.50000112.5S186 Q189 A190 Q215 A216 I217S186-T219 VanDerWaalsContact O-CG2 3.22Å; S186-T219 WeakPolarHBondContact O-CG2 3.47Å; Q189-T219 HydrophobicContact CB-CG2 4.16Å; Q189-T219 HydrophobicContact CG-CG2 4.09Å; A190-T219 HydrophobicContact CB-CG2 4.38Å; Q215-T219 PolarHBondContact O-N 3.45Å; Q215-T219 PolarHBondContact O-OG1 3.29Å; A216-T219 WeakPolarHBondContact O-CA 3.48Å; A216-T219 WeakPolarHBondContact O-CB 3.43Å; A216-T219 PolarHBondContact O-N 3.07Å; I217-T219 PolarHBondContact O-N 3.49Å
220A90.4Very high95.2Very high4 Ų435.5 Ų35.53%0.03319%0.185CC..  trans-138.277.7-179.100000110.8A190 A216 I217 T222 D223 L226A190-A220 HydrophobicContact CB-CB 3.49Å; A190-A220 VanDerWaalsContact CB-CB 3.49Å; A216-A220 PolarHBondContact O-N 3.11Å; I217-A220 CarbonylContact O-C 3.52Å; I217-A220 PolarHBondContact O-N 3.32Å; A220-T222 PolarHBondContact O-N 2.95Å; A220-D223 HydrophobicContact CB-CB 4.35Å; A220-D223 PolarHBondContact O-N 3.4Å; A220-L226 HydrophobicContact CB-CD1 4.33Å
221P91.8Very high95.2Very high68 Ų6834.2 Ų34.244%0.44218%0.178SC..THydrogen-bonded Turntrans-69.3-3.6-173.428.2-36.3000114.3I217 F227I217-P221 VanDerWaalsContact O-CA 3.22Å; I217-P221 WeakPolarHBondContact O-CA 3.35Å; I217-P221 VanDerWaalsContact O-N 3.1Å; P221-F227 WeakPolarHBondContact O-CE2 3.42Å
222T89.6Confident95.2Very high66 Ų6631.6 Ų31.641%0.40517%0.166SC..THydrogen-bonded Turntrans-105.4-6.8177.953.30000113.8A220 H224A220-T222 PolarHBondContact O-N 2.95Å; T222-H224 PolarHBondContact O-N 3.41Å
223D90.8Very high95.2Very high13 Ų1329 Ų297%0.0716%0.155CC..  trans-76.893.9176.3-177.820.5000110.9S123 R194 A220 I225 L226S123-D223 WeakPolarHBondContact CB-OD1 3.31Å; S123-D223 PolarHBondContact OG-OD1 3.45Å; S123-D223 PolarHBondContact OG-OD2 2.91Å; R194-D223 IonicContact CZ-OD2 3.92Å; R194-D223 IonicContact NH1-OD1 3.29Å; R194-D223 IonicContact NH1-OD2 3.91Å; R194-D223 PolarHBondContact NH1-OD2 3.01Å; A220-D223 HydrophobicContact CB-CB 4.35Å; A220-D223 PolarHBondContact O-N 3.4Å; D223-I225 PolarHBondContact O-N 3.28Å; D223-I225 WeakPolarHBondContact OD1-CB 3.49Å; D223-I225 PolarHBondContact OD1-N 3.17Å; D223-L226 HydrophobicContact CB-CD1 3.87Å; D223-L226 HydrophobicContact CB-CG 3.84Å; D223-L226 WeakPolarHBondContact O-CB 3.32Å; D223-L226 PolarHBondContact O-N 3.33Å; D223-L226 WeakPolarHBondContact OD2-CG 3.3Å
224H93.9Very high95.2Very high8 Ų829.6 Ų29.64%0.03716%0.158CC..Hα-helixtrans-47.4-30.1175.770.3-67.7000114.5C121 L122 S123 T222 L226 F227 S228 S250 L253 M254 W257C121-H224 PolarHBondContact O-NE2 2.95Å; L122-H224 PolarHBondContact O-NE2 3.33Å; S123-H224 WeakPolarHBondContact CA-NE2 3.49Å; S123-H224 WeakPolarHBondContact CB-NE2 3.27Å; S123-H224 PolarHBondContact N-NE2 2.87Å; T222-H224 PolarHBondContact O-N 3.41Å; H224-L226 VanDerWaalsContact C-N 3.28Å; H224-L226 PolarHBondContact O-N 2.95Å; H224-F227 PolarHBondContact O-N 3.45Å; H224-S228 WeakPolarHBondContact O-CB 3.5Å; H224-S228 PolarHBondContact O-N 3.37Å; H224-S250 PolarHBondContact O-OG 3.05Å; H224-S250 VanDerWaalsContact O-OG 3.08Å; H224-L253 HydrophobicContact CB-CB 3.76Å; H224-L253 HydrophobicContact CB-CD1 4.33Å; H224-M254 HydrophobicContact CB-CB 4.08Å; H224-M254 HydrophobicContact CB-CG 3.92Å; H224-M254 VanDerWaalsContact CG-CG 3.41Å; H224-M254 WeakPolarHBondContact ND1-CG 3.47Å; H224-W257 AromaticContact CD2-CD2 3.55Å; H224-W257 AromaticContact CD2-CE3 3.35Å; H224-W257 AromaticContact CD2-CG 4Å; H224-W257 AromaticContact CD2-CZ3 3.76Å
225I94.6Very high95.1Very high16 Ų1628.7 Ų28.78%0.08216%0.155CC..Hα-helixtrans-64.7-33.5177.9-57.5-173.4000111.5C121 D223 S228 N229 W257C121-I225 HydrophobicContact CB-CD1 3.61Å; C121-I225 WeakPolarHBondContact O-CD1 3.48Å; D223-I225 PolarHBondContact O-N 3.28Å; D223-I225 WeakPolarHBondContact OD1-CB 3.49Å; D223-I225 PolarHBondContact OD1-N 3.17Å; I225-S228 PolarHBondContact O-N 3.49Å; I225-N229 WeakPolarHBondContact O-CB 3.46Å; I225-N229 PolarHBondContact O-N 3.3Å; I225-W257 HydrophobicContact CD1-CZ2 4.5Å; I225-W257 HydrophobicContact CG1-CH2 4.13Å; I225-W257 HydrophobicContact CG1-CZ2 4.06Å
226L96.4Very high95Very high0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-65.7-46.7-179.5-55.7179.2000110.7R194 Y213 A216 I217 A220 D223 H224 N229 R230R194-L226 HydrophobicContact CB-CD2 3.75Å; R194-L226 HydrophobicContact CG-CD2 3.95Å; Y213-L226 HydrophobicContact CD1-CB 4.38Å; Y213-L226 HydrophobicContact CD1-CD2 4.11Å; Y213-L226 HydrophobicContact CE1-CD2 4.1Å; A216-L226 HydrophobicContact CB-CD1 3.76Å; A216-L226 HydrophobicContact CB-CD2 3.81Å; A216-L226 HydrophobicContact CB-CG 4.36Å; A216-L226 WeakPolarHBondContact O-CD1 3.36Å; I217-L226 HydrophobicContact CD1-CB 4.14Å; I217-L226 HydrophobicContact CG1-CB 3.53Å; I217-L226 HydrophobicContact CG1-CD1 4.06Å; I217-L226 HydrophobicContact CG1-CG 4.45Å; A220-L226 HydrophobicContact CB-CD1 4.33Å; D223-L226 HydrophobicContact CB-CD1 3.87Å; D223-L226 HydrophobicContact CB-CG 3.84Å; D223-L226 WeakPolarHBondContact O-CB 3.32Å; D223-L226 PolarHBondContact O-N 3.33Å; D223-L226 WeakPolarHBondContact OD2-CG 3.3Å; H224-L226 VanDerWaalsContact C-N 3.28Å; H224-L226 PolarHBondContact O-N 2.95Å; L226-N229 PolarHBondContact O-N 3.35Å; L226-R230 WeakPolarHBondContact O-CB 3.09Å; L226-R230 PolarHBondContact O-N 3.38Å
227F97.6Very high95Very high18 Ų1829.5 Ų29.58%0.07917%0.165CC..Hα-helixtrans-62.4-43.2173.5-62.6-86.1000111.5I217 P221 H224 N229 R230 S231 D246 T249 L253I217-F227 HydrophobicContact CD1-CD1 4.04Å; I217-F227 HydrophobicContact CD1-CE1 4.1Å; I217-F227 HydrophobicContact CD1-CG 4.35Å; I217-F227 HydrophobicContact CD1-CZ 4.45Å; I217-F227 HydrophobicContact CG1-CE1 4.5Å; I217-F227 HydrophobicContact CG1-CE2 4.45Å; I217-F227 HydrophobicContact CG1-CZ 4.37Å; I217-F227 HydrophobicContact CG2-CE1 3.91Å; I217-F227 HydrophobicContact CG2-CE2 4.28Å; I217-F227 HydrophobicContact CG2-CZ 3.58Å; P221-F227 WeakPolarHBondContact O-CE2 3.42Å; H224-F227 PolarHBondContact O-N 3.45Å; F227-N229 VanDerWaalsContact C-N 3.32Å; F227-N229 PolarHBondContact O-N 3.02Å; F227-R230 PolarHBondContact O-N 3.06Å; F227-S231 VanDerWaalsContact O-CB 3.25Å; F227-S231 WeakPolarHBondContact O-CB 3.41Å; F227-S231 PolarHBondContact O-N 3.4Å; F227-D246 HydrophobicContact CB-CB 4.46Å; F227-D246 WeakPolarHBondContact CB-O 3.29Å; F227-T249 HydrophobicContact CD1-CG2 3.73Å; F227-T249 HydrophobicContact CD2-CG2 4.25Å; F227-T249 HydrophobicContact CE1-CG2 3.73Å; F227-T249 HydrophobicContact CE2-CG2 4.26Å; F227-T249 HydrophobicContact CG-CG2 4Å; F227-T249 HydrophobicContact CZ-CG2 3.99Å; F227-L253 HydrophobicContact CD2-CD1 3.61Å; F227-L253 HydrophobicContact CE2-CD1 3.56Å; F227-L253 HydrophobicContact CZ-CD1 4.48Å
228S97.1Very high94.9Very high0 Ų036.4 Ų36.40%019%0.194CC..Hα-helixtrans-59.3-39.4176-170.40000113.8H224 I225 Q232 W257 R263H224-S228 WeakPolarHBondContact O-CB 3.5Å; H224-S228 PolarHBondContact O-N 3.37Å; I225-S228 PolarHBondContact O-N 3.49Å; S228-Q232 PolarHBondContact O-N 3.28Å; S228-W257 VanDerWaalsContact CB-CZ3 3.48Å; S228-W257 WeakPolarHBondContact OG-CH2 3.5Å; S228-W257 VanDerWaalsContact OG-CZ3 3.29Å; S228-W257 WeakPolarHBondContact OG-CZ3 3.07Å; S228-R263 VanDerWaalsContact OG-CG 3.27Å; S228-R263 WeakPolarHBondContact OG-CG 3.44Å
229N96.4Very high95Very high20 Ų2034.7 Ų34.711%0.10718%0.182CC..Hα-helixtrans-76.1-38.8177-83.713000112N198 Y213 I225 L226 F227 Q232 I233N198-N229 PolarHBondContact OD1-ND2 3.15Å; Y213-N229 HydrophobicContact CD1-CB 4.17Å; Y213-N229 HydrophobicContact CE1-CB 3.58Å; Y213-N229 HydrophobicContact CE2-CB 4.11Å; Y213-N229 PolarHBondContact OH-ND2 3.25Å; I225-N229 WeakPolarHBondContact O-CB 3.46Å; I225-N229 PolarHBondContact O-N 3.3Å; L226-N229 PolarHBondContact O-N 3.35Å; F227-N229 VanDerWaalsContact C-N 3.32Å; F227-N229 PolarHBondContact O-N 3.02Å; N229-Q232 WeakPolarHBondContact O-CB 3.25Å; N229-Q232 PolarHBondContact O-N 3.34Å; N229-I233 WeakPolarHBondContact O-CG1 3.39Å; N229-I233 PolarHBondContact O-N 3.48Å; N229-I233 VanDerWaalsContact O-N 3.15Å
230R97.9Very high95.2Very high43 Ų4334.7 Ų34.716%0.16218%0.179CC..Hα-helixtrans-66.8-38.2175.7-164.8175.267.8178.8-3.3112.1L210 Y213 N214 I217 L226 F227 Q232 I233 H234 D246L210-R230 HydrophobicContact CD1-CG 3.45Å; L210-R230 VanDerWaalsContact CD1-CG 3.45Å; Y213-R230 HydrophobicContact CG-CB 4.46Å; N214-R230 WeakPolarHBondContact OD1-CD 3.45Å; N214-R230 PolarHBondContact OD1-NH1 3.33Å; I217-R230 HydrophobicContact CD1-CB 4.41Å; I217-R230 VanDerWaalsContact CD1-CZ 3.43Å; L226-R230 WeakPolarHBondContact O-CB 3.09Å; L226-R230 PolarHBondContact O-N 3.38Å; F227-R230 PolarHBondContact O-N 3.06Å; R230-Q232 VanDerWaalsContact C-N 3.33Å; R230-Q232 PolarHBondContact O-N 3.35Å; R230-I233 WeakPolarHBondContact O-CB 3.29Å; R230-I233 PolarHBondContact O-N 2.77Å; R230-H234 PolarHBondContact O-CD2 2.9Å; R230-H234 PolarHBondContact O-N 2.89Å; R230-D246 VanDerWaalsContact CB-OD2 3.3Å; R230-D246 WeakPolarHBondContact CB-OD2 3.31Å; R230-D246 VanDerWaalsContact CG-OD2 3.3Å; R230-D246 WeakPolarHBondContact CG-OD2 3.43Å; R230-D246 IonicContact CZ-OD1 3.22Å; R230-D246 IonicContact CZ-OD2 2.74Å; R230-D246 IonicContact NE-OD1 2.83Å; R230-D246 PolarHBondContact NE-OD1 3.26Å; R230-D246 IonicContact NE-OD2 2.73Å; R230-D246 PolarHBondContact NE-OD2 3.25Å; R230-D246 IonicContact NH2-OD1 3.88Å; R230-D246 PolarHBondContact NH2-OD1 3.45Å; R230-D246 IonicContact NH2-OD2 3.24Å
231S97.7Very high95.4Very high2 Ų239.1 Ų39.11%0.01420%0.202CC..Hα-helixtrans-53.4-47.2169.1173.30000112F227 I233 H234 S235 A243 D246F227-S231 VanDerWaalsContact O-CB 3.25Å; F227-S231 WeakPolarHBondContact O-CB 3.41Å; F227-S231 PolarHBondContact O-N 3.4Å; S231-I233 VanDerWaalsContact C-N 3.31Å; S231-I233 PolarHBondContact O-N 3.43Å; S231-H234 PolarHBondContact O-N 2.8Å; S231-S235 WeakPolarHBondContact O-CB 3.28Å; S231-S235 PolarHBondContact O-N 3.47Å; S231-A243 WeakPolarHBondContact CB-O 3.47Å; S231-A243 WeakPolarHBondContact O-CB 3.4Å; S231-A243 PolarHBondContact OG-O 2.87Å; S231-D246 PolarHBondContact N-OD2 2.94Å
232Q96.4Very high95.7Very high36 Ų3641.6 Ų41.617%0.16820%0.203CC..Hα-helixtrans-62.4-37.2176.3176.261.650.200112.5Y201 S228 N229 R230 S236Y201-Q232 HydrophobicContact CE1-CG 4.39Å; Y201-Q232 HydrophobicContact CE2-CG 4.35Å; Y201-Q232 WeakPolarHBondContact OH-CG 3.49Å; Y201-Q232 PolarHBondContact OH-NE2 2.92Å; S228-Q232 PolarHBondContact O-N 3.28Å; N229-Q232 WeakPolarHBondContact O-CB 3.25Å; N229-Q232 PolarHBondContact O-N 3.34Å; R230-Q232 VanDerWaalsContact C-N 3.33Å; R230-Q232 PolarHBondContact O-N 3.35Å; Q232-S236 PolarHBondContact NE2-OG 3.43Å; Q232-S236 WeakPolarHBondContact O-CB 3.5Å; Q232-S236 PolarHBondContact O-N 3.36Å; Q232-S236 PolarHBondContact O-OG 3.01Å
233I97.1Very high96.1Very high2 Ų238.5 Ų38.51%0.0118%0.184CC..Hα-helixtrans-67.6-47.5176.4-65.3163.2000110.1Y201 M206 A209 L210 Y213 N229 R230 S231 S235 S236 L237Y201-I233 HydrophobicContact CD2-CD1 4.43Å; Y201-I233 HydrophobicContact CD2-CG1 3.61Å; Y201-I233 HydrophobicContact CE2-CG1 3.93Å; Y201-I233 HydrophobicContact CG-CG1 4.48Å; M206-I233 HydrophobicContact CB-CG2 4.44Å; M206-I233 WeakPolarHBondContact O-CG2 3.42Å; A209-I233 HydrophobicContact CB-CD1 3.84Å; L210-I233 HydrophobicContact CB-CG2 3.96Å; Y213-I233 HydrophobicContact CD2-CD1 3.28Å; Y213-I233 HydrophobicContact CE2-CD1 3.58Å; Y213-I233 HydrophobicContact CG-CD1 4.36Å; N229-I233 WeakPolarHBondContact O-CG1 3.39Å; N229-I233 PolarHBondContact O-N 3.48Å; N229-I233 VanDerWaalsContact O-N 3.15Å; R230-I233 WeakPolarHBondContact O-CB 3.29Å; R230-I233 PolarHBondContact O-N 2.77Å; S231-I233 VanDerWaalsContact C-N 3.31Å; S231-I233 PolarHBondContact O-N 3.43Å; I233-S235 VanDerWaalsContact C-N 3.31Å; I233-S235 PolarHBondContact O-N 2.65Å; I233-S236 CarbonylContact O-C 3.57Å; I233-S236 WeakPolarHBondContact O-CA 3.3Å; I233-S236 WeakPolarHBondContact O-CB 2.94Å; I233-S236 PolarHBondContact O-N 3.38Å; I233-L237 HydrophobicContact CG2-CD1 4Å; I233-L237 HydrophobicContact CG2-CG 4.49Å; I233-L237 WeakPolarHBondContact O-CG 3.44Å; I233-L237 PolarHBondContact O-N 2.72Å
234H97.8Very high96.4Very high15 Ų1538.5 Ų38.57%0.06918%0.184CC..Hα-helixtrans-58.3-41.1174.4-77.7-52.8000112.6R230 S231 S236 L237 K238 H239 W242 A243 D246R230-H234 PolarHBondContact O-CD2 2.9Å; R230-H234 PolarHBondContact O-N 2.89Å; S231-H234 PolarHBondContact O-N 2.8Å; H234-S236 VanDerWaalsContact C-N 3.3Å; H234-S236 PolarHBondContact O-N 3.08Å; H234-L237 CarbonylContact O-C 3.51Å; H234-L237 PolarHBondContact O-N 3.18Å; H234-K238 PolarHBondContact O-N 3.34Å; H234-K238 VanDerWaalsContact O-N 3.12Å; H234-H239 HydrophobicContact CB-CB 4.17Å; H234-H239 AromaticContact ND1-ND1 3.98Å; H234-H239 PolarHBondContact O-N 3.44Å; H234-W242 HydrophobicContact CB-CB 4.21Å; H234-A243 HydrophobicContact CB-CB 3.87Å; H234-D246 IonicContact CD2-OD2 3.54Å; H234-D246 PolarHBondContact CD2-OD2 3.23Å; H234-D246 IonicContact NE2-OD2 3.54Å
235S95.3Very high96.6Very high27 Ų2744 Ų4419%0.18920%0.204CC..Hα-helixtrans-61.7-38.5173.5-174.70000112S231 I233 L237 K238S231-S235 WeakPolarHBondContact O-CB 3.28Å; S231-S235 PolarHBondContact O-N 3.47Å; I233-S235 VanDerWaalsContact C-N 3.31Å; I233-S235 PolarHBondContact O-N 2.65Å; S235-L237 VanDerWaalsContact C-N 3.31Å; S235-K238 PolarHBondContact O-N 3.1Å
236S94.9Very high96.7Very high46 Ų4643.7 Ų43.732%0.32220%0.202SC..Hα-helixtrans-69.9-30177.3-52.20000112.2Y201 Q232 I233 H234 K238Y201-S236 PolarHBondContact OH-OG 3.43Å; Y201-S236 VanDerWaalsContact OH-OG 3.08Å; Q232-S236 PolarHBondContact NE2-OG 3.43Å; Q232-S236 WeakPolarHBondContact O-CB 3.5Å; Q232-S236 PolarHBondContact O-N 3.36Å; Q232-S236 PolarHBondContact O-OG 3.01Å; I233-S236 CarbonylContact O-C 3.57Å; I233-S236 WeakPolarHBondContact O-CA 3.3Å; I233-S236 WeakPolarHBondContact O-CB 2.94Å; I233-S236 PolarHBondContact O-N 3.38Å; H234-S236 VanDerWaalsContact C-N 3.3Å; H234-S236 PolarHBondContact O-N 3.08Å; S236-K238 VanDerWaalsContact C-N 3.3Å
237L95.5Very high96.8Very high38 Ų3843.7 Ų43.720%0.19920%0.202CC..THydrogen-bonded Turntrans-83.83.3172.7-67.6173.5000113.7M206 E207 L210 I233 H234 S235 H239M206-L237 HydrophobicContact CB-CD1 4.46Å; M206-L237 HydrophobicContact CB-CD2 3.7Å; M206-L237 HydrophobicContact CB-CG 4.11Å; M206-L237 HydrophobicContact CG-CD2 4.31Å; E207-L237 WeakPolarHBondContact OE1-CD2 3.31Å; L210-L237 HydrophobicContact CD2-CD1 4.14Å; I233-L237 HydrophobicContact CG2-CD1 4Å; I233-L237 HydrophobicContact CG2-CG 4.49Å; I233-L237 WeakPolarHBondContact O-CG 3.44Å; I233-L237 PolarHBondContact O-N 2.72Å; H234-L237 CarbonylContact O-C 3.51Å; H234-L237 PolarHBondContact O-N 3.18Å; S235-L237 VanDerWaalsContact C-N 3.31Å; L237-H239 PolarHBondContact O-CD2 3.06Å; L237-H239 VanDerWaalsContact O-CD2 3.28Å; L237-H239 PolarHBondContact O-N 2.91Å
238K95.2Very high96.7Very high164 Ų16445.4 Ų45.471%0.71321%0.211SC*.THydrogen-bonded Turntrans60.617.6-173.8-51.9-178.3179.7-1780115.3H234 S235 S236 H240H234-K238 PolarHBondContact O-N 3.34Å; H234-K238 VanDerWaalsContact O-N 3.12Å; S235-K238 PolarHBondContact O-N 3.1Å; S236-K238 VanDerWaalsContact C-N 3.3Å; K238-H240 PolarHBondContact O-CD2 2.73Å; K238-H240 VanDerWaalsContact O-CD2 3.27Å; K238-H240 PolarHBondContact O-N 3.36Å
239H96.2Very high96.7Very high96 Ų9646.8 Ų46.844%0.44422%0.219SC..  trans-8464.8174.3-66.7-178.2000109.8H234 L237 D241 W242 A243H234-H239 HydrophobicContact CB-CB 4.17Å; H234-H239 AromaticContact ND1-ND1 3.98Å; H234-H239 PolarHBondContact O-N 3.44Å; L237-H239 PolarHBondContact O-CD2 3.06Å; L237-H239 VanDerWaalsContact O-CD2 3.28Å; L237-H239 PolarHBondContact O-N 2.91Å; H239-D241 PolarHBondContact O-N 3.24Å; H239-W242 HydrophobicContact CB-CB 4.28Å; H239-W242 PolarHBondContact O-N 2.86Å; H239-W242 VanDerWaalsContact O-N 3.15Å; H239-A243 PolarHBondContact O-N 2.96Å
240H95.9Very high96.7Very high47 Ų4745.8 Ų45.822%0.21821%0.214CC..Hα-helixtrans-63.7-36.5-165.1-58.4-58.3000114.1K238 W242 A243 L244 S270 L271K238-H240 PolarHBondContact O-CD2 2.73Å; K238-H240 VanDerWaalsContact O-CD2 3.27Å; K238-H240 PolarHBondContact O-N 3.36Å; H240-W242 PolarHBondContact O-N 3.28Å; H240-A243 WeakPolarHBondContact O-CB 3.46Å; H240-A243 PolarHBondContact O-N 3.03Å; H240-L244 PolarHBondContact O-N 2.85Å; H240-S270 WeakPolarHBondContact ND1-CB 3.21Å; H240-L271 HydrophobicContact CB-CD2 3.59Å; H240-L271 HydrophobicContact CB-CG 3.86Å
241D96.2Very high96.5Very high96 Ų9644.3 Ų44.351%0.51321%0.21SC..Hα-helixtrans-64.9-36174.8-57.5-85.2000113.5H239 R245H239-D241 PolarHBondContact O-N 3.24Å; D241-R245 WeakPolarHBondContact O-CG 3.48Å; D241-R245 PolarHBondContact O-N 2.95Å; D241-R245 VanDerWaalsContact O-N 3.11Å; D241-R245 PolarHBondContact O-NE 3.16Å
242W96.8Very high96.3Very high121 Ų12149.3 Ų49.346%0.45823%0.229SC..Hα-helixtrans-72.5-38.8175-67.298.3000110.7H234 H239 H240 L244 R245 D246H234-W242 HydrophobicContact CB-CB 4.21Å; H239-W242 HydrophobicContact CB-CB 4.28Å; H239-W242 PolarHBondContact O-N 2.86Å; H239-W242 VanDerWaalsContact O-N 3.15Å; H240-W242 PolarHBondContact O-N 3.28Å; W242-L244 VanDerWaalsContact C-N 3.31Å; W242-L244 PolarHBondContact O-N 3.3Å; W242-R245 PolarHBondContact O-N 3.37Å; W242-D246 PolarHBondContact O-N 3.04Å
243A97.8Very high96Very high0 Ų049.2 Ų49.20%023%0.229CC..Hα-helixtrans-60.1-40.8173.500000112.1S231 H234 H239 H240 A247 A267S231-A243 WeakPolarHBondContact CB-O 3.47Å; S231-A243 WeakPolarHBondContact O-CB 3.4Å; S231-A243 PolarHBondContact OG-O 2.87Å; H234-A243 HydrophobicContact CB-CB 3.87Å; H239-A243 PolarHBondContact O-N 2.96Å; H240-A243 WeakPolarHBondContact O-CB 3.46Å; H240-A243 PolarHBondContact O-N 3.03Å; A243-A247 WeakPolarHBondContact O-CB 3.41Å; A243-A247 PolarHBondContact O-N 3.29Å; A243-A267 HydrophobicContact CB-CB 4.13Å
244L97.6Very high95.6Very high14 Ų1450.9 Ų50.97%0.07324%0.237CC..Hα-helixtrans-66.2-49.9176.3-178.958.4000111.6H240 W242 D246 A247 E248 K264 A267 L268 L271H240-L244 PolarHBondContact O-N 2.85Å; W242-L244 VanDerWaalsContact C-N 3.31Å; W242-L244 PolarHBondContact O-N 3.3Å; L244-D246 VanDerWaalsContact C-N 3.31Å; L244-D246 PolarHBondContact O-N 3.1Å; L244-A247 PolarHBondContact O-N 2.99Å; L244-A247 VanDerWaalsContact O-N 3.08Å; L244-E248 HydrophobicContact CD1-CG 4.01Å; L244-E248 HydrophobicContact CG-CG 4.32Å; L244-E248 WeakPolarHBondContact O-CB 3.5Å; L244-E248 WeakPolarHBondContact O-CG 3.38Å; L244-E248 PolarHBondContact O-N 3.21Å; L244-K264 HydrophobicContact CD1-CG 3.94Å; L244-A267 HydrophobicContact CB-CB 3.99Å; L244-A267 HydrophobicContact CD1-CB 4.28Å; L244-L268 HydrophobicContact CD1-CD2 3.86Å; L244-L268 HydrophobicContact CD1-CG 3.82Å; L244-L268 HydrophobicContact CD2-CD2 3.94Å; L244-L271 HydrophobicContact CB-CD1 3.99Å; L244-L271 HydrophobicContact CD2-CD1 3.65Å; L244-L271 HydrophobicContact CG-CD1 4.42Å
245R97.7Very high95.2Very high123 Ų12351.2 Ų51.246%0.46424%0.24SC..Hα-helixtrans-56.3-42.4179-79.4-175.9-101.4178.4-9.1112.9D241 W242 T249D241-R245 WeakPolarHBondContact O-CG 3.48Å; D241-R245 PolarHBondContact O-N 2.95Å; D241-R245 VanDerWaalsContact O-N 3.11Å; D241-R245 PolarHBondContact O-NE 3.16Å; W242-R245 PolarHBondContact O-N 3.37Å; R245-T249 WeakPolarHBondContact O-CB 3.5Å; R245-T249 PolarHBondContact O-N 3.14Å; R245-T249 PolarHBondContact O-OG1 2.67Å
246D97.8Very high94.8Very high9 Ų953.5 Ų53.55%0.04825%0.247CC..Hα-helixtrans-68-41.4175.4-88.2-9.3000112.1F227 R230 S231 H234 W242 L244 T249 S250F227-D246 HydrophobicContact CB-CB 4.46Å; F227-D246 WeakPolarHBondContact CB-O 3.29Å; R230-D246 VanDerWaalsContact CB-OD2 3.3Å; R230-D246 WeakPolarHBondContact CB-OD2 3.31Å; R230-D246 VanDerWaalsContact CG-OD2 3.3Å; R230-D246 WeakPolarHBondContact CG-OD2 3.43Å; R230-D246 IonicContact CZ-OD1 3.22Å; R230-D246 IonicContact CZ-OD2 2.74Å; R230-D246 IonicContact NE-OD1 2.83Å; R230-D246 PolarHBondContact NE-OD1 3.26Å; R230-D246 IonicContact NE-OD2 2.73Å; R230-D246 PolarHBondContact NE-OD2 3.25Å; R230-D246 IonicContact NH2-OD1 3.88Å; R230-D246 PolarHBondContact NH2-OD1 3.45Å; R230-D246 IonicContact NH2-OD2 3.24Å; S231-D246 PolarHBondContact N-OD2 2.94Å; H234-D246 IonicContact CD2-OD2 3.54Å; H234-D246 PolarHBondContact CD2-OD2 3.23Å; H234-D246 IonicContact NE2-OD2 3.54Å; W242-D246 PolarHBondContact O-N 3.04Å; L244-D246 VanDerWaalsContact C-N 3.31Å; L244-D246 PolarHBondContact O-N 3.1Å; D246-T249 PolarHBondContact O-N 3.06Å; D246-S250 PolarHBondContact O-N 3.02Å
247A97.3Very high94.6Very high0 Ų052.2 Ų52.20%024%0.235CC..Hα-helixtrans-66.6-39.9178.300000112.6A243 L244 T249 S250 C251 R263 K264A243-A247 WeakPolarHBondContact O-CB 3.41Å; A243-A247 PolarHBondContact O-N 3.29Å; L244-A247 PolarHBondContact O-N 2.99Å; L244-A247 VanDerWaalsContact O-N 3.08Å; A247-T249 VanDerWaalsContact C-N 3.34Å; A247-S250 WeakPolarHBondContact O-CB 3.31Å; A247-S250 PolarHBondContact O-N 3.39Å; A247-C251 PolarHBondContact O-N 3.24Å; A247-C251 PolarHBondContact O-SG 3.25Å; A247-R263 HydrophobicContact CB-CB 3.92Å; A247-K264 VanDerWaalsContact CB-CA 3.49Å; A247-K264 HydrophobicContact CB-CB 3.86Å; A247-K264 HydrophobicContact CB-CG 4.41Å
248E96.9Very high94.4Very high54 Ų5451.2 Ų51.225%0.25223%0.232SC..Hα-helixtrans-61.5-42.4171.9-74.6176.7163.900111.5L244 C251 R252 K264L244-E248 HydrophobicContact CD1-CG 4.01Å; L244-E248 HydrophobicContact CG-CG 4.32Å; L244-E248 WeakPolarHBondContact O-CB 3.5Å; L244-E248 WeakPolarHBondContact O-CG 3.38Å; L244-E248 PolarHBondContact O-N 3.21Å; E248-C251 PolarHBondContact O-N 2.97Å; E248-R252 WeakPolarHBondContact O-CG 3.21Å; E248-R252 PolarHBondContact O-N 2.85Å; E248-K264 HydrophobicContact CG-CD 3.98Å; E248-K264 HydrophobicContact CG-CG 4.32Å
249T96.5Very high94.2Very high29 Ų2946.1 Ų46.118%0.17821%0.209CC..Hα-helixtrans-63.3-42.2175.2-55.30000111.3F227 R245 D246 A247 C251 R252 L253F227-T249 HydrophobicContact CD1-CG2 3.73Å; F227-T249 HydrophobicContact CD2-CG2 4.25Å; F227-T249 HydrophobicContact CE1-CG2 3.73Å; F227-T249 HydrophobicContact CE2-CG2 4.26Å; F227-T249 HydrophobicContact CG-CG2 4Å; F227-T249 HydrophobicContact CZ-CG2 3.99Å; R245-T249 WeakPolarHBondContact O-CB 3.5Å; R245-T249 PolarHBondContact O-N 3.14Å; R245-T249 PolarHBondContact O-OG1 2.67Å; D246-T249 PolarHBondContact O-N 3.06Å; A247-T249 VanDerWaalsContact C-N 3.34Å; T249-C251 VanDerWaalsContact C-N 3.34Å; T249-C251 PolarHBondContact O-N 3.3Å; T249-R252 PolarHBondContact O-N 2.88Å; T249-R252 PolarHBondContact OG1-NH2 3.14Å; T249-L253 HydrophobicContact CG2-CD1 4.09Å; T249-L253 HydrophobicContact CG2-CG 4.5Å; T249-L253 WeakPolarHBondContact O-CB 3.33Å; T249-L253 VanDerWaalsContact O-CG 3.31Å; T249-L253 WeakPolarHBondContact O-CG 3.17Å; T249-L253 PolarHBondContact O-N 2.83Å
250S95.9Very high94.1Very high0 Ų041.6 Ų41.60%019%0.188CC..Hα-helixtrans-59.8-41.3172.9-178.50000112.5H224 D246 A247 M254H224-S250 PolarHBondContact O-OG 3.05Å; H224-S250 VanDerWaalsContact O-OG 3.08Å; D246-S250 PolarHBondContact O-N 3.02Å; A247-S250 WeakPolarHBondContact O-CB 3.31Å; A247-S250 PolarHBondContact O-N 3.39Å; S250-M254 PolarHBondContact O-N 3.47Å; S250-M254 VanDerWaalsContact O-N 3.1Å
251C94.2Very high94.1Very high11 Ų1140.1 Ų40.17%0.07418%0.181CC..Hα-helixtrans-73-35.1178.5-630000112.6A247 E248 T249 M254 P255A247-C251 PolarHBondContact O-N 3.24Å; A247-C251 PolarHBondContact O-SG 3.25Å; E248-C251 PolarHBondContact O-N 2.97Å; T249-C251 VanDerWaalsContact C-N 3.34Å; T249-C251 PolarHBondContact O-N 3.3Å; C251-M254 CarbonylContact O-C 3.59Å; C251-P255 VanDerWaalsContact O-CA 3.25Å; C251-P255 WeakPolarHBondContact O-CA 3.28Å; C251-P255 WeakPolarHBondContact O-CD 3.34Å; C251-P255 WeakPolarHBondContact O-CG 3.19Å; C251-P255 VanDerWaalsContact O-N 3.11Å
252R93.5Very high94Very high108 Ų10835.9 Ų35.941%0.40816%0.159SC..Hα-helixtrans-65.6-42.5172.8-73.5-165.9-54.1-87.4-6.1111.6E248 T249E248-R252 WeakPolarHBondContact O-CG 3.21Å; E248-R252 PolarHBondContact O-N 2.85Å; T249-R252 PolarHBondContact O-N 2.88Å; T249-R252 PolarHBondContact OG1-NH2 3.14Å
253L90.3Very high94Very high33 Ų3331.8 Ų31.817%0.17314%0.144CC..Hα-helixtrans-67-38.9179.2-73.3170.7000112.5H224 F227 T249H224-L253 HydrophobicContact CB-CB 3.76Å; H224-L253 HydrophobicContact CB-CD1 4.33Å; F227-L253 HydrophobicContact CD2-CD1 3.61Å; F227-L253 HydrophobicContact CE2-CD1 3.56Å; F227-L253 HydrophobicContact CZ-CD1 4.48Å; T249-L253 HydrophobicContact CG2-CD1 4.09Å; T249-L253 HydrophobicContact CG2-CG 4.5Å; T249-L253 WeakPolarHBondContact O-CB 3.33Å; T249-L253 VanDerWaalsContact O-CG 3.31Å; T249-L253 WeakPolarHBondContact O-CG 3.17Å; T249-L253 PolarHBondContact O-N 2.83Å
254M88.8Confident94Very high38 Ų3833.5 Ų33.519%0.18715%0.151CC..  trans-139.785.5177.4-71.9-59.2-72.300112.4L122 H224 S250 C251 F256 W257L122-M254 HydrophobicContact CB-CE 3.65Å; L122-M254 HydrophobicContact CD1-CE 4.02Å; L122-M254 HydrophobicContact CG-CE 4.48Å; H224-M254 HydrophobicContact CB-CB 4.08Å; H224-M254 HydrophobicContact CB-CG 3.92Å; H224-M254 VanDerWaalsContact CG-CG 3.41Å; H224-M254 WeakPolarHBondContact ND1-CG 3.47Å; S250-M254 PolarHBondContact O-N 3.47Å; S250-M254 VanDerWaalsContact O-N 3.1Å; C251-M254 CarbonylContact O-C 3.59Å; M254-F256 PolarHBondContact O-N 3.26Å; M254-F256 VanDerWaalsContact O-N 3.16Å; M254-W257 HydrophobicContact CB-CB 4.11Å; M254-W257 PolarHBondContact O-N 3.25Å
255P89.7Confident93.9Very high21 Ų2132.8 Ų32.814%0.13615%0.148CC..THydrogen-bonded Turntrans-65.2-16.3-177.1-23.934.2000115.7C251 H261C251-P255 VanDerWaalsContact O-CA 3.25Å; C251-P255 WeakPolarHBondContact O-CA 3.28Å; C251-P255 WeakPolarHBondContact O-CD 3.34Å; C251-P255 WeakPolarHBondContact O-CG 3.19Å; C251-P255 VanDerWaalsContact O-N 3.11Å; P255-H261 PolarHBondContact O-NE2 3.48Å; P255-H261 VanDerWaalsContact O-NE2 3.09Å
256F86.6Confident93.9Very high75 Ų7529 Ų2933%0.32914%0.135SC..THydrogen-bonded Turntrans-101.112-178-58.8-67.6000113.4W103 C107 M254 L287W103-F256 HydrophobicContact CZ3-CD1 4.31Å; W103-F256 HydrophobicContact CZ3-CE1 4.06Å; C107-F256 WeakPolarHBondContact O-CD2 3.17Å; C107-F256 VanDerWaalsContact O-CE2 3.29Å; C107-F256 WeakPolarHBondContact O-CE2 3.21Å; M254-F256 PolarHBondContact O-N 3.26Å; M254-F256 VanDerWaalsContact O-N 3.16Å; F256-L287 HydrophobicContact CD1-CD2 4.2Å
257W89.6Confident93.8Very high20 Ų2028.7 Ų28.78%0.07613%0.133CC..  trans-101102.4-178.4-17262.7000111.7L122 H224 I225 S228 M254 K259 G260L122-W257 HydrophobicContact CD1-CB 4.28Å; H224-W257 AromaticContact CD2-CD2 3.55Å; H224-W257 AromaticContact CD2-CE3 3.35Å; H224-W257 AromaticContact CD2-CG 4Å; H224-W257 AromaticContact CD2-CZ3 3.76Å; I225-W257 HydrophobicContact CD1-CZ2 4.5Å; I225-W257 HydrophobicContact CG1-CH2 4.13Å; I225-W257 HydrophobicContact CG1-CZ2 4.06Å; S228-W257 VanDerWaalsContact CB-CZ3 3.48Å; S228-W257 WeakPolarHBondContact OG-CH2 3.5Å; S228-W257 VanDerWaalsContact OG-CZ3 3.29Å; S228-W257 WeakPolarHBondContact OG-CZ3 3.07Å; M254-W257 HydrophobicContact CB-CB 4.11Å; M254-W257 PolarHBondContact O-N 3.25Å; W257-K259 HydrophobicContact CD2-CB 4.09Å; W257-K259 HydrophobicContact CE3-CB 4.2Å; W257-K259 HydrophobicContact CH2-CB 3.97Å; W257-K259 HydrophobicContact CH2-CD 4.2Å; W257-K259 HydrophobicContact CH2-CG 4.05Å; W257-K259 HydrophobicContact CZ2-CB 3.8Å; W257-K259 HydrophobicContact CZ2-CD 4.05Å; W257-K259 HydrophobicContact CZ2-CG 4.17Å; W257-K259 HydrophobicContact CZ3-CB 4.15Å; W257-K259 HydrophobicContact CZ3-CG 4.45Å; W257-K259 PolarHBondContact O-N 3.32Å; W257-G260 PolarHBondContact O-N 3.23Å
258S91.4Very high93.7Very high17 Ų1728.8 Ų28.812%0.11913%0.134CC..Hα-helixtrans-45.5-41.6-174.660.90000114G260 H261 V262 C284 E288S258-G260 VanDerWaalsContact C-N 3.33Å; S258-G260 PolarHBondContact O-N 3.18Å; S258-H261 PolarHBondContact O-N 3.23Å; S258-V262 PolarHBondContact O-N 2.73Å; S258-C284 PolarHBondContact O-SG 2.73Å; S258-E288 PolarHBondContact OG-OE2 2.86Å
259K91.6Very high93.6Very high57 Ų5728.2 Ų28.225%0.24813%0.134CC..Hα-helixtrans-69.6-24.1-177.7-170.9166.4-173.81630114.3W257 V262 R263W257-K259 HydrophobicContact CD2-CB 4.09Å; W257-K259 HydrophobicContact CE3-CB 4.2Å; W257-K259 HydrophobicContact CH2-CB 3.97Å; W257-K259 HydrophobicContact CH2-CD 4.2Å; W257-K259 HydrophobicContact CH2-CG 4.05Å; W257-K259 HydrophobicContact CZ2-CB 3.8Å; W257-K259 HydrophobicContact CZ2-CD 4.05Å; W257-K259 HydrophobicContact CZ2-CG 4.17Å; W257-K259 HydrophobicContact CZ3-CB 4.15Å; W257-K259 HydrophobicContact CZ3-CG 4.45Å; W257-K259 PolarHBondContact O-N 3.32Å; K259-V262 PolarHBondContact O-N 2.97Å; K259-R263 PolarHBondContact O-N 3.4Å
260G93.8Very high93.5Very high0 Ų029.3 Ų29.30%014%0.143CC..Hα-helixtrans-63.1-50.4173.300000110.7W257 S258 V262 R263 K264W257-G260 PolarHBondContact O-N 3.23Å; S258-G260 VanDerWaalsContact C-N 3.33Å; S258-G260 PolarHBondContact O-N 3.18Å; G260-V262 VanDerWaalsContact C-N 3.32Å; G260-V262 PolarHBondContact O-N 3.13Å; G260-R263 WeakPolarHBondContact O-CB 3.48Å; G260-R263 PolarHBondContact O-N 3.01Å; G260-K264 PolarHBondContact O-N 3.08Å
261H95.4Very high93.4Very high16 Ų1632 Ų327%0.07416%0.157CC..Hα-helixtrans-59.7-38.9176.9-64.1-78.2000112.5P255 S258 R263 K264 A265 E280 C284P255-H261 PolarHBondContact O-NE2 3.48Å; P255-H261 VanDerWaalsContact O-NE2 3.09Å; S258-H261 PolarHBondContact O-N 3.23Å; H261-R263 VanDerWaalsContact C-N 3.33Å; H261-R263 PolarHBondContact O-N 2.99Å; H261-K264 PolarHBondContact O-N 3.37Å; H261-A265 WeakPolarHBondContact O-CB 3.38Å; H261-A265 PolarHBondContact O-N 2.91Å; H261-E280 IonicContact CE1-OE2 2.82Å; H261-E280 IonicContact CG-OE2 3.59Å; H261-E280 IonicContact ND1-OE2 2.65Å; H261-E280 PolarHBondContact ND1-OE2 3.06Å; H261-C284 HydrophobicContact CB-CB 4.15Å
262V95.8Very high93.2Very high8 Ų834.1 Ų34.15%0.04818%0.181CC..Hα-helixtrans-57.4-43.9172.1176.70000111.8S258 K259 G260 Q266 Y281 C284 L293S258-V262 PolarHBondContact O-N 2.73Å; K259-V262 PolarHBondContact O-N 2.97Å; G260-V262 VanDerWaalsContact C-N 3.32Å; G260-V262 PolarHBondContact O-N 3.13Å; V262-Q266 HydrophobicContact CG1-CG 4.42Å; V262-Q266 WeakPolarHBondContact O-CB 3.37Å; V262-Q266 WeakPolarHBondContact O-CG 3.41Å; V262-Q266 PolarHBondContact O-N 2.86Å; V262-Y281 HydrophobicContact CG1-CE1 4.46Å; V262-C284 HydrophobicContact CG2-CB 4.22Å; V262-C284 WeakPolarHBondContact CG2-SG 3.25Å; V262-L293 HydrophobicContact CG1-CD2 3.75Å
263R96.4Very high93.2Very high34 Ų3434.4 Ų34.413%0.12818%0.182CC..Hα-helixtrans-64.9-41.5177-63.9-44-168.7-169.612.2112.3S228 A247 K259 G260 H261 Q266 A267S228-R263 VanDerWaalsContact OG-CG 3.27Å; S228-R263 WeakPolarHBondContact OG-CG 3.44Å; A247-R263 HydrophobicContact CB-CB 3.92Å; K259-R263 PolarHBondContact O-N 3.4Å; G260-R263 WeakPolarHBondContact O-CB 3.48Å; G260-R263 PolarHBondContact O-N 3.01Å; H261-R263 VanDerWaalsContact C-N 3.33Å; H261-R263 PolarHBondContact O-N 2.99Å; R263-Q266 PolarHBondContact O-N 3.41Å; R263-A267 PolarHBondContact O-N 3.22Å
264K96.9Very high93.1Very high36 Ų3636 Ų3616%0.15719%0.193CC..Hα-helixtrans-63.9-46179.3-169.1177.4165.8-164.90110.6L244 A247 E248 G260 H261 Q266 A267 L268 E280L244-K264 HydrophobicContact CD1-CG 3.94Å; A247-K264 VanDerWaalsContact CB-CA 3.49Å; A247-K264 HydrophobicContact CB-CB 3.86Å; A247-K264 HydrophobicContact CB-CG 4.41Å; E248-K264 HydrophobicContact CG-CD 3.98Å; E248-K264 HydrophobicContact CG-CG 4.32Å; G260-K264 PolarHBondContact O-N 3.08Å; H261-K264 PolarHBondContact O-N 3.37Å; K264-Q266 PolarHBondContact O-N 3.43Å; K264-A267 PolarHBondContact O-N 2.91Å; K264-L268 HydrophobicContact CG-CD1 4.03Å; K264-L268 WeakPolarHBondContact O-CB 3.05Å; K264-L268 VanDerWaalsContact O-CG 3.27Å; K264-L268 WeakPolarHBondContact O-CG 3.33Å; K264-L268 PolarHBondContact O-N 3.3Å; K264-E280 HydrophobicContact CB-CG 4.42Å; K264-E280 HydrophobicContact CD-CG 4.02Å; K264-E280 VanDerWaalsContact CE-OE1 3.24Å; K264-E280 WeakPolarHBondContact CE-OE1 3.35Å; K264-E280 HydrophobicContact CG-CG 4.15Å; K264-E280 IonicContact NZ-OE1 2.7Å; K264-E280 PolarHBondContact NZ-OE1 3.39Å
265A96.4Very high92.9Very high0 Ų036.2 Ų36.20%020%0.195CC..Hα-helixtrans-59-45.9174.500000112.4H261 A267 L268 V269 A277 E280 Y281H261-A265 WeakPolarHBondContact O-CB 3.38Å; H261-A265 PolarHBondContact O-N 2.91Å; A265-A267 PolarHBondContact O-N 3.08Å; A265-L268 PolarHBondContact O-N 3.21Å; A265-V269 WeakPolarHBondContact O-CG2 3.13Å; A265-V269 PolarHBondContact O-N 2.9Å; A265-A277 HydrophobicContact CB-CB 4.44Å; A265-A277 WeakPolarHBondContact O-CB 3.4Å; A265-E280 HydrophobicContact CB-CB 3.79Å; A265-Y281 HydrophobicContact CB-CD1 3.71Å; A265-Y281 HydrophobicContact CB-CD2 3.69Å; A265-Y281 HydrophobicContact CB-CE1 3.55Å; A265-Y281 HydrophobicContact CB-CE2 3.53Å; A265-Y281 HydrophobicContact CB-CG 3.78Å; A265-Y281 VanDerWaalsContact CB-CZ 3.45Å
266Q96.2Very high92.9Very high44 Ų4437.3 Ų37.321%0.20620%0.2CC..Hα-helixtrans-60.6-41.6177.2-74.7176.4-39.300112.9V262 R263 K264 S270 Y281V262-Q266 HydrophobicContact CG1-CG 4.42Å; V262-Q266 WeakPolarHBondContact O-CB 3.37Å; V262-Q266 WeakPolarHBondContact O-CG 3.41Å; V262-Q266 PolarHBondContact O-N 2.86Å; R263-Q266 PolarHBondContact O-N 3.41Å; K264-Q266 PolarHBondContact O-N 3.43Å; Q266-S270 PolarHBondContact O-N 3.04Å; Q266-S270 PolarHBondContact O-OG 2.75Å; Q266-Y281 WeakPolarHBondContact CG-OH 3.47Å
267A96.9Very high93.2Very high1 Ų133.8 Ų33.81%0.00818%0.184CC..Hα-helixtrans-66.5-41.9174.600000112A243 L244 R263 K264 A265 S270 L271A243-A267 HydrophobicContact CB-CB 4.13Å; L244-A267 HydrophobicContact CB-CB 3.99Å; L244-A267 HydrophobicContact CD1-CB 4.28Å; R263-A267 PolarHBondContact O-N 3.22Å; K264-A267 PolarHBondContact O-N 2.91Å; A265-A267 PolarHBondContact O-N 3.08Å; A267-S270 WeakPolarHBondContact O-CB 3.27Å; A267-S270 PolarHBondContact O-N 3.38Å; A267-L271 WeakPolarHBondContact O-CG 3.28Å; A267-L271 PolarHBondContact O-N 2.89Å; A267-L271 VanDerWaalsContact O-N 3.13Å
268L95.8Very high93.3Very high2 Ų233 Ų331%0.0118%0.181CC..Hα-helixtrans-63.9-43177.4-72.5165.3000112.7L244 K264 A265 S270 L271 G272 R273 D276 A277 E280L244-L268 HydrophobicContact CD1-CD2 3.86Å; L244-L268 HydrophobicContact CD1-CG 3.82Å; L244-L268 HydrophobicContact CD2-CD2 3.94Å; K264-L268 HydrophobicContact CG-CD1 4.03Å; K264-L268 WeakPolarHBondContact O-CB 3.05Å; K264-L268 VanDerWaalsContact O-CG 3.27Å; K264-L268 WeakPolarHBondContact O-CG 3.33Å; K264-L268 PolarHBondContact O-N 3.3Å; A265-L268 PolarHBondContact O-N 3.21Å; L268-S270 VanDerWaalsContact C-N 3.27Å; L268-S270 PolarHBondContact O-N 3.03Å; L268-L271 CarbonylContact O-C 3.53Å; L268-L271 PolarHBondContact O-N 2.91Å; L268-L271 VanDerWaalsContact O-N 3.12Å; L268-G272 PolarHBondContact O-N 3.45Å; L268-R273 HydrophobicContact CB-CB 4.28Å; L268-R273 HydrophobicContact CD2-CB 3.87Å; L268-R273 PolarHBondContact O-N 2.87Å; L268-D276 HydrophobicContact CD1-CB 3.83Å; L268-D276 HydrophobicContact CD2-CB 4.17Å; L268-A277 HydrophobicContact CB-CB 3.77Å; L268-E280 HydrophobicContact CD1-CG 3.93Å
269V94.2Very high93.3Very high43 Ų4335.3 Ų35.326%0.26119%0.189SC..Hα-helixtrans-58-42.8172.5173.70000110.6A265 L271 G272 A277 Y281 L301A265-V269 WeakPolarHBondContact O-CG2 3.13Å; A265-V269 PolarHBondContact O-N 2.9Å; V269-L271 PolarHBondContact O-N 3.29Å; V269-G272 PolarHBondContact O-N 3.12Å; V269-A277 HydrophobicContact CG2-CB 3.51Å; V269-Y281 HydrophobicContact CG2-CE2 4.28Å; V269-L301 HydrophobicContact CG2-CD1 4.19Å; V269-L301 HydrophobicContact CG2-CD2 4.47Å
270S93.9Very high93.4Very high52 Ų5233.5 Ų33.536%0.36418%0.182SC..Hα-helixtrans-66.5-21.6180-53.10000113.6H240 Q266 A267 L268H240-S270 WeakPolarHBondContact ND1-CB 3.21Å; Q266-S270 PolarHBondContact O-N 3.04Å; Q266-S270 PolarHBondContact O-OG 2.75Å; A267-S270 WeakPolarHBondContact O-CB 3.27Å; A267-S270 PolarHBondContact O-N 3.38Å; L268-S270 VanDerWaalsContact C-N 3.27Å; L268-S270 PolarHBondContact O-N 3.03Å
271L94.3Very high93.5Very high56 Ų5633.7 Ų33.729%0.29318%0.182SC..THydrogen-bonded Turntrans-95.46.1174.6-68.6167.5000113H240 L244 A267 L268 V269 R273H240-L271 HydrophobicContact CB-CD2 3.59Å; H240-L271 HydrophobicContact CB-CG 3.86Å; L244-L271 HydrophobicContact CB-CD1 3.99Å; L244-L271 HydrophobicContact CD2-CD1 3.65Å; L244-L271 HydrophobicContact CG-CD1 4.42Å; A267-L271 WeakPolarHBondContact O-CG 3.28Å; A267-L271 PolarHBondContact O-N 2.89Å; A267-L271 VanDerWaalsContact O-N 3.13Å; L268-L271 CarbonylContact O-C 3.53Å; L268-L271 PolarHBondContact O-N 2.91Å; L268-L271 VanDerWaalsContact O-N 3.12Å; V269-L271 PolarHBondContact O-N 3.29Å; L271-R273 PolarHBondContact O-N 2.86Å
272G90.4Very high93.3Very high55 Ų5533.1 Ų33.157%0.56718%0.18SC*.THydrogen-bonded Turntrans73.35.2-176.700000115.1L268 V269 T274L268-G272 PolarHBondContact O-N 3.45Å; V269-G272 PolarHBondContact O-N 3.12Å; G272-T274 VanDerWaalsContact C-N 3.26Å; G272-T274 PolarHBondContact O-N 2.68Å
273R92.2Very high93.2Very high115 Ų11534.2 Ų34.243%0.43419%0.185SC..  trans-84.863.7179.8-68.2177.860.6-173.6-0.8111.1L268 L271 D275 D276 A277L268-R273 HydrophobicContact CB-CB 4.28Å; L268-R273 HydrophobicContact CD2-CB 3.87Å; L268-R273 PolarHBondContact O-N 2.87Å; L271-R273 PolarHBondContact O-N 2.86Å; R273-D275 PolarHBondContact O-N 2.83Å; R273-D276 IonicContact CZ-OD2 2.74Å; R273-D276 IonicContact NE-OD2 2.7Å; R273-D276 PolarHBondContact NE-OD2 2.64Å; R273-D276 IonicContact NH2-OD2 3.99Å; R273-D276 PolarHBondContact NH2-OD2 2.77Å; R273-D276 PolarHBondContact O-N 3.37Å; R273-A277 PolarHBondContact O-N 3.35Å
274T89Confident93Very high65 Ų6532.6 Ų32.640%0.39918%0.179SC..Hα-helixtrans-61.6-39.7-172.445.50000114G272 D276 A277 L278 L301G272-T274 VanDerWaalsContact C-N 3.26Å; G272-T274 PolarHBondContact O-N 2.68Å; T274-D276 PolarHBondContact O-N 3.08Å; T274-A277 WeakPolarHBondContact O-CB 3.26Å; T274-A277 PolarHBondContact O-N 2.91Å; T274-L278 PolarHBondContact O-N 3.24Å; T274-L301 HydrophobicContact CG2-CD2 3.84Å
275D85.3Confident92.9Very high44 Ų4431.1 Ų31.124%0.23517%0.173CC..Hα-helixtrans-65.1-41.7-178.3-61.5-14.9000112R273 L278 K279R273-D275 PolarHBondContact O-N 2.83Å; D275-L278 PolarHBondContact O-N 2.38Å; D275-K279 WeakPolarHBondContact O-CE 3.43Å; D275-K279 WeakPolarHBondContact O-CG 3.49Å; D275-K279 PolarHBondContact O-N 2.86Å
276D89.3Confident92.6Very high44 Ų4431.4 Ų31.424%0.23518%0.175CC..Hα-helixtrans-71.1-37.7176.1-66.7-27.8000111L268 R273 T274 L278 K279 E280L268-D276 HydrophobicContact CD1-CB 3.83Å; L268-D276 HydrophobicContact CD2-CB 4.17Å; R273-D276 IonicContact CZ-OD2 2.74Å; R273-D276 IonicContact NE-OD2 2.7Å; R273-D276 PolarHBondContact NE-OD2 2.64Å; R273-D276 IonicContact NH2-OD2 3.99Å; R273-D276 PolarHBondContact NH2-OD2 2.77Å; R273-D276 PolarHBondContact O-N 3.37Å; T274-D276 PolarHBondContact O-N 3.08Å; D276-L278 VanDerWaalsContact C-N 3.32Å; D276-L278 PolarHBondContact O-N 3Å; D276-K279 PolarHBondContact O-N 2.88Å; D276-K279 IonicContact OD1-NZ 2.95Å; D276-K279 PolarHBondContact OD1-NZ 3.02Å; D276-E280 WeakPolarHBondContact O-CG 3.22Å; D276-E280 PolarHBondContact O-N 2.82Å; D276-E280 VanDerWaalsContact O-N 3.11Å
277A93.4Very high92.2Very high0 Ų031.9 Ų31.90%018%0.179CC..Hα-helixtrans-61.1-40.7174.300000112.5A265 L268 V269 R273 T274 E280 Y281 L301A265-A277 HydrophobicContact CB-CB 4.44Å; A265-A277 WeakPolarHBondContact O-CB 3.4Å; L268-A277 HydrophobicContact CB-CB 3.77Å; V269-A277 HydrophobicContact CG2-CB 3.51Å; R273-A277 PolarHBondContact O-N 3.35Å; T274-A277 WeakPolarHBondContact O-CB 3.26Å; T274-A277 PolarHBondContact O-N 2.91Å; A277-E280 PolarHBondContact O-N 2.98Å; A277-Y281 WeakPolarHBondContact O-CD2 3.42Å; A277-Y281 PolarHBondContact O-N 2.69Å; A277-L301 HydrophobicContact CB-CD1 4.05Å
278L91.6Very high91.8Very high3 Ų334.5 Ų34.52%0.01619%0.191CC..Hα-helixtrans-62.2-44.2176.5176.158.8000111.4T274 D275 D276 E280 Y281 L282 A298 L301 L302 F323T274-L278 PolarHBondContact O-N 3.24Å; D275-L278 PolarHBondContact O-N 2.38Å; D276-L278 VanDerWaalsContact C-N 3.32Å; D276-L278 PolarHBondContact O-N 3Å; L278-E280 VanDerWaalsContact C-N 3.33Å; L278-E280 PolarHBondContact O-N 3.25Å; L278-Y281 PolarHBondContact O-N 3.05Å; L278-L282 HydrophobicContact CD1-CD1 4.04Å; L278-L282 HydrophobicContact CD1-CG 4.11Å; L278-L282 HydrophobicContact CG-CD1 4Å; L278-L282 VanDerWaalsContact O-CG 3.3Å; L278-L282 WeakPolarHBondContact O-CG 3.4Å; L278-L282 PolarHBondContact O-N 3.01Å; L278-A298 HydrophobicContact CD1-CB 4.13Å; L278-L301 HydrophobicContact CB-CB 4.32Å; L278-L301 HydrophobicContact CB-CD1 4.15Å; L278-L301 HydrophobicContact CD1-CB 4.24Å; L278-L302 HydrophobicContact CD1-CD1 4.28Å; L278-L302 HydrophobicContact CD1-CG 3.9Å; L278-L302 HydrophobicContact CD2-CD2 3.73Å; L278-L302 HydrophobicContact CD2-CG 3.85Å; L278-F323 HydrophobicContact CD2-CE1 4.06Å; L278-F323 HydrophobicContact CD2-CZ 4.32Å; L278-F323 HydrophobicContact CG-CE1 4.45Å
279K90.3Very high91.5Very high67 Ų6738 Ų3829%0.29121%0.213SC..Hα-helixtrans-55.6-47.5174.3-65.6164.5-154.7162.30111.3D275 D276 L282 I283 F323D275-K279 WeakPolarHBondContact O-CE 3.43Å; D275-K279 WeakPolarHBondContact O-CG 3.49Å; D275-K279 PolarHBondContact O-N 2.86Å; D276-K279 PolarHBondContact O-N 2.88Å; D276-K279 IonicContact OD1-NZ 2.95Å; D276-K279 PolarHBondContact OD1-NZ 3.02Å; K279-L282 PolarHBondContact O-N 3.33Å; K279-I283 WeakPolarHBondContact O-CG1 3.35Å; K279-I283 PolarHBondContact O-N 3.46Å; K279-F323 HydrophobicContact CD-CD1 4.45Å; K279-F323 HydrophobicContact CG-CD1 3.69Å; K279-F323 HydrophobicContact CG-CE1 4.02Å
280E94.2Very high91.1Very high19 Ų1941.4 Ų41.49%0.08923%0.23CC..Hα-helixtrans-66.3-36.8-179.7-64.8-63.4161.300112.9H261 K264 A265 L268 D276 A277 L278 I283 C284H261-E280 IonicContact CE1-OE2 2.82Å; H261-E280 IonicContact CG-OE2 3.59Å; H261-E280 IonicContact ND1-OE2 2.65Å; H261-E280 PolarHBondContact ND1-OE2 3.06Å; K264-E280 HydrophobicContact CB-CG 4.42Å; K264-E280 HydrophobicContact CD-CG 4.02Å; K264-E280 VanDerWaalsContact CE-OE1 3.24Å; K264-E280 WeakPolarHBondContact CE-OE1 3.35Å; K264-E280 HydrophobicContact CG-CG 4.15Å; K264-E280 IonicContact NZ-OE1 2.7Å; K264-E280 PolarHBondContact NZ-OE1 3.39Å; A265-E280 HydrophobicContact CB-CB 3.79Å; L268-E280 HydrophobicContact CD1-CG 3.93Å; D276-E280 WeakPolarHBondContact O-CG 3.22Å; D276-E280 PolarHBondContact O-N 2.82Å; D276-E280 VanDerWaalsContact O-N 3.11Å; A277-E280 PolarHBondContact O-N 2.98Å; L278-E280 VanDerWaalsContact C-N 3.33Å; L278-E280 PolarHBondContact O-N 3.25Å; E280-I283 PolarHBondContact O-N 3.27Å; E280-C284 PolarHBondContact O-N 3.03Å
281Y95.3Very high90.9Very high4 Ų440 Ų402%0.01622%0.22CC..Hα-helixtrans-66.7-37.7171.3-73.5-55.6000112.7V262 A265 Q266 V269 A277 L278 C284 L285 A294 E297 L301V262-Y281 HydrophobicContact CG1-CE1 4.46Å; A265-Y281 HydrophobicContact CB-CD1 3.71Å; A265-Y281 HydrophobicContact CB-CD2 3.69Å; A265-Y281 HydrophobicContact CB-CE1 3.55Å; A265-Y281 HydrophobicContact CB-CE2 3.53Å; A265-Y281 HydrophobicContact CB-CG 3.78Å; A265-Y281 VanDerWaalsContact CB-CZ 3.45Å; Q266-Y281 WeakPolarHBondContact CG-OH 3.47Å; V269-Y281 HydrophobicContact CG2-CE2 4.28Å; A277-Y281 WeakPolarHBondContact O-CD2 3.42Å; A277-Y281 PolarHBondContact O-N 2.69Å; L278-Y281 PolarHBondContact O-N 3.05Å; Y281-C284 WeakPolarHBondContact O-CB 3.44Å; Y281-C284 PolarHBondContact O-N 3.2Å; Y281-L285 WeakPolarHBondContact O-CG 3.43Å; Y281-L285 PolarHBondContact O-N 3.44Å; Y281-A294 HydrophobicContact CD1-CB 3.83Å; Y281-E297 HydrophobicContact CD1-CB 4.38Å; Y281-E297 HydrophobicContact CD2-CB 3.86Å; Y281-E297 HydrophobicContact CE1-CB 4.01Å; Y281-E297 HydrophobicContact CE1-CG 4.39Å; Y281-E297 HydrophobicContact CE2-CB 3.43Å; Y281-E297 VanDerWaalsContact CE2-CB 3.43Å; Y281-E297 HydrophobicContact CE2-CG 4.14Å; Y281-E297 HydrophobicContact CG-CB 4.32Å; Y281-L301 HydrophobicContact CD2-CD1 3.79Å; Y281-L301 HydrophobicContact CE2-CD1 3.9Å
282L92.5Very high90.7Very high3 Ų346.3 Ų46.32%0.01624%0.24CC..Hα-helixtrans-68.1-35.1175.5-67.8168.4000112.2V83 L86 I90 L278 K279 L285 S286V83-L282 HydrophobicContact CG1-CD2 4.29Å; L86-L282 HydrophobicContact CB-CD1 4.08Å; L86-L282 HydrophobicContact CB-CD2 3.9Å; L86-L282 HydrophobicContact CD1-CD1 4.09Å; L86-L282 HydrophobicContact CD1-CD2 4.46Å; I90-L282 HydrophobicContact CD1-CB 3.63Å; L278-L282 HydrophobicContact CD1-CD1 4.04Å; L278-L282 HydrophobicContact CD1-CG 4.11Å; L278-L282 HydrophobicContact CG-CD1 4Å; L278-L282 VanDerWaalsContact O-CG 3.3Å; L278-L282 WeakPolarHBondContact O-CG 3.4Å; L278-L282 PolarHBondContact O-N 3.01Å; K279-L282 PolarHBondContact O-N 3.33Å; L282-L285 PolarHBondContact O-N 2.95Å; L282-S286 PolarHBondContact O-N 3.11Å
283I92.3Very high90.8Very high31 Ų3147.4 Ų47.416%0.15923%0.232CC..Hα-helixtrans-64.8-43.1169.6-65.6163.4000110.5I90 K279 E280 L285 S286 L287I90-I283 HydrophobicContact CD1-CG1 4.3Å; I90-I283 HydrophobicContact CG2-CG1 4.39Å; K279-I283 WeakPolarHBondContact O-CG1 3.35Å; K279-I283 PolarHBondContact O-N 3.46Å; E280-I283 PolarHBondContact O-N 3.27Å; I283-L285 VanDerWaalsContact C-N 3.27Å; I283-L285 PolarHBondContact O-N 2.7Å; I283-S286 PolarHBondContact O-N 3.37Å; I283-S286 PolarHBondContact O-OG 2.94Å; I283-L287 HydrophobicContact CG2-CD1 4.34Å; I283-L287 WeakPolarHBondContact O-CG 3.35Å; I283-L287 PolarHBondContact O-N 3.49Å; I283-L287 VanDerWaalsContact O-N 3.08Å
284C93.6Very high90.9Very high0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-56.7-41.5174.3-176.70000112.1S258 H261 V262 E280 Y281 L287 E288 A294S258-C284 PolarHBondContact O-SG 2.73Å; H261-C284 HydrophobicContact CB-CB 4.15Å; V262-C284 HydrophobicContact CG2-CB 4.22Å; V262-C284 WeakPolarHBondContact CG2-SG 3.25Å; E280-C284 PolarHBondContact O-N 3.03Å; Y281-C284 WeakPolarHBondContact O-CB 3.44Å; Y281-C284 PolarHBondContact O-N 3.2Å; C284-L287 PolarHBondContact O-N 3.42Å; C284-E288 PolarHBondContact O-N 3.23Å; C284-A294 HydrophobicContact CB-CB 4.03Å
285L93Very high91.1Very high5 Ų542.3 Ų42.33%0.02621%0.208CC..Hα-helixtrans-75.7-26.9179-68.2168.1000113.7V83 S87 Y281 L282 I283 L287 P289 C291 A294 K295 A298V83-L285 HydrophobicContact CG1-CD1 3.59Å; S87-L285 WeakPolarHBondContact OG-CB 3.06Å; Y281-L285 WeakPolarHBondContact O-CG 3.43Å; Y281-L285 PolarHBondContact O-N 3.44Å; L282-L285 PolarHBondContact O-N 2.95Å; I283-L285 VanDerWaalsContact C-N 3.27Å; I283-L285 PolarHBondContact O-N 2.7Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-P289 WeakPolarHBondContact O-CA 3.4Å; L285-C291 HydrophobicContact CD2-CB 4.23Å; L285-A294 HydrophobicContact CD1-CB 4.44Å; L285-A294 HydrophobicContact CD2-CB 3.98Å; L285-A294 HydrophobicContact CG-CB 3.9Å; L285-K295 HydrophobicContact CD1-CB 4.44Å; L285-K295 HydrophobicContact CD2-CB 3.99Å; L285-A298 HydrophobicContact CD1-CB 4.04Å
286S91Very high91.6Very high7 Ų742.9 Ų42.95%0.04922%0.219CC..Hα-helixtrans-67.3-37.1169.385.90000110.5S87 R91 L282 I283S87-S286 WeakPolarHBondContact O-CB 3.4Å; R91-S286 PolarHBondContact NH1-O 3.44Å; R91-S286 PolarHBondContact NH2-O 2.85Å; R91-S286 VanDerWaalsContact NH2-O 3.12Å; L282-S286 PolarHBondContact O-N 3.11Å; I283-S286 PolarHBondContact O-N 3.37Å; I283-S286 PolarHBondContact O-OG 2.94Å
287L88.7Confident91.8Very high54 Ų5443.2 Ų43.228%0.28322%0.219SC..Hα-helixtrans-75.1-47.1174.8-62.8172.6000112.9F256 I283 C284 L285F256-L287 HydrophobicContact CD1-CD2 4.2Å; I283-L287 HydrophobicContact CG2-CD1 4.34Å; I283-L287 WeakPolarHBondContact O-CG 3.35Å; I283-L287 PolarHBondContact O-N 3.49Å; I283-L287 VanDerWaalsContact O-N 3.08Å; C284-L287 PolarHBondContact O-N 3.42Å; L285-L287 VanDerWaalsContact C-N 3.33Å
288E88.1Confident91.8Very high56 Ų5643.2 Ų43.226%0.26222%0.219SC..  trans-135.688.8-175.7-173.3168-16000111.5K149 S258 C284 D290 C291K149-E288 IonicContact NZ-OE1 2.73Å; S258-E288 PolarHBondContact OG-OE2 2.86Å; C284-E288 PolarHBondContact O-N 3.23Å; E288-D290 PolarHBondContact O-N 3.46Å; E288-D290 VanDerWaalsContact O-N 3.16Å; E288-C291 HydrophobicContact CG-CB 4.37Å; E288-C291 VanDerWaalsContact O-CB 3.27Å; E288-C291 WeakPolarHBondContact O-CB 3.38Å; E288-C291 PolarHBondContact O-N 3.02Å; E288-C291 VanDerWaalsContact O-N 3.11Å
289P88.5Confident91.9Very high75 Ų7543.8 Ų43.849%0.48722%0.221SC..THydrogen-bonded Turntrans-59.6-28.4-176.2-27.335.7000115L285 C291L285-P289 WeakPolarHBondContact O-CA 3.4Å; P289-C291 PolarHBondContact O-N 2.77Å
290D86.4Confident92Very high115 Ų11544.9 Ų44.962%0.61522%0.224SC*.THydrogen-bonded Turntrans-78.10.5-179-67.3-15.7000113.2E288 R292E288-D290 PolarHBondContact O-N 3.46Å; E288-D290 VanDerWaalsContact O-N 3.16Å; D290-R292 PolarHBondContact O-N 2.9Å
291C89.4Confident91.9Very high22 Ų2244.3 Ų44.315%0.14922%0.221CC..  trans-68.689.3-176.6-169.70000112L285 E288 P289 L293 A294 K295L285-C291 HydrophobicContact CD2-CB 4.23Å; E288-C291 HydrophobicContact CG-CB 4.37Å; E288-C291 VanDerWaalsContact O-CB 3.27Å; E288-C291 WeakPolarHBondContact O-CB 3.38Å; E288-C291 PolarHBondContact O-N 3.02Å; E288-C291 VanDerWaalsContact O-N 3.11Å; P289-C291 PolarHBondContact O-N 2.77Å; C291-L293 VanDerWaalsContact C-N 3.26Å; C291-L293 PolarHBondContact O-N 3.34Å; C291-L293 VanDerWaalsContact O-N 3.16Å; C291-A294 HydrophobicContact CB-CB 4.04Å; C291-A294 PolarHBondContact O-N 2.86Å; C291-A294 VanDerWaalsContact O-N 3.13Å; C291-K295 PolarHBondContact O-N 3.33Å
292R90.8Very high91.6Very high188 Ų18844.2 Ų44.271%0.70922%0.221SC*.Hα-helixtrans-49.3-42.7-177.9-64.2-177.4-179.2173.50.8113.4D290 A296D290-R292 PolarHBondContact O-N 2.9Å; R292-A296 WeakPolarHBondContact O-CB 3.34Å; R292-A296 PolarHBondContact O-N 2.97Å
293L92.4Very high91.5Very high78 Ų7844.4 Ų44.441%0.40822%0.223SC..Hα-helixtrans-66.3-49.4-179.7176.361.3000111.9V262 C291 K295 A296 E297V262-L293 HydrophobicContact CG1-CD2 3.75Å; C291-L293 VanDerWaalsContact C-N 3.26Å; C291-L293 PolarHBondContact O-N 3.34Å; C291-L293 VanDerWaalsContact O-N 3.16Å; L293-K295 VanDerWaalsContact C-N 3.32Å; L293-K295 PolarHBondContact O-N 3.37Å; L293-A296 PolarHBondContact O-N 3.47Å; L293-E297 HydrophobicContact CD1-CG 4.33Å; L293-E297 PolarHBondContact O-N 3.49Å
294A93.8Very high91.3Very high0 Ų046.1 Ų46.10%023%0.232CC..Hα-helixtrans-64.1-38.3178.400000111.4Y281 C284 L285 C291 A298Y281-A294 HydrophobicContact CD1-CB 3.83Å; C284-A294 HydrophobicContact CB-CB 4.03Å; L285-A294 HydrophobicContact CD1-CB 4.44Å; L285-A294 HydrophobicContact CD2-CB 3.98Å; L285-A294 HydrophobicContact CG-CB 3.9Å; C291-A294 HydrophobicContact CB-CB 4.04Å; C291-A294 PolarHBondContact O-N 2.86Å; C291-A294 VanDerWaalsContact O-N 3.13Å; A294-A298 WeakPolarHBondContact O-CB 3.49Å; A294-A298 PolarHBondContact O-N 2.98Å
295K94.1Very high90.9Very high74 Ų7449.5 Ų49.532%0.32225%0.247SC..Hα-helixtrans-64.8-42.6175.8-173.7162.2-178.1167.30112.2S80 L285 C291 L293 H299S80-K295 PolarHBondContact OG-NZ 3.43Å; L285-K295 HydrophobicContact CD1-CB 4.44Å; L285-K295 HydrophobicContact CD2-CB 3.99Å; C291-K295 PolarHBondContact O-N 3.33Å; L293-K295 VanDerWaalsContact C-N 3.32Å; L293-K295 PolarHBondContact O-N 3.37Å; K295-H299 WeakPolarHBondContact CE-CE1 3.13Å; K295-H299 PolarHBondContact O-N 3.36Å; K295-H299 PolarHBondContact O-ND1 3.37Å
296A94.3Very high90.7Very high56 Ų5649.5 Ų49.546%0.46325%0.247SC..Hα-helixtrans-64.3-47.4177.600000112.3R292 L293 H299 R300R292-A296 WeakPolarHBondContact O-CB 3.34Å; R292-A296 PolarHBondContact O-N 2.97Å; L293-A296 PolarHBondContact O-N 3.47Å; A296-H299 PolarHBondContact O-N 3.3Å; A296-R300 PolarHBondContact O-N 3.4Å
297E94.5Very high90.3Very high51 Ų5151 Ų5124%0.23826%0.26CS..Hα-helixtrans-71-35.5178.9-72.1-63.9147.100112.8Y281 L293 R300 L301Y281-E297 HydrophobicContact CD1-CB 4.38Å; Y281-E297 HydrophobicContact CD2-CB 3.86Å; Y281-E297 HydrophobicContact CE1-CB 4.01Å; Y281-E297 HydrophobicContact CE1-CG 4.39Å; Y281-E297 HydrophobicContact CE2-CB 3.43Å; Y281-E297 VanDerWaalsContact CE2-CB 3.43Å; Y281-E297 HydrophobicContact CE2-CG 4.14Å; Y281-E297 HydrophobicContact CG-CB 4.32Å; L293-E297 HydrophobicContact CD1-CG 4.33Å; L293-E297 PolarHBondContact O-N 3.49Å; E297-R300 PolarHBondContact O-N 3Å; E297-R300 IonicContact OE1-NE 2.71Å; E297-R300 IonicContact OE2-CZ 3.91Å; E297-R300 VanDerWaalsContact OE2-CZ 3.29Å; E297-R300 IonicContact OE2-NE 3.26Å; E297-R300 PolarHBondContact OE2-NE 3.39Å; E297-R300 IonicContact OE2-NH2 3.43Å; E297-R300 PolarHBondContact OE2-NH2 2.79Å; E297-L301 WeakPolarHBondContact O-CB 3.35Å; E297-L301 WeakPolarHBondContact O-CG 3.42Å; E297-L301 PolarHBondContact O-N 2.89Å
298A93.6Very high89.6Confident0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-62.1-44.917300000111.7V83 L278 L285 A294 R300 L302V83-A298 HydrophobicContact CG1-CB 4.49Å; V83-A298 HydrophobicContact CG2-CB 4.18Å; L278-A298 HydrophobicContact CD1-CB 4.13Å; L285-A298 HydrophobicContact CD1-CB 4.04Å; A294-A298 WeakPolarHBondContact O-CB 3.49Å; A294-A298 PolarHBondContact O-N 2.98Å; A298-R300 PolarHBondContact O-N 3.01Å; A298-L302 VanDerWaalsContact O-CB 3.31Å; A298-L302 WeakPolarHBondContact O-CB 3.03Å; A298-L302 WeakPolarHBondContact O-CG 3.46Å; A298-L302 PolarHBondContact O-N 2.84Å
299H93.1Very high88.5Confident15 Ų1554.5 Ų54.57%0.06929%0.288CS..Hα-helixtrans-61.3-42.4173.5-67.3158.4000112.3P76 L79 S80 V83 K295 A296 S303P76-H299 HydrophobicContact CB-CB 4.41Å; P76-H299 PolarHBondContact O-CE1 3.33Å; L79-H299 VanDerWaalsContact CD1-O 3.29Å; L79-H299 WeakPolarHBondContact CD1-O 3.4Å; S80-H299 WeakPolarHBondContact CA-NE2 3.46Å; V83-H299 VanDerWaalsContact CG2-CD2 3.49Å; V83-H299 WeakPolarHBondContact CG2-CD2 2.87Å; K295-H299 WeakPolarHBondContact CE-CE1 3.13Å; K295-H299 PolarHBondContact O-N 3.36Å; K295-H299 PolarHBondContact O-ND1 3.37Å; A296-H299 PolarHBondContact O-N 3.3Å; H299-S303 WeakPolarHBondContact O-CB 3.5Å; H299-S303 PolarHBondContact O-N 3.29Å
300R93.6Very high86.9Confident89 Ų8956.8 Ų56.834%0.33630%0.3SS..Hα-helixtrans-63.6-52179.1-170.4-167.359.970.7-2.5110.9A296 E297 A298 L302 S303 D304A296-R300 PolarHBondContact O-N 3.4Å; E297-R300 PolarHBondContact O-N 3Å; E297-R300 IonicContact OE1-NE 2.71Å; E297-R300 IonicContact OE2-CZ 3.91Å; E297-R300 VanDerWaalsContact OE2-CZ 3.29Å; E297-R300 IonicContact OE2-NE 3.26Å; E297-R300 PolarHBondContact OE2-NE 3.39Å; E297-R300 IonicContact OE2-NH2 3.43Å; E297-R300 PolarHBondContact OE2-NH2 2.79Å; A298-R300 PolarHBondContact O-N 3.01Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.26Å; R300-S303 PolarHBondContact O-N 2.88Å; R300-D304 IonicContact CZ-OD2 3.84Å; R300-D304 IonicContact NH1-OD2 3.13Å; R300-D304 PolarHBondContact NH1-OD2 3.29Å; R300-D304 WeakPolarHBondContact O-CB 2.96Å; R300-D304 PolarHBondContact O-N 3.05Å
301L90.9Very high84.8Confident8 Ų859.2 Ų59.24%0.04231%0.314CS..Hα-helixtrans-61.9-38.6179.1-71.6174000112.4V269 T274 A277 L278 Y281 E297 D304 F305V269-L301 HydrophobicContact CG2-CD1 4.19Å; V269-L301 HydrophobicContact CG2-CD2 4.47Å; T274-L301 HydrophobicContact CG2-CD2 3.84Å; A277-L301 HydrophobicContact CB-CD1 4.05Å; L278-L301 HydrophobicContact CB-CB 4.32Å; L278-L301 HydrophobicContact CB-CD1 4.15Å; L278-L301 HydrophobicContact CD1-CB 4.24Å; Y281-L301 HydrophobicContact CD2-CD1 3.79Å; Y281-L301 HydrophobicContact CE2-CD1 3.9Å; E297-L301 WeakPolarHBondContact O-CB 3.35Å; E297-L301 WeakPolarHBondContact O-CG 3.42Å; E297-L301 PolarHBondContact O-N 2.89Å; L301-D304 PolarHBondContact O-N 3.04Å; L301-F305 WeakPolarHBondContact O-CB 3.34Å; L301-F305 PolarHBondContact O-N 3.25Å
302L90.2Very high82.3Confident2 Ų266.3 Ų66.31%0.0135%0.345CS..Hα-helixtrans-67-41.6173.1-81.5164.3000112.4F62 L79 L82 V83 L86 L278 A298 R300 D304 F305 L306F62-L302 HydrophobicContact CE1-CD2 4.46Å; L79-L302 HydrophobicContact CD1-CB 4.05Å; L82-L302 HydrophobicContact CD2-CD1 4.44Å; L82-L302 HydrophobicContact CD2-CD2 4.25Å; V83-L302 HydrophobicContact CG2-CD1 3.36Å; L86-L302 HydrophobicContact CD1-CD1 4.25Å; L86-L302 HydrophobicContact CD1-CD2 4.33Å; L278-L302 HydrophobicContact CD1-CD1 4.28Å; L278-L302 HydrophobicContact CD1-CG 3.9Å; L278-L302 HydrophobicContact CD2-CD2 3.73Å; L278-L302 HydrophobicContact CD2-CG 3.85Å; A298-L302 VanDerWaalsContact O-CB 3.31Å; A298-L302 WeakPolarHBondContact O-CB 3.03Å; A298-L302 WeakPolarHBondContact O-CG 3.46Å; A298-L302 PolarHBondContact O-N 2.84Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.26Å; L302-D304 VanDerWaalsContact C-N 3.26Å; L302-D304 PolarHBondContact O-N 3.13Å; L302-F305 PolarHBondContact O-N 3.03Å; L302-L306 VanDerWaalsContact O-CB 3.26Å; L302-L306 WeakPolarHBondContact O-CB 3.3Å; L302-L306 WeakPolarHBondContact O-CD1 3.22Å; L302-L306 VanDerWaalsContact O-CG 3.24Å; L302-L306 WeakPolarHBondContact O-CG 3.44Å; L302-L306 PolarHBondContact O-N 2.83Å
303S90Very high80Confident7 Ų763 Ų635%0.04935%0.345CS..Hα-helixtrans-64.4-32.5175.5178.80000112.6K73 L74 H299 R300K73-S303 WeakPolarHBondContact CE-OG 2.86Å; K73-S303 WeakPolarHBondContact CG-OG 3.47Å; L74-S303 PolarHBondContact O-OG 3.42Å; H299-S303 WeakPolarHBondContact O-CB 3.5Å; H299-S303 PolarHBondContact O-N 3.29Å; R300-S303 PolarHBondContact O-N 2.88Å
304D87.8Confident77.4Confident67 Ų6764.8 Ų64.836%0.35836%0.361SS..Hα-helixtrans-79.4-35.3177.6-62.4-25.7000110.8K73 R300 L301 L302 A307K73-D304 IonicContact NZ-OD1 2.66Å; K73-D304 PolarHBondContact NZ-OD1 3.18Å; R300-D304 IonicContact CZ-OD2 3.84Å; R300-D304 IonicContact NH1-OD2 3.13Å; R300-D304 PolarHBondContact NH1-OD2 3.29Å; R300-D304 WeakPolarHBondContact O-CB 2.96Å; R300-D304 PolarHBondContact O-N 3.05Å; L301-D304 PolarHBondContact O-N 3.04Å; L302-D304 VanDerWaalsContact C-N 3.26Å; L302-D304 PolarHBondContact O-N 3.13Å; D304-A307 WeakPolarHBondContact O-CB 3.45Å
305F85.9Confident74.8Confident71 Ų7173.3 Ų73.331%0.31140%0.401SS..Hα-helixtrans-70.2-36.5175.1179.9-90.8000113.4F62 L301 L302 A307 F323F62-F305 HydrophobicContact CD1-CE1 4.33Å; F62-F305 HydrophobicContact CE1-CE1 4.16Å; L301-F305 WeakPolarHBondContact O-CB 3.34Å; L301-F305 PolarHBondContact O-N 3.25Å; L302-F305 PolarHBondContact O-N 3.03Å; F305-A307 VanDerWaalsContact C-N 3.32Å; F305-F323 HydrophobicContact CE1-CE2 4.43Å; F305-F323 HydrophobicContact CE2-CE2 4.38Å; F305-F323 HydrophobicContact CE2-CZ 4.23Å; F305-F323 AromaticContact CZ-CE2 3.97Å; F305-F323 HydrophobicContact CZ-CE2 3.97Å; F305-F323 HydrophobicContact CZ-CZ 4.27Å
306L86.9Confident72.4Confident5 Ų576.4 Ų76.43%0.02642%0.416CS..SBendtrans-81.8-9.4179.7-70166.4000113.3F62 Y65 S69 L74 L79 L82 L302F62-L306 HydrophobicContact CD1-CD2 3.87Å; F62-L306 HydrophobicContact CE1-CD2 4.36Å; Y65-L306 HydrophobicContact CG-CD1 4.39Å; S69-L306 WeakPolarHBondContact CB-O 3.45Å; S69-L306 PolarHBondContact OG-O 3.49Å; L74-L306 HydrophobicContact CD1-CB 4.18Å; L74-L306 HydrophobicContact CD1-CD1 3.8Å; L79-L306 HydrophobicContact CD2-CD1 3.71Å; L82-L306 HydrophobicContact CD2-CD1 4.18Å; L302-L306 VanDerWaalsContact O-CB 3.26Å; L302-L306 WeakPolarHBondContact O-CB 3.3Å; L302-L306 WeakPolarHBondContact O-CD1 3.22Å; L302-L306 VanDerWaalsContact O-CG 3.24Å; L302-L306 WeakPolarHBondContact O-CG 3.44Å; L302-L306 PolarHBondContact O-N 2.83Å
307A83.7Confident69.9Low38 Ų3881.2 Ų81.231%0.31443%0.433SS..SBendtrans-63.9154-176.900000112.5D304 F305 V309D304-A307 WeakPolarHBondContact O-CB 3.45Å; F305-A307 VanDerWaalsContact C-N 3.32Å; A307-V309 PolarHBondContact O-N 3.06Å
308P74.7Confident67.3Low60 Ų6083.8 Ų83.839%0.3946%0.456SS..  trans-62.5132178.6-21.234.1000111.6S69 E70 T310S69-P308 WeakPolarHBondContact OG-CD 3.29Å; E70-P308 HydrophobicContact CB-CG 4.47Å; E70-P308 HydrophobicContact CG-CB 4.44Å; E70-P308 HydrophobicContact CG-CG 3.87Å; P308-T310 PolarHBondContact O-N 2.84Å
309V64.8Low64.9Low124 Ų12484.5 Ų84.575%0.75246%0.464SS*.  trans-72.2110.6-179.9-178.90000109.9A307A307-V309 PolarHBondContact O-N 3.06Å
310T53.6Low62.6Low122 Ų12286 Ų8675%0.74848%0.476SS*.  trans-94.193.9176.4560000111.6P308 Q312P308-T310 PolarHBondContact O-N 2.84Å; T310-Q312 PolarHBondContact O-N 2.94Å
311D42.3Very low60.3Low167 Ų16786.7 Ų86.789%0.89349%0.49SS*.SBendtrans41.620.1158-79.2-11.3000120.7
312Q38Very low58.5Low171 Ų17190.6 Ų90.680%0.79951%0.511SS*.  trans-129.199165.2-65.7-169.819.900109.6T310 P314T310-Q312 PolarHBondContact O-N 2.94Å; Q312-P314 WeakPolarHBondContact O-CD 3.23Å
313V41.2Very low56.7Low119 Ų11991.3 Ų91.372%0.72151%0.514SS*.  trans-61.5130.5179.4178.40000110.3E315V313-E315 HydrophobicContact CG1-CG 3.85Å
314P38.1Very low54.7Low115 Ų11593.2 Ų93.275%0.74752%0.523SS*.  -114.7136.9114.5-11.329.4000112.7Q312 H316Q312-P314 WeakPolarHBondContact O-CD 3.23Å; P314-H316 PolarHBondContact O-N 3.44Å
315E40Very low52.9Low178 Ų17893.7 Ų93.783%0.83253%0.531SS*.  trans-69.494173.1-64.6-178.2140.800110.6V313V313-E315 HydrophobicContact CG1-CG 3.85Å
316H42.9Very low51Low139 Ų13991.9 Ų91.964%0.64453%0.528SS*.  trans-137.624.6171.4-129.5-97.6000114.3P314 S318 G319P314-H316 PolarHBondContact O-N 3.44Å; H316-S318 PolarHBondContact O-N 3.27Å; H316-S318 VanDerWaalsContact O-N 3.14Å; H316-G319 PolarHBondContact O-N 2.96Å
317I43.1Very low48.6Very low158 Ų158101.9 Ų101.981%0.8157%0.565SS**G310 helixtrans-68.7-12.2-175.8-59.3176.2000112.8G319I317-G319 PolarHBondContact O-N 3.46Å; I317-G319 VanDerWaalsContact O-N 3.12Å
318S38.3Very low46.5Very low105 Ų105103 Ų10373%0.73457%0.574SS**G310 helixtrans-72.64.5174.6-155.70000114.3H316 N322H316-S318 PolarHBondContact O-N 3.27Å; H316-S318 VanDerWaalsContact O-N 3.14Å; S318-N322 PolarHBondContact O-ND2 2.94Å; S318-N322 VanDerWaalsContact O-ND2 3.1Å
319G44.3Very low45.1Very low15 Ų15106.6 Ų106.616%0.15559%0.586CS.*G310 helixtrans-83.1-28.4-171.300000117H316 I317 T321 N322H316-G319 PolarHBondContact O-N 2.96Å; I317-G319 PolarHBondContact O-N 3.46Å; I317-G319 VanDerWaalsContact O-N 3.12Å; G319-T321 VanDerWaalsContact C-N 3.29Å; G319-T321 PolarHBondContact O-N 3.17Å; G319-T321 VanDerWaalsContact O-N 3.11Å; G319-N322 WeakPolarHBondContact O-CB 3.26Å; G319-N322 PolarHBondContact O-N 3.02Å
320C43.8Very low43.8Very low47 Ų47103 Ų10332%0.31856%0.561SS.*THydrogen-bonded Turntrans-60.4-30.2-164.2-70.40000115.3
321T45.2Very low42.9Very low103 Ų103103.9 Ų103.963%0.63256%0.555SS**THydrogen-bonded Turntrans-83-19.2176.648.50000113.4G319 L324G319-T321 VanDerWaalsContact C-N 3.29Å; G319-T321 PolarHBondContact O-N 3.17Å; G319-T321 VanDerWaalsContact O-N 3.11Å; T321-L324 PolarHBondContact O-N 3.5Å
322N53Low42.5Very low90 Ų9098 Ų9848%0.48153%0.527SS..G310 helixtrans-80.5-17.1-172.6-73.5-48.6000114.1S318 G319 L324 S325S318-N322 PolarHBondContact O-ND2 2.94Å; S318-N322 VanDerWaalsContact O-ND2 3.1Å; G319-N322 WeakPolarHBondContact O-CB 3.26Å; G319-N322 PolarHBondContact O-N 3.02Å; N322-L324 PolarHBondContact O-N 3.33Å; N322-L324 VanDerWaalsContact O-N 3.16Å; N322-S325 PolarHBondContact O-N 3.45Å; N322-S325 VanDerWaalsContact O-N 3.13Å
323F52.3Low42.4Very low17 Ų1791.9 Ų91.98%0.07550%0.503CS..G310 helixtrans-59.7-22.3171.7-67.1-75.4000113.3L278 K279 F305L278-F323 HydrophobicContact CD2-CE1 4.06Å; L278-F323 HydrophobicContact CD2-CZ 4.32Å; L278-F323 HydrophobicContact CG-CE1 4.45Å; K279-F323 HydrophobicContact CD-CD1 4.45Å; K279-F323 HydrophobicContact CG-CD1 3.69Å; K279-F323 HydrophobicContact CG-CE1 4.02Å; F305-F323 HydrophobicContact CE1-CE2 4.43Å; F305-F323 HydrophobicContact CE2-CE2 4.38Å; F305-F323 HydrophobicContact CE2-CZ 4.23Å; F305-F323 AromaticContact CZ-CE2 3.97Å; F305-F323 HydrophobicContact CZ-CE2 3.97Å; F305-F323 HydrophobicContact CZ-CZ 4.27Å
324L49.6Very low42.2Very low46 Ų4691 Ų9124%0.24149%0.493CS..G310 helixtrans-101.29.6-179.9-62.9172.3000113.1V58 Q93 T321 N322V58-L324 HydrophobicContact CG1-CD1 4.3Å; V58-L324 HydrophobicContact CG2-CD1 4.18Å; Q93-L324 PolarHBondContact NE2-O 2.91Å; Q93-L324 PolarHBondContact OE1-O 2.88Å; T321-L324 PolarHBondContact O-N 3.5Å; N322-L324 PolarHBondContact O-N 3.33Å; N322-L324 VanDerWaalsContact O-N 3.16Å
325S49.2Very low41.7Very low77 Ų7790.5 Ų90.554%0.53849%0.488SS..  trans-98.627-177-154.10000113.6N322 R327N322-S325 PolarHBondContact O-N 3.45Å; N322-S325 VanDerWaalsContact O-N 3.13Å; S325-R327 PolarHBondContact O-N 2.99Å
326S46.5Very low41.1Very low33 Ų3388.5 Ų88.523%0.23148%0.479CS..THydrogen-bonded Turntrans-65.81.2-166-58.30000116.6A328S326-A328 PolarHBondContact O-N 3.14Å; S326-A328 VanDerWaalsContact O-N 3.09Å
327R36.4Very low40.2Very low216 Ų21687 Ų8782%0.81548%0.482SS*.THydrogen-bonded Turntrans-64.1-15.6-176.5-156173.2-170.2168.12.8114.2S325S325-R327 PolarHBondContact O-N 2.99Å
328A39.6Very low39.6Very low61 Ų6186.5 Ų86.550%0.50448%0.479SS..THydrogen-bonded Turntrans-81.5-48.5-178.500000113.9S326 S332S326-A328 PolarHBondContact O-N 3.14Å; S326-A328 VanDerWaalsContact O-N 3.09Å; A328-S332 WeakPolarHBondContact O-CB 3.48Å; A328-S332 PolarHBondContact O-N 2.97Å; A328-S332 PolarHBondContact O-OG 3.02Å
329H44.3Very low39Very low136 Ų13689.7 Ų89.763%0.6348%0.482SS*.Hα-helixtrans-78.8-40.4-162.9-76.5-59.9000115.4K331 S332 S333H329-K331 VanDerWaalsContact C-N 3.28Å; H329-K331 PolarHBondContact O-N 3.41Å; H329-S332 PolarHBondContact O-N 3.42Å; H329-S332 PolarHBondContact O-OG 2.68Å; H329-S333 WeakPolarHBondContact O-CB 3.45Å; H329-S333 PolarHBondContact O-N 3Å; H329-S333 PolarHBondContact O-OG 3.17Å; H329-S333 VanDerWaalsContact O-OG 3.14Å
330I38.8Very low38Very low47 Ų4794.3 Ų94.324%0.24151%0.508CS..Hα-helixtrans-64.7-38.4176.2-63.7172.4000109.7I334I330-I334 HydrophobicContact CG2-CD1 4.2Å; I330-I334 VanDerWaalsContact O-CD1 3.3Å; I330-I334 WeakPolarHBondContact O-CD1 3.37Å; I330-I334 VanDerWaalsContact O-CG1 3.28Å; I330-I334 WeakPolarHBondContact O-CG1 3.34Å; I330-I334 PolarHBondContact O-N 3.1Å
331K33.5Very low37.3Very low142 Ų14297 Ų9762%0.61752%0.522SS*.Hα-helixtrans-69-44.2173.4-97.1-171.2170.8-167.10113.1H329 S333 I334 T335H329-K331 VanDerWaalsContact C-N 3.28Å; H329-K331 PolarHBondContact O-N 3.41Å; K331-S333 VanDerWaalsContact C-N 3.3Å; K331-S333 PolarHBondContact O-N 2.8Å; K331-I334 WeakPolarHBondContact O-CB 3.29Å; K331-I334 PolarHBondContact O-N 3.02Å; K331-T335 PolarHBondContact O-N 2.61Å; K331-T335 PolarHBondContact O-OG1 3.46Å; K331-T335 VanDerWaalsContact O-OG1 3.14Å
332S35.1Very low36.2Very low43 Ų4396 Ų9630%0.30152%0.52SS..Hα-helixtrans-63.2-37.8-179.373.80000111.8A328 H329 I334 T335 E336A328-S332 WeakPolarHBondContact O-CB 3.48Å; A328-S332 PolarHBondContact O-N 2.97Å; A328-S332 PolarHBondContact O-OG 3.02Å; H329-S332 PolarHBondContact O-N 3.42Å; H329-S332 PolarHBondContact O-OG 2.68Å; S332-I334 PolarHBondContact O-N 3.38Å; S332-T335 PolarHBondContact O-N 3.42Å; S332-E336 PolarHBondContact O-N 2.8Å
333S36.2Very low34.9Very low42 Ų4297 Ų9729%0.29453%0.531SS..Hα-helixtrans-65.7-18.1173-62.60000114.3H329 K331H329-S333 WeakPolarHBondContact O-CB 3.45Å; H329-S333 PolarHBondContact O-N 3Å; H329-S333 PolarHBondContact O-OG 3.17Å; H329-S333 VanDerWaalsContact O-OG 3.14Å; K331-S333 VanDerWaalsContact C-N 3.3Å; K331-S333 PolarHBondContact O-N 2.8Å
334I36.2Very low33.6Very low100 Ų10099.6 Ų99.651%0.51356%0.563SS.*Hα-helixtrans-92.7-24.7175.4-67.3165.9000111.7I330 K331 S332I330-I334 HydrophobicContact CG2-CD1 4.2Å; I330-I334 VanDerWaalsContact O-CD1 3.3Å; I330-I334 WeakPolarHBondContact O-CD1 3.37Å; I330-I334 VanDerWaalsContact O-CG1 3.28Å; I330-I334 WeakPolarHBondContact O-CG1 3.34Å; I330-I334 PolarHBondContact O-N 3.1Å; K331-I334 WeakPolarHBondContact O-CB 3.29Å; K331-I334 PolarHBondContact O-N 3.02Å; S332-I334 PolarHBondContact O-N 3.38Å
335T27.4Very low32.5Very low106 Ų106101.7 Ų101.765%0.6558%0.581SS**Hα-helixtrans-102.7-9-173.653.80000116.3K331 S332K331-T335 PolarHBondContact O-N 2.61Å; K331-T335 PolarHBondContact O-OG1 3.46Å; K331-T335 VanDerWaalsContact O-OG1 3.14Å; S332-T335 PolarHBondContact O-N 3.42Å
336E26.9Very low31.6Very low135 Ų135103.7 Ų103.763%0.63159%0.585SS**SBendtrans-77.8125.2170.6-74.8-170.9169.300110.8S332S332-E336 PolarHBondContact O-N 2.8Å
337P24.5Very low31Very low109 Ų109111.1 Ų111.171%0.70861%0.614SS**  trans-65.8143175.327.8-33.7000110.3Q339P337-Q339 PolarHBondContact O-N 3.43Å
338I29.4Very low30.6Very low147 Ų147107.4 Ų107.475%0.75462%0.615SS**  trans-61.799.6177.4-58172.4000108.8T340I338-T340 HydrophobicContact CG2-CG2 4.38Å; I338-T340 PolarHBondContact O-N 2.76Å
339Q25.7Very low29.9Very low171 Ų171113.6 Ų113.680%0.79963%0.634SS**  trans-71.497.4165.2-70.9-170.34.400108.2P337 V341P337-Q339 PolarHBondContact O-N 3.43Å; Q339-V341 PolarHBondContact O-N 2.85Å
340T25.2Very low28.9Very low112 Ų112115 Ų11569%0.68765%0.645SS**  trans-60.7100.7167.644.50000109I338 S342I338-T340 HydrophobicContact CG2-CG2 4.38Å; I338-T340 PolarHBondContact O-N 2.76Å; T340-S342 PolarHBondContact O-N 3.48Å; T340-S342 VanDerWaalsContact O-N 3.1Å
341V27.2Very low28.3Very low104 Ų104119 Ų11963%0.6367%0.674SS**  trans-69.7107.1173.8-176.60000107.9Q339Q339-V341 PolarHBondContact O-N 2.85Å
342S23.1Very low28Very low83 Ų83121.4 Ų121.458%0.5869%0.687SS**  trans-54.7137.9175.9-60.70000110.9T340 G344 S345T340-S342 PolarHBondContact O-N 3.48Å; T340-S342 VanDerWaalsContact O-N 3.1Å; S342-G344 PolarHBondContact O-N 3.5Å; S342-S345 PolarHBondContact O-OG 3.05Å
343P25.4Very low27.5Very low109 Ų109124.5 Ų124.571%0.70871%0.709SS**THydrogen-bonded Turntrans-61.8-7.4-174.5-2634.9000116.6
344G24.8Very low26.9Very low72 Ų72129 Ų12974%0.74274%0.735SS**THydrogen-bonded Turntrans-86-10.8-172.900000116.7S342S342-G344 PolarHBondContact O-N 3.5Å
345S26.3Very low26.3Very low91 Ų91129.3 Ų129.364%0.63675%0.753SS**SBendtrans-104.68.9-171.848.70000115.4S342S342-S345 PolarHBondContact O-OG 3.05Å
346L31.6Very low26.1Very low118 Ų118128 Ų12862%0.61876%0.76SS**SBendtrans-99.43-179.7-80.6168.2000115.1
347F32.6Very low25.8Very low190 Ų190133 Ų13383%0.83377%0.773SS**SBendtrans-137.753.7-173.4-74.6-75000115.2
348T28.5Very low25.7Very low137 Ų137133.4 Ų133.484%0.8478%0.778SS**  trans-149.797.1155.3-31.80000111
349E24.7Very low25.3Very low192 Ų192132.7 Ų132.790%0.89778%0.776SS**  trans-172.186.6143.9-78.8-137.1154.700108.2
350L24.1Very low25.2Very low164 Ų164134.6 Ų134.686%0.85978%0.776SS**PPolyproline II helixtrans-100.7132.9155.3-99.782.3000107.5Q352L350-Q352 PolarHBondContact O-N 3.2Å
351P26.9Very low25Very low132 Ų132134.3 Ų134.386%0.85778%0.778SS**PPolyproline II helixtrans-72.6116.1173.5-6.521.7000109.8
352Q26.2Very low24.8Very low192 Ų192137.3 Ų137.390%0.89779%0.79SS**PPolyproline II helixtrans-93.2132.3166.5-74.8-170.6-7.600110.7L350L350-Q352 PolarHBondContact O-N 3.2Å
353S24.8Very low24.7Very low109 Ų109144.1 Ų144.176%0.76280%0.803SS**PPolyproline II helixtrans-73.8127.3178.552.80000112.6
354T24.2Very low24.5Very low135 Ų135148.7 Ų148.783%0.82881%0.812SS**  trans16.9112.2147.556.40000119.4
355A23Very low24.3Very low108 Ų108150.5 Ų150.589%0.89381%0.809SS**  177.8140.3124.100000114.1
356G22.6Very low24.1Very low77 Ų77153.1 Ų153.179%0.79482%0.815SS**  trans95.874.4134.400000122.7
357R21.6Very low23.6Very low241 Ų241153 Ų15391%0.90983%0.825SS**  trans43140.3133.8-97.4-178.5171.7-177-2.6124
358S22.2Very low23.1Very low117 Ų117151.2 Ų151.282%0.81882%0.824SS**  trans69.9150.8147.458.20000119.8
359D21.2Very low22.9Very low132 Ų132151.3 Ų151.371%0.70682%0.819SS**  cis-165165.5-21.7179.629.5000108.4
360R23.3Very low22.8Very low211 Ų211148.3 Ų148.380%0.79681%0.808SS**  trans64.9100.1160.9-81.3160.9-178.8-128.1-5122.5
361S20Very low22.8Very low106 Ų106148.4 Ų148.474%0.74180%0.801SS**  55.7137.496.4-155.50000123.3
362L23.6Very low22.5Very low167 Ų167153.3 Ų153.387%0.87480%0.803SS**  trans105.2139.7146.8-84.8154.3000121.9
363R20.9Very low22.2Very low227 Ų227154 Ų15486%0.85780%0.803SS**  trans-92.3157.7-172.2-54166.2171.5-179.5-5.2111.8
364K21.8Very low22Very low204 Ų204158.4 Ų158.489%0.88780%0.803SS**  -179.3157.4113-100.3176.2-178-176.40116.3
365T20.5Very low21.9Very low110 Ų110164 Ų16468%0.67581%0.808SS**  trans-64.2149.8-176.344.50000119.5
366D22Very low21.7Very low146 Ų146164.3 Ų164.378%0.78180%0.795SS**  trans51.1129.5134.4-54.7-36.9000123.9
367S21.8Very low21.7Very low117 Ų117167.7 Ų167.782%0.81880%0.8SS**  179107.6117.536.40000116
368N21.7Very low21.7Very low152 Ų152164.4 Ų164.481%0.81380%0.795SS**  40.5139.1114.3-113-9.5000123.8
369L23.5Very low21.8Very low139 Ų139167.1 Ų167.173%0.72880%0.795SS**  trans116.6116.5137.6-71.4163.4000123.7
370L23.2Very low21.8Very low129 Ų129169.8 Ų169.868%0.67580%0.803SS**  104.7129124.2-73.3167.1000126
371K22.8Very low21.8Very low165 Ų165163.5 Ų163.572%0.71780%0.804SS**  trans98.699130.7-81.2163.9-174.8171.30123.4
372R21Very low21.7Very low236 Ų236167.6 Ų167.689%0.89181%0.811SS**  60.6120102.1-172.2-173.9-166.9-177.65.8120.6
373K21.2Very low21.9Very low206 Ų206164.1 Ų164.190%0.89680%0.799SS**  -175.5153.7113.9-151.3159.3179.2177.40113.8
374R20.5Very low22.1Very low202 Ų202161.1 Ų161.176%0.76280%0.795SS**  trans-86.8167.7179.1-67.4-175.7176.7-173.2-2114.6D376R374-D376 IonicContact NH1-OD2 3.97Å
375R20.4Very low22.1Very low251 Ų251160 Ų16095%0.94779%0.792SS**  -155.8156.3122.7-102.2-179-146.8-162.55.9112
376D20.3Very low22.1Very low115 Ų115163.1 Ų163.162%0.61580%0.8SS**  trans-116.1157.5-170.2-42.4-89.1000111.2R374R374-D376 IonicContact NH1-OD2 3.97Å
377V22.9Very low22.2Very low148 Ų148164.1 Ų164.190%0.89780%0.803SS**  trans-150.4153.7154-179.70000108.1
378E21.8Very low22.3Very low172 Ų172162 Ų16280%0.80480%0.8SS**  trans-112.3-172-153.2-63164.8129.700115.9
379E23.4Very low22.2Very low174 Ų174163.2 Ų163.281%0.81380%0.8SS**  trans79.6141161-55-172.5157.800119.8
380E20.7Very low22.3Very low189 Ų189166.1 Ų166.188%0.88381%0.81SS**  cis-163.3159.8-25.1-113.9-160.3175.900108.2
381G23.1Very low22.1Very low79 Ų79169 Ų16981%0.81482%0.817SS**  trans136.583.8162.700000118.7
382E19Very low22.1Very low191 Ų191170.5 Ų170.589%0.89382%0.824SS**  trans-120.9177.8159-92.7-169.4-175.300108.2
383P28.3Very low22.1Very low95 Ų95164.3 Ų164.362%0.61782%0.817SS**  cis-121.4-155.7144-28.3000111
384Q23.2Very low22.1Very low164 Ų164164.9 Ų164.977%0.76682%0.819SS**  cis-152.4-169.9-2.9-131.7139.44.500106.2
385E23Very low22.2Very low179 Ų179160.1 Ų160.184%0.83682%0.816SS**  cis-141160.610.9-130.7175.1-161.300110.5
386E21.2Very low22.5Very low177 Ų177157.1 Ų157.183%0.82781%0.813SS**  trans-81.5-178.4-172.5-57.9-179.6128.700112
387I23.8Very low22.7Very low167 Ų167159.7 Ų159.786%0.85682%0.821SS**  cis-162.3146.841.9-64.8171.9000109.3
388G22.3Very low22.7Very low73 Ų73159.3 Ų159.375%0.75382%0.819SS**  trans150.956156.400000119.4
389H21.3Very low22.9Very low177 Ų177160.7 Ų160.782%0.81983%0.825SS**  trans-67.3144.4173.6-76-50.6000114.4
390Q24.5Very low23Very low199 Ų199155.2 Ų155.293%0.9382%0.816SS**  -155.5134.9119.3-112.3172.556.100113.9
391K20.1Very low23.6Very low189 Ų189153 Ų15382%0.82281%0.809SS**  trans-83.5150.5-178.1-67.7167.7174.3168.20111.7
392K21.9Very low23.8Very low198 Ų198156.7 Ų156.786%0.86181%0.81SS**  trans-155.1119.8138.3-112.5161.7-172.8175.80113.5
393S22Very low24.7Very low106 Ų106152.6 Ų152.674%0.74180%0.803SS**  trans38.1109.3154.2540000120.1C395S393-C395 PolarHBondContact O-N 3.43Å
394K21.4Very low25.6Very low217 Ų217152.6 Ų152.694%0.94380%0.797SS**  trans-56.6129.4147.4-100.7-176.8172-1760109.2
395C20.6Very low27Very low102 Ų102146 Ų14669%0.68977%0.773SS**  trans-122.1126.9158-1710000106.5S393 Q397S393-C395 PolarHBondContact O-N 3.43Å; C395-Q397 PolarHBondContact O-N 2.93Å
396E28.1Very low28.8Very low189 Ų189140.8 Ų140.888%0.88376%0.761SS**  trans-71.4109.8176.4-68174.414400108.3
397Q24.2Very low31Very low169 Ų169133.1 Ų133.179%0.7973%0.726SS**  trans-97.8112.7175.4-73.3-173-1200110.2C395C395-Q397 PolarHBondContact O-N 2.93Å
398T22.8Very low33.5Very low140 Ų140127.8 Ų127.886%0.85970%0.703SS**  trans-39.2130.7161.7-0.80000111.1G400T398-G400 PolarHBondContact O-N 2.85Å
399Q26.3Very low35.8Very low200 Ų200129 Ų12994%0.93570%0.701SS**  trans-64.9107176-71.4176.9-24.500110.1
400G24.1Very low38.3Very low59 Ų59127.7 Ų127.761%0.60870%0.7SS**  trans-79.8140.3176.600000112.5T398 D402T398-G400 PolarHBondContact O-N 2.85Å; G400-D402 VanDerWaalsContact C-N 3.29Å; G400-D402 PolarHBondContact O-N 2.91Å; G400-D402 VanDerWaalsContact O-N 3.07Å
401L34.9Very low41Very low144 Ų144121.3 Ų121.375%0.75467%0.671SS**SBendtrans-84.655.2-173.9-169.571.6000112.3
402D27.7Very low44Very low155 Ų155114.6 Ų114.683%0.82964%0.644SS**  trans-102-1.1-172.7-76.7-39.3000115.2G400G400-D402 VanDerWaalsContact C-N 3.29Å; G400-D402 PolarHBondContact O-N 2.91Å; G400-D402 VanDerWaalsContact O-N 3.07Å
403S37Very low47Very low105 Ų105108 Ų10873%0.73462%0.618SS**  trans-11432.1-166.8-52.10000115.7G405S403-G405 VanDerWaalsContact C-N 3.28Å; S403-G405 PolarHBondContact O-N 3.01Å
404L48Very low50Low95 Ų95105.4 Ų105.450%0.49760%0.599SS.*SBendtrans-76.8-10.2176.1-83.1163.9000114.2F113F113-L404 WeakPolarHBondContact CE2-O 3.31Å; F113-L404 VanDerWaalsContact CZ-O 3.32Å; F113-L404 WeakPolarHBondContact CZ-O 3.25Å
405G51.5Low53.2Low26 Ų2698.8 Ų98.827%0.26858%0.577SS.*SBendtrans-109.9-3-168.100000117.1F113 S403F113-G405 WeakPolarHBondContact CE1-O 3.38Å; F113-G405 VanDerWaalsContact CZ-CA 3.42Å; F113-G405 WeakPolarHBondContact CZ-O 3.49Å; S403-G405 VanDerWaalsContact C-N 3.28Å; S403-G405 PolarHBondContact O-N 3.01Å
406A60.2Low56.5Low70 Ų7096 Ų9658%0.57956%0.555SS**SBendtrans-124.6145.3-176.500000110.9
407V68.2Low59.6Low15 Ų1587 Ų879%0.09151%0.513CS..  trans-67.4136.1168.3-170.60000107.5W183 F184 S409 L411 L412 Y482W183-V407 HydrophobicContact CB-CG1 3.91Å; W183-V407 HydrophobicContact CB-CG2 4.17Å; W183-V407 HydrophobicContact CD2-CG1 4.31Å; W183-V407 HydrophobicContact CD2-CG2 4.44Å; W183-V407 HydrophobicContact CE3-CG2 4.03Å; W183-V407 HydrophobicContact CG-CG1 4Å; F184-V407 HydrophobicContact CE1-CG2 3.56Å; F184-V407 HydrophobicContact CE2-CG2 4.09Å; F184-V407 HydrophobicContact CZ-CG2 3.25Å; V407-S409 PolarHBondContact O-N 3.3Å; V407-L411 HydrophobicContact CG1-CB 4.09Å; V407-L412 HydrophobicContact CB-CD2 3.99Å; V407-L412 HydrophobicContact CB-CG 4.22Å; V407-L412 HydrophobicContact CG1-CD2 3.65Å; V407-L412 HydrophobicContact CG1-CG 3.83Å; V407-L412 HydrophobicContact CG2-CD2 4.33Å; V407-Y482 HydrophobicContact CB-CE1 4.18Å; V407-Y482 HydrophobicContact CG2-CD1 4.37Å; V407-Y482 HydrophobicContact CG2-CE1 3.65Å
408S75.3Confident63Low55 Ų5582.3 Ų82.339%0.38549%0.491SS..  trans-62137.1171.1-166.30000109.3D410 L411S408-D410 PolarHBondContact O-N 2.93Å; S408-D410 PolarHBondContact OG-OD2 3.04Å; S408-D410 VanDerWaalsContact OG-OD2 3.05Å; S408-L411 PolarHBondContact O-N 2.8Å
409S71.2Confident66.6Low100 Ų10075.7 Ų75.770%0.69945%0.45SS*.G310 helixtrans-56.6-26.7176.6-165.40000112.3V407 L411V407-S409 PolarHBondContact O-N 3.3Å; S409-L411 VanDerWaalsContact C-N 3.27Å; S409-L411 PolarHBondContact O-N 3.28Å
410D74.9Confident69.8Low149 Ų14968.4 Ų68.480%0.79742%0.422SS*.G310 helixtrans-75.5-11.2179.1-40.5-54.8000113.9S408S408-D410 PolarHBondContact O-N 2.93Å; S408-D410 PolarHBondContact OG-OD2 3.04Å; S408-D410 VanDerWaalsContact OG-OD2 3.05Å
411L80Confident73.2Confident64 Ų6468.5 Ų68.534%0.33541%0.408SS..G310 helixtrans-103.5-13.6179.9-65.9174.9000113.2W183 V407 S408 S409 D413W183-L411 PolarHBondContact NE1-O 2.85Å; V407-L411 HydrophobicContact CG1-CB 4.09Å; S408-L411 PolarHBondContact O-N 2.8Å; S409-L411 VanDerWaalsContact C-N 3.27Å; S409-L411 PolarHBondContact O-N 3.28Å; L411-D413 PolarHBondContact O-N 2.87Å
412L82.8Confident76.1Confident48 Ų4863.5 Ų63.525%0.25139%0.385SS..  trans-78.9111.4176.8-68.4175.4000109.3W183 V407 Y482W183-L412 HydrophobicContact CD2-CD2 4.03Å; W183-L412 HydrophobicContact CE3-CD2 4.11Å; W183-L412 HydrophobicContact CH2-CD2 3.67Å; W183-L412 HydrophobicContact CZ2-CD2 3.6Å; W183-L412 HydrophobicContact CZ3-CD2 3.95Å; V407-L412 HydrophobicContact CB-CD2 3.99Å; V407-L412 HydrophobicContact CB-CG 4.22Å; V407-L412 HydrophobicContact CG1-CD2 3.65Å; V407-L412 HydrophobicContact CG1-CG 3.83Å; V407-L412 HydrophobicContact CG2-CD2 4.33Å; L412-Y482 HydrophobicContact CD1-CD1 4.03Å; L412-Y482 HydrophobicContact CD2-CD1 3.9Å; L412-Y482 HydrophobicContact CD2-CG 4.12Å
413D84.9Confident79.3Confident59 Ų5962.3 Ų62.332%0.31638%0.376SS..  trans-123.9118.5177.1-173-25.2000108K182 L411 T415 D416K182-D413 IonicContact NZ-OD2 3.77Å; L411-D413 PolarHBondContact O-N 2.87Å; D413-T415 PolarHBondContact O-N 2.92Å; D413-T415 VanDerWaalsContact O-N 3.08Å; D413-T415 WeakPolarHBondContact OD1-CB 3.44Å; D413-T415 WeakPolarHBondContact OD1-CG2 3.5Å; D413-T415 PolarHBondContact OD1-N 2.8Å; D413-T415 PolarHBondContact OD1-OG1 2.84Å; D413-T415 PolarHBondContact OD2-OG1 2.96Å; D413-D416 WeakPolarHBondContact O-CB 3.44Å; D413-D416 PolarHBondContact O-N 3.46Å
414P85.3Confident82Confident53 Ų5362.3 Ų62.334%0.34436%0.36SS..G310 helixtrans-54.4-28.1178.1-26.134.3000113.4D416 L417 L483P414-D416 PolarHBondContact O-N 3.26Å; P414-L417 PolarHBondContact O-N 3.17Å; P414-L417 VanDerWaalsContact O-N 3.13Å; P414-L483 HydrophobicContact CB-CD1 4.27Å; P414-L483 HydrophobicContact CB-CD2 4.31Å; P414-L483 HydrophobicContact CG-CD2 3.94Å
415T88.5Confident84.3Confident77 Ų7758.6 Ų58.647%0.47234%0.34SS..G310 helixtrans-67.2-21.6179.1700000113.3D413 L417 E418D413-T415 PolarHBondContact O-N 2.92Å; D413-T415 VanDerWaalsContact O-N 3.08Å; D413-T415 WeakPolarHBondContact OD1-CB 3.44Å; D413-T415 WeakPolarHBondContact OD1-CG2 3.5Å; D413-T415 PolarHBondContact OD1-N 2.8Å; D413-T415 PolarHBondContact OD1-OG1 2.84Å; D413-T415 PolarHBondContact OD2-OG1 2.96Å; T415-L417 PolarHBondContact O-N 3.19Å; T415-E418 PolarHBondContact O-N 3.23Å
416D90.6Very high86.4Confident43 Ų4357.5 Ų57.523%0.2333%0.328CS..G310 helixtrans-62.8-22.1173.7-67.7-37.3000112.6L179 K182 W183 D413 P414L179-D416 HydrophobicContact CD1-CB 3.55Å; K182-D416 WeakPolarHBondContact CD-OD1 3.44Å; K182-D416 VanDerWaalsContact CD-OD2 3.28Å; K182-D416 WeakPolarHBondContact CD-OD2 3.21Å; K182-D416 WeakPolarHBondContact CE-OD2 3.12Å; K182-D416 IonicContact NZ-OD1 2.71Å; K182-D416 PolarHBondContact NZ-OD1 2.86Å; K182-D416 IonicContact NZ-OD2 2.86Å; K182-D416 PolarHBondContact NZ-OD2 3.3Å; W183-D416 PolarHBondContact NE1-OD2 3.08Å; D413-D416 WeakPolarHBondContact O-CB 3.44Å; D413-D416 PolarHBondContact O-N 3.46Å; P414-D416 PolarHBondContact O-N 3.26Å
417L94.1Very high88.1Confident0 Ų055.4 Ų55.40%031%0.305CS..G310 helixtrans-11525.4-176.1-71.4165000112L179 W183 P414 T415 L425 F426 I475 I479 L483L179-L417 HydrophobicContact CD1-CD2 4.4Å; L179-L417 HydrophobicContact CD1-CG 4.26Å; L179-L417 HydrophobicContact CD2-CD2 4.07Å; W183-L417 HydrophobicContact CH2-CD1 3.73Å; W183-L417 HydrophobicContact CZ2-CD1 4.13Å; P414-L417 PolarHBondContact O-N 3.17Å; P414-L417 VanDerWaalsContact O-N 3.13Å; T415-L417 PolarHBondContact O-N 3.19Å; L417-L425 HydrophobicContact CB-CD1 3.84Å; L417-L425 WeakPolarHBondContact O-CA 3.16Å; L417-F426 VanDerWaalsContact C-CD2 3.42Å; L417-F426 HydrophobicContact CB-CD2 4.41Å; L417-F426 HydrophobicContact CD2-CD2 4.46Å; L417-F426 WeakPolarHBondContact O-CD2 3.38Å; L417-F426 PolarHBondContact O-N 2.88Å; L417-I475 HydrophobicContact CD2-CG2 3.96Å; L417-I479 HydrophobicContact CB-CG1 4.23Å; L417-I479 HydrophobicContact CD1-CG1 3.85Å; L417-I479 HydrophobicContact CD2-CD1 4.46Å; L417-I479 HydrophobicContact CD2-CG1 4.1Å; L417-I479 HydrophobicContact CG-CG1 4.29Å; L417-L483 HydrophobicContact CB-CD1 4.26Å; L417-L483 HydrophobicContact CD1-CD1 3.71Å
418E95.4Very high89.4Confident72 Ų7256.8 Ų56.834%0.33631%0.311SS..BIsolated β-bridgetrans-87.7143.2173-77.1179.9-16800113.9T415 S420 R424 F426T415-E418 PolarHBondContact O-N 3.23Å; E418-S420 PolarHBondContact O-N 3Å; E418-R424 WeakPolarHBondContact CA-O 3.35Å; E418-F426 WeakPolarHBondContact O-CE2 3.49Å; E418-F426 VanDerWaalsContact O-CZ 3.23Å; E418-F426 WeakPolarHBondContact O-CZ 3.35Å
419C96.9Very high90.4Very high0 Ų054.2 Ų54.20%029%0.293CS..  trans-81.2116.2170.7-179.70000111.2L421 C422 M423 R424 F426 C439C419-L421 PolarHBondContact O-N 3.49Å; C419-C422 PolarHBondContact O-N 3.1Å; C419-M423 PolarHBondContact O-N 2.87Å; C419-R424 PolarHBondContact N-O 3.36Å; C419-F426 HydrophobicContact CB-CD1 3.65Å; C419-F426 HydrophobicContact CB-CE1 3.63Å; C419-F426 HydrophobicContact CB-CZ 4.48Å; C419-C439 WeakPolarHBondContact CB-SG 3.49Å; C419-C439 PolarHBondContact SG-N 3.16Å
420S95.3Very high91.6Very high48 Ų4849.5 Ų49.534%0.33626%0.26SS..THydrogen-bonded Turntrans-52.7-6.7175.258.70000117.4E418 M423E418-S420 PolarHBondContact O-N 3Å; S420-M423 VanDerWaalsContact O-CE 3.3Å; S420-M423 WeakPolarHBondContact O-CE 3.39Å
421L95.5Very high92.5Very high60 Ų6043.1 Ų43.131%0.31423%0.226SC..THydrogen-bonded Turntrans-99.9-33.6176.7-63.9175.3000113.7C419 F438 C442 P454C419-L421 PolarHBondContact O-N 3.49Å; L421-F438 HydrophobicContact CD1-CB 4.18Å; L421-F438 HydrophobicContact CD1-CD1 3.45Å; L421-F438 VanDerWaalsContact CD1-CD1 3.45Å; L421-F438 HydrophobicContact CD1-CE1 4.07Å; L421-F438 HydrophobicContact CD1-CG 3.97Å; L421-F438 HydrophobicContact CD2-CE1 4.49Å; L421-F438 HydrophobicContact CG-CD1 3.68Å; L421-F438 HydrophobicContact CG-CE1 4.06Å; L421-C442 HydrophobicContact CB-CB 3.92Å; L421-C442 HydrophobicContact CD1-CB 3.74Å; L421-C442 HydrophobicContact CG-CB 4.49Å; L421-P454 HydrophobicContact CD1-CG 4.29Å; L421-P454 HydrophobicContact CD2-CB 3.77Å; L421-P454 HydrophobicContact CD2-CG 4.06Å
422C94.3Very high93.2Very high39 Ų3940.3 Ų40.326%0.26421%0.212SC..THydrogen-bonded Turntrans-116.3-7.2-178.763.90000114.1C419 R424C419-C422 PolarHBondContact O-N 3.1Å; C422-R424 PolarHBondContact O-N 2.85Å
423M94.6Very high93.5Very high130 Ų13040.9 Ų40.964%0.6422%0.218SC*.SBendtrans50.544.7-177.5-47-53.3-176.100111.9C419 S420C419-M423 PolarHBondContact O-N 2.87Å; S420-M423 VanDerWaalsContact O-CE 3.3Å; S420-M423 WeakPolarHBondContact O-CE 3.39Å
424R94.6Very high93.9Very high105 Ų10538.5 Ų38.540%0.39621%0.206SC..SBendtrans-135.8158.1174.6-62178.6-173.5175.6-0.3108E418 C419 C422 F426 E497E418-R424 WeakPolarHBondContact CA-O 3.35Å; C419-R424 PolarHBondContact N-O 3.36Å; C422-R424 PolarHBondContact O-N 2.85Å; R424-F426 PolarHBondContact O-N 3.02Å; R424-E497 IonicContact CZ-OE1 3.58Å; R424-E497 IonicContact NH1-OE1 2.69Å; R424-E497 PolarHBondContact NH1-OE1 3.19Å
425L96Very high94.3Very high17 Ų1736.1 Ų36.19%0.08919%0.191CC..BIsolated β-bridgetrans-44.7135.8170.1-173.471000111.3L417 Y427 I479 L483 E486 F487 R490L417-L425 HydrophobicContact CB-CD1 3.84Å; L417-L425 WeakPolarHBondContact O-CA 3.16Å; L425-Y427 PolarHBondContact O-N 2.89Å; L425-I479 HydrophobicContact CD1-CG1 4.28Å; L425-I479 HydrophobicContact CD1-CG2 4.23Å; L425-I479 HydrophobicContact CD2-CG2 3.85Å; L425-I479 HydrophobicContact CG-CG2 4.23Å; L425-L483 HydrophobicContact CD1-CD1 3.76Å; L425-E486 VanDerWaalsContact CD2-C 3.5Å; L425-E486 HydrophobicContact CD2-CB 3.84Å; L425-E486 WeakPolarHBondContact CD2-O 3.4Å; L425-F487 HydrophobicContact CD2-CB 4.37Å; L425-R490 HydrophobicContact CB-CG 4.41Å; L425-R490 HydrophobicContact CD2-CB 4.16Å; L425-R490 WeakPolarHBondContact O-CD 3.38Å; L425-R490 PolarHBondContact O-NE 2.86Å
426F96.8Very high94.7Very high3 Ų334 Ų341%0.01318%0.176CC..  trans-53.9134.5177.5-75.3-67.1000111.3V175 L417 E418 C419 R424 P429 T437 I475 I479V175-F426 HydrophobicContact CG1-CE2 4Å; V175-F426 HydrophobicContact CG2-CE2 4.42Å; V175-F426 HydrophobicContact CG2-CZ 4.15Å; L417-F426 VanDerWaalsContact C-CD2 3.42Å; L417-F426 HydrophobicContact CB-CD2 4.41Å; L417-F426 HydrophobicContact CD2-CD2 4.46Å; L417-F426 WeakPolarHBondContact O-CD2 3.38Å; L417-F426 PolarHBondContact O-N 2.88Å; E418-F426 WeakPolarHBondContact O-CE2 3.49Å; E418-F426 VanDerWaalsContact O-CZ 3.23Å; E418-F426 WeakPolarHBondContact O-CZ 3.35Å; C419-F426 HydrophobicContact CB-CD1 3.65Å; C419-F426 HydrophobicContact CB-CE1 3.63Å; C419-F426 HydrophobicContact CB-CZ 4.48Å; R424-F426 PolarHBondContact O-N 3.02Å; F426-P429 HydrophobicContact CB-CB 4.02Å; F426-P429 HydrophobicContact CD1-CB 4.28Å; F426-P429 HydrophobicContact CG-CB 4.17Å; F426-T437 HydrophobicContact CD1-CG2 4.38Å; F426-T437 HydrophobicContact CE1-CG2 3.94Å; F426-T437 HydrophobicContact CZ-CG2 4.13Å; F426-I475 HydrophobicContact CD2-CG2 4.17Å; F426-I479 HydrophobicContact CB-CD1 3.73Å
427Y95.1Very high95Very high27 Ų2732.1 Ų32.111%0.10617%0.166CC..SBendtrans-127.9126.6169.9-171.4-100.6000107.9L425 C439 F487 R490 Q491 H494L425-Y427 PolarHBondContact O-N 2.89Å; Y427-C439 PolarHBondContact N-SG 2.99Å; Y427-C439 WeakPolarHBondContact O-CA 3.34Å; Y427-C439 VanDerWaalsContact O-CB 3.29Å; Y427-C439 WeakPolarHBondContact O-CB 3.4Å; Y427-F487 HydrophobicContact CD2-CE2 4.5Å; Y427-R490 HydrophobicContact CD2-CG 4.03Å; Y427-R490 HydrophobicContact CG-CG 4.33Å; Y427-Q491 HydrophobicContact CE2-CB 4Å; Y427-Q491 HydrophobicContact CE2-CG 4.24Å; Y427-H494 HydrophobicContact CD1-CB 4.2Å; Y427-H494 AromaticContact CD1-CG 3.92Å; Y427-H494 AromaticContact CD1-ND1 3.96Å; Y427-H494 HydrophobicContact CE1-CB 3.83Å; Y427-H494 AromaticContact CE1-CD2 3.32Å; Y427-H494 WeakPolarHBondContact CE1-CD2 3.3Å; Y427-H494 AromaticContact CE1-CE1 3.74Å; Y427-H494 AromaticContact CE1-CG 3.3Å; Y427-H494 AromaticContact CE1-ND1 3.6Å; Y427-H494 AromaticContact CE1-NE2 3.59Å; Y427-H494 HydrophobicContact CE2-CB 4.43Å; Y427-H494 AromaticContact CZ-CD2 3.53Å; Y427-H494 AromaticContact CZ-CG 3.73Å; Y427-H494 PolarHBondContact OH-CD2 3.01Å; Y427-H494 VanDerWaalsContact OH-CD2 3.25Å
428E94.6Very high95.2Very high44 Ų4432.1 Ų32.121%0.20617%0.166CC..SBendtrans46.563.8-168.4-49.7-160.9126.100112V430 L440 K471E428-V430 PolarHBondContact O-N 2.9Å; E428-L440 HydrophobicContact CB-CB 4.02Å; E428-L440 PolarHBondContact O-N 3.43Å; E428-K471 HydrophobicContact CB-CD 4.33Å; E428-K471 HydrophobicContact CB-CG 4.39Å; E428-K471 VanDerWaalsContact CD-CE 3.46Å; E428-K471 HydrophobicContact CG-CD 4.43Å; E428-K471 WeakPolarHBondContact OE1-CE 3.24Å; E428-K471 IonicContact OE1-NZ 2.72Å; E428-K471 PolarHBondContact OE1-NZ 3.25Å
429P96.8Very high95.2Very high1 Ų128.9 Ų28.91%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-64.4120.4-173.123.5-32.6000111.5F426 T437 F438 K471 T472 I475 E476F426-P429 HydrophobicContact CB-CB 4.02Å; F426-P429 HydrophobicContact CD1-CB 4.28Å; F426-P429 HydrophobicContact CG-CB 4.17Å; P429-T437 HydrophobicContact CB-CG2 3.93Å; P429-F438 CarbonylContact C-O 3.33Å; P429-F438 WeakPolarHBondContact CA-O 3.47Å; P429-K471 CarbonylContact O-C 3.57Å; P429-T472 VanDerWaalsContact O-CB 3.27Å; P429-T472 WeakPolarHBondContact O-CB 3.44Å; P429-T472 PolarHBondContact O-N 2.95Å; P429-T472 PolarHBondContact O-OG1 3.21Å; P429-I475 HydrophobicContact CB-CB 4.11Å; P429-I475 HydrophobicContact CB-CG2 3.79Å; P429-I475 HydrophobicContact CG-CB 3.86Å; P429-I475 HydrophobicContact CG-CG2 3.74Å; P429-E476 HydrophobicContact CG-CB 4.22Å
430V95.9Very high95Very high0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-113.4130.9176.5-63.50000110.9E428 T437 F438 L440 L443E428-V430 PolarHBondContact O-N 2.9Å; V430-T437 VanDerWaalsContact O-CA 3.32Å; V430-T437 WeakPolarHBondContact O-CA 3.47Å; V430-F438 PolarHBondContact N-O 2.89Å; V430-F438 PolarHBondContact O-N 2.69Å; V430-L440 HydrophobicContact CG1-CB 4.08Å; V430-L440 HydrophobicContact CG1-CD1 4.13Å; V430-L440 HydrophobicContact CG2-CB 4.48Å; V430-L443 HydrophobicContact CG2-CB 4.3Å; V430-L443 HydrophobicContact CG2-CD2 3.76Å
431T95.1Very high94.7Very high16 Ų1630.1 Ų30.110%0.09815%0.152CC..EExtended strand (participates in β ladder)trans-99.4120.1176.2-57.90000110.3N173 H436 T437 T472N173-T431 HydrophobicContact CB-CG2 4.35Å; N173-T431 PolarHBondContact ND2-OG1 2.89Å; T431-H436 WeakPolarHBondContact CA-O 3.48Å; T431-T437 PolarHBondContact OG1-OG1 3.25Å; T431-T472 PolarHBondContact N-OG1 3.38Å; T431-T472 PolarHBondContact OG1-OG1 2.92Å
432T93.6Very high94.6Very high4 Ų428.5 Ų28.53%0.02515%0.145CC..  trans-67.7157.1175.955.80000112C434 G435 H436 F438 L443 L460 Y463T432-C434 PolarHBondContact O-N 3.05Å; T432-C434 PolarHBondContact OG1-SG 3.39Å; T432-G435 PolarHBondContact O-N 2.99Å; T432-H436 PolarHBondContact N-O 2.88Å; T432-H436 PolarHBondContact OG1-N 2.98Å; T432-H436 PolarHBondContact OG1-O 3.44Å; T432-F438 HydrophobicContact CG2-CD2 4.04Å; T432-F438 HydrophobicContact CG2-CE2 3.97Å; T432-L443 HydrophobicContact CG2-CD1 4.01Å; T432-L443 HydrophobicContact CG2-CD2 3.59Å; T432-L443 HydrophobicContact CG2-CG 4.49Å; T432-L460 HydrophobicContact CG2-CD1 3.86Å; T432-Y463 HydrophobicContact CG2-CE1 4.24Å
433P90.7Very high94.5Very high60 Ų6026.6 Ų26.639%0.3913%0.133SC..THydrogen-bonded Turntrans-53.7-27.6175.9-28.835.7000114.9R171 G435 Y463R171-P433 WeakPolarHBondContact CB-O 3.41Å; R171-P433 WeakPolarHBondContact CG-O 3.22Å; P433-G435 VanDerWaalsContact C-N 3.27Å; P433-G435 PolarHBondContact O-N 3.38Å; P433-Y463 HydrophobicContact CG-CD2 3.79Å; P433-Y463 HydrophobicContact CG-CE2 4.21Å; P433-Y463 HydrophobicContact CG-CG 4.03Å
434C92.6Very high94.2Very high10 Ų1021 Ų217%0.06811%0.105CC..THydrogen-bonded Turntrans-75.5-8.2176.273.70000114.5T432 H436 C453 C456 E458T432-C434 PolarHBondContact O-N 3.05Å; T432-C434 PolarHBondContact OG1-SG 3.39Å; C434-H436 PolarHBondContact SG-ND1 3.09Å; C434-C453 PolarHBondContact SG-SG 2.96Å; C434-C456 PolarHBondContact SG-SG 2.85Å; C434-E458 HydrophobicContact CB-CB 4.1Å; C434-E458 HydrophobicContact CB-CG 4.21Å; C434-E458 VanDerWaalsContact CB-OE2 3.25Å; C434-E458 WeakPolarHBondContact CB-OE2 3.26Å
435G94.1Very high93.8Very high2 Ų220.8 Ų20.82%0.02110%0.104CC..SBendtrans98.71.9177.700000115.9V172 N173 V174 T432 P433V172-G435 WeakPolarHBondContact O-CA 3.36Å; N173-G435 WeakPolarHBondContact CA-O 3.35Å; V174-G435 PolarHBondContact N-O 3.31Å; T432-G435 PolarHBondContact O-N 2.99Å; P433-G435 VanDerWaalsContact C-N 3.27Å; P433-G435 PolarHBondContact O-N 3.38Å
436H96.4Very high93.4Very high34 Ų3421.9 Ų21.916%0.15711%0.113CC..  trans-92.5139.3178.7-65.394.2000112T431 T432 C434 F438 L455T431-H436 WeakPolarHBondContact CA-O 3.48Å; T432-H436 PolarHBondContact N-O 2.88Å; T432-H436 PolarHBondContact OG1-N 2.98Å; T432-H436 PolarHBondContact OG1-O 3.44Å; C434-H436 PolarHBondContact SG-ND1 3.09Å; H436-F438 HydrophobicContact CB-CE2 3.71Å; H436-F438 HydrophobicContact CB-CZ 3.83Å; H436-L455 HydrophobicContact CB-CD1 4.18Å; H436-L455 VanDerWaalsContact CD2-CD1 3.46Å; H436-L455 WeakPolarHBondContact CD2-CD1 3.35Å
437T97.3Very high92.9Very high3 Ų321.8 Ų21.82%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-108.3139.3-177.7-50.70000111.8N173 F426 P429 V430 T431 I475N173-T437 PolarHBondContact ND2-OG1 3.32Å; N173-T437 PolarHBondContact OD1-OG1 2.91Å; F426-T437 HydrophobicContact CD1-CG2 4.38Å; F426-T437 HydrophobicContact CE1-CG2 3.94Å; F426-T437 HydrophobicContact CZ-CG2 4.13Å; P429-T437 HydrophobicContact CB-CG2 3.93Å; V430-T437 VanDerWaalsContact O-CA 3.32Å; V430-T437 WeakPolarHBondContact O-CA 3.47Å; T431-T437 PolarHBondContact OG1-OG1 3.25Å; T437-I475 HydrophobicContact CG2-CD1 3.63Å
438F97.4Very high92.3Very high0 Ų020.7 Ų20.70%011%0.109CC..EExtended strand (participates in β ladder)trans-141163.9178.9-55.1-76000110.1L421 P429 V430 T432 H436 L443 P454 L455L421-F438 HydrophobicContact CD1-CB 4.18Å; L421-F438 HydrophobicContact CD1-CD1 3.45Å; L421-F438 VanDerWaalsContact CD1-CD1 3.45Å; L421-F438 HydrophobicContact CD1-CE1 4.07Å; L421-F438 HydrophobicContact CD1-CG 3.97Å; L421-F438 HydrophobicContact CD2-CE1 4.49Å; L421-F438 HydrophobicContact CG-CD1 3.68Å; L421-F438 HydrophobicContact CG-CE1 4.06Å; P429-F438 CarbonylContact C-O 3.33Å; P429-F438 WeakPolarHBondContact CA-O 3.47Å; V430-F438 PolarHBondContact N-O 2.89Å; V430-F438 PolarHBondContact O-N 2.69Å; T432-F438 HydrophobicContact CG2-CD2 4.04Å; T432-F438 HydrophobicContact CG2-CE2 3.97Å; H436-F438 HydrophobicContact CB-CE2 3.71Å; H436-F438 HydrophobicContact CB-CZ 3.83Å; F438-L443 HydrophobicContact CB-CB 3.93Å; F438-L443 HydrophobicContact CD2-CB 4.38Å; F438-L443 HydrophobicContact CD2-CD1 3.84Å; F438-L443 HydrophobicContact CD2-CD2 4.39Å; F438-L443 HydrophobicContact CD2-CG 4.42Å; F438-L443 HydrophobicContact CE2-CD1 4.21Å; F438-L443 HydrophobicContact CG-CB 4.4Å; F438-L443 HydrophobicContact CG-CD1 4.49Å; F438-P454 HydrophobicContact CE1-CB 4.3Å; F438-P454 HydrophobicContact CE1-CG 4.33Å; F438-P454 HydrophobicContact CZ-CB 4.29Å; F438-P454 HydrophobicContact CZ-CG 4.19Å; F438-L455 HydrophobicContact CE1-CD1 3.81Å; F438-L455 HydrophobicContact CE1-CG 3.9Å; F438-L455 HydrophobicContact CZ-CB 4.5Å; F438-L455 HydrophobicContact CZ-CD1 3.81Å; F438-L455 HydrophobicContact CZ-CG 3.84Å
439C96.2Very high91.7Very high3 Ų324.5 Ų24.52%0.0213%0.126CC..EExtended strand (participates in β ladder)trans-63.9141.2159.9-57.30000109.2C419 Y427 Q441 C442 L443C419-C439 WeakPolarHBondContact CB-SG 3.49Å; C419-C439 PolarHBondContact SG-N 3.16Å; Y427-C439 PolarHBondContact N-SG 2.99Å; Y427-C439 WeakPolarHBondContact O-CA 3.34Å; Y427-C439 VanDerWaalsContact O-CB 3.29Å; Y427-C439 WeakPolarHBondContact O-CB 3.4Å; C439-Q441 PolarHBondContact O-N 2.85Å; C439-C442 HydrophobicContact CB-CB 4.04Å; C439-C442 PolarHBondContact O-N 3.45Å; C439-C442 VanDerWaalsContact O-N 3.1Å; C439-L443 PolarHBondContact O-N 3.27Å
440L92.6Very high91.2Very high30 Ų3028.2 Ų28.216%0.15715%0.146CC..Hα-helixtrans-46.2-61.1178.7173.258.1000112.7E428 V430 C442 L443 E444 Y469E428-L440 HydrophobicContact CB-CB 4.02Å; E428-L440 PolarHBondContact O-N 3.43Å; V430-L440 HydrophobicContact CG1-CB 4.08Å; V430-L440 HydrophobicContact CG1-CD1 4.13Å; V430-L440 HydrophobicContact CG2-CB 4.48Å; L440-C442 PolarHBondContact O-N 3Å; L440-L443 PolarHBondContact O-N 2.93Å; L440-L443 VanDerWaalsContact O-N 3.16Å; L440-E444 HydrophobicContact CD1-CG 4.24Å; L440-E444 PolarHBondContact O-N 3.2Å; L440-Y469 VanDerWaalsContact CD1-CB 3.45Å; L440-Y469 HydrophobicContact CD1-CD2 3.71Å; L440-Y469 HydrophobicContact CD1-CG 3.74Å
441Q89.3Confident90.8Very high44 Ų4430.2 Ų30.221%0.20616%0.159CC..Hα-helixtrans-60.5-31.2-177.8-68.2-177.4-46.600113.4C439 R445 H494 E540C439-Q441 PolarHBondContact O-N 2.85Å; Q441-R445 WeakPolarHBondContact O-CB 3.37Å; Q441-R445 PolarHBondContact O-N 2.68Å; Q441-R445 VanDerWaalsContact O-N 3.09Å; Q441-H494 PolarHBondContact OE1-CE1 3.33Å; Q441-H494 PolarHBondContact OE1-ND1 3.41Å; Q441-E540 PolarHBondContact NE2-OE2 3.25Å
442C92.7Very high90.7Very high26 Ų2633.5 Ų33.518%0.17617%0.172CC..Hα-helixtrans-72.7-42.9178.1-620000111.5L421 C439 L440 R445 C446L421-C442 HydrophobicContact CB-CB 3.92Å; L421-C442 HydrophobicContact CD1-CB 3.74Å; L421-C442 HydrophobicContact CG-CB 4.49Å; C439-C442 HydrophobicContact CB-CB 4.04Å; C439-C442 PolarHBondContact O-N 3.45Å; C439-C442 VanDerWaalsContact O-N 3.1Å; L440-C442 PolarHBondContact O-N 3Å; C442-R445 PolarHBondContact O-N 2.81Å; C442-C446 PolarHBondContact O-N 2.95Å; C442-C446 VanDerWaalsContact O-N 3.14Å
443L92.7Very high90.7Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-62.7-49.9175.5176.960.8000111V430 T432 F438 C439 L440 R445 C446 L447 Y463V430-L443 HydrophobicContact CG2-CB 4.3Å; V430-L443 HydrophobicContact CG2-CD2 3.76Å; T432-L443 HydrophobicContact CG2-CD1 4.01Å; T432-L443 HydrophobicContact CG2-CD2 3.59Å; T432-L443 HydrophobicContact CG2-CG 4.49Å; F438-L443 HydrophobicContact CB-CB 3.93Å; F438-L443 HydrophobicContact CD2-CB 4.38Å; F438-L443 HydrophobicContact CD2-CD1 3.84Å; F438-L443 HydrophobicContact CD2-CD2 4.39Å; F438-L443 HydrophobicContact CD2-CG 4.42Å; F438-L443 HydrophobicContact CE2-CD1 4.21Å; F438-L443 HydrophobicContact CG-CB 4.4Å; F438-L443 HydrophobicContact CG-CD1 4.49Å; C439-L443 PolarHBondContact O-N 3.27Å; L440-L443 PolarHBondContact O-N 2.93Å; L440-L443 VanDerWaalsContact O-N 3.16Å; L443-R445 VanDerWaalsContact C-N 3.29Å; L443-R445 PolarHBondContact O-N 2.84Å; L443-C446 WeakPolarHBondContact O-CB 3.35Å; L443-C446 PolarHBondContact O-N 3.34Å; L443-L447 HydrophobicContact CD1-CD1 4.01Å; L443-L447 HydrophobicContact CD1-CD2 4.44Å; L443-L447 HydrophobicContact CD1-CG 4Å; L443-L447 HydrophobicContact CD2-CD1 4.39Å; L443-L447 HydrophobicContact CG-CD1 3.85Å; L443-L447 HydrophobicContact CG-CG 4.24Å; L443-L447 WeakPolarHBondContact O-CG 3.21Å; L443-L447 PolarHBondContact O-N 2.96Å; L443-Y463 HydrophobicContact CD2-CE1 4Å
444E87.4Confident90.9Very high12 Ų1231.8 Ų31.86%0.05616%0.161CC..Hα-helixtrans-58.9-41.7179.1-73.1-166100.500111.9L440 C446 L447 D448 R467 Y469 R536L440-E444 HydrophobicContact CD1-CG 4.24Å; L440-E444 PolarHBondContact O-N 3.2Å; E444-C446 VanDerWaalsContact C-N 3.28Å; E444-C446 PolarHBondContact O-N 3.04Å; E444-L447 CarbonylContact O-C 3.54Å; E444-L447 PolarHBondContact O-N 3.45Å; E444-L447 VanDerWaalsContact O-N 3.17Å; E444-D448 PolarHBondContact O-N 3.13Å; E444-R467 IonicContact OE1-CZ 3.79Å; E444-R467 IonicContact OE1-NH1 3.63Å; E444-R467 PolarHBondContact OE1-NH1 2.88Å; E444-Y469 HydrophobicContact CG-CD2 4.14Å; E444-Y469 HydrophobicContact CG-CE2 3.59Å; E444-Y469 WeakPolarHBondContact OE1-CE2 3.4Å; E444-R536 VanDerWaalsContact CB-CZ 3.47Å; E444-R536 WeakPolarHBondContact OE1-CD 3.35Å; E444-R536 IonicContact OE2-CZ 2.67Å; E444-R536 IonicContact OE2-NH1 2.73Å; E444-R536 PolarHBondContact OE2-NH1 3.27Å
445R86.4Confident91Very high101 Ų10135.5 Ų35.538%0.38118%0.179SC..Hα-helixtrans-58.9-39.2174.9-177.9-179.2177.2149.18.6111.8Q441 C442 L443 H449 R536 D596Q441-R445 WeakPolarHBondContact O-CB 3.37Å; Q441-R445 PolarHBondContact O-N 2.68Å; Q441-R445 VanDerWaalsContact O-N 3.09Å; C442-R445 PolarHBondContact O-N 2.81Å; L443-R445 VanDerWaalsContact C-N 3.29Å; L443-R445 PolarHBondContact O-N 2.84Å; R445-H449 PolarHBondContact O-CD2 3.12Å; R445-R536 VanDerWaalsContact N-NH2 3.18Å; R445-D596 IonicContact CZ-OD1 3.77Å; R445-D596 IonicContact NH1-OD1 2.75Å; R445-D596 PolarHBondContact NH1-OD1 3.14Å; R445-D596 IonicContact NH1-OD2 3.76Å; R445-D596 IonicContact NH2-OD1 3.53Å; R445-D596 PolarHBondContact NH2-OD1 3.49Å
446C88.6Confident91.1Very high39 Ų3938 Ų3826%0.26420%0.196SC..Hα-helixtrans-68.3-43.8174.5-71.20000112.3C442 L443 E444 D448 H449 N450 P454C442-C446 PolarHBondContact O-N 2.95Å; C442-C446 VanDerWaalsContact O-N 3.14Å; L443-C446 WeakPolarHBondContact O-CB 3.35Å; L443-C446 PolarHBondContact O-N 3.34Å; E444-C446 VanDerWaalsContact C-N 3.28Å; E444-C446 PolarHBondContact O-N 3.04Å; C446-D448 PolarHBondContact O-N 2.82Å; C446-H449 PolarHBondContact O-N 3.31Å; C446-H449 VanDerWaalsContact O-N 3.11Å; C446-N450 PolarHBondContact O-N 3.11Å; C446-P454 HydrophobicContact CB-CG 3.79Å
447L86.4Confident91Very high1 Ų142.9 Ų42.91%0.00522%0.217CC..Hα-helixtrans-66.2-21.9178.7-64176.9000113L443 E444 H449 N450 L460 L464 Y469 R532L443-L447 HydrophobicContact CD1-CD1 4.01Å; L443-L447 HydrophobicContact CD1-CD2 4.44Å; L443-L447 HydrophobicContact CD1-CG 4Å; L443-L447 HydrophobicContact CD2-CD1 4.39Å; L443-L447 HydrophobicContact CG-CD1 3.85Å; L443-L447 HydrophobicContact CG-CG 4.24Å; L443-L447 WeakPolarHBondContact O-CG 3.21Å; L443-L447 PolarHBondContact O-N 2.96Å; E444-L447 CarbonylContact O-C 3.54Å; E444-L447 PolarHBondContact O-N 3.45Å; E444-L447 VanDerWaalsContact O-N 3.17Å; L447-H449 VanDerWaalsContact C-N 3.26Å; L447-H449 PolarHBondContact O-N 2.8Å; L447-N450 WeakPolarHBondContact CA-O 3.35Å; L447-L460 HydrophobicContact CD2-CB 3.98Å; L447-L460 HydrophobicContact CD2-CD1 4.07Å; L447-L464 HydrophobicContact CB-CD1 3.97Å; L447-L464 HydrophobicContact CB-CD2 4.33Å; L447-L464 HydrophobicContact CD1-CB 4.45Å; L447-L464 HydrophobicContact CD1-CD1 4.38Å; L447-Y469 HydrophobicContact CD1-CE1 4.41Å; L447-R532 PolarHBondContact O-NH2 3.22Å
448D80.9Confident90.9Very high5 Ų546.2 Ų46.23%0.02723%0.232CC..THydrogen-bonded Turntrans-65.5-26171.9-82.2-42000113.7E444 C446 P529 R532 R536E444-D448 PolarHBondContact O-N 3.13Å; C446-D448 PolarHBondContact O-N 2.82Å; D448-P529 WeakPolarHBondContact O-CB 3.37Å; D448-P529 WeakPolarHBondContact O-CG 3.42Å; D448-R532 IonicContact OD1-CZ 2.67Å; D448-R532 IonicContact OD1-NE 2.67Å; D448-R532 PolarHBondContact OD1-NE 2.95Å; D448-R532 VanDerWaalsContact OD1-NE 3.13Å; D448-R532 IonicContact OD1-NH2 2.76Å; D448-R532 PolarHBondContact OD1-NH2 3.44Å; D448-R532 VanDerWaalsContact OD1-NH2 3.14Å; D448-R536 IonicContact OD2-CZ 2.93Å; D448-R536 IonicContact OD2-NE 3.5Å; D448-R536 PolarHBondContact OD2-NE 2.96Å; D448-R536 IonicContact OD2-NH2 3.97Å; D448-R536 PolarHBondContact OD2-NH2 2.87Å
449H82.5Confident90.6Very high123 Ų12350.8 Ų50.857%0.56925%0.254SS*.THydrogen-bonded Turntrans-103.8-35.4176.6-65.6-88.2000113.8R445 C446 L447 P529R445-H449 PolarHBondContact O-CD2 3.12Å; C446-H449 PolarHBondContact O-N 3.31Å; C446-H449 VanDerWaalsContact O-N 3.11Å; L447-H449 VanDerWaalsContact C-N 3.26Å; L447-H449 PolarHBondContact O-N 2.8Å; H449-P529 VanDerWaalsContact CE1-CB 3.44Å; H449-P529 WeakPolarHBondContact CE1-CB 3.18Å; H449-P529 VanDerWaalsContact ND1-CB 3.29Å; H449-P529 WeakPolarHBondContact ND1-CB 3.22Å
450N86.3Confident90.2Very high80 Ų8051 Ų5143%0.42825%0.254SS..  trans-150.1115.2-174.9-175.5-6.5000109.5C446 L447 K452C446-N450 PolarHBondContact O-N 3.11Å; L447-N450 WeakPolarHBondContact CA-O 3.35Å; N450-K452 PolarHBondContact O-N 3.14Å; N450-K452 WeakPolarHBondContact OD1-CG 3.47Å
451P87.6Confident89.8Confident41 Ų4151.3 Ų51.327%0.26626%0.259SS..SBendtrans-75.433.8-174.333.9-38.1000113.4L460 S461 L464P451-L460 CarbonylContact O-C 3.47Å; P451-L460 VanDerWaalsContact O-CA 3.29Å; P451-L460 WeakPolarHBondContact O-CA 3.45Å; P451-L460 WeakPolarHBondContact O-CB 3.45Å; P451-L460 PolarHBondContact O-N 3.48Å; P451-S461 WeakPolarHBondContact CB-OG 3.07Å; P451-S461 PolarHBondContact O-N 3.04Å; P451-L464 HydrophobicContact CB-CD2 4.23Å
452K92.7Very high89.4Confident86 Ų8656.5 Ų56.537%0.37428%0.283SS..BIsolated β-bridgetrans-120.3149.4-178.4-68178.7176.71780110.9N450 P454 E458 E459N450-K452 PolarHBondContact O-N 3.14Å; N450-K452 WeakPolarHBondContact OD1-CG 3.47Å; K452-P454 WeakPolarHBondContact O-CD 3.27Å; K452-E458 CarbonylContact C-O 3.45Å; K452-E458 WeakPolarHBondContact CA-O 3.27Å; K452-E459 WeakPolarHBondContact CE-OE2 3.3Å; K452-E459 WeakPolarHBondContact CG-OE2 3.44Å; K452-E459 IonicContact NZ-OE2 3.91Å
453C94.1Very high88.8Confident0 Ų056.4 Ų56.40%028%0.279CS..  trans-55.9125.4175.2179.40000110.7C434 L455 C456 K457 E458 L460C434-C453 PolarHBondContact SG-SG 2.96Å; C453-L455 PolarHBondContact O-N 3.13Å; C453-L455 VanDerWaalsContact O-N 3.13Å; C453-C456 VanDerWaalsContact CB-SG 3.57Å; C453-K457 VanDerWaalsContact O-CA 3.25Å; C453-K457 WeakPolarHBondContact O-CA 3.48Å; C453-K457 PolarHBondContact O-N 3.42Å; C453-E458 PolarHBondContact N-O 3.35Å; C453-L460 HydrophobicContact CB-CD1 3.88Å; C453-L460 HydrophobicContact CB-CG 4.39Å
454P95.2Very high88.2Confident28 Ų2856.8 Ų56.818%0.18228%0.281CS..THydrogen-bonded Turntrans-56.6-31.1-180-29.536.7000114.2L421 F438 C446 K452 K457L421-P454 HydrophobicContact CD1-CG 4.29Å; L421-P454 HydrophobicContact CD2-CB 3.77Å; L421-P454 HydrophobicContact CD2-CG 4.06Å; F438-P454 HydrophobicContact CE1-CB 4.3Å; F438-P454 HydrophobicContact CE1-CG 4.33Å; F438-P454 HydrophobicContact CZ-CB 4.29Å; F438-P454 HydrophobicContact CZ-CG 4.19Å; C446-P454 HydrophobicContact CB-CG 3.79Å; K452-P454 WeakPolarHBondContact O-CD 3.27Å; P454-K457 PolarHBondContact O-NZ 2.92Å
455L95.3Very high87.6Confident88 Ų8859.9 Ų59.946%0.46130%0.301SS..THydrogen-bonded Turntrans-89.1-64.6-177.5-62.4175.6000112.3H436 F438 C453H436-L455 HydrophobicContact CB-CD1 4.18Å; H436-L455 VanDerWaalsContact CD2-CD1 3.46Å; H436-L455 WeakPolarHBondContact CD2-CD1 3.35Å; F438-L455 HydrophobicContact CE1-CD1 3.81Å; F438-L455 HydrophobicContact CE1-CG 3.9Å; F438-L455 HydrophobicContact CZ-CB 4.5Å; F438-L455 HydrophobicContact CZ-CD1 3.81Å; F438-L455 HydrophobicContact CZ-CG 3.84Å; C453-L455 PolarHBondContact O-N 3.13Å; C453-L455 VanDerWaalsContact O-N 3.13Å
456C95.5Very high87.1Confident55 Ų5559.9 Ų59.937%0.37231%0.305SS..THydrogen-bonded Turntrans-91.4-4.6-174.565.80000116C434 C453 E458C434-C456 PolarHBondContact SG-SG 2.85Å; C453-C456 VanDerWaalsContact CB-SG 3.57Å; C456-E458 PolarHBondContact O-N 3.04Å; C456-E458 VanDerWaalsContact O-N 3.14Å; C456-E458 VanDerWaalsContact SG-CB 3.57Å
457K95Very high86.5Confident135 Ų13561.2 Ų61.259%0.58731%0.305SS*.  trans61.212.1-177.5-42.4-53.6-176.3-1700115.9C453 P454C453-K457 VanDerWaalsContact O-CA 3.25Å; C453-K457 WeakPolarHBondContact O-CA 3.48Å; C453-K457 PolarHBondContact O-N 3.42Å; P454-K457 PolarHBondContact O-NZ 2.92Å
458E93.3Very high85.9Confident73 Ų7364.4 Ų64.434%0.34132%0.321SS..  trans-60.9143.8170.3-166.9163166.200110.3R171 C434 K452 C453 C456R171-E458 IonicContact CZ-OE1 2.83Å; R171-E458 IonicContact NE-OE1 3.97Å; R171-E458 IonicContact NH2-OE1 3.68Å; R171-E458 PolarHBondContact NH2-OE1 2.86Å; R171-E458 IonicContact NH2-OE2 3.24Å; R171-E458 PolarHBondContact NH2-OE2 3.23Å; C434-E458 HydrophobicContact CB-CB 4.1Å; C434-E458 HydrophobicContact CB-CG 4.21Å; C434-E458 VanDerWaalsContact CB-OE2 3.25Å; C434-E458 WeakPolarHBondContact CB-OE2 3.26Å; K452-E458 CarbonylContact C-O 3.45Å; K452-E458 WeakPolarHBondContact CA-O 3.27Å; C453-E458 PolarHBondContact N-O 3.35Å; C456-E458 PolarHBondContact O-N 3.04Å; C456-E458 VanDerWaalsContact O-N 3.14Å; C456-E458 VanDerWaalsContact SG-CB 3.57Å
459E91.2Very high86.1Confident97 Ų9765.6 Ų65.645%0.45333%0.326SS..BIsolated β-bridgetrans-72.8132.3-175.1-170.459.1-128.300111.1K452 S461K452-E459 WeakPolarHBondContact CE-OE2 3.3Å; K452-E459 WeakPolarHBondContact CG-OE2 3.44Å; K452-E459 IonicContact NZ-OE2 3.91Å; E459-S461 WeakPolarHBondContact OE1-CB 3.38Å; E459-S461 PolarHBondContact OE1-N 3.4Å; E459-S461 PolarHBondContact OE1-OG 3.18Å
460L89.2Confident86.4Confident7 Ų761.2 Ų61.24%0.03731%0.309CS..  trans-125.212.2-176-63.5-179.8000112.7T432 L447 P451 C453 E462 Y463 L464T432-L460 HydrophobicContact CG2-CD1 3.86Å; L447-L460 HydrophobicContact CD2-CB 3.98Å; L447-L460 HydrophobicContact CD2-CD1 4.07Å; P451-L460 CarbonylContact O-C 3.47Å; P451-L460 VanDerWaalsContact O-CA 3.29Å; P451-L460 WeakPolarHBondContact O-CA 3.45Å; P451-L460 WeakPolarHBondContact O-CB 3.45Å; P451-L460 PolarHBondContact O-N 3.48Å; C453-L460 HydrophobicContact CB-CD1 3.88Å; C453-L460 HydrophobicContact CB-CG 4.39Å; L460-E462 VanDerWaalsContact C-N 3.34Å; L460-E462 PolarHBondContact O-N 2.88Å; L460-Y463 WeakPolarHBondContact O-CA 3.48Å; L460-Y463 WeakPolarHBondContact O-CB 3.45Å; L460-Y463 PolarHBondContact O-N 2.85Å; L460-L464 PolarHBondContact O-N 2.71Å
461S83.4Confident86.8Confident36 Ų3660.9 Ų60.925%0.25230%0.303SS..Hα-helixtrans-49.7-46.3179.1-74.40000113.8P451 E459 Y463 L464 V465P451-S461 WeakPolarHBondContact CB-OG 3.07Å; P451-S461 PolarHBondContact O-N 3.04Å; E459-S461 WeakPolarHBondContact OE1-CB 3.38Å; E459-S461 PolarHBondContact OE1-N 3.4Å; E459-S461 PolarHBondContact OE1-OG 3.18Å; S461-Y463 VanDerWaalsContact C-N 3.35Å; S461-Y463 PolarHBondContact O-N 3.49Å; S461-L464 WeakPolarHBondContact O-CB 3.25Å; S461-L464 PolarHBondContact O-N 3.04Å; S461-V465 WeakPolarHBondContact O-CG2 3.43Å; S461-V465 PolarHBondContact O-N 3.16Å
462E80.8Confident87.2Confident154 Ų15458.9 Ų58.972%0.7229%0.291SS*.Hα-helixtrans-64.2-38.3177.3-66.3-179.9175.500112.8L460 L464 V465 Q466L460-E462 VanDerWaalsContact C-N 3.34Å; L460-E462 PolarHBondContact O-N 2.88Å; E462-L464 VanDerWaalsContact C-N 3.34Å; E462-V465 PolarHBondContact O-N 3.41Å; E462-Q466 WeakPolarHBondContact O-CG 3.2Å; E462-Q466 PolarHBondContact O-N 2.9Å; E462-Q466 VanDerWaalsContact O-N 3.11Å
463Y80.6Confident87.2Confident23 Ų2357 Ų579%0.0929%0.286CS..Hα-helixtrans-67.3-37177.9-170.9-118.4000111.4T432 P433 L443 L460 S461 R467 Y469T432-Y463 HydrophobicContact CG2-CE1 4.24Å; P433-Y463 HydrophobicContact CG-CD2 3.79Å; P433-Y463 HydrophobicContact CG-CE2 4.21Å; P433-Y463 HydrophobicContact CG-CG 4.03Å; L443-Y463 HydrophobicContact CD2-CE1 4Å; L460-Y463 WeakPolarHBondContact O-CA 3.48Å; L460-Y463 WeakPolarHBondContact O-CB 3.45Å; L460-Y463 PolarHBondContact O-N 2.85Å; S461-Y463 VanDerWaalsContact C-N 3.35Å; S461-Y463 PolarHBondContact O-N 3.49Å; Y463-R467 PolarHBondContact O-N 3Å; Y463-Y469 HydrophobicContact CD1-CD1 4.26Å; Y463-Y469 AromaticContact CD1-CE1 3.83Å; Y463-Y469 HydrophobicContact CD1-CE1 3.83Å; Y463-Y469 AromaticContact CE1-CD1 3.59Å; Y463-Y469 HydrophobicContact CE1-CD1 3.59Å; Y463-Y469 AromaticContact CE1-CE1 3.6Å; Y463-Y469 HydrophobicContact CE1-CE1 3.6Å; Y463-Y469 HydrophobicContact CE2-CD1 4.4Å; Y463-Y469 AromaticContact CZ-CD1 3.67Å
464L80.8Confident87.1Confident9 Ų957.5 Ų57.55%0.04729%0.289CS..Hα-helixtrans-64.9-42.9172.3176.160.4000112.3L447 P451 L460 S461 E462 Q466 R467 Y469L447-L464 HydrophobicContact CB-CD1 3.97Å; L447-L464 HydrophobicContact CB-CD2 4.33Å; L447-L464 HydrophobicContact CD1-CB 4.45Å; L447-L464 HydrophobicContact CD1-CD1 4.38Å; P451-L464 HydrophobicContact CB-CD2 4.23Å; L460-L464 PolarHBondContact O-N 2.71Å; S461-L464 WeakPolarHBondContact O-CB 3.25Å; S461-L464 PolarHBondContact O-N 3.04Å; E462-L464 VanDerWaalsContact C-N 3.34Å; L464-Q466 VanDerWaalsContact C-N 3.35Å; L464-Q466 PolarHBondContact O-N 2.79Å; L464-R467 WeakPolarHBondContact O-CG 3.48Å; L464-R467 PolarHBondContact O-N 3.35Å; L464-Y469 WeakPolarHBondContact CD1-OH 3.5Å
465V74.6Confident87.1Confident76 Ų7656.2 Ų56.246%0.46128%0.28SS..Hα-helixtrans-59.7-46.4177.1177.50000111S461 E462 R467S461-V465 WeakPolarHBondContact O-CG2 3.43Å; S461-V465 PolarHBondContact O-N 3.16Å; E462-V465 PolarHBondContact O-N 3.41Å; V465-R467 VanDerWaalsContact C-N 3.32Å; V465-R467 PolarHBondContact O-N 3.2Å
466Q76Confident86.9Confident101 Ų10153.7 Ų53.747%0.47227%0.266SS..Hα-helixtrans-68.4-30.8-174.4-71.1176.411.600112.7E462 L464 L468E462-Q466 WeakPolarHBondContact O-CG 3.2Å; E462-Q466 PolarHBondContact O-N 2.9Å; E462-Q466 VanDerWaalsContact O-N 3.11Å; L464-Q466 VanDerWaalsContact C-N 3.35Å; L464-Q466 PolarHBondContact O-N 2.79Å; Q466-L468 HydrophobicContact CB-CB 4.4Å; Q466-L468 HydrophobicContact CB-CD1 4.34Å; Q466-L468 HydrophobicContact CB-CG 4.15Å; Q466-L468 PolarHBondContact O-N 3.24Å
467R75.2Confident86.7Confident68 Ų6854.4 Ų54.426%0.25727%0.266SS..  trans50.620.1-172.8-66.7-175.6162.5-82.3-5.9114.3E444 Y463 L464 V465 Y469E444-R467 IonicContact OE1-CZ 3.79Å; E444-R467 IonicContact OE1-NH1 3.63Å; E444-R467 PolarHBondContact OE1-NH1 2.88Å; Y463-R467 PolarHBondContact O-N 3Å; L464-R467 WeakPolarHBondContact O-CG 3.48Å; L464-R467 PolarHBondContact O-N 3.35Å; V465-R467 VanDerWaalsContact C-N 3.32Å; V465-R467 PolarHBondContact O-N 3.2Å; R467-Y469 HydrophobicContact CB-CE2 4.12Å; R467-Y469 HydrophobicContact CG-CE2 4.21Å; R467-Y469 PolarHBondContact O-N 2.98Å
468L73.8Confident86.6Confident67 Ų6748.1 Ų48.135%0.35124%0.239SC..  trans-81.753.6-179.1-67.6178.6000111.6R163 Q466 C470R163-L468 HydrophobicContact CG-CD1 4.28Å; Q466-L468 HydrophobicContact CB-CB 4.4Å; Q466-L468 HydrophobicContact CB-CD1 4.34Å; Q466-L468 HydrophobicContact CB-CG 4.15Å; Q466-L468 PolarHBondContact O-N 3.24Å; L468-C470 PolarHBondContact O-N 3.32Å
469Y85.8Confident86.5Confident30 Ų3044.7 Ų44.712%0.11822%0.223CC..  trans-77.291.4-178.7-49.3-59.6000110.8L440 E444 L447 Y463 L464 R467L440-Y469 VanDerWaalsContact CD1-CB 3.45Å; L440-Y469 HydrophobicContact CD1-CD2 3.71Å; L440-Y469 HydrophobicContact CD1-CG 3.74Å; E444-Y469 HydrophobicContact CG-CD2 4.14Å; E444-Y469 HydrophobicContact CG-CE2 3.59Å; E444-Y469 WeakPolarHBondContact OE1-CE2 3.4Å; L447-Y469 HydrophobicContact CD1-CE1 4.41Å; Y463-Y469 HydrophobicContact CD1-CD1 4.26Å; Y463-Y469 AromaticContact CD1-CE1 3.83Å; Y463-Y469 HydrophobicContact CD1-CE1 3.83Å; Y463-Y469 AromaticContact CE1-CD1 3.59Å; Y463-Y469 HydrophobicContact CE1-CD1 3.59Å; Y463-Y469 AromaticContact CE1-CE1 3.6Å; Y463-Y469 HydrophobicContact CE1-CE1 3.6Å; Y463-Y469 HydrophobicContact CE2-CD1 4.4Å; Y463-Y469 AromaticContact CZ-CD1 3.67Å; L464-Y469 WeakPolarHBondContact CD1-OH 3.5Å; R467-Y469 HydrophobicContact CB-CE2 4.12Å; R467-Y469 HydrophobicContact CG-CE2 4.21Å; R467-Y469 PolarHBondContact O-N 2.98Å
470C89.3Confident86.6Confident32 Ų3242.6 Ų42.622%0.21622%0.219CC..  trans-85.8135.7172.7-72.10000111.8P132 R163 L468P132-C470 WeakPolarHBondContact O-CB 3.36Å; P132-C470 PolarHBondContact O-SG 3.19Å; R163-C470 PolarHBondContact NH1-SG 2.93Å; L468-C470 PolarHBondContact O-N 3.32Å
471K94.3Very high86.6Confident72 Ų7246.6 Ų46.631%0.31324%0.236SC..BIsolated β-bridgetrans-57139.1170.8-56.9-168.9-178.1-163.80110.6G134 E428 P429 V473 E476G134-K471 WeakPolarHBondContact CA-O 3.44Å; E428-K471 HydrophobicContact CB-CD 4.33Å; E428-K471 HydrophobicContact CB-CG 4.39Å; E428-K471 VanDerWaalsContact CD-CE 3.46Å; E428-K471 HydrophobicContact CG-CD 4.43Å; E428-K471 WeakPolarHBondContact OE1-CE 3.24Å; E428-K471 IonicContact OE1-NZ 2.72Å; E428-K471 PolarHBondContact OE1-NZ 3.25Å; P429-K471 CarbonylContact O-C 3.57Å; K471-V473 VanDerWaalsContact C-N 3.3Å; K471-V473 PolarHBondContact O-N 3.46Å; K471-E476 VanDerWaalsContact CD-OE1 3.31Å; K471-E476 WeakPolarHBondContact CD-OE1 3.49Å; K471-E476 WeakPolarHBondContact CD-OE2 3.4Å; K471-E476 IonicContact NZ-OE1 3.3Å; K471-E476 PolarHBondContact NZ-OE1 2.84Å; K471-E476 IonicContact NZ-OE2 2.72Å
472T95.3Very high86.8Confident0 Ų046.9 Ų46.90%023%0.232CC..  trans-79.584.3174.9-48.60000107.3T130 L176 P429 T431 L474 I475 E476T130-T472 HydrophobicContact CG2-CG2 3.77Å; L176-T472 HydrophobicContact CD1-CG2 4.38Å; P429-T472 VanDerWaalsContact O-CB 3.27Å; P429-T472 WeakPolarHBondContact O-CB 3.44Å; P429-T472 PolarHBondContact O-N 2.95Å; P429-T472 PolarHBondContact O-OG1 3.21Å; T431-T472 PolarHBondContact N-OG1 3.38Å; T431-T472 PolarHBondContact OG1-OG1 2.92Å; T472-L474 PolarHBondContact O-N 2.84Å; T472-I475 HydrophobicContact CG2-CB 4.27Å; T472-I475 HydrophobicContact CG2-CD1 3.65Å; T472-I475 HydrophobicContact CG2-CG1 3.75Å; T472-I475 PolarHBondContact O-N 3.15Å; T472-E476 PolarHBondContact O-N 3.39Å
473V92.4Very high87.4Confident47 Ų4740 Ų4029%0.28520%0.2SC..Hα-helixtrans-46.2-41.5-170.5-179.30000111.7G134 K471 I475 E476 N477G134-V473 PolarHBondContact O-N 3.26Å; K471-V473 VanDerWaalsContact C-N 3.3Å; K471-V473 PolarHBondContact O-N 3.46Å; V473-I475 PolarHBondContact O-N 3.3Å; V473-E476 PolarHBondContact O-N 3.13Å; V473-N477 WeakPolarHBondContact O-CB 3.44Å; V473-N477 PolarHBondContact O-N 3.21Å; V473-N477 PolarHBondContact O-OD1 2.64Å
474L93.4Very high88Confident10 Ų1042 Ų425%0.05222%0.216CC..Hα-helixtrans-63.7-38.7179.6-172.955.2000114D115 L116 L125 C136 L176 T472 L478D115-L474 WeakPolarHBondContact O-CD1 3.39Å; L116-L474 HydrophobicContact CD2-CD1 3.93Å; L116-L474 HydrophobicContact CD2-CD2 4.43Å; L116-L474 HydrophobicContact CD2-CG 4.48Å; L125-L474 HydrophobicContact CD1-CD2 3.33Å; C136-L474 HydrophobicContact CB-CB 4.33Å; C136-L474 HydrophobicContact CB-CD2 3.9Å; L176-L474 HydrophobicContact CD1-CB 4.43Å; L176-L474 HydrophobicContact CD1-CD2 3.97Å; L176-L474 HydrophobicContact CD1-CG 4.44Å; L176-L474 HydrophobicContact CD2-CD2 4.04Å; L176-L474 HydrophobicContact CD2-CG 4.06Å; T472-L474 PolarHBondContact O-N 2.84Å; L474-L478 HydrophobicContact CD1-CD1 4.39Å; L474-L478 HydrophobicContact CD1-CG 4.39Å; L474-L478 HydrophobicContact CG-CD1 4.17Å; L474-L478 WeakPolarHBondContact O-CB 3.32Å; L474-L478 WeakPolarHBondContact O-CG 3.42Å; L474-L478 PolarHBondContact O-N 2.86Å
475I94.1Very high88.6Confident0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-71.7-41.4179.4-63.9175.8000110V175 L176 L417 F426 P429 T437 T472 V473 L478 I479V175-I475 HydrophobicContact CG1-CD1 4.46Å; L176-I475 HydrophobicContact CD1-CD1 4.41Å; L176-I475 HydrophobicContact CD1-CG1 4.14Å; L176-I475 HydrophobicContact CD2-CD1 4.36Å; L176-I475 HydrophobicContact CD2-CG1 3.59Å; L176-I475 HydrophobicContact CG-CD1 3.98Å; L176-I475 HydrophobicContact CG-CG1 3.72Å; L417-I475 HydrophobicContact CD2-CG2 3.96Å; F426-I475 HydrophobicContact CD2-CG2 4.17Å; P429-I475 HydrophobicContact CB-CB 4.11Å; P429-I475 HydrophobicContact CB-CG2 3.79Å; P429-I475 HydrophobicContact CG-CB 3.86Å; P429-I475 HydrophobicContact CG-CG2 3.74Å; T437-I475 HydrophobicContact CG2-CD1 3.63Å; T472-I475 HydrophobicContact CG2-CB 4.27Å; T472-I475 HydrophobicContact CG2-CD1 3.65Å; T472-I475 HydrophobicContact CG2-CG1 3.75Å; T472-I475 PolarHBondContact O-N 3.15Å; V473-I475 PolarHBondContact O-N 3.3Å; I475-L478 PolarHBondContact O-N 3.43Å; I475-I479 HydrophobicContact CG2-CD1 3.82Å; I475-I479 WeakPolarHBondContact O-CD1 3.47Å; I475-I479 VanDerWaalsContact O-CG1 3.27Å; I475-I479 WeakPolarHBondContact O-CG1 3.47Å; I475-I479 PolarHBondContact O-N 3.18Å
476E91.9Very high89.5Confident35 Ų3544.4 Ų44.416%0.16423%0.23CC..Hα-helixtrans-63.1-42.6176.6-165167.6-131.500111.3P429 K471 T472 V473 L478 I479 S480 F487P429-E476 HydrophobicContact CG-CB 4.22Å; K471-E476 VanDerWaalsContact CD-OE1 3.31Å; K471-E476 WeakPolarHBondContact CD-OE1 3.49Å; K471-E476 WeakPolarHBondContact CD-OE2 3.4Å; K471-E476 IonicContact NZ-OE1 3.3Å; K471-E476 PolarHBondContact NZ-OE1 2.84Å; K471-E476 IonicContact NZ-OE2 2.72Å; T472-E476 PolarHBondContact O-N 3.39Å; V473-E476 PolarHBondContact O-N 3.13Å; E476-L478 PolarHBondContact O-N 2.94Å; E476-I479 PolarHBondContact O-N 3.12Å; E476-S480 WeakPolarHBondContact O-CB 3.46Å; E476-S480 PolarHBondContact O-N 3.2Å; E476-S480 PolarHBondContact O-OG 3.5Å; E476-F487 HydrophobicContact CG-CZ 4.45Å
477N91.5Very high90.4Very high70 Ų7041 Ų4137%0.37421%0.214SC..Hα-helixtrans-61.5-42.4173.5-71.5-2.2000112.5V473 S480 K481V473-N477 WeakPolarHBondContact O-CB 3.44Å; V473-N477 PolarHBondContact O-N 3.21Å; V473-N477 PolarHBondContact O-OD1 2.64Å; N477-S480 PolarHBondContact O-N 2.67Å; N477-K481 WeakPolarHBondContact O-CB 3.39Å; N477-K481 PolarHBondContact O-N 3.5Å
478L91.2Very high91.3Very high3 Ų343.2 Ų43.22%0.01623%0.229CC..Hα-helixtrans-66-41.9178.4-73.5171000112L116 L176 L179 W183 L474 I475 E476 K481 Y482L116-L478 HydrophobicContact CD2-CD1 3.99Å; L116-L478 HydrophobicContact CD2-CD2 3.78Å; L116-L478 HydrophobicContact CD2-CG 4.3Å; L116-L478 HydrophobicContact CG-CD2 4.44Å; L176-L478 HydrophobicContact CD2-CD1 3.88Å; L179-L478 HydrophobicContact CD2-CD1 3.68Å; W183-L478 HydrophobicContact CZ3-CD2 4.36Å; L474-L478 HydrophobicContact CD1-CD1 4.39Å; L474-L478 HydrophobicContact CD1-CG 4.39Å; L474-L478 HydrophobicContact CG-CD1 4.17Å; L474-L478 WeakPolarHBondContact O-CB 3.32Å; L474-L478 WeakPolarHBondContact O-CG 3.42Å; L474-L478 PolarHBondContact O-N 2.86Å; I475-L478 PolarHBondContact O-N 3.43Å; E476-L478 PolarHBondContact O-N 2.94Å; L478-K481 PolarHBondContact O-N 3.25Å; L478-Y482 HydrophobicContact CD2-CD2 3.87Å; L478-Y482 HydrophobicContact CD2-CE2 3.57Å; L478-Y482 WeakPolarHBondContact O-CB 3.26Å; L478-Y482 WeakPolarHBondContact O-CD2 3.47Å; L478-Y482 PolarHBondContact O-N 3.02Å
479I92.8Very high92.3Very high1 Ų146.2 Ų46.21%0.00524%0.241CC..Hα-helixtrans-60.9-49.3174.3-68.8162.3000110.2L417 L425 F426 I475 E476 K481 L483 F487L417-I479 HydrophobicContact CB-CG1 4.23Å; L417-I479 HydrophobicContact CD1-CG1 3.85Å; L417-I479 HydrophobicContact CD2-CD1 4.46Å; L417-I479 HydrophobicContact CD2-CG1 4.1Å; L417-I479 HydrophobicContact CG-CG1 4.29Å; L425-I479 HydrophobicContact CD1-CG1 4.28Å; L425-I479 HydrophobicContact CD1-CG2 4.23Å; L425-I479 HydrophobicContact CD2-CG2 3.85Å; L425-I479 HydrophobicContact CG-CG2 4.23Å; F426-I479 HydrophobicContact CB-CD1 3.73Å; I475-I479 HydrophobicContact CG2-CD1 3.82Å; I475-I479 WeakPolarHBondContact O-CD1 3.47Å; I475-I479 VanDerWaalsContact O-CG1 3.27Å; I475-I479 WeakPolarHBondContact O-CG1 3.47Å; I475-I479 PolarHBondContact O-N 3.18Å; E476-I479 PolarHBondContact O-N 3.12Å; I479-K481 VanDerWaalsContact C-N 3.25Å; I479-K481 PolarHBondContact O-N 2.87Å; I479-L483 CarbonylContact O-C 3.59Å; I479-L483 VanDerWaalsContact O-C 3.25Å; I479-L483 WeakPolarHBondContact O-CA 3.18Å; I479-L483 PolarHBondContact O-N 3.28Å; I479-F487 HydrophobicContact CG2-CB 3.73Å; I479-F487 HydrophobicContact CG2-CD2 3.4Å; I479-F487 HydrophobicContact CG2-CE2 4.22Å; I479-F487 HydrophobicContact CG2-CG 3.75Å
480S91.4Very high92.7Very high53 Ų5345.3 Ų45.337%0.37124%0.238SC..Hα-helixtrans-63.5-29.9-179.6-55.90000113.3E476 N477E476-S480 WeakPolarHBondContact O-CB 3.46Å; E476-S480 PolarHBondContact O-N 3.2Å; E476-S480 PolarHBondContact O-OG 3.5Å; N477-S480 PolarHBondContact O-N 2.67Å
481K89.4Confident92.9Very high91 Ų9147.1 Ų47.140%0.39624%0.243SC..Hα-helixtrans-85.8-37.3-177.9-174.1175.2-176.8-179.30113.6G112 D115 N477 L478 I479G112-K481 PolarHBondContact O-NZ 2.9Å; G112-K481 VanDerWaalsContact O-NZ 3.12Å; D115-K481 IonicContact OD2-NZ 3.19Å; D115-K481 PolarHBondContact OD2-NZ 3.46Å; N477-K481 WeakPolarHBondContact O-CB 3.39Å; N477-K481 PolarHBondContact O-N 3.5Å; L478-K481 PolarHBondContact O-N 3.25Å; I479-K481 VanDerWaalsContact C-N 3.25Å; I479-K481 PolarHBondContact O-N 2.87Å
482Y88.8Confident92.9Very high42 Ų4249.4 Ų49.417%0.16525%0.253CS..Hα-helixtrans-110.2-21.1-172.1-66-76.2000114.4W183 V407 L412 L478 P484W183-Y482 HydrophobicContact CH2-CD2 4.27Å; W183-Y482 HydrophobicContact CH2-CG 4.29Å; W183-Y482 AromaticContact CZ3-CD2 3.62Å; W183-Y482 HydrophobicContact CZ3-CD2 3.62Å; W183-Y482 HydrophobicContact CZ3-CE2 4.08Å; W183-Y482 AromaticContact CZ3-CG 3.96Å; W183-Y482 HydrophobicContact CZ3-CG 3.96Å; V407-Y482 HydrophobicContact CB-CE1 4.18Å; V407-Y482 HydrophobicContact CG2-CD1 4.37Å; V407-Y482 HydrophobicContact CG2-CE1 3.65Å; L412-Y482 HydrophobicContact CD1-CD1 4.03Å; L412-Y482 HydrophobicContact CD2-CD1 3.9Å; L412-Y482 HydrophobicContact CD2-CG 4.12Å; L478-Y482 HydrophobicContact CD2-CD2 3.87Å; L478-Y482 HydrophobicContact CD2-CE2 3.57Å; L478-Y482 WeakPolarHBondContact O-CB 3.26Å; L478-Y482 WeakPolarHBondContact O-CD2 3.47Å; L478-Y482 PolarHBondContact O-N 3.02Å; Y482-P484 VanDerWaalsContact C-CD 3.47Å
483L92.1Very high92.8Very high9 Ų952.8 Ų52.85%0.04727%0.27CS..  trans-132.452.6-179-59.3174.6000112P414 L417 L425 I479 S485 E486 F487P414-L483 HydrophobicContact CB-CD1 4.27Å; P414-L483 HydrophobicContact CB-CD2 4.31Å; P414-L483 HydrophobicContact CG-CD2 3.94Å; L417-L483 HydrophobicContact CB-CD1 4.26Å; L417-L483 HydrophobicContact CD1-CD1 3.71Å; L425-L483 HydrophobicContact CD1-CD1 3.76Å; I479-L483 CarbonylContact O-C 3.59Å; I479-L483 VanDerWaalsContact O-C 3.25Å; I479-L483 WeakPolarHBondContact O-CA 3.18Å; I479-L483 PolarHBondContact O-N 3.28Å; L483-S485 PolarHBondContact O-N 3.4Å; L483-E486 HydrophobicContact CB-CB 4.45Å; L483-F487 WeakPolarHBondContact O-CB 3.44Å; L483-F487 PolarHBondContact O-N 2.96Å
484P93.4Very high92.7Very high66 Ų6651.7 Ų51.743%0.42926%0.261SS..Hα-helixtrans-66-35.5-170.827.1-35.5000113.6Y482 I488Y482-P484 VanDerWaalsContact C-CD 3.47Å; P484-I488 WeakPolarHBondContact O-CD1 3.46Å; P484-I488 VanDerWaalsContact O-CG1 3.26Å; P484-I488 WeakPolarHBondContact O-CG1 3.41Å; P484-I488 PolarHBondContact O-N 2.82Å
485S93.4Very high92.6Very high71 Ų7156 Ų5650%0.49728%0.281SS..Hα-helixtrans-62.7-53.617817.40000111.5L483 F487 I488 E489L483-S485 PolarHBondContact O-N 3.4Å; S485-F487 VanDerWaalsContact C-N 3.26Å; S485-F487 PolarHBondContact O-N 3.39Å; S485-I488 PolarHBondContact O-N 2.88Å; S485-E489 PolarHBondContact O-N 3.17Å
486E94.1Very high92.5Very high64 Ų6461.2 Ų61.230%0.29931%0.306SS..Hα-helixtrans-65.6-32.6-179-59.789.4147.900110.8L425 L483 R490L425-E486 VanDerWaalsContact CD2-C 3.5Å; L425-E486 HydrophobicContact CD2-CB 3.84Å; L425-E486 WeakPolarHBondContact CD2-O 3.4Å; L483-E486 HydrophobicContact CB-CB 4.45Å; E486-R490 WeakPolarHBondContact O-CB 3.45Å; E486-R490 PolarHBondContact O-N 3.44Å
487F94.3Very high92.4Very high30 Ų3062.6 Ų62.613%0.13231%0.312CS..Hα-helixtrans-67.2-44.2172.9-171.8-119.7000112.8L425 Y427 E476 I479 L483 S485 R490 Q491L425-F487 HydrophobicContact CD2-CB 4.37Å; Y427-F487 HydrophobicContact CD2-CE2 4.5Å; E476-F487 HydrophobicContact CG-CZ 4.45Å; I479-F487 HydrophobicContact CG2-CB 3.73Å; I479-F487 HydrophobicContact CG2-CD2 3.4Å; I479-F487 HydrophobicContact CG2-CE2 4.22Å; I479-F487 HydrophobicContact CG2-CG 3.75Å; L483-F487 WeakPolarHBondContact O-CB 3.44Å; L483-F487 PolarHBondContact O-N 2.96Å; S485-F487 VanDerWaalsContact C-N 3.26Å; S485-F487 PolarHBondContact O-N 3.39Å; F487-R490 PolarHBondContact O-N 3.07Å; F487-Q491 WeakPolarHBondContact O-CB 3.49Å; F487-Q491 PolarHBondContact O-N 3.08Å
488I94.7Very high92.2Very high114 Ų11460.7 Ų60.759%0.58530%0.302SS*.Hα-helixtrans-62.4-44.3176-69.9163.2000110.5P484 S485 R490 Q491 K492P484-I488 WeakPolarHBondContact O-CD1 3.46Å; P484-I488 VanDerWaalsContact O-CG1 3.26Å; P484-I488 WeakPolarHBondContact O-CG1 3.41Å; P484-I488 PolarHBondContact O-N 2.82Å; S485-I488 PolarHBondContact O-N 2.88Å; I488-R490 VanDerWaalsContact C-N 3.34Å; I488-R490 PolarHBondContact O-N 3.26Å; I488-Q491 PolarHBondContact O-N 2.95Å; I488-K492 WeakPolarHBondContact O-CB 3.38Å; I488-K492 PolarHBondContact O-N 2.74Å
489E94.6Very high92.2Very high130 Ų13063.5 Ų63.561%0.60733%0.325SS*.Hα-helixtrans-61.7-42.3173.9-70.4-174.4175.200111.8S485 Q491 K492 M493S485-E489 PolarHBondContact O-N 3.17Å; E489-Q491 PolarHBondContact O-N 2.76Å; E489-K492 PolarHBondContact O-N 2.95Å; E489-M493 WeakPolarHBondContact O-CG 3.34Å; E489-M493 PolarHBondContact O-N 2.86Å
490R94.4Very high92Very high11 Ų1167.7 Ų67.74%0.04234%0.344CS..Hα-helixtrans-65.2-38.4179-178.264.6-165.994.2-5112.8L425 Y427 E486 F487 I488 H494L425-R490 HydrophobicContact CB-CG 4.41Å; L425-R490 HydrophobicContact CD2-CB 4.16Å; L425-R490 WeakPolarHBondContact O-CD 3.38Å; L425-R490 PolarHBondContact O-NE 2.86Å; Y427-R490 HydrophobicContact CD2-CG 4.03Å; Y427-R490 HydrophobicContact CG-CG 4.33Å; E486-R490 WeakPolarHBondContact O-CB 3.45Å; E486-R490 PolarHBondContact O-N 3.44Å; F487-R490 PolarHBondContact O-N 3.07Å; I488-R490 VanDerWaalsContact C-N 3.34Å; I488-R490 PolarHBondContact O-N 3.26Å; R490-H494 PolarHBondContact O-N 3.4Å
491Q93.9Very high91.8Very high71 Ų7166.6 Ų66.633%0.33233%0.334SS..Hα-helixtrans-66.5-49.9173.7-179.9177.5-18.900110.6Y427 F487 I488 E489 M493 H494 E495Y427-Q491 HydrophobicContact CE2-CB 4Å; Y427-Q491 HydrophobicContact CE2-CG 4.24Å; F487-Q491 WeakPolarHBondContact O-CB 3.49Å; F487-Q491 PolarHBondContact O-N 3.08Å; I488-Q491 PolarHBondContact O-N 2.95Å; E489-Q491 PolarHBondContact O-N 2.76Å; Q491-M493 VanDerWaalsContact C-N 3.33Å; Q491-M493 PolarHBondContact O-N 3.4Å; Q491-H494 WeakPolarHBondContact O-CA 3.13Å; Q491-H494 WeakPolarHBondContact O-CB 3.49Å; Q491-H494 PolarHBondContact O-N 2.95Å; Q491-E495 HydrophobicContact CG-CG 4.41Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.36Å; Q491-E495 PolarHBondContact NE2-OE1 3.03Å; Q491-E495 PolarHBondContact O-N 2.97Å
492K94.9Very high91.8Very high119 Ų11964.5 Ų64.552%0.51733%0.331SS..Hα-helixtrans-55.5-46177.3-179.6-176.7167.2-172.80112.1I488 E489 H494 E495 E496I488-K492 WeakPolarHBondContact O-CB 3.38Å; I488-K492 PolarHBondContact O-N 2.74Å; E489-K492 PolarHBondContact O-N 2.95Å; K492-H494 VanDerWaalsContact C-N 3.28Å; K492-H494 PolarHBondContact O-N 3.49Å; K492-E495 PolarHBondContact O-N 3.45Å; K492-E496 WeakPolarHBondContact CE-OE1 3.33Å; K492-E496 HydrophobicContact CG-CG 4.49Å; K492-E496 IonicContact NZ-OE1 2.64Å; K492-E496 WeakPolarHBondContact O-CG 3.38Å; K492-E496 PolarHBondContact O-N 3Å
493M92.6Very high92Very high72 Ų7265.5 Ų65.536%0.35534%0.339SS..Hα-helixtrans-58.8-38.4175.6-76.9-171.9-74.900112.5E489 Q491 E497E489-M493 WeakPolarHBondContact O-CG 3.34Å; E489-M493 PolarHBondContact O-N 2.86Å; Q491-M493 VanDerWaalsContact C-N 3.33Å; Q491-M493 PolarHBondContact O-N 3.4Å; M493-E497 WeakPolarHBondContact O-CB 3.39Å; M493-E497 VanDerWaalsContact O-CG 3.26Å; M493-E497 WeakPolarHBondContact O-CG 3.37Å; M493-E497 PolarHBondContact O-N 3.49Å
494H90.9Very high91.9Very high23 Ų2366.8 Ų66.811%0.10635%0.346CS..Hα-helixtrans-70-42.4176.2173.583.1000111.9Y427 Q441 R490 Q491 K492 E496 E497 M498Y427-H494 HydrophobicContact CD1-CB 4.2Å; Y427-H494 AromaticContact CD1-CG 3.92Å; Y427-H494 AromaticContact CD1-ND1 3.96Å; Y427-H494 HydrophobicContact CE1-CB 3.83Å; Y427-H494 AromaticContact CE1-CD2 3.32Å; Y427-H494 WeakPolarHBondContact CE1-CD2 3.3Å; Y427-H494 AromaticContact CE1-CE1 3.74Å; Y427-H494 AromaticContact CE1-CG 3.3Å; Y427-H494 AromaticContact CE1-ND1 3.6Å; Y427-H494 AromaticContact CE1-NE2 3.59Å; Y427-H494 HydrophobicContact CE2-CB 4.43Å; Y427-H494 AromaticContact CZ-CD2 3.53Å; Y427-H494 AromaticContact CZ-CG 3.73Å; Y427-H494 PolarHBondContact OH-CD2 3.01Å; Y427-H494 VanDerWaalsContact OH-CD2 3.25Å; Q441-H494 PolarHBondContact OE1-CE1 3.33Å; Q441-H494 PolarHBondContact OE1-ND1 3.41Å; R490-H494 PolarHBondContact O-N 3.4Å; Q491-H494 WeakPolarHBondContact O-CA 3.13Å; Q491-H494 WeakPolarHBondContact O-CB 3.49Å; Q491-H494 PolarHBondContact O-N 2.95Å; K492-H494 VanDerWaalsContact C-N 3.28Å; K492-H494 PolarHBondContact O-N 3.49Å; H494-E496 VanDerWaalsContact C-N 3.32Å; H494-E496 PolarHBondContact O-N 3.28Å; H494-E497 PolarHBondContact O-N 3.39Å; H494-M498 WeakPolarHBondContact O-CB 3.46Å; H494-M498 VanDerWaalsContact O-CG 3.24Å; H494-M498 WeakPolarHBondContact O-CG 3.47Å; H494-M498 PolarHBondContact O-N 3.23Å
495E90.9Very high91.8Very high101 Ų10167.5 Ų67.547%0.47235%0.346SS..Hα-helixtrans-60.6-40.8175.8-70.3173-177.700111.6Q491 K492 M498 A499Q491-E495 HydrophobicContact CG-CG 4.41Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.36Å; Q491-E495 PolarHBondContact NE2-OE1 3.03Å; Q491-E495 PolarHBondContact O-N 2.97Å; K492-E495 PolarHBondContact O-N 3.45Å; E495-M498 PolarHBondContact O-N 2.82Å; E495-A499 VanDerWaalsContact O-CB 3.24Å; E495-A499 WeakPolarHBondContact O-CB 3.07Å; E495-A499 PolarHBondContact O-N 2.7Å
496E92.5Very high91.7Very high109 Ų10970.6 Ų70.651%0.50935%0.351SS..Hα-helixtrans-66.5-45.7174.1-71.3175.316700112.2K492 H494 M498 A499 E500K492-E496 WeakPolarHBondContact CE-OE1 3.33Å; K492-E496 HydrophobicContact CG-CG 4.49Å; K492-E496 IonicContact NZ-OE1 2.64Å; K492-E496 WeakPolarHBondContact O-CG 3.38Å; K492-E496 PolarHBondContact O-N 3Å; H494-E496 VanDerWaalsContact C-N 3.32Å; H494-E496 PolarHBondContact O-N 3.28Å; E496-M498 VanDerWaalsContact C-N 3.32Å; E496-M498 PolarHBondContact O-N 2.65Å; E496-A499 PolarHBondContact O-N 3.5Å; E496-E500 PolarHBondContact O-N 3.06Å
497E89Confident91.6Very high64 Ų6468.7 Ų68.730%0.29935%0.345SS..Hα-helixtrans-59.1-40.7174.4-77.5173.3-179.500111.6R424 M493 H494 L501R424-E497 IonicContact CZ-OE1 3.58Å; R424-E497 IonicContact NH1-OE1 2.69Å; R424-E497 PolarHBondContact NH1-OE1 3.19Å; M493-E497 WeakPolarHBondContact O-CB 3.39Å; M493-E497 VanDerWaalsContact O-CG 3.26Å; M493-E497 WeakPolarHBondContact O-CG 3.37Å; M493-E497 PolarHBondContact O-N 3.49Å; H494-E497 PolarHBondContact O-N 3.39Å; E497-L501 VanDerWaalsContact O-CG 3.32Å; E497-L501 WeakPolarHBondContact O-CG 3.18Å; E497-L501 PolarHBondContact O-N 3.26Å; E497-L501 VanDerWaalsContact O-N 3.16Å
498M88Confident91.6Very high31 Ų3167.3 Ų67.315%0.15334%0.338CS..Hα-helixtrans-75.2-35.5178.8-68.8-59.8-72.500113.1H494 E495 E496 E500 L501 S502 E540 T541H494-M498 WeakPolarHBondContact O-CB 3.46Å; H494-M498 VanDerWaalsContact O-CG 3.24Å; H494-M498 WeakPolarHBondContact O-CG 3.47Å; H494-M498 PolarHBondContact O-N 3.23Å; E495-M498 PolarHBondContact O-N 2.82Å; E496-M498 VanDerWaalsContact C-N 3.32Å; E496-M498 PolarHBondContact O-N 2.65Å; M498-E500 VanDerWaalsContact C-N 3.35Å; M498-L501 PolarHBondContact O-N 3.07Å; M498-L501 HydrophobicContact SD-CD1 4.49Å; M498-S502 WeakPolarHBondContact O-CB 3.31Å; M498-S502 PolarHBondContact O-N 3.24Å; M498-S502 PolarHBondContact O-OG 2.97Å; M498-E540 VanDerWaalsContact CE-C 3.5Å; M498-E540 HydrophobicContact CE-CB 3.88Å; M498-E540 WeakPolarHBondContact CE-O 3.32Å; M498-T541 HydrophobicContact CE-CG2 3.67Å; M498-T541 HydrophobicContact SD-CG2 4.32Å
499A89.8Confident91.6Very high61 Ų6162.6 Ų62.650%0.50432%0.315SS..Hα-helixtrans-66.7-35.7173.600000112.1E495 E496 S502E495-A499 VanDerWaalsContact O-CB 3.24Å; E495-A499 WeakPolarHBondContact O-CB 3.07Å; E495-A499 PolarHBondContact O-N 2.7Å; E496-A499 PolarHBondContact O-N 3.5Å; A499-S502 PolarHBondContact O-OG 3.42Å; A499-S502 VanDerWaalsContact O-OG 3.13Å
500E88.8Confident91.7Very high89 Ų8956.4 Ų56.442%0.41629%0.286SS..Hα-helixtrans-64.6-48.2172.4-164.9-147.6168.100111.1E496 M498 S502 N503 R595E496-E500 PolarHBondContact O-N 3.06Å; M498-E500 VanDerWaalsContact C-N 3.35Å; E500-S502 VanDerWaalsContact C-N 3.31Å; E500-S502 PolarHBondContact O-N 2.96Å; E500-N503 VanDerWaalsContact O-CB 3.29Å; E500-N503 WeakPolarHBondContact O-CB 2.89Å; E500-N503 PolarHBondContact O-N 3.43Å; E500-R595 IonicContact OE1-NH1 2.73Å; E500-R595 PolarHBondContact OE1-NH1 2.99Å; E500-R595 IonicContact OE2-CZ 3.95Å; E500-R595 VanDerWaalsContact OE2-CZ 3.3Å; E500-R595 IonicContact OE2-NH1 3.44Å; E500-R595 PolarHBondContact OE2-NH1 3.29Å; E500-R595 IonicContact OE2-NH2 3.39Å; E500-R595 PolarHBondContact OE2-NH2 2.82Å
501L87.1Confident91.8Very high31 Ų3156.8 Ų56.816%0.16229%0.288CS..Hα-helixtrans-69-24.6-179-72.2170.7000113.8E497 M498 N503 T541E497-L501 VanDerWaalsContact O-CG 3.32Å; E497-L501 WeakPolarHBondContact O-CG 3.18Å; E497-L501 PolarHBondContact O-N 3.26Å; E497-L501 VanDerWaalsContact O-N 3.16Å; M498-L501 PolarHBondContact O-N 3.07Å; M498-L501 HydrophobicContact SD-CD1 4.49Å; L501-N503 VanDerWaalsContact C-N 3.26Å; L501-N503 PolarHBondContact O-N 2.74Å; L501-T541 HydrophobicContact CB-CG2 3.63Å
502S90.8Very high91.8Very high46 Ų4655 Ų5532%0.32228%0.282SS..THydrogen-bonded Turntrans-79.6-5.7176.772.30000113.9M498 A499 E500 L504 T543M498-S502 WeakPolarHBondContact O-CB 3.31Å; M498-S502 PolarHBondContact O-N 3.24Å; M498-S502 PolarHBondContact O-OG 2.97Å; A499-S502 PolarHBondContact O-OG 3.42Å; A499-S502 VanDerWaalsContact O-OG 3.13Å; E500-S502 VanDerWaalsContact C-N 3.31Å; E500-S502 PolarHBondContact O-N 2.96Å; S502-L504 PolarHBondContact O-N 2.74Å; S502-L504 VanDerWaalsContact O-N 3.08Å; S502-T543 VanDerWaalsContact O-CG2 3.29Å; S502-T543 WeakPolarHBondContact O-CG2 3.23Å
503N91.3Very high91.6Very high64 Ų6452.3 Ų52.334%0.34228%0.278SS..  trans-73.1102.5-176.2-165.7-45.8000111.8E500 L501 N505 K506E500-N503 VanDerWaalsContact O-CB 3.29Å; E500-N503 WeakPolarHBondContact O-CB 2.89Å; E500-N503 PolarHBondContact O-N 3.43Å; L501-N503 VanDerWaalsContact C-N 3.26Å; L501-N503 PolarHBondContact O-N 2.74Å; N503-N505 PolarHBondContact O-N 3.16Å; N503-N505 VanDerWaalsContact O-N 3.08Å; N503-N505 WeakPolarHBondContact OD1-CA 3.43Å; N503-N505 WeakPolarHBondContact OD1-CB 3.16Å; N503-N505 PolarHBondContact OD1-N 3.25Å; N503-K506 PolarHBondContact OD1-N 2.98Å
504L90.8Very high91.5Very high35 Ų3552.1 Ų52.118%0.18328%0.281CS..SBendtrans-76.714.2178.4-64.5-178.1000114.7S502 V508 T543 C545 Y605S502-L504 PolarHBondContact O-N 2.74Å; S502-L504 VanDerWaalsContact O-N 3.08Å; L504-V508 VanDerWaalsContact C-CG2 3.42Å; L504-V508 WeakPolarHBondContact O-CG2 3.44Å; L504-T543 HydrophobicContact CD1-CG2 4.44Å; L504-T543 HydrophobicContact CD2-CG2 4.07Å; L504-T543 HydrophobicContact CG-CG2 4.1Å; L504-C545 HydrophobicContact CD1-CB 4.06Å; L504-C545 HydrophobicContact CD2-CB 3.9Å; L504-Y605 VanDerWaalsContact O-CE2 3.22Å; L504-Y605 WeakPolarHBondContact O-CE2 3.34Å; L504-Y605 VanDerWaalsContact O-CZ 3.27Å; L504-Y605 PolarHBondContact O-OH 3.24Å
505N92.1Very high91.6Very high81 Ų8152.1 Ų52.143%0.43328%0.281SS..SBendtrans-121.2-25.8173.6-77.989.9000113.4N503 V603N503-N505 PolarHBondContact O-N 3.16Å; N503-N505 VanDerWaalsContact O-N 3.08Å; N503-N505 WeakPolarHBondContact OD1-CA 3.43Å; N503-N505 WeakPolarHBondContact OD1-CB 3.16Å; N503-N505 PolarHBondContact OD1-N 3.25Å; N505-V603 PolarHBondContact O-N 2.7Å
506K91.2Very high91.8Very high136 Ų13647.6 Ų47.659%0.59126%0.261SS*.SBendtrans-123.3140.8-180-67.4-173176.6-176.60110.7N503 V508 D602N503-K506 PolarHBondContact OD1-N 2.98Å; K506-V508 PolarHBondContact O-N 3.04Å; K506-V508 VanDerWaalsContact O-N 3.13Å; K506-D602 WeakPolarHBondContact CA-OD1 3.48Å
507S90.4Very high91.9Very high25 Ų2542.7 Ų42.718%0.17524%0.238CC..SBendtrans53.628.3-179.6-600000114.4T600 A601 D602S507-T600 WeakPolarHBondContact O-CG2 3.44Å; S507-A601 CarbonylContact C-O 3.57Å; S507-A601 PolarHBondContact N-O 2.84Å; S507-D602 PolarHBondContact N-OD1 3.23Å
508V94.7Very high92.3Very high0 Ų039.6 Ų39.60%022%0.223CC..EExtended strand (participates in β ladder)trans-58128.2-179.4-177.80000109.5L504 K506 I510 L563 T600 A601 V603L504-V508 VanDerWaalsContact C-CG2 3.42Å; L504-V508 WeakPolarHBondContact O-CG2 3.44Å; K506-V508 PolarHBondContact O-N 3.04Å; K506-V508 VanDerWaalsContact O-N 3.13Å; V508-I510 PolarHBondContact O-N 3.36Å; V508-L563 HydrophobicContact CG1-CD1 4.09Å; V508-T600 CarbonylContact O-C 3.48Å; V508-T600 WeakPolarHBondContact O-CA 3.43Å; V508-A601 WeakPolarHBondContact CB-O 3.49Å; V508-A601 PolarHBondContact N-O 3.06Å; V508-A601 PolarHBondContact O-N 2.74Å; V508-V603 HydrophobicContact CB-CG1 4.3Å; V508-V603 HydrophobicContact CB-CG2 4.48Å; V508-V603 HydrophobicContact CG2-CG1 4.28Å; V508-V603 HydrophobicContact CG2-CG2 3.69Å
509P96.1Very high92.5Very high15 Ų1541.3 Ų41.310%0.09724%0.235CC..EExtended strand (participates in β ladder)trans-61.9130.5177.721.3-29.9000111.2M534 F546 G547 Y598P509-M534 HydrophobicContact CB-CG 3.48Å; P509-M534 VanDerWaalsContact CB-CG 3.48Å; P509-M534 HydrophobicContact CB-SD 3.83Å; P509-M534 HydrophobicContact CG-CG 4.47Å; P509-F546 HydrophobicContact CB-CB 4.15Å; P509-F546 HydrophobicContact CG-CB 3.81Å; P509-G547 PolarHBondContact O-N 3.44Å; P509-Y598 HydrophobicContact CB-CD2 4.34Å; P509-Y598 HydrophobicContact CB-CE2 3.86Å
510I96.2Very high92.7Very high0 Ų038.8 Ų38.80%021%0.214CC..EExtended strand (participates in β ladder)trans-115.7117.5-179-55.2-58.1000110.7V508 V512 G547 C549 F557 F587 I589 N599 A601V508-I510 PolarHBondContact O-N 3.36Å; I510-V512 HydrophobicContact CG2-CG2 4.08Å; I510-G547 CarbonylContact C-O 3.58Å; I510-G547 WeakPolarHBondContact CA-O 3.35Å; I510-C549 HydrophobicContact CG2-CB 4.06Å; I510-F557 HydrophobicContact CB-CZ 4.38Å; I510-F557 HydrophobicContact CG1-CE2 4.33Å; I510-F557 HydrophobicContact CG1-CZ 4.24Å; I510-F557 HydrophobicContact CG2-CD2 4.15Å; I510-F557 HydrophobicContact CG2-CE1 4.46Å; I510-F557 HydrophobicContact CG2-CE2 4Å; I510-F557 HydrophobicContact CG2-CG 4.43Å; I510-F557 HydrophobicContact CG2-CZ 4.15Å; I510-F587 HydrophobicContact CD1-CE2 4.35Å; I510-F587 HydrophobicContact CD1-CZ 4.04Å; I510-I589 HydrophobicContact CD1-CD1 4.29Å; I510-N599 HydrophobicContact CB-CB 4.02Å; I510-N599 PolarHBondContact N-O 3.01Å; I510-A601 HydrophobicContact CD1-CB 4.05Å; I510-A601 HydrophobicContact CG1-CB 3.74Å
511F96.4Very high93Very high19 Ų1936.3 Ų36.38%0.08321%0.205CC..EExtended strand (participates in β ladder)trans-86.7125.8166-166.4-115.8000109.6C513 L524 I526 Y531 M534 F546 G547 M548 C549F511-C513 HydrophobicContact CD1-CB 3.71Å; F511-C513 HydrophobicContact CE1-CB 3.36Å; F511-C513 HydrophobicContact CZ-CB 4.16Å; F511-L524 HydrophobicContact CD1-CD1 4.01Å; F511-L524 HydrophobicContact CE1-CD1 4.03Å; F511-L524 HydrophobicContact CE1-CD2 4.1Å; F511-I526 HydrophobicContact CD2-CD1 4.35Å; F511-I526 HydrophobicContact CE1-CD1 4.32Å; F511-I526 HydrophobicContact CE2-CD1 3.63Å; F511-I526 HydrophobicContact CZ-CD1 3.61Å; F511-Y531 AromaticContact CD2-CD1 3.56Å; F511-Y531 HydrophobicContact CD2-CD1 3.56Å; F511-Y531 HydrophobicContact CD2-CD2 4.06Å; F511-Y531 AromaticContact CD2-CE1 3.7Å; F511-Y531 HydrophobicContact CD2-CE1 3.7Å; F511-Y531 HydrophobicContact CD2-CE2 4.21Å; F511-Y531 AromaticContact CD2-CG 3.75Å; F511-Y531 HydrophobicContact CD2-CG 3.75Å; F511-Y531 AromaticContact CE2-CD1 3.98Å; F511-Y531 HydrophobicContact CE2-CD1 3.98Å; F511-Y531 AromaticContact CE2-CD2 3.62Å; F511-Y531 HydrophobicContact CE2-CD2 3.62Å; F511-Y531 HydrophobicContact CE2-CE1 4.24Å; F511-Y531 AromaticContact CE2-CE2 3.93Å; F511-Y531 HydrophobicContact CE2-CE2 3.93Å; F511-Y531 AromaticContact CE2-CG 3.66Å; F511-Y531 HydrophobicContact CE2-CG 3.66Å; F511-M534 HydrophobicContact CB-CE 4.09Å; F511-M534 HydrophobicContact CD2-CE 4.15Å; F511-M534 HydrophobicContact CG-CE 4.48Å; F511-F546 HydrophobicContact CB-CD2 3.77Å; F511-F546 HydrophobicContact CB-CE2 3.7Å; F511-F546 HydrophobicContact CG-CE2 4.27Å; F511-G547 PolarHBondContact N-O 3.11Å; F511-M548 HydrophobicContact CB-CG 4.39Å; F511-M548 HydrophobicContact CD1-CG 4.11Å; F511-M548 HydrophobicContact CD1-SD 3.79Å; F511-M548 HydrophobicContact CE1-SD 4.42Å; F511-M548 WeakPolarHBondContact O-CA 3.27Å; F511-M548 WeakPolarHBondContact O-CG 3.46Å; F511-C549 PolarHBondContact O-N 3.3Å
512V93.8Very high93.3Very high34 Ų3435.8 Ų35.821%0.20620%0.204CC..EExtended strand (participates in β ladder)trans-105.5107-179.2-176.50000108.7I510 C549 F557I510-V512 HydrophobicContact CG2-CG2 4.08Å; V512-C549 WeakPolarHBondContact CA-O 3.19Å; V512-F557 HydrophobicContact CG1-CB 3.98Å; V512-F557 HydrophobicContact CG2-CB 3.8Å; V512-F557 HydrophobicContact CG2-CD1 3.72Å; V512-F557 HydrophobicContact CG2-CG 3.94Å
513C91.2Very high93.4Very high63 Ų6336.7 Ų36.743%0.42621%0.209SC..EExtended strand (participates in β ladder)trans-154.4-81.4-175.6-170.60000112.3F511 M548 C549F511-C513 HydrophobicContact CD1-CB 3.71Å; F511-C513 HydrophobicContact CE1-CB 3.36Å; F511-C513 HydrophobicContact CZ-CB 4.16Å; C513-M548 HydrophobicContact CB-SD 4.44Å; C513-C549 PolarHBondContact N-O 3.36Å
514T90.4Very high93.6Very high67 Ų6734.4 Ų34.441%0.41120%0.196SC..SBendtrans-133.5174.5-174.854.30000111.6M548T514-M548 WeakPolarHBondContact O-CE 3.45Å; T514-M548 WeakPolarHBondContact OG1-CE 3.45Å
515M92Very high93.7Very high24 Ų2436.9 Ų36.912%0.11821%0.207CC..  trans-73.4126.6173.8-68.3-62.4-63.400110.8F517 L550 Q683 L684 L687M515-F517 HydrophobicContact CB-CE2 4.02Å; M515-F517 HydrophobicContact CB-CZ 3.86Å; M515-F517 HydrophobicContact CE-CE1 4.27Å; M515-F517 HydrophobicContact CE-CZ 4.37Å; M515-L550 HydrophobicContact SD-CB 3.87Å; M515-L550 HydrophobicContact SD-CD2 4.35Å; M515-Q683 HydrophobicContact CE-CB 4.39Å; M515-Q683 HydrophobicContact CG-CB 4.32Å; M515-L684 HydrophobicContact CE-CB 4.28Å; M515-L684 HydrophobicContact CE-CD1 4.02Å; M515-L684 HydrophobicContact SD-CB 4.48Å; M515-L684 HydrophobicContact SD-CD1 4.2Å; M515-L687 HydrophobicContact CE-CB 4.13Å; M515-L687 HydrophobicContact CE-CD2 3.74Å; M515-L687 HydrophobicContact CE-CG 4.49Å
516A94.9Very high93.7Very high5 Ų533.1 Ų33.14%0.04119%0.187CC..  trans-106.7154.616500000111.1M548 C562 L564A516-M548 HydrophobicContact CB-CB 4.37Å; A516-M548 HydrophobicContact CB-CE 3.46Å; A516-M548 VanDerWaalsContact CB-CE 3.46Å; A516-C562 HydrophobicContact CB-CB 3.85Å; A516-C562 WeakPolarHBondContact O-CB 3.12Å; A516-L564 HydrophobicContact CB-CD1 4.48Å; A516-L564 HydrophobicContact CB-CD2 3.64Å; A516-L564 HydrophobicContact CB-CG 4.25Å
517F95.9Very high93.7Very high6 Ų632 Ų323%0.02618%0.182CC..  trans-132.7149.4178.6-54.8-81.3000111.3M515 V520 G583 W670 L673 A674 Q683 L687M515-F517 HydrophobicContact CB-CE2 4.02Å; M515-F517 HydrophobicContact CB-CZ 3.86Å; M515-F517 HydrophobicContact CE-CE1 4.27Å; M515-F517 HydrophobicContact CE-CZ 4.37Å; F517-V520 HydrophobicContact CB-CB 4.39Å; F517-V520 HydrophobicContact CB-CG2 3.94Å; F517-V520 PolarHBondContact O-N 2.87Å; F517-G583 WeakPolarHBondContact O-CA 3.38Å; F517-W670 HydrophobicContact CB-CB 4.01Å; F517-W670 HydrophobicContact CB-CE3 4.09Å; F517-W670 AromaticContact CD1-CE3 3.75Å; F517-W670 HydrophobicContact CD1-CE3 3.75Å; F517-W670 HydrophobicContact CD1-CZ3 4.1Å; F517-W670 HydrophobicContact CG-CE3 4.32Å; F517-L673 HydrophobicContact CE1-CB 4.35Å; F517-A674 HydrophobicContact CD2-CB 3.79Å; F517-A674 HydrophobicContact CE2-CB 4.11Å; F517-Q683 HydrophobicContact CE1-CB 4.38Å; F517-Q683 HydrophobicContact CZ-CB 3.89Å; F517-Q683 HydrophobicContact CZ-CG 4.13Å; F517-L687 HydrophobicContact CD1-CD1 3.88Å; F517-L687 HydrophobicContact CE1-CD1 4.37Å
518P95.7Very high93.6Very high0 Ų034.8 Ų34.80%019%0.193CC..BIsolated β-bridgetrans-51.2141.6173-27.235.5000112.5V520 R586 N664 W670P518-V520 PolarHBondContact O-N 3.17Å; P518-V520 VanDerWaalsContact O-N 3.07Å; P518-R586 HydrophobicContact CG-CG 3.54Å; P518-N664 HydrophobicContact CB-CB 3.93Å; P518-N664 HydrophobicContact CG-CB 3.89Å; P518-W670 HydrophobicContact CB-CG 4.24Å; P518-W670 HydrophobicContact CG-CD2 4.22Å; P518-W670 HydrophobicContact CG-CG 4.45Å; P518-W670 HydrophobicContact CG-CZ2 4.47Å; P518-W670 WeakPolarHBondContact O-CB 3.36Å
519T93.4Very high93.2Very high66 Ų6636.9 Ų36.941%0.40521%0.206SC..THydrogen-bonded Turntrans64.9-5-179.570.10000116.7I582 G583T519-I582 WeakPolarHBondContact O-CD1 3.32Å; T519-G583 PolarHBondContact N-O 3Å
520V94.6Very high93Very high9 Ų937.2 Ų37.26%0.05521%0.208CC..  trans-90.8129.6179.9-1760000110.6F517 P518 G583 F649 W670 A674F517-V520 HydrophobicContact CB-CB 4.39Å; F517-V520 HydrophobicContact CB-CG2 3.94Å; F517-V520 PolarHBondContact O-N 2.87Å; P518-V520 PolarHBondContact O-N 3.17Å; P518-V520 VanDerWaalsContact O-N 3.07Å; V520-G583 PolarHBondContact O-N 3.35Å; V520-G583 VanDerWaalsContact O-N 3.08Å; V520-F649 HydrophobicContact CG1-CD1 3.67Å; V520-F649 HydrophobicContact CG1-CE1 4.09Å; V520-W670 HydrophobicContact CG2-CB 4.17Å; V520-A674 HydrophobicContact CG1-CB 3.97Å; V520-A674 HydrophobicContact CG2-CB 4.25Å
521P94Very high92.8Very high36 Ų3638.5 Ų38.523%0.23421%0.214CC..BIsolated β-bridgetrans-64143.1171.4-20.933.3000112.2T581P521-T581 CarbonylContact C-O 3.48Å; P521-T581 WeakPolarHBondContact CA-O 3.37Å
522C93.4Very high92.4Very high21 Ų2138.8 Ų38.814%0.14221%0.214CC..  trans-140.488.5176.5-166.20000110.1L524 L564 T581C522-L524 PolarHBondContact O-N 3.34Å; C522-L564 HydrophobicContact CB-CD1 4.5Å; C522-L564 HydrophobicContact CB-CD2 4.28Å; C522-T581 PolarHBondContact N-O 3.14Å; C522-T581 PolarHBondContact O-N 2.91Å; C522-T581 PolarHBondContact O-OG1 3.36Å
523P93Very high92.2Very high64 Ų6437.4 Ų37.442%0.41621%0.206SC..  trans-73.5125.9175.429.2-33000110.2V579P523-V579 WeakPolarHBondContact CA-O 3.29Å
524L94.6Very high92.3Very high16 Ų1634.5 Ų34.58%0.08419%0.186CC..EExtended strand (participates in β ladder)trans-117.3141.3-176.3-62.1174.5000111.3F511 C522 I526 F546 M548 L564 V578 V579F511-L524 HydrophobicContact CD1-CD1 4.01Å; F511-L524 HydrophobicContact CE1-CD1 4.03Å; F511-L524 HydrophobicContact CE1-CD2 4.1Å; C522-L524 PolarHBondContact O-N 3.34Å; L524-I526 HydrophobicContact CB-CD1 4.06Å; L524-I526 HydrophobicContact CB-CG1 4.43Å; L524-F546 HydrophobicContact CD1-CE2 4.05Å; L524-F546 HydrophobicContact CD1-CZ 3.71Å; L524-M548 HydrophobicContact CD1-SD 4.31Å; L524-M548 HydrophobicContact CD2-SD 4.25Å; L524-L564 HydrophobicContact CD1-CD1 4.17Å; L524-V578 CarbonylContact O-C 3.53Å; L524-V578 WeakPolarHBondContact O-CA 3.38Å; L524-V579 PolarHBondContact N-O 3.31Å; L524-V579 PolarHBondContact O-N 2.97Å
525H93.4Very high92.4Very high87 Ų8731.3 Ų31.340%0.40317%0.166SC..EExtended strand (participates in β ladder)trans-104.8108.9170.9173.3-117.4000109.2F527 S577 V578H525-F527 AromaticContact ND1-CD1 3.99Å; H525-S577 CarbonylContact C-O 3.49Å; H525-S577 WeakPolarHBondContact CA-O 3.42Å; H525-V578 HydrophobicContact CB-CG2 4.47Å
526I93.1Very high92.2Very high2 Ų230.8 Ų30.81%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-101.9117.3-174.4-55-60.2000108.7F511 L524 R532 I535 R576 S577 V579F511-I526 HydrophobicContact CD2-CD1 4.35Å; F511-I526 HydrophobicContact CE1-CD1 4.32Å; F511-I526 HydrophobicContact CE2-CD1 3.63Å; F511-I526 HydrophobicContact CZ-CD1 3.61Å; L524-I526 HydrophobicContact CB-CD1 4.06Å; L524-I526 HydrophobicContact CB-CG1 4.43Å; I526-R532 HydrophobicContact CG2-CG 4.13Å; I526-I535 HydrophobicContact CG1-CG1 4.24Å; I526-R576 CarbonylContact O-C 3.56Å; I526-R576 WeakPolarHBondContact O-CA 3.41Å; I526-S577 PolarHBondContact N-O 2.81Å; I526-S577 PolarHBondContact O-N 3.11Å; I526-V579 HydrophobicContact CG1-CG2 3.72Å
527F90.3Very high91.9Very high113 Ų11332.2 Ų32.250%0.49617%0.167SC..  trans-124-25.3-178.661.1-87.7000113.7H525 R576H525-F527 AromaticContact ND1-CD1 3.99Å; F527-R576 HydrophobicContact CB-CG 3.74Å
528E89.1Confident91.8Very high84 Ų8432.1 Ų32.139%0.39317%0.167SC..SBendtrans-75.1134.7-179.3-56.4-177.6-17200111.5C530 Y531 R532E528-C530 VanDerWaalsContact C-N 3.34Å; E528-C530 PolarHBondContact O-N 3.16Å; E528-Y531 HydrophobicContact CB-CD2 3.97Å; E528-Y531 HydrophobicContact CG-CD2 4.44Å; E528-Y531 PolarHBondContact O-N 3.3Å; E528-Y531 VanDerWaalsContact O-N 3.16Å; E528-Y531 WeakPolarHBondContact OE2-CE2 3.22Å; E528-R532 WeakPolarHBondContact O-CG 3.48Å; E528-R532 PolarHBondContact O-N 3.43Å
529P86.5Confident91.5Very high43 Ų4335.8 Ų35.828%0.27919%0.185SC..Hα-helixtrans-54.6-38.4-177.1-32.338.2000116D448 H449 R532 L533D448-P529 WeakPolarHBondContact O-CB 3.37Å; D448-P529 WeakPolarHBondContact O-CG 3.42Å; H449-P529 VanDerWaalsContact CE1-CB 3.44Å; H449-P529 WeakPolarHBondContact CE1-CB 3.18Å; H449-P529 VanDerWaalsContact ND1-CB 3.29Å; H449-P529 WeakPolarHBondContact ND1-CB 3.22Å; P529-R532 WeakPolarHBondContact O-CB 3.47Å; P529-R532 PolarHBondContact O-N 2.99Å; P529-L533 PolarHBondContact O-N 2.78Å
530C90.4Very high91.2Very high22 Ų2235.6 Ų35.615%0.14918%0.18CC..Hα-helixtrans-67.3-38.8179.555.70000112.1E528 L533 M534 G597 Y598E528-C530 VanDerWaalsContact C-N 3.34Å; E528-C530 PolarHBondContact O-N 3.16Å; C530-L533 WeakPolarHBondContact O-CB 3.36Å; C530-L533 PolarHBondContact O-N 2.83Å; C530-M534 WeakPolarHBondContact O-CB 3.41Å; C530-M534 PolarHBondContact O-N 3.09Å; C530-G597 WeakPolarHBondContact CB-O 2.95Å; C530-G597 PolarHBondContact SG-O 3.33Å; C530-Y598 WeakPolarHBondContact O-CD1 3.21Å
531Y92.1Very high90.9Very high28 Ų2836.3 Ų36.311%0.1118%0.184CC..Hα-helixtrans-75.9-28175.4-63.2-52.1000112.8F511 E528 M534 I535F511-Y531 AromaticContact CD2-CD1 3.56Å; F511-Y531 HydrophobicContact CD2-CD1 3.56Å; F511-Y531 HydrophobicContact CD2-CD2 4.06Å; F511-Y531 AromaticContact CD2-CE1 3.7Å; F511-Y531 HydrophobicContact CD2-CE1 3.7Å; F511-Y531 HydrophobicContact CD2-CE2 4.21Å; F511-Y531 AromaticContact CD2-CG 3.75Å; F511-Y531 HydrophobicContact CD2-CG 3.75Å; F511-Y531 AromaticContact CE2-CD1 3.98Å; F511-Y531 HydrophobicContact CE2-CD1 3.98Å; F511-Y531 AromaticContact CE2-CD2 3.62Å; F511-Y531 HydrophobicContact CE2-CD2 3.62Å; F511-Y531 HydrophobicContact CE2-CE1 4.24Å; F511-Y531 AromaticContact CE2-CE2 3.93Å; F511-Y531 HydrophobicContact CE2-CE2 3.93Å; F511-Y531 AromaticContact CE2-CG 3.66Å; F511-Y531 HydrophobicContact CE2-CG 3.66Å; E528-Y531 HydrophobicContact CB-CD2 3.97Å; E528-Y531 HydrophobicContact CG-CD2 4.44Å; E528-Y531 PolarHBondContact O-N 3.3Å; E528-Y531 VanDerWaalsContact O-N 3.16Å; E528-Y531 WeakPolarHBondContact OE2-CE2 3.22Å; Y531-M534 HydrophobicContact CD1-CE 4.09Å; Y531-M534 HydrophobicContact CD1-SD 3.85Å; Y531-M534 HydrophobicContact CE1-SD 4.36Å; Y531-M534 WeakPolarHBondContact O-CB 3.25Å; Y531-M534 PolarHBondContact O-N 3.46Å; Y531-I535 WeakPolarHBondContact O-CG1 3.49Å; Y531-I535 PolarHBondContact O-N 2.93Å
532R89.5Confident90.8Very high24 Ų2437 Ų379%0.09120%0.198CC..Hα-helixtrans-60.3-47.7167.7-70.7165.147.4155.27.6111.3L447 D448 I526 E528 P529 R536 D574 G575L447-R532 PolarHBondContact O-NH2 3.22Å; D448-R532 IonicContact OD1-CZ 2.67Å; D448-R532 IonicContact OD1-NE 2.67Å; D448-R532 PolarHBondContact OD1-NE 2.95Å; D448-R532 VanDerWaalsContact OD1-NE 3.13Å; D448-R532 IonicContact OD1-NH2 2.76Å; D448-R532 PolarHBondContact OD1-NH2 3.44Å; D448-R532 VanDerWaalsContact OD1-NH2 3.14Å; I526-R532 HydrophobicContact CG2-CG 4.13Å; E528-R532 WeakPolarHBondContact O-CG 3.48Å; E528-R532 PolarHBondContact O-N 3.43Å; P529-R532 WeakPolarHBondContact O-CB 3.47Å; P529-R532 PolarHBondContact O-N 2.99Å; R532-R536 WeakPolarHBondContact O-CB 3.42Å; R532-R536 PolarHBondContact O-N 3.06Å; R532-D574 PolarHBondContact NH1-O 3.38Å; R532-G575 WeakPolarHBondContact CD-O 3.37Å; R532-G575 VanDerWaalsContact CZ-C 3.46Å; R532-G575 PolarHBondContact NE-O 3.35Å; R532-G575 VanDerWaalsContact NE-O 3.11Å; R532-G575 VanDerWaalsContact NH1-C 3.31Å; R532-G575 PolarHBondContact NH1-O 3.47Å
533L88.7Confident90.8Very high6 Ų637.4 Ų37.43%0.03120%0.2CC..Hα-helixtrans-59.8-43.9172.7173.565.1000111.9P529 C530 R536 R537 D596 Y598P529-L533 PolarHBondContact O-N 2.78Å; C530-L533 WeakPolarHBondContact O-CB 3.36Å; C530-L533 PolarHBondContact O-N 2.83Å; L533-R536 PolarHBondContact O-N 3.33Å; L533-R537 HydrophobicContact CD1-CG 4.28Å; L533-R537 WeakPolarHBondContact O-CG 3.44Å; L533-R537 PolarHBondContact O-N 3.2Å; L533-D596 HydrophobicContact CD2-CB 3.79Å; L533-Y598 HydrophobicContact CD2-CE1 4.38Å; L533-Y598 HydrophobicContact CG-CE1 4.45Å
534M92.5Very high90.9Very high1 Ų137 Ų371%0.00519%0.194CC..Hα-helixtrans-58.6-52.9178.4-174.4-165.575.800111.9P509 F511 C530 Y531 R536 R537 C538 F546 Y598P509-M534 HydrophobicContact CB-CG 3.48Å; P509-M534 VanDerWaalsContact CB-CG 3.48Å; P509-M534 HydrophobicContact CB-SD 3.83Å; P509-M534 HydrophobicContact CG-CG 4.47Å; F511-M534 HydrophobicContact CB-CE 4.09Å; F511-M534 HydrophobicContact CD2-CE 4.15Å; F511-M534 HydrophobicContact CG-CE 4.48Å; C530-M534 WeakPolarHBondContact O-CB 3.41Å; C530-M534 PolarHBondContact O-N 3.09Å; Y531-M534 HydrophobicContact CD1-CE 4.09Å; Y531-M534 HydrophobicContact CD1-SD 3.85Å; Y531-M534 HydrophobicContact CE1-SD 4.36Å; Y531-M534 WeakPolarHBondContact O-CB 3.25Å; Y531-M534 PolarHBondContact O-N 3.46Å; M534-R536 VanDerWaalsContact C-N 3.34Å; M534-R536 PolarHBondContact O-N 3.46Å; M534-R537 PolarHBondContact O-N 3Å; M534-C538 PolarHBondContact O-N 3.28Å; M534-C538 PolarHBondContact O-SG 3.4Å; M534-F546 HydrophobicContact CE-CB 4.37Å; M534-F546 HydrophobicContact CE-CD2 3.86Å; M534-F546 HydrophobicContact CE-CE2 4.32Å; M534-F546 HydrophobicContact CE-CG 4.04Å; M534-Y598 HydrophobicContact CB-CD1 4Å; M534-Y598 HydrophobicContact CB-CD2 4.12Å; M534-Y598 HydrophobicContact CB-CE1 4.12Å; M534-Y598 HydrophobicContact CB-CE2 4.25Å; M534-Y598 HydrophobicContact CB-CG 4.02Å; M534-Y598 HydrophobicContact CG-CD2 3.78Å; M534-Y598 HydrophobicContact CG-CE2 3.84Å; M534-Y598 HydrophobicContact CG-CG 4.18Å; M534-Y598 HydrophobicContact SD-CD2 4.07Å; M534-Y598 HydrophobicContact SD-CG 4.48Å
535I92.4Very high91Very high1 Ų136.7 Ų36.71%0.00519%0.193CC..Hα-helixtrans-60.5-44.4179-67.3-64000110.8I526 Y531 R537 C538 M539 F546 I566 V569 V579I526-I535 HydrophobicContact CG1-CG1 4.24Å; Y531-I535 WeakPolarHBondContact O-CG1 3.49Å; Y531-I535 PolarHBondContact O-N 2.93Å; I535-R537 PolarHBondContact O-N 3.1Å; I535-C538 WeakPolarHBondContact O-CB 3.37Å; I535-C538 PolarHBondContact O-N 3.04Å; I535-C538 VanDerWaalsContact O-N 3.16Å; I535-M539 HydrophobicContact CG2-SD 4.38Å; I535-M539 WeakPolarHBondContact O-CG 3.49Å; I535-M539 PolarHBondContact O-N 3.39Å; I535-M539 VanDerWaalsContact O-N 3.15Å; I535-F546 HydrophobicContact CD1-CD1 3.83Å; I535-F546 HydrophobicContact CD1-CE1 3.51Å; I535-F546 HydrophobicContact CD1-CZ 3.96Å; I535-I566 HydrophobicContact CD1-CD1 4.1Å; I535-I566 HydrophobicContact CG2-CD1 4.16Å; I535-V569 HydrophobicContact CG2-CG2 4.41Å; I535-V579 HydrophobicContact CD1-CG1 4.31Å; I535-V579 HydrophobicContact CD1-CG2 4.33Å; I535-V579 HydrophobicContact CG1-CG2 4.25Å; I535-V579 HydrophobicContact CG2-CG2 4.05Å
536R87.8Confident91.2Very high12 Ų1232.6 Ų32.65%0.04517%0.174CC..Hα-helixtrans-59.1-44.7176.5174.1166.759.792.8-9.3112.1E444 R445 D448 R532 L533 M534 C538 M539 E540E444-R536 VanDerWaalsContact CB-CZ 3.47Å; E444-R536 WeakPolarHBondContact OE1-CD 3.35Å; E444-R536 IonicContact OE2-CZ 2.67Å; E444-R536 IonicContact OE2-NH1 2.73Å; E444-R536 PolarHBondContact OE2-NH1 3.27Å; R445-R536 VanDerWaalsContact N-NH2 3.18Å; D448-R536 IonicContact OD2-CZ 2.93Å; D448-R536 IonicContact OD2-NE 3.5Å; D448-R536 PolarHBondContact OD2-NE 2.96Å; D448-R536 IonicContact OD2-NH2 3.97Å; D448-R536 PolarHBondContact OD2-NH2 2.87Å; R532-R536 WeakPolarHBondContact O-CB 3.42Å; R532-R536 PolarHBondContact O-N 3.06Å; L533-R536 PolarHBondContact O-N 3.33Å; M534-R536 VanDerWaalsContact C-N 3.34Å; M534-R536 PolarHBondContact O-N 3.46Å; R536-C538 VanDerWaalsContact C-N 3.32Å; R536-C538 PolarHBondContact O-N 3.34Å; R536-M539 WeakPolarHBondContact O-CB 3.47Å; R536-M539 PolarHBondContact O-N 2.84Å; R536-M539 VanDerWaalsContact O-N 3.09Å; R536-E540 VanDerWaalsContact CD-OE1 3.3Å; R536-E540 WeakPolarHBondContact CD-OE1 3.39Å; R536-E540 HydrophobicContact CG-CG 4.15Å; R536-E540 WeakPolarHBondContact CG-OE1 3.35Å; R536-E540 IonicContact CZ-OE1 3.91Å; R536-E540 IonicContact NE-OE1 2.72Å; R536-E540 IonicContact NH1-OE1 2.91Å; R536-E540 PolarHBondContact NH1-OE1 3.45Å; R536-E540 WeakPolarHBondContact O-CG 3.2Å; R536-E540 PolarHBondContact O-N 2.99Å
537R89.6Confident91.4Very high36 Ų3632.5 Ų32.514%0.13617%0.174CC..Hα-helixtrans-61.3-36.4174.6-77.9176.3168.8170.4-1.7113.5L533 M534 I535 M539 E540 T541 D596 Y598L533-R537 HydrophobicContact CD1-CG 4.28Å; L533-R537 WeakPolarHBondContact O-CG 3.44Å; L533-R537 PolarHBondContact O-N 3.2Å; M534-R537 PolarHBondContact O-N 3Å; I535-R537 PolarHBondContact O-N 3.1Å; R537-M539 VanDerWaalsContact C-N 3.26Å; R537-M539 PolarHBondContact O-N 3.06Å; R537-E540 PolarHBondContact O-N 3.42Å; R537-T541 WeakPolarHBondContact O-CB 3.4Å; R537-T541 VanDerWaalsContact O-CG2 3.29Å; R537-T541 WeakPolarHBondContact O-CG2 3.48Å; R537-T541 PolarHBondContact O-N 2.93Å; R537-T541 PolarHBondContact O-OG1 2.83Å; R537-D596 IonicContact CZ-OD2 3.02Å; R537-D596 IonicContact NH1-OD2 2.67Å; R537-D596 PolarHBondContact NH1-OD2 2.89Å; R537-D596 IonicContact NH2-OD2 2.67Å; R537-D596 PolarHBondContact NH2-OD2 2.87Å; R537-Y598 WeakPolarHBondContact CD-OH 3.4Å; R537-Y598 PolarHBondContact NH1-OH 3.02Å
538C92.9Very high91.7Very high3 Ų327.1 Ų27.12%0.0215%0.15CC..Hα-helixtrans-62.2-37.6174.6-59.30000111.1M534 I535 R536 T541 T543 N544 C545 I566M534-C538 PolarHBondContact O-N 3.28Å; M534-C538 PolarHBondContact O-SG 3.4Å; I535-C538 WeakPolarHBondContact O-CB 3.37Å; I535-C538 PolarHBondContact O-N 3.04Å; I535-C538 VanDerWaalsContact O-N 3.16Å; R536-C538 VanDerWaalsContact C-N 3.32Å; R536-C538 PolarHBondContact O-N 3.34Å; C538-T541 PolarHBondContact O-OG1 2.99Å; C538-T543 PolarHBondContact O-N 3.12Å; C538-T543 PolarHBondContact O-OG1 2.8Å; C538-N544 WeakPolarHBondContact O-CA 3.42Å; C538-N544 PolarHBondContact O-N 3.35Å; C538-C545 PolarHBondContact SG-O 3.16Å; C538-C545 VanDerWaalsContact SG-O 3.4Å; C538-I566 HydrophobicContact CB-CD1 3.7Å
539M90.4Very high92Very high78 Ų7823.2 Ų23.238%0.38413%0.132SC..Hα-helixtrans-73.8-47.3175.4-60.4174.27400112.3I535 R536 R537 T541 G542 I566 V569 F571I535-M539 HydrophobicContact CG2-SD 4.38Å; I535-M539 WeakPolarHBondContact O-CG 3.49Å; I535-M539 PolarHBondContact O-N 3.39Å; I535-M539 VanDerWaalsContact O-N 3.15Å; R536-M539 WeakPolarHBondContact O-CB 3.47Å; R536-M539 PolarHBondContact O-N 2.84Å; R536-M539 VanDerWaalsContact O-N 3.09Å; R537-M539 VanDerWaalsContact C-N 3.26Å; R537-M539 PolarHBondContact O-N 3.06Å; M539-T541 VanDerWaalsContact C-N 3.33Å; M539-T541 PolarHBondContact O-N 3.39Å; M539-G542 PolarHBondContact O-N 3.44Å; M539-I566 HydrophobicContact CG-CD1 4.44Å; M539-V569 HydrophobicContact CE-CB 4.48Å; M539-V569 HydrophobicContact CE-CG2 4.19Å; M539-V569 HydrophobicContact SD-CB 4.35Å; M539-V569 HydrophobicContact SD-CG2 3.78Å; M539-F571 HydrophobicContact SD-CZ 4.48Å
540E86.9Confident92.3Very high61 Ų6122.6 Ų22.629%0.28513%0.126SC..Hα-helixtrans-60.5-39179.8-73.5177.1-15600112.5Q441 M498 R536 R537 G542Q441-E540 PolarHBondContact NE2-OE2 3.25Å; M498-E540 VanDerWaalsContact CE-C 3.5Å; M498-E540 HydrophobicContact CE-CB 3.88Å; M498-E540 WeakPolarHBondContact CE-O 3.32Å; R536-E540 VanDerWaalsContact CD-OE1 3.3Å; R536-E540 WeakPolarHBondContact CD-OE1 3.39Å; R536-E540 HydrophobicContact CG-CG 4.15Å; R536-E540 WeakPolarHBondContact CG-OE1 3.35Å; R536-E540 IonicContact CZ-OE1 3.91Å; R536-E540 IonicContact NE-OE1 2.72Å; R536-E540 IonicContact NH1-OE1 2.91Å; R536-E540 PolarHBondContact NH1-OE1 3.45Å; R536-E540 WeakPolarHBondContact O-CG 3.2Å; R536-E540 PolarHBondContact O-N 2.99Å; R537-E540 PolarHBondContact O-N 3.42Å; E540-G542 PolarHBondContact O-N 3.15Å
541T88.6Confident92.3Very high25 Ų2522.9 Ų22.915%0.15313%0.133CC..THydrogen-bonded Turntrans-75.2-6.5176.3550000113.7M498 L501 R537 C538 M539 T543M498-T541 HydrophobicContact CE-CG2 3.67Å; M498-T541 HydrophobicContact SD-CG2 4.32Å; L501-T541 HydrophobicContact CB-CG2 3.63Å; R537-T541 WeakPolarHBondContact O-CB 3.4Å; R537-T541 VanDerWaalsContact O-CG2 3.29Å; R537-T541 WeakPolarHBondContact O-CG2 3.48Å; R537-T541 PolarHBondContact O-N 2.93Å; R537-T541 PolarHBondContact O-OG1 2.83Å; C538-T541 PolarHBondContact O-OG1 2.99Å; M539-T541 VanDerWaalsContact C-N 3.33Å; M539-T541 PolarHBondContact O-N 3.39Å; T541-T543 PolarHBondContact O-N 3.09Å; T541-T543 VanDerWaalsContact O-N 3.09Å; T541-T543 PolarHBondContact OG1-OG1 2.75Å
542G90.8Very high92.1Very high51 Ų5123.4 Ų23.453%0.52614%0.138SC..SBendtrans69.5-4.4-174.800000115.1M539 E540 N544M539-G542 PolarHBondContact O-N 3.44Å; E540-G542 PolarHBondContact O-N 3.15Å; G542-N544 VanDerWaalsContact C-N 3.26Å; G542-N544 PolarHBondContact O-N 3.45Å; G542-N544 PolarHBondContact O-ND2 3.32Å
543T93.8Very high91.7Very high29 Ų2929 Ų2918%0.17817%0.17CC..  trans-64.2-34.4177.458.90000112.2S502 L504 C538 T541 C545S502-T543 VanDerWaalsContact O-CG2 3.29Å; S502-T543 WeakPolarHBondContact O-CG2 3.23Å; L504-T543 HydrophobicContact CD1-CG2 4.44Å; L504-T543 HydrophobicContact CD2-CG2 4.07Å; L504-T543 HydrophobicContact CG-CG2 4.1Å; C538-T543 PolarHBondContact O-N 3.12Å; C538-T543 PolarHBondContact O-OG1 2.8Å; T541-T543 PolarHBondContact O-N 3.09Å; T541-T543 VanDerWaalsContact O-N 3.09Å; T541-T543 PolarHBondContact OG1-OG1 2.75Å; T543-C545 PolarHBondContact O-N 3.38Å; T543-C545 PolarHBondContact O-SG 2.88Å
544N95.8Very high91.2Very high55 Ų5536.6 Ų36.629%0.29421%0.209SC..  trans48.826.8-173-63.9-69.8000113.1C538 G542 E565 I566C538-N544 WeakPolarHBondContact O-CA 3.42Å; C538-N544 PolarHBondContact O-N 3.35Å; G542-N544 VanDerWaalsContact C-N 3.26Å; G542-N544 PolarHBondContact O-N 3.45Å; G542-N544 PolarHBondContact O-ND2 3.32Å; N544-E565 CarbonylContact O-C 3.49Å; N544-E565 WeakPolarHBondContact O-CA 3.34Å; N544-I566 HydrophobicContact CB-CB 4.36Å; N544-I566 PolarHBondContact O-N 3.01Å
545C96.5Very high90.5Very high10 Ų1043.9 Ų43.97%0.06824%0.241CC..EExtended strand (participates in β ladder)trans-132.8141.3-171.2-72.90000112.8L504 C538 T543 L563 L564L504-C545 HydrophobicContact CD1-CB 4.06Å; L504-C545 HydrophobicContact CD2-CB 3.9Å; C538-C545 PolarHBondContact SG-O 3.16Å; C538-C545 VanDerWaalsContact SG-O 3.4Å; T543-C545 PolarHBondContact O-N 3.38Å; T543-C545 PolarHBondContact O-SG 2.88Å; C545-L563 HydrophobicContact CB-CD1 4.2Å; C545-L563 HydrophobicContact CB-CD2 4.09Å; C545-L563 HydrophobicContact CB-CG 4.12Å; C545-L564 VanDerWaalsContact CA-O 3.24Å; C545-L564 WeakPolarHBondContact CA-O 3.49Å
546F97.2Very high90.1Very high0 Ų046 Ų460%026%0.263CS..EExtended strand (participates in β ladder)trans-145.3155.1170.363.9-82.3000110.5P509 F511 L524 M534 I535 L564 I566 T581P509-F546 HydrophobicContact CB-CB 4.15Å; P509-F546 HydrophobicContact CG-CB 3.81Å; F511-F546 HydrophobicContact CB-CD2 3.77Å; F511-F546 HydrophobicContact CB-CE2 3.7Å; F511-F546 HydrophobicContact CG-CE2 4.27Å; L524-F546 HydrophobicContact CD1-CE2 4.05Å; L524-F546 HydrophobicContact CD1-CZ 3.71Å; M534-F546 HydrophobicContact CE-CB 4.37Å; M534-F546 HydrophobicContact CE-CD2 3.86Å; M534-F546 HydrophobicContact CE-CE2 4.32Å; M534-F546 HydrophobicContact CE-CG 4.04Å; I535-F546 HydrophobicContact CD1-CD1 3.83Å; I535-F546 HydrophobicContact CD1-CE1 3.51Å; I535-F546 HydrophobicContact CD1-CZ 3.96Å; F546-L564 HydrophobicContact CE1-CB 4.21Å; F546-L564 HydrophobicContact CE2-CB 4.29Å; F546-L564 HydrophobicContact CE2-CD1 3.77Å; F546-L564 HydrophobicContact CZ-CB 4.02Å; F546-L564 HydrophobicContact CZ-CD1 3.79Å; F546-L564 PolarHBondContact N-O 3.23Å; F546-L564 PolarHBondContact O-N 2.83Å; F546-I566 HydrophobicContact CD1-CD1 4.12Å; F546-I566 HydrophobicContact CD1-CG1 4.06Å; F546-I566 HydrophobicContact CE1-CD1 4.18Å; F546-I566 HydrophobicContact CE1-CG1 3.76Å; F546-T581 HydrophobicContact CE1-CG2 3.97Å; F546-T581 HydrophobicContact CZ-CG2 3.99Å
547G96.9Very high90.1Very high0 Ų045.6 Ų45.60%026%0.261CS..EExtended strand (participates in β ladder)trans-82.3143.8174.700000111.8P509 I510 F511P509-G547 PolarHBondContact O-N 3.44Å; I510-G547 CarbonylContact C-O 3.58Å; I510-G547 WeakPolarHBondContact CA-O 3.35Å; F511-G547 PolarHBondContact N-O 3.11Å
548M96.7Very high90.2Very high1 Ų144.3 Ų44.31%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-118.9132167.6-165.6167.981.200111.2F511 C513 T514 A516 L524 G561 C562 L564F511-M548 HydrophobicContact CB-CG 4.39Å; F511-M548 HydrophobicContact CD1-CG 4.11Å; F511-M548 HydrophobicContact CD1-SD 3.79Å; F511-M548 HydrophobicContact CE1-SD 4.42Å; F511-M548 WeakPolarHBondContact O-CA 3.27Å; F511-M548 WeakPolarHBondContact O-CG 3.46Å; C513-M548 HydrophobicContact CB-SD 4.44Å; T514-M548 WeakPolarHBondContact O-CE 3.45Å; T514-M548 WeakPolarHBondContact OG1-CE 3.45Å; A516-M548 HydrophobicContact CB-CB 4.37Å; A516-M548 HydrophobicContact CB-CE 3.46Å; A516-M548 VanDerWaalsContact CB-CE 3.46Å; L524-M548 HydrophobicContact CD1-SD 4.31Å; L524-M548 HydrophobicContact CD2-SD 4.25Å; M548-G561 VanDerWaalsContact O-CA 3.3Å; M548-G561 WeakPolarHBondContact O-CA 3.28Å; M548-C562 PolarHBondContact N-O 3.13Å; M548-C562 PolarHBondContact O-N 2.93Å; M548-C562 VanDerWaalsContact O-N 3.1Å; M548-L564 HydrophobicContact CB-CD1 3.69Å; M548-L564 HydrophobicContact CB-CG 4.14Å; M548-L564 HydrophobicContact CE-CD1 4.2Å; M548-L564 HydrophobicContact CG-CD1 4.35Å; M548-L564 HydrophobicContact SD-CD1 3.81Å
549C95.3Very high90.3Very high2 Ų245.7 Ų45.71%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-129.2154.5-179.9-66.20000110.9I510 F511 V512 C513 F557I510-C549 HydrophobicContact CG2-CB 4.06Å; F511-C549 PolarHBondContact O-N 3.3Å; V512-C549 WeakPolarHBondContact CA-O 3.19Å; C513-C549 PolarHBondContact N-O 3.36Å; C549-F557 HydrophobicContact CB-CB 4.01Å; C549-F557 HydrophobicContact CB-CD2 3.92Å; C549-F557 HydrophobicContact CB-CG 4.29Å
550L93.8Very high90.5Very high29 Ų2945.6 Ų45.615%0.15227%0.268CS..EExtended strand (participates in β ladder)trans-75.5144.9167.5-169.370.2000110.3M515 F557 V558 R681M515-L550 HydrophobicContact SD-CB 3.87Å; M515-L550 HydrophobicContact SD-CD2 4.35Å; L550-F557 WeakPolarHBondContact O-CA 3.49Å; L550-F557 WeakPolarHBondContact O-CB 3.38Å; L550-V558 HydrophobicContact CB-CG1 4.24Å; L550-V558 HydrophobicContact CB-CG2 3.81Å; L550-V558 WeakPolarHBondContact O-CG2 3.44Å; L550-V558 PolarHBondContact O-N 3.44Å; L550-R681 HydrophobicContact CD2-CG 4.12Å
551G90.6Very high91Very high29 Ų2942.7 Ų42.730%0.29926%0.255SS..EExtended strand (participates in β ladder)trans-65.2149.8173.200000113.3G556G551-G556 WeakPolarHBondContact CA-O 3.46Å
552D87.7Confident91.4Very high39 Ų3941.5 Ų41.521%0.20925%0.248CC..EExtended strand (participates in β ladder)trans-137.4126.2175-177.2-89.6000109.9L554 K555 G556 V558D552-L554 PolarHBondContact O-N 3.18Å; D552-L554 VanDerWaalsContact O-N 3.12Å; D552-L554 PolarHBondContact OD1-N 3.16Å; D552-K555 HydrophobicContact CB-CB 4.47Å; D552-K555 PolarHBondContact O-N 3.48Å; D552-K555 PolarHBondContact OD1-N 2.8Å; D552-G556 PolarHBondContact N-O 2.87Å; D552-G556 CarbonylContact O-C 3.31Å; D552-G556 VanDerWaalsContact O-C 3.31Å; D552-G556 VanDerWaalsContact O-CA 3.23Å; D552-G556 WeakPolarHBondContact O-CA 3.47Å; D552-G556 PolarHBondContact O-N 2.87Å; D552-V558 HydrophobicContact CB-CG1 4.08Å
553D81.1Confident91.7Very high141 Ų14139.2 Ų39.275%0.75422%0.223SC*.THydrogen-bonded Turntrans-67.2-16.9-170.2-45.3-70.6000113.7R681D553-R681 IonicContact OD2-CZ 3.95Å; D553-R681 IonicContact OD2-NH2 2.78Å; D553-R681 PolarHBondContact OD2-NH2 2.79Å
554L78.8Confident91.9Very high165 Ų16537.8 Ų37.886%0.86422%0.215SC*.THydrogen-bonded Turntrans-106.9-30.4-176.7-62.1174.3000112.8D552D552-L554 PolarHBondContact O-N 3.18Å; D552-L554 VanDerWaalsContact O-N 3.12Å; D552-L554 PolarHBondContact OD1-N 3.16Å
555K76.1Confident92Very high155 Ų15537.8 Ų37.867%0.67421%0.213SC*.THydrogen-bonded Turntrans-1161-174.9-62-178.2-179178.60114D552 F557D552-K555 HydrophobicContact CB-CB 4.47Å; D552-K555 PolarHBondContact O-N 3.48Å; D552-K555 PolarHBondContact OD1-N 2.8Å; K555-F557 PolarHBondContact O-N 3.03Å; K555-F557 VanDerWaalsContact O-N 3.08Å
556G83.9Confident92Very high45 Ų4537.9 Ų37.946%0.46421%0.213SC..EExtended strand (participates in β ladder)trans81.5-52.8-171.200000111.9G551 D552G551-G556 WeakPolarHBondContact CA-O 3.46Å; D552-G556 PolarHBondContact N-O 2.87Å; D552-G556 CarbonylContact O-C 3.31Å; D552-G556 VanDerWaalsContact O-C 3.31Å; D552-G556 VanDerWaalsContact O-CA 3.23Å; D552-G556 WeakPolarHBondContact O-CA 3.47Å; D552-G556 PolarHBondContact O-N 2.87Å
557F89.8Confident91.9Very high3 Ų344.1 Ų44.11%0.01324%0.236CC..EExtended strand (participates in β ladder)trans-146.8162.7175.556.6-88.1000113.6I510 V512 C549 L550 K555 I589 H592 N599I510-F557 HydrophobicContact CB-CZ 4.38Å; I510-F557 HydrophobicContact CG1-CE2 4.33Å; I510-F557 HydrophobicContact CG1-CZ 4.24Å; I510-F557 HydrophobicContact CG2-CD2 4.15Å; I510-F557 HydrophobicContact CG2-CE1 4.46Å; I510-F557 HydrophobicContact CG2-CE2 4Å; I510-F557 HydrophobicContact CG2-CG 4.43Å; I510-F557 HydrophobicContact CG2-CZ 4.15Å; V512-F557 HydrophobicContact CG1-CB 3.98Å; V512-F557 HydrophobicContact CG2-CB 3.8Å; V512-F557 HydrophobicContact CG2-CD1 3.72Å; V512-F557 HydrophobicContact CG2-CG 3.94Å; C549-F557 HydrophobicContact CB-CB 4.01Å; C549-F557 HydrophobicContact CB-CD2 3.92Å; C549-F557 HydrophobicContact CB-CG 4.29Å; L550-F557 WeakPolarHBondContact O-CA 3.49Å; L550-F557 WeakPolarHBondContact O-CB 3.38Å; K555-F557 PolarHBondContact O-N 3.03Å; K555-F557 VanDerWaalsContact O-N 3.08Å; F557-I589 HydrophobicContact CD2-CG1 4.38Å; F557-I589 HydrophobicContact CE2-CD1 3.79Å; F557-I589 HydrophobicContact CE2-CG1 3.93Å; F557-I589 HydrophobicContact CE2-CG2 4.39Å; F557-H592 AromaticContact CE1-CD2 3.68Å; F557-H592 AromaticContact CE2-CD2 3.55Å; F557-H592 AromaticContact CE2-NE2 3.74Å; F557-H592 HydrophobicContact CZ-CB 4.48Å; F557-H592 AromaticContact CZ-CD2 3.33Å; F557-H592 WeakPolarHBondContact CZ-CD2 3.5Å; F557-N599 HydrophobicContact CD1-CB 4.37Å; F557-N599 HydrophobicContact CE1-CB 3.69Å; F557-N599 HydrophobicContact CZ-CB 4.34Å
558V91.5Very high91.8Very high10 Ų1047.8 Ų47.86%0.06126%0.256CS..  trans-75.3151.9-177.1-58.80000112.5L550 D552 Y560 L684L550-V558 HydrophobicContact CB-CG1 4.24Å; L550-V558 HydrophobicContact CB-CG2 3.81Å; L550-V558 WeakPolarHBondContact O-CG2 3.44Å; L550-V558 PolarHBondContact O-N 3.44Å; D552-V558 HydrophobicContact CB-CG1 4.08Å; V558-Y560 WeakPolarHBondContact CG2-O 3.29Å; V558-Y560 PolarHBondContact O-N 2.78Å; V558-L684 HydrophobicContact CB-CD1 4.32Å; V558-L684 HydrophobicContact CB-CD2 3.81Å; V558-L684 HydrophobicContact CG1-CD2 3.94Å; V558-L684 HydrophobicContact CG2-CD1 3.7Å; V558-L684 HydrophobicContact CG2-CD2 4.06Å
559G93.6Very high91.6Very high31 Ų3148.6 Ų48.632%0.3226%0.261SS..SBendtrans-73.27.5-173.500000117.1K588 I589G559-K588 WeakPolarHBondContact O-CA 3.34Å; G559-I589 PolarHBondContact O-N 3.4Å
560Y95.9Very high91.3Very high76 Ų7654.6 Ų54.630%0.29829%0.286SS..EExtended strand (participates in β ladder)trans-141.2141.3178.3-64.5-87.9000110.5V558 F587 K588 L606 A688V558-Y560 WeakPolarHBondContact CG2-O 3.29Å; V558-Y560 PolarHBondContact O-N 2.78Å; Y560-F587 WeakPolarHBondContact CA-O 2.96Å; Y560-K588 HydrophobicContact CD1-CB 3.82Å; Y560-K588 HydrophobicContact CD1-CG 4.08Å; Y560-K588 HydrophobicContact CE1-CB 3.68Å; Y560-K588 HydrophobicContact CE1-CD 3.92Å; Y560-K588 HydrophobicContact CE1-CG 3.63Å; Y560-L606 HydrophobicContact CD1-CD1 3.7Å; Y560-L606 HydrophobicContact CE1-CD1 3.83Å; Y560-A688 HydrophobicContact CD1-CB 3.77Å; Y560-A688 HydrophobicContact CD2-CB 3.92Å; Y560-A688 HydrophobicContact CE1-CB 3.77Å; Y560-A688 HydrophobicContact CE2-CB 3.94Å; Y560-A688 HydrophobicContact CG-CB 3.85Å
561G96.6Very high90.8Very high1 Ų157 Ų571%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-153.9-177.7-177.500000113.2M548 R586 F587M548-G561 VanDerWaalsContact O-CA 3.3Å; M548-G561 WeakPolarHBondContact O-CA 3.28Å; G561-R586 WeakPolarHBondContact O-CA 3.35Å; G561-F587 PolarHBondContact N-O 3.03Å; G561-F587 PolarHBondContact O-N 2.83Å
562C97.1Very high90.4Very high0 Ų060.1 Ų60.10%030%0.301CS..EExtended strand (participates in β ladder)trans-123.2133.1176.3-171.20000110.2A516 M548 L564 R585A516-C562 HydrophobicContact CB-CB 3.85Å; A516-C562 WeakPolarHBondContact O-CB 3.12Å; M548-C562 PolarHBondContact N-O 3.13Å; M548-C562 PolarHBondContact O-N 2.93Å; M548-C562 VanDerWaalsContact O-N 3.1Å; C562-L564 PolarHBondContact O-N 3.39Å; C562-R585 CarbonylContact C-O 3.58Å; C562-R585 WeakPolarHBondContact CA-O 3.34Å; C562-R585 PolarHBondContact SG-O 2.79Å
563L97.3Very high89.7Confident2 Ų262.1 Ų62.11%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-73.6116.9171.8-167.880.5000108.2V508 C545 R584 R585 F587 Y605V508-L563 HydrophobicContact CG1-CD1 4.09Å; C545-L563 HydrophobicContact CB-CD1 4.2Å; C545-L563 HydrophobicContact CB-CD2 4.09Å; C545-L563 HydrophobicContact CB-CG 4.12Å; L563-R584 PolarHBondContact O-N 3.18Å; L563-R585 HydrophobicContact CB-CB 4.45Å; L563-R585 PolarHBondContact N-O 2.93Å; L563-F587 HydrophobicContact CB-CD1 4.26Å; L563-F587 HydrophobicContact CB-CE1 4.34Å; L563-Y605 HydrophobicContact CB-CE1 4.45Å; L563-Y605 HydrophobicContact CD2-CE1 4.23Å
564L97.8Very high89.4Confident0 Ų058.9 Ų58.90%030%0.301CS..EExtended strand (participates in β ladder)trans-90.8138172.8-64.8-179.7000109.6A516 C522 L524 C545 F546 M548 C562 I582A516-L564 HydrophobicContact CB-CD1 4.48Å; A516-L564 HydrophobicContact CB-CD2 3.64Å; A516-L564 HydrophobicContact CB-CG 4.25Å; C522-L564 HydrophobicContact CB-CD1 4.5Å; C522-L564 HydrophobicContact CB-CD2 4.28Å; L524-L564 HydrophobicContact CD1-CD1 4.17Å; C545-L564 VanDerWaalsContact CA-O 3.24Å; C545-L564 WeakPolarHBondContact CA-O 3.49Å; F546-L564 HydrophobicContact CE1-CB 4.21Å; F546-L564 HydrophobicContact CE2-CB 4.29Å; F546-L564 HydrophobicContact CE2-CD1 3.77Å; F546-L564 HydrophobicContact CZ-CB 4.02Å; F546-L564 HydrophobicContact CZ-CD1 3.79Å; F546-L564 PolarHBondContact N-O 3.23Å; F546-L564 PolarHBondContact O-N 2.83Å; M548-L564 HydrophobicContact CB-CD1 3.69Å; M548-L564 HydrophobicContact CB-CG 4.14Å; M548-L564 HydrophobicContact CE-CD1 4.2Å; M548-L564 HydrophobicContact CG-CD1 4.35Å; M548-L564 HydrophobicContact SD-CD1 3.81Å; C562-L564 PolarHBondContact O-N 3.39Å; L564-I582 WeakPolarHBondContact CA-O 3.44Å
565E97.4Very high89Confident55 Ų5551.3 Ų51.326%0.25726%0.263SS..EExtended strand (participates in β ladder)trans-104130.7168.9-178.7-170104.900109.5N544 T581 I582 R584N544-E565 CarbonylContact O-C 3.49Å; N544-E565 WeakPolarHBondContact O-CA 3.34Å; E565-T581 CarbonylContact O-C 3.49Å; E565-T581 WeakPolarHBondContact O-CA 3.46Å; E565-T581 WeakPolarHBondContact O-CB 3.44Å; E565-I582 HydrophobicContact CB-CG2 4.35Å; E565-I582 PolarHBondContact N-O 2.77Å; E565-I582 PolarHBondContact O-N 2.95Å; E565-R584 HydrophobicContact CB-CG 3.67Å; E565-R584 VanDerWaalsContact CD-NE 3.28Å; E565-R584 IonicContact OE1-CZ 2.66Å; E565-R584 IonicContact OE1-NE 3.43Å; E565-R584 PolarHBondContact OE1-NE 2.84Å; E565-R584 IonicContact OE1-NH2 3.48Å; E565-R584 PolarHBondContact OE1-NH2 3.03Å; E565-R584 IonicContact OE2-CZ 3.67Å; E565-R584 IonicContact OE2-NE 2.77Å; E565-R584 PolarHBondContact OE2-NE 3.27Å; E565-R584 IonicContact OE2-NH2 3.99Å; E565-R584 PolarHBondContact OE2-NH2 3.14Å
566I97.3Very high89.5Confident12 Ų1248.9 Ų48.96%0.06225%0.25CC..EExtended strand (participates in β ladder)trans-75.7127.8175.5-59.7163.5000109.1I535 C538 M539 N544 F546 V569 V579 T581I535-I566 HydrophobicContact CD1-CD1 4.1Å; I535-I566 HydrophobicContact CG2-CD1 4.16Å; C538-I566 HydrophobicContact CB-CD1 3.7Å; M539-I566 HydrophobicContact CG-CD1 4.44Å; N544-I566 HydrophobicContact CB-CB 4.36Å; N544-I566 PolarHBondContact O-N 3.01Å; F546-I566 HydrophobicContact CD1-CD1 4.12Å; F546-I566 HydrophobicContact CD1-CG1 4.06Å; F546-I566 HydrophobicContact CE1-CD1 4.18Å; F546-I566 HydrophobicContact CE1-CG1 3.76Å; I566-V569 HydrophobicContact CG2-CG2 3.49Å; I566-V569 VanDerWaalsContact CG2-CG2 3.49Å; I566-V579 HydrophobicContact CB-CG1 4.46Å; I566-V579 HydrophobicContact CG1-CG1 4Å; I566-V579 HydrophobicContact CG2-CG1 3.93Å; I566-T581 HydrophobicContact CG1-CG2 4.41Å
567R95.3Very high89.7Confident130 Ų13046.8 Ų46.849%0.49123%0.228SC..EExtended strand (participates in β ladder)trans-104.4-43.1178.8-71175.1155.7-174.3-7.6113.2D580 I582R567-D580 HydrophobicContact CB-CB 4.37Å; R567-D580 WeakPolarHBondContact CB-OD2 3.32Å; R567-D580 VanDerWaalsContact CD-OD2 3.27Å; R567-D580 WeakPolarHBondContact CD-OD2 3.38Å; R567-D580 PolarHBondContact N-O 2.99Å; R567-I582 HydrophobicContact CG-CG2 4.36Å
568D93.9Very high89.9Confident77 Ų7749.2 Ų49.241%0.41224%0.243SC..EExtended strand (participates in β ladder)trans-150.6150-178.2-17728.4000109.4K570 D580D568-K570 WeakPolarHBondContact OD2-CE 3.21Å; D568-K570 IonicContact OD2-NZ 2.71Å; D568-D580 HydrophobicContact CB-CB 4.26Å; D568-D580 PolarHBondContact O-N 3.25Å
569V91.8Very high90.1Very high18 Ų1848.8 Ų48.811%0.10924%0.24CC..EExtended strand (participates in β ladder)trans-137.6119.2177.1-172.40000110.4I535 M539 I566 F571 V578 V579I535-V569 HydrophobicContact CG2-CG2 4.41Å; M539-V569 HydrophobicContact CE-CB 4.48Å; M539-V569 HydrophobicContact CE-CG2 4.19Å; M539-V569 HydrophobicContact SD-CB 4.35Å; M539-V569 HydrophobicContact SD-CG2 3.78Å; I566-V569 HydrophobicContact CG2-CG2 3.49Å; I566-V569 VanDerWaalsContact CG2-CG2 3.49Å; V569-F571 HydrophobicContact CB-CE2 4.08Å; V569-F571 HydrophobicContact CB-CZ 4.13Å; V569-F571 HydrophobicContact CG1-CD1 4.29Å; V569-F571 HydrophobicContact CG1-CD2 4.23Å; V569-F571 HydrophobicContact CG1-CE1 3.75Å; V569-F571 HydrophobicContact CG1-CE2 3.68Å; V569-F571 HydrophobicContact CG1-CZ 3.42Å; V569-F571 VanDerWaalsContact CG1-CZ 3.42Å; V569-V578 WeakPolarHBondContact CA-O 3.38Å; V569-V579 HydrophobicContact CG1-CG2 4.18Å; V569-V579 HydrophobicContact CG2-CG1 4.15Å; V569-V579 HydrophobicContact CG2-CG2 4.43Å
570K89.6Confident90.1Very high128 Ų12849.8 Ų49.856%0.55724%0.238SC*.EExtended strand (participates in β ladder)trans-105.8114.7177-62.3-178.9-172175.90109.2D568 S577 V578D568-K570 WeakPolarHBondContact OD2-CE 3.21Å; D568-K570 IonicContact OD2-NZ 2.71Å; K570-S577 CarbonylContact O-C 3.25Å; K570-S577 WeakPolarHBondContact O-CA 3.24Å; K570-S577 WeakPolarHBondContact O-CB 3.29Å; K570-V578 PolarHBondContact N-O 2.83Å; K570-V578 PolarHBondContact O-N 3.3Å
571F83.7Confident90.2Very high79 Ų7946.1 Ų46.135%0.34622%0.224SC..EExtended strand (participates in β ladder)trans-91.2146.6179.2-60.3-82.5000111.5M539 V569M539-F571 HydrophobicContact SD-CZ 4.48Å; V569-F571 HydrophobicContact CB-CE2 4.08Å; V569-F571 HydrophobicContact CB-CZ 4.13Å; V569-F571 HydrophobicContact CG1-CD1 4.29Å; V569-F571 HydrophobicContact CG1-CD2 4.23Å; V569-F571 HydrophobicContact CG1-CE1 3.75Å; V569-F571 HydrophobicContact CG1-CE2 3.68Å; V569-F571 HydrophobicContact CG1-CZ 3.42Å; V569-F571 VanDerWaalsContact CG1-CZ 3.42Å
572F83Confident90.2Very high95 Ų9546.8 Ų46.842%0.41723%0.227SC..  trans-109.5167.8173.9-59.6-78.2000111.2D574 G575 R576 V578F572-D574 VanDerWaalsContact C-N 3.32Å; F572-D574 PolarHBondContact O-N 3.43Å; F572-G575 WeakPolarHBondContact O-CA 3.45Å; F572-G575 PolarHBondContact O-N 2.97Å; F572-R576 HydrophobicContact CB-CB 4.48Å; F572-R576 HydrophobicContact CD2-CB 4.08Å; F572-R576 WeakPolarHBondContact CD2-O 3.3Å; F572-R576 PolarHBondContact N-O 3.25Å; F572-V578 HydrophobicContact CE2-CB 4.38Å; F572-V578 HydrophobicContact CE2-CG2 3.93Å; F572-V578 HydrophobicContact CZ-CG2 4.22Å
573S72.2Confident90.1Very high81 Ų8146.8 Ų46.857%0.56623%0.228SC*.THydrogen-bonded Turntrans-72.9-18.2-174.151.90000115.9
574D73.9Confident90Very high73 Ų7351.6 Ų51.639%0.3925%0.246SC..THydrogen-bonded Turntrans-84.51.8166.851.331.7000112.7R532 F572 R576R532-D574 PolarHBondContact NH1-O 3.38Å; F572-D574 VanDerWaalsContact C-N 3.32Å; F572-D574 PolarHBondContact O-N 3.43Å; D574-R576 VanDerWaalsContact C-N 3.29Å; D574-R576 PolarHBondContact O-N 3.25Å; D574-R576 VanDerWaalsContact OD1-CB 3.26Å; D574-R576 WeakPolarHBondContact OD1-CB 3.16Å; D574-R576 VanDerWaalsContact OD1-CG 3.23Å; D574-R576 WeakPolarHBondContact OD1-CG 3.46Å; D574-R576 PolarHBondContact OD1-N 2.73Å; D574-R576 IonicContact OD1-NE 2.72Å; D574-R576 PolarHBondContact OD1-NE 3.36Å; D574-R576 VanDerWaalsContact OD1-NE 3.17Å; D574-R576 IonicContact OD2-CZ 2.79Å; D574-R576 IonicContact OD2-NE 3.7Å; D574-R576 PolarHBondContact OD2-NE 2.94Å; D574-R576 IonicContact OD2-NH2 3.31Å; D574-R576 PolarHBondContact OD2-NH2 3.45Å
575G72.1Confident89.9Confident7 Ų755.9 Ų55.97%0.07226%0.262CS..SBendtrans77.45.9-17900000114.8R532 F572R532-G575 WeakPolarHBondContact CD-O 3.37Å; R532-G575 VanDerWaalsContact CZ-C 3.46Å; R532-G575 PolarHBondContact NE-O 3.35Å; R532-G575 VanDerWaalsContact NE-O 3.11Å; R532-G575 VanDerWaalsContact NH1-C 3.31Å; R532-G575 PolarHBondContact NH1-O 3.47Å; F572-G575 WeakPolarHBondContact O-CA 3.45Å; F572-G575 PolarHBondContact O-N 2.97Å
576R84.9Confident89.8Confident103 Ų10353.2 Ų53.239%0.38925%0.249SC..  trans-61.4160.8163.9-63.2-176.1-73170.7-11.8109.9I526 F527 F572 D574I526-R576 CarbonylContact O-C 3.56Å; I526-R576 WeakPolarHBondContact O-CA 3.41Å; F527-R576 HydrophobicContact CB-CG 3.74Å; F572-R576 HydrophobicContact CB-CB 4.48Å; F572-R576 HydrophobicContact CD2-CB 4.08Å; F572-R576 WeakPolarHBondContact CD2-O 3.3Å; F572-R576 PolarHBondContact N-O 3.25Å; D574-R576 VanDerWaalsContact C-N 3.29Å; D574-R576 PolarHBondContact O-N 3.25Å; D574-R576 VanDerWaalsContact OD1-CB 3.26Å; D574-R576 WeakPolarHBondContact OD1-CB 3.16Å; D574-R576 VanDerWaalsContact OD1-CG 3.23Å; D574-R576 WeakPolarHBondContact OD1-CG 3.46Å; D574-R576 PolarHBondContact OD1-N 2.73Å; D574-R576 IonicContact OD1-NE 2.72Å; D574-R576 PolarHBondContact OD1-NE 3.36Å; D574-R576 VanDerWaalsContact OD1-NE 3.17Å; D574-R576 IonicContact OD2-CZ 2.79Å; D574-R576 IonicContact OD2-NE 3.7Å; D574-R576 PolarHBondContact OD2-NE 2.94Å; D574-R576 IonicContact OD2-NH2 3.31Å; D574-R576 PolarHBondContact OD2-NH2 3.45Å
577S88.8Confident89.8Confident2 Ų252.7 Ų52.71%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-140.1152.9171.4600000113.2H525 I526 K570H525-S577 CarbonylContact C-O 3.49Å; H525-S577 WeakPolarHBondContact CA-O 3.42Å; I526-S577 PolarHBondContact N-O 2.81Å; I526-S577 PolarHBondContact O-N 3.11Å; K570-S577 CarbonylContact O-C 3.25Å; K570-S577 WeakPolarHBondContact O-CA 3.24Å; K570-S577 WeakPolarHBondContact O-CB 3.29Å
578V93.6Very high89.9Confident54 Ų5449.6 Ų49.633%0.32724%0.237SC..EExtended strand (participates in β ladder)trans-103.1123.8159.9164.20000107.5L524 H525 V569 K570 F572L524-V578 CarbonylContact O-C 3.53Å; L524-V578 WeakPolarHBondContact O-CA 3.38Å; H525-V578 HydrophobicContact CB-CG2 4.47Å; V569-V578 WeakPolarHBondContact CA-O 3.38Å; K570-V578 PolarHBondContact N-O 2.83Å; K570-V578 PolarHBondContact O-N 3.3Å; F572-V578 HydrophobicContact CE2-CB 4.38Å; F572-V578 HydrophobicContact CE2-CG2 3.93Å; F572-V578 HydrophobicContact CZ-CG2 4.22Å
579V95.3Very high90Very high0 Ų046.6 Ų46.60%022%0.221CC..EExtended strand (participates in β ladder)trans-110.2116.4-178.5-174.50000107.3P523 L524 I526 I535 I566 V569 T581P523-V579 WeakPolarHBondContact CA-O 3.29Å; L524-V579 PolarHBondContact N-O 3.31Å; L524-V579 PolarHBondContact O-N 2.97Å; I526-V579 HydrophobicContact CG1-CG2 3.72Å; I535-V579 HydrophobicContact CD1-CG1 4.31Å; I535-V579 HydrophobicContact CD1-CG2 4.33Å; I535-V579 HydrophobicContact CG1-CG2 4.25Å; I535-V579 HydrophobicContact CG2-CG2 4.05Å; I566-V579 HydrophobicContact CB-CG1 4.46Å; I566-V579 HydrophobicContact CG1-CG1 4Å; I566-V579 HydrophobicContact CG2-CG1 3.93Å; V569-V579 HydrophobicContact CG1-CG2 4.18Å; V569-V579 HydrophobicContact CG2-CG1 4.15Å; V569-V579 HydrophobicContact CG2-CG2 4.43Å; V579-T581 HydrophobicContact CB-CG2 4.38Å; V579-T581 HydrophobicContact CG1-CG2 3.52Å
580D95.3Very high90.1Very high52 Ų5251 Ų5128%0.27824%0.241SC..EExtended strand (participates in β ladder)trans-80.9129.5167.2-176.942.6000109.1R567 D568R567-D580 HydrophobicContact CB-CB 4.37Å; R567-D580 WeakPolarHBondContact CB-OD2 3.32Å; R567-D580 VanDerWaalsContact CD-OD2 3.27Å; R567-D580 WeakPolarHBondContact CD-OD2 3.38Å; R567-D580 PolarHBondContact N-O 2.99Å; D568-D580 HydrophobicContact CB-CB 4.26Å; D568-D580 PolarHBondContact O-N 3.25Å
581T96.9Very high90.3Very high0 Ų049.4 Ų49.40%024%0.236CC..EExtended strand (participates in β ladder)trans-138.1160.8-179.779.40000112.5P521 C522 F546 E565 I566 V579P521-T581 CarbonylContact C-O 3.48Å; P521-T581 WeakPolarHBondContact CA-O 3.37Å; C522-T581 PolarHBondContact N-O 3.14Å; C522-T581 PolarHBondContact O-N 2.91Å; C522-T581 PolarHBondContact O-OG1 3.36Å; F546-T581 HydrophobicContact CE1-CG2 3.97Å; F546-T581 HydrophobicContact CZ-CG2 3.99Å; E565-T581 CarbonylContact O-C 3.49Å; E565-T581 WeakPolarHBondContact O-CA 3.46Å; E565-T581 WeakPolarHBondContact O-CB 3.44Å; I566-T581 HydrophobicContact CG1-CG2 4.41Å; V579-T581 HydrophobicContact CB-CG2 4.38Å; V579-T581 HydrophobicContact CG1-CG2 3.52Å
582I96.1Very high90.7Very high14 Ų1449.5 Ų49.57%0.07224%0.237CC..EExtended strand (participates in β ladder)trans-134.3138.9170.4-172.7166.7000111.1T519 L564 E565 R567T519-I582 WeakPolarHBondContact O-CD1 3.32Å; L564-I582 WeakPolarHBondContact CA-O 3.44Å; E565-I582 HydrophobicContact CB-CG2 4.35Å; E565-I582 PolarHBondContact N-O 2.77Å; E565-I582 PolarHBondContact O-N 2.95Å; R567-I582 HydrophobicContact CG-CG2 4.36Å
583G96.4Very high91.1Very high1 Ų150.1 Ų50.11%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-65.8138.1172.300000112.7F517 T519 V520F517-G583 WeakPolarHBondContact O-CA 3.38Å; T519-G583 PolarHBondContact N-O 3Å; V520-G583 PolarHBondContact O-N 3.35Å; V520-G583 VanDerWaalsContact O-N 3.08Å
584R95.3Very high92Very high103 Ų10353 Ų5339%0.38924%0.241SC..EExtended strand (participates in β ladder)trans-118.4-60.3-177.8-65.4-54.8-155.9169.78.1113.4L563 E565 N664L563-R584 PolarHBondContact O-N 3.18Å; E565-R584 HydrophobicContact CB-CG 3.67Å; E565-R584 VanDerWaalsContact CD-NE 3.28Å; E565-R584 IonicContact OE1-CZ 2.66Å; E565-R584 IonicContact OE1-NE 3.43Å; E565-R584 PolarHBondContact OE1-NE 2.84Å; E565-R584 IonicContact OE1-NH2 3.48Å; E565-R584 PolarHBondContact OE1-NH2 3.03Å; E565-R584 IonicContact OE2-CZ 3.67Å; E565-R584 IonicContact OE2-NE 2.77Å; E565-R584 PolarHBondContact OE2-NE 3.27Å; E565-R584 IonicContact OE2-NH2 3.99Å; E565-R584 PolarHBondContact OE2-NH2 3.14Å; R584-N664 PolarHBondContact O-ND2 3.09Å
585R94.8Very high92.7Very high89 Ų8952.4 Ų52.434%0.33623%0.233SC..EExtended strand (participates in β ladder)trans-130.5149.6-173.6-67.3-174-70.8165-1.4110.3C562 L563 Y605C562-R585 CarbonylContact C-O 3.58Å; C562-R585 WeakPolarHBondContact CA-O 3.34Å; C562-R585 PolarHBondContact SG-O 2.79Å; L563-R585 HydrophobicContact CB-CB 4.45Å; L563-R585 PolarHBondContact N-O 2.93Å; R585-Y605 HydrophobicContact CB-CD1 3.73Å; R585-Y605 HydrophobicContact CB-CE1 3.86Å; R585-Y605 HydrophobicContact CG-CD1 4.49Å; R585-Y605 VanDerWaalsContact CZ-CE1 3.47Å; R585-Y605 VanDerWaalsContact NH2-CZ 3.27Å; R585-Y605 PolarHBondContact NH2-OH 2.99Å
586R96.6Very high93.4Very high0 Ų054.6 Ų54.60%024%0.244CC..EExtended strand (participates in β ladder)trans-91.3149171.9-60.5170.4-59.6141.1-3108.9P518 G561 L606 D608 N664 W670 L687 L689P518-R586 HydrophobicContact CG-CG 3.54Å; G561-R586 WeakPolarHBondContact O-CA 3.35Å; R586-L606 HydrophobicContact CB-CB 4.11Å; R586-L606 PolarHBondContact NH2-O 3.42Å; R586-L606 PolarHBondContact O-N 2.97Å; R586-D608 IonicContact CZ-OD1 2.72Å; R586-D608 IonicContact NH1-OD1 3.7Å; R586-D608 IonicContact NH2-OD1 3.65Å; R586-D608 PolarHBondContact NH2-OD1 3.44Å; R586-N664 WeakPolarHBondContact CG-OD1 3.33Å; R586-N664 PolarHBondContact NE-OD1 3.32Å; R586-W670 VanDerWaalsContact CD-CH2 3.4Å; R586-L687 WeakPolarHBondContact CD-O 3.43Å; R586-L687 HydrophobicContact CG-CD1 3.77Å; R586-L687 HydrophobicContact CG-CG 4.33Å; R586-L687 PolarHBondContact NH1-O 3.27Å; R586-L689 PolarHBondContact NH1-O 2.72Å
587F97.1Very high93.5Very high0 Ų051.7 Ų51.70%025%0.246CC..EExtended strand (participates in β ladder)trans-142.1162.1174.961.6-106.4000111.7I510 Y560 G561 L563 I589 V603 E604 Y605I510-F587 HydrophobicContact CD1-CE2 4.35Å; I510-F587 HydrophobicContact CD1-CZ 4.04Å; Y560-F587 WeakPolarHBondContact CA-O 2.96Å; G561-F587 PolarHBondContact N-O 3.03Å; G561-F587 PolarHBondContact O-N 2.83Å; L563-F587 HydrophobicContact CB-CD1 4.26Å; L563-F587 HydrophobicContact CB-CE1 4.34Å; F587-I589 HydrophobicContact CD2-CD1 3.94Å; F587-I589 HydrophobicContact CE2-CD1 3.51Å; F587-I589 HydrophobicContact CE2-CG1 4.34Å; F587-V603 HydrophobicContact CB-CB 4.07Å; F587-V603 HydrophobicContact CB-CG2 4.41Å; F587-V603 HydrophobicContact CD2-CB 4.22Å; F587-V603 HydrophobicContact CD2-CG1 3.96Å; F587-V603 HydrophobicContact CE2-CG1 4.38Å; F587-V603 HydrophobicContact CG-CB 4.18Å; F587-V603 HydrophobicContact CG-CG1 4.27Å; F587-E604 CarbonylContact C-O 3.55Å; F587-E604 WeakPolarHBondContact CA-O 3.21Å; F587-E604 WeakPolarHBondContact CB-O 3.37Å; F587-Y605 HydrophobicContact CB-CD1 4.23Å; F587-Y605 HydrophobicContact CB-CE1 4.42Å
588K96.6Very high93.7Very high66 Ų6652 Ų5229%0.28725%0.246SC..EExtended strand (participates in β ladder)trans-110.9137.8168.4178.4-175.9163-151.40108.7G559 Y560 M590 V603 E604 L606G559-K588 WeakPolarHBondContact O-CA 3.34Å; Y560-K588 HydrophobicContact CD1-CB 3.82Å; Y560-K588 HydrophobicContact CD1-CG 4.08Å; Y560-K588 HydrophobicContact CE1-CB 3.68Å; Y560-K588 HydrophobicContact CE1-CD 3.92Å; Y560-K588 HydrophobicContact CE1-CG 3.63Å; K588-M590 HydrophobicContact CD-SD 4.24Å; K588-M590 HydrophobicContact CG-SD 4.38Å; K588-V603 WeakPolarHBondContact O-CA 3.41Å; K588-E604 PolarHBondContact N-O 3.32Å; K588-E604 IonicContact NZ-OE2 3.46Å; K588-E604 PolarHBondContact NZ-OE2 2.71Å; K588-E604 PolarHBondContact O-N 3.18Å; K588-L606 HydrophobicContact CB-CD1 4.45Å; K588-L606 HydrophobicContact CB-CD2 4.27Å; K588-L606 HydrophobicContact CB-CG 4.44Å
589I95.6Very high93.7Very high14 Ų1451.5 Ų51.57%0.07224%0.242CC..EExtended strand (participates in β ladder)trans-76.7125.9174.8-55.1-64.4000109.1I510 F557 G559 F587 H592 A601 V603I510-I589 HydrophobicContact CD1-CD1 4.29Å; F557-I589 HydrophobicContact CD2-CG1 4.38Å; F557-I589 HydrophobicContact CE2-CD1 3.79Å; F557-I589 HydrophobicContact CE2-CG1 3.93Å; F557-I589 HydrophobicContact CE2-CG2 4.39Å; G559-I589 PolarHBondContact O-N 3.4Å; F587-I589 HydrophobicContact CD2-CD1 3.94Å; F587-I589 HydrophobicContact CE2-CD1 3.51Å; F587-I589 HydrophobicContact CE2-CG1 4.34Å; I589-H592 WeakPolarHBondContact CG2-CE1 3.21Å; I589-H592 WeakPolarHBondContact CG2-ND1 3.29Å; I589-A601 HydrophobicContact CD1-CB 3.63Å; I589-A601 HydrophobicContact CG2-CB 4.11Å; I589-V603 HydrophobicContact CD1-CG1 4.11Å
590M95.4Very high93.7Very high110 Ų11051.7 Ų51.754%0.54224%0.243SC..EExtended strand (participates in β ladder)trans-99.5-39.8175.6-58.7-58-77.200111.3K588 D602 E604K588-M590 HydrophobicContact CD-SD 4.24Å; K588-M590 HydrophobicContact CG-SD 4.38Å; M590-D602 WeakPolarHBondContact CB-O 3.22Å; M590-D602 PolarHBondContact N-O 2.77Å; M590-E604 HydrophobicContact CG-CB 3.81Å; M590-E604 HydrophobicContact SD-CB 3.9Å
591Q93.4Very high93.7Very high95 Ų9549.2 Ų49.244%0.44423%0.23SC..EExtended strand (participates in β ladder)trans-143.8141.2175.7-173.1166.86.700110.7A601 D602Q591-A601 WeakPolarHBondContact O-CA 3.34Å; Q591-A601 WeakPolarHBondContact O-CB 3.34Å; Q591-D602 HydrophobicContact CB-CB 4.09Å; Q591-D602 PolarHBondContact N-O 2.88Å; Q591-D602 PolarHBondContact O-N 3.34Å; Q591-D602 PolarHBondContact OE1-OD2 2.66Å
592H91.9Very high93.7Very high81 Ų8150.4 Ų50.438%0.37524%0.236SC..EExtended strand (participates in β ladder)trans-97.3140.8175-59.561.5000109.4F557 I589F557-H592 AromaticContact CE1-CD2 3.68Å; F557-H592 AromaticContact CE2-CD2 3.55Å; F557-H592 AromaticContact CE2-NE2 3.74Å; F557-H592 HydrophobicContact CZ-CB 4.48Å; F557-H592 AromaticContact CZ-CD2 3.33Å; F557-H592 WeakPolarHBondContact CZ-CD2 3.5Å; I589-H592 WeakPolarHBondContact CG2-CE1 3.21Å; I589-H592 WeakPolarHBondContact CG2-ND1 3.29Å
593R91.9Very high93.7Very high108 Ų10850.2 Ų50.241%0.40824%0.236SC..EExtended strand (participates in β ladder)trans-146.1169.3179.2-64.8178.1-170.1-87.4-0.9109.1T600 D602R593-T600 CarbonylContact C-O 3.52Å; R593-T600 WeakPolarHBondContact CA-O 3.42Å; R593-T600 VanDerWaalsContact CB-OG1 3.22Å; R593-T600 WeakPolarHBondContact CB-OG1 3.49Å; R593-T600 PolarHBondContact N-O 2.81Å; R593-T600 PolarHBondContact O-N 3.15Å; R593-D602 IonicContact CZ-OD2 3.35Å; R593-D602 IonicContact NE-OD1 3.71Å; R593-D602 IonicContact NE-OD2 2.93Å; R593-D602 PolarHBondContact NE-OD2 3.18Å; R593-D602 IonicContact NH2-OD2 2.87Å; R593-D602 PolarHBondContact NH2-OD2 3.29Å
594E90.8Very high93.7Very high142 Ų14254.4 Ų54.466%0.66426%0.255SS*.EExtended strand (participates in β ladder)trans-132143.4170.6-164.8-166.5133.400108.6G597 Y598E594-G597 WeakPolarHBondContact OE1-CA 3.29Å; E594-Y598 WeakPolarHBondContact CG-O 3.33Å
595R88.3Confident93.8Very high59 Ų5951.5 Ų51.522%0.22324%0.244CC..EExtended strand (participates in β ladder)trans-143.3126.9174.1-174.8174.7-172.7154.21.3109.6E500 G597 Y598 T600E500-R595 IonicContact OE1-NH1 2.73Å; E500-R595 PolarHBondContact OE1-NH1 2.99Å; E500-R595 IonicContact OE2-CZ 3.95Å; E500-R595 VanDerWaalsContact OE2-CZ 3.3Å; E500-R595 IonicContact OE2-NH1 3.44Å; E500-R595 PolarHBondContact OE2-NH1 3.29Å; E500-R595 IonicContact OE2-NH2 3.39Å; E500-R595 PolarHBondContact OE2-NH2 2.82Å; R595-G597 PolarHBondContact O-N 3.06Å; R595-G597 VanDerWaalsContact O-N 3.13Å; R595-Y598 PolarHBondContact N-O 3.12Å; R595-Y598 WeakPolarHBondContact O-CD1 3.3Å; R595-Y598 WeakPolarHBondContact O-CE1 3.3Å; R595-Y598 PolarHBondContact O-N 2.85Å; R595-Y598 VanDerWaalsContact O-N 3.15Å; R595-T600 HydrophobicContact CB-CG2 4Å
596D86.3Confident93.9Very high54 Ų5448.3 Ų48.329%0.28923%0.234SC..THydrogen-bonded Turntrans5135176.4-61.1-64000114.8R445 L533 R537 Y598R445-D596 IonicContact CZ-OD1 3.77Å; R445-D596 IonicContact NH1-OD1 2.75Å; R445-D596 PolarHBondContact NH1-OD1 3.14Å; R445-D596 IonicContact NH1-OD2 3.76Å; R445-D596 IonicContact NH2-OD1 3.53Å; R445-D596 PolarHBondContact NH2-OD1 3.49Å; L533-D596 HydrophobicContact CD2-CB 3.79Å; R537-D596 IonicContact CZ-OD2 3.02Å; R537-D596 IonicContact NH1-OD2 2.67Å; R537-D596 PolarHBondContact NH1-OD2 2.89Å; R537-D596 IonicContact NH2-OD2 2.67Å; R537-D596 PolarHBondContact NH2-OD2 2.87Å; D596-Y598 HydrophobicContact CB-CE1 4.29Å
597G87.8Confident93.8Very high42 Ų4254.1 Ų54.143%0.43326%0.261SS..THydrogen-bonded Turntrans83.211.1176.800000115.6C530 E594 R595C530-G597 WeakPolarHBondContact CB-O 2.95Å; C530-G597 PolarHBondContact SG-O 3.33Å; E594-G597 WeakPolarHBondContact OE1-CA 3.29Å; R595-G597 PolarHBondContact O-N 3.06Å; R595-G597 VanDerWaalsContact O-N 3.13Å
598Y92.2Very high93.6Very high7 Ų755 Ų553%0.02727%0.266CS..EExtended strand (participates in β ladder)trans-127.5154.816865.7-93.1000111.5P509 C530 L533 M534 R537 E594 R595 D596 T600P509-Y598 HydrophobicContact CB-CD2 4.34Å; P509-Y598 HydrophobicContact CB-CE2 3.86Å; C530-Y598 WeakPolarHBondContact O-CD1 3.21Å; L533-Y598 HydrophobicContact CD2-CE1 4.38Å; L533-Y598 HydrophobicContact CG-CE1 4.45Å; M534-Y598 HydrophobicContact CB-CD1 4Å; M534-Y598 HydrophobicContact CB-CD2 4.12Å; M534-Y598 HydrophobicContact CB-CE1 4.12Å; M534-Y598 HydrophobicContact CB-CE2 4.25Å; M534-Y598 HydrophobicContact CB-CG 4.02Å; M534-Y598 HydrophobicContact CG-CD2 3.78Å; M534-Y598 HydrophobicContact CG-CE2 3.84Å; M534-Y598 HydrophobicContact CG-CG 4.18Å; M534-Y598 HydrophobicContact SD-CD2 4.07Å; M534-Y598 HydrophobicContact SD-CG 4.48Å; R537-Y598 WeakPolarHBondContact CD-OH 3.4Å; R537-Y598 PolarHBondContact NH1-OH 3.02Å; E594-Y598 WeakPolarHBondContact CG-O 3.33Å; R595-Y598 PolarHBondContact N-O 3.12Å; R595-Y598 WeakPolarHBondContact O-CD1 3.3Å; R595-Y598 WeakPolarHBondContact O-CE1 3.3Å; R595-Y598 PolarHBondContact O-N 2.85Å; R595-Y598 VanDerWaalsContact O-N 3.15Å; D596-Y598 HydrophobicContact CB-CE1 4.29Å; Y598-T600 HydrophobicContact CD2-CG2 4.1Å; Y598-T600 HydrophobicContact CE2-CG2 3.65Å
599N94.6Very high93.5Very high45 Ų4556.5 Ų56.524%0.24128%0.281CS..EExtended strand (participates in β ladder)trans-69.9142.2-178.5-68.3-65.1000111.4I510 F557I510-N599 HydrophobicContact CB-CB 4.02Å; I510-N599 PolarHBondContact N-O 3.01Å; F557-N599 HydrophobicContact CD1-CB 4.37Å; F557-N599 HydrophobicContact CE1-CB 3.69Å; F557-N599 HydrophobicContact CZ-CB 4.34Å
600T94.8Very high93.4Very high4 Ų462.4 Ų62.43%0.02531%0.306CS..EExtended strand (participates in β ladder)trans-131.6157.8170.653.20000110.6S507 V508 R593 R595 Y598S507-T600 WeakPolarHBondContact O-CG2 3.44Å; V508-T600 CarbonylContact O-C 3.48Å; V508-T600 WeakPolarHBondContact O-CA 3.43Å; R593-T600 CarbonylContact C-O 3.52Å; R593-T600 WeakPolarHBondContact CA-O 3.42Å; R593-T600 VanDerWaalsContact CB-OG1 3.22Å; R593-T600 WeakPolarHBondContact CB-OG1 3.49Å; R593-T600 PolarHBondContact N-O 2.81Å; R593-T600 PolarHBondContact O-N 3.15Å; R595-T600 HydrophobicContact CB-CG2 4Å; Y598-T600 HydrophobicContact CD2-CG2 4.1Å; Y598-T600 HydrophobicContact CE2-CG2 3.65Å
601A95.3Very high93.3Very high0 Ų059.4 Ų59.40%029%0.294CS..EExtended strand (participates in β ladder)trans-147.5148.4179.500000114.1S507 V508 I510 I589 Q591 V603S507-A601 CarbonylContact C-O 3.57Å; S507-A601 PolarHBondContact N-O 2.84Å; V508-A601 WeakPolarHBondContact CB-O 3.49Å; V508-A601 PolarHBondContact N-O 3.06Å; V508-A601 PolarHBondContact O-N 2.74Å; I510-A601 HydrophobicContact CD1-CB 4.05Å; I510-A601 HydrophobicContact CG1-CB 3.74Å; I589-A601 HydrophobicContact CD1-CB 3.63Å; I589-A601 HydrophobicContact CG2-CB 4.11Å; Q591-A601 WeakPolarHBondContact O-CA 3.34Å; Q591-A601 WeakPolarHBondContact O-CB 3.34Å; A601-V603 HydrophobicContact CB-CG1 3.99Å
602D96.1Very high93.2Very high24 Ų2462.9 Ų62.913%0.12831%0.31CS..EExtended strand (participates in β ladder)trans-85.4128.6163.3-57.5-36.5000107.6K506 S507 M590 Q591 R593K506-D602 WeakPolarHBondContact CA-OD1 3.48Å; S507-D602 PolarHBondContact N-OD1 3.23Å; M590-D602 WeakPolarHBondContact CB-O 3.22Å; M590-D602 PolarHBondContact N-O 2.77Å; Q591-D602 HydrophobicContact CB-CB 4.09Å; Q591-D602 PolarHBondContact N-O 2.88Å; Q591-D602 PolarHBondContact O-N 3.34Å; Q591-D602 PolarHBondContact OE1-OD2 2.66Å; R593-D602 IonicContact CZ-OD2 3.35Å; R593-D602 IonicContact NE-OD1 3.71Å; R593-D602 IonicContact NE-OD2 2.93Å; R593-D602 PolarHBondContact NE-OD2 3.18Å; R593-D602 IonicContact NH2-OD2 2.87Å; R593-D602 PolarHBondContact NH2-OD2 3.29Å
603V96.6Very high93.2Very high10 Ų1061 Ų616%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-129142.5-166.2-53.50000113.9N505 V508 F587 K588 I589 A601 Y605N505-V603 PolarHBondContact O-N 2.7Å; V508-V603 HydrophobicContact CB-CG1 4.3Å; V508-V603 HydrophobicContact CB-CG2 4.48Å; V508-V603 HydrophobicContact CG2-CG1 4.28Å; V508-V603 HydrophobicContact CG2-CG2 3.69Å; F587-V603 HydrophobicContact CB-CB 4.07Å; F587-V603 HydrophobicContact CB-CG2 4.41Å; F587-V603 HydrophobicContact CD2-CB 4.22Å; F587-V603 HydrophobicContact CD2-CG1 3.96Å; F587-V603 HydrophobicContact CE2-CG1 4.38Å; F587-V603 HydrophobicContact CG-CB 4.18Å; F587-V603 HydrophobicContact CG-CG1 4.27Å; K588-V603 WeakPolarHBondContact O-CA 3.41Å; I589-V603 HydrophobicContact CD1-CG1 4.11Å; A601-V603 HydrophobicContact CB-CG1 3.99Å; V603-Y605 HydrophobicContact CG2-CE2 4.27Å
604E97.1Very high93.1Very high90 Ų9061.4 Ų61.442%0.42132%0.322SS..EExtended strand (participates in β ladder)trans-106.9123172.3179.7177.8-14900108.8F587 K588 M590F587-E604 CarbonylContact C-O 3.55Å; F587-E604 WeakPolarHBondContact CA-O 3.21Å; F587-E604 WeakPolarHBondContact CB-O 3.37Å; K588-E604 PolarHBondContact N-O 3.32Å; K588-E604 IonicContact NZ-OE2 3.46Å; K588-E604 PolarHBondContact NZ-OE2 2.71Å; K588-E604 PolarHBondContact O-N 3.18Å; M590-E604 HydrophobicContact CG-CB 3.81Å; M590-E604 HydrophobicContact SD-CB 3.9Å
605Y96.7Very high93.1Very high41 Ų4156.5 Ų56.516%0.16131%0.305CS..EExtended strand (participates in β ladder)trans-76.4140.8-180-74.4-72.8000111.7L504 L563 R585 F587 V603L504-Y605 VanDerWaalsContact O-CE2 3.22Å; L504-Y605 WeakPolarHBondContact O-CE2 3.34Å; L504-Y605 VanDerWaalsContact O-CZ 3.27Å; L504-Y605 PolarHBondContact O-OH 3.24Å; L563-Y605 HydrophobicContact CB-CE1 4.45Å; L563-Y605 HydrophobicContact CD2-CE1 4.23Å; R585-Y605 HydrophobicContact CB-CD1 3.73Å; R585-Y605 HydrophobicContact CB-CE1 3.86Å; R585-Y605 HydrophobicContact CG-CD1 4.49Å; R585-Y605 VanDerWaalsContact CZ-CE1 3.47Å; R585-Y605 VanDerWaalsContact NH2-CZ 3.27Å; R585-Y605 PolarHBondContact NH2-OH 2.99Å; F587-Y605 HydrophobicContact CB-CD1 4.23Å; F587-Y605 HydrophobicContact CB-CE1 4.42Å; V603-Y605 HydrophobicContact CG2-CE2 4.27Å
606L95.8Very high93.2Very high22 Ų2257.9 Ų57.912%0.11531%0.314CS..EExtended strand (participates in β ladder)trans-107.7125.6-178.4-60.4180000111.3Y560 R586 K588 T690Y560-L606 HydrophobicContact CD1-CD1 3.7Å; Y560-L606 HydrophobicContact CE1-CD1 3.83Å; R586-L606 HydrophobicContact CB-CB 4.11Å; R586-L606 PolarHBondContact NH2-O 3.42Å; R586-L606 PolarHBondContact O-N 2.97Å; K588-L606 HydrophobicContact CB-CD1 4.45Å; K588-L606 HydrophobicContact CB-CD2 4.27Å; K588-L606 HydrophobicContact CB-CG 4.44Å; L606-T690 HydrophobicContact CD2-CG2 4.46Å
607E94.8Very high93.4Very high122 Ų12263.7 Ų63.757%0.5733%0.332SS*.  trans-117.8156.3173.3-54.4-162.1159.300110.9P663 T690E607-P663 CarbonylContact C-O 3.4Å; E607-P663 VanDerWaalsContact CA-O 3.24Å; E607-P663 WeakPolarHBondContact CA-O 3.37Å; E607-P663 HydrophobicContact CB-CB 4.18Å; E607-P663 HydrophobicContact CG-CB 3.88Å; E607-T690 WeakPolarHBondContact O-CB 3.22Å; E607-T690 WeakPolarHBondContact O-CG2 3.47Å
608D93.9Very high93.7Very high19 Ų1966.4 Ų66.410%0.10233%0.334CS..PPolyproline II helixtrans-79.6131176.1-78.9-0.1000111.6R586 K610 P663 T690 R695R586-D608 IonicContact CZ-OD1 2.72Å; R586-D608 IonicContact NH1-OD1 3.7Å; R586-D608 IonicContact NH2-OD1 3.65Å; R586-D608 PolarHBondContact NH2-OD1 3.44Å; D608-K610 PolarHBondContact O-N 3.4Å; D608-P663 PolarHBondContact N-O 2.79Å; D608-T690 CarbonylContact C-O 3.59Å; D608-T690 VanDerWaalsContact CA-O 3.29Å; D608-T690 WeakPolarHBondContact CA-O 3.47Å; D608-R695 IonicContact OD1-CZ 3.03Å; D608-R695 IonicContact OD1-NH2 3.09Å; D608-R695 PolarHBondContact OD1-NH2 2.93Å; D608-R695 IonicContact OD2-CZ 3.89Å; D608-R695 IonicContact OD2-NH2 3.87Å; D608-R695 PolarHBondContact OD2-NH2 3.08Å
609V94.1Very high93.7Very high98 Ų9866.3 Ų66.359%0.59433%0.334SS*.PPolyproline II helixtrans-68.2117.7178.1-178.60000108.7T690V609-T690 PolarHBondContact N-O 2.99Å
610K93.5Very high93.7Very high137 Ų13767.2 Ų67.260%0.59634%0.336SS*.PPolyproline II helixtrans-70.9144178-58.8-168.7-178.6-164.90111D608 Q660D608-K610 PolarHBondContact O-N 3.4Å; K610-Q660 VanDerWaalsContact CA-OE1 3.3Å; K610-Q660 WeakPolarHBondContact CE-O 3.33Å; K610-Q660 HydrophobicContact CG-CB 4.44Å; K610-Q660 PolarHBondContact NZ-O 3.08Å
611V92.5Very high93.6Very high48 Ų4871 Ų7129%0.29136%0.363SS..  trans-123.5148.1176.1-62.40000110A615 E616 L619 Q660V611-A615 HydrophobicContact CB-CB 3.99Å; V611-A615 HydrophobicContact CG2-CB 4.34Å; V611-E616 HydrophobicContact CG2-CB 4.46Å; V611-L619 HydrophobicContact CG2-CB 4.36Å; V611-L619 HydrophobicContact CG2-CD2 3.53Å; V611-Q660 PolarHBondContact O-NE2 2.85Å; V611-Q660 PolarHBondContact O-OE1 2.91Å
612E91.5Very high93.6Very high167 Ų16772.2 Ų72.278%0.7837%0.369SS*.  trans-125.8159-174.7-63.8-177.9177.300112I614 A615E612-I614 PolarHBondContact O-N 3.39Å; E612-A615 PolarHBondContact O-N 2.94Å
613G92.2Very high93.5Very high43 Ų4371 Ų7144%0.44336%0.363SS..THydrogen-bonded Turntrans72.9-107.216500000115.4R617G613-R617 PolarHBondContact O-NE 3.1Å
614I90.7Very high93.4Very high115 Ų11572.6 Ų72.659%0.5937%0.371SS*.Hα-helixtrans-77.2-45.1179.7-60.5174.8000110.1E612 E616 R617 E618E612-I614 PolarHBondContact O-N 3.39Å; I614-E616 VanDerWaalsContact C-N 3.26Å; I614-E616 PolarHBondContact O-N 3.16Å; I614-R617 PolarHBondContact O-N 3.08Å; I614-R617 VanDerWaalsContact O-N 3.16Å; I614-E618 PolarHBondContact O-N 2.85Å
615A89.8Confident93.3Very high39 Ų3970 Ų7032%0.32237%0.365SS..Hα-helixtrans-63.5-33.3-178.400000112.3V611 E612 L619V611-A615 HydrophobicContact CB-CB 3.99Å; V611-A615 HydrophobicContact CG2-CB 4.34Å; E612-A615 PolarHBondContact O-N 2.94Å; A615-L619 VanDerWaalsContact O-CB 3.25Å; A615-L619 WeakPolarHBondContact O-CB 3.28Å; A615-L619 PolarHBondContact O-N 2.94Å
616E91.1Very high93.2Very high88 Ų8868.1 Ų68.141%0.41136%0.358SS..Hα-helixtrans-65.2-43.4173.5-176.1168.3-141.300112.7V611 I614 L619 Q620 Q660V611-E616 HydrophobicContact CG2-CB 4.46Å; I614-E616 VanDerWaalsContact C-N 3.26Å; I614-E616 PolarHBondContact O-N 3.16Å; E616-L619 WeakPolarHBondContact O-CB 3.43Å; E616-L619 PolarHBondContact O-N 3.29Å; E616-Q620 PolarHBondContact O-N 3.3Å; E616-Q660 PolarHBondContact OE1-NE2 3.19Å
617R90.6Very high93.2Very high176 Ų17668.4 Ų68.466%0.66436%0.357SS*.Hα-helixtrans-67.2-37.5176.6-71.5-176.5-70.4150.1-5.4112.5G613 I614 L619 S621G613-R617 PolarHBondContact O-NE 3.1Å; I614-R617 PolarHBondContact O-N 3.08Å; I614-R617 VanDerWaalsContact O-N 3.16Å; R617-L619 VanDerWaalsContact C-N 3.35Å; R617-S621 PolarHBondContact O-N 3.08Å; R617-S621 VanDerWaalsContact O-N 3.08Å
618E93.1Very high93.2Very high99 Ų9966.7 Ų66.746%0.46335%0.352SS..Hα-helixtrans-62.1-43.2169.8-71.6-176.4-17100111.9I614 S621 L622 K693I614-E618 PolarHBondContact O-N 2.85Å; E618-S621 PolarHBondContact O-N 2.78Å; E618-L622 WeakPolarHBondContact O-CB 3.48Å; E618-L622 PolarHBondContact O-N 3.41Å; E618-K693 IonicContact OE2-NZ 2.95Å; E618-K693 PolarHBondContact OE2-NZ 3.13Å
619L93.8Very high93.2Very high6 Ų668.4 Ų68.43%0.03136%0.36CS..Hα-helixtrans-63.9-41.7179.1-179.759.4000111.5V611 A615 E616 R617 L622 H623 L692 K693 L696V611-L619 HydrophobicContact CG2-CB 4.36Å; V611-L619 HydrophobicContact CG2-CD2 3.53Å; A615-L619 VanDerWaalsContact O-CB 3.25Å; A615-L619 WeakPolarHBondContact O-CB 3.28Å; A615-L619 PolarHBondContact O-N 2.94Å; E616-L619 WeakPolarHBondContact O-CB 3.43Å; E616-L619 PolarHBondContact O-N 3.29Å; R617-L619 VanDerWaalsContact C-N 3.35Å; L619-L622 PolarHBondContact O-N 3.42Å; L619-H623 WeakPolarHBondContact O-CB 3.3Å; L619-H623 PolarHBondContact O-N 3.1Å; L619-L692 HydrophobicContact CD1-CB 4.35Å; L619-L692 HydrophobicContact CD1-CD2 4.39Å; L619-L692 HydrophobicContact CD1-CG 4.14Å; L619-L692 HydrophobicContact CD2-CD2 4.26Å; L619-K693 HydrophobicContact CD1-CB 4.04Å; L619-L696 HydrophobicContact CD1-CD1 3.77Å
620Q93.1Very high93.3Very high64 Ų6463.8 Ų63.830%0.29933%0.332SS..Hα-helixtrans-61.2-47.6173.8-171.17057.600111.7E616 L622 H623 D624 L659E616-Q620 PolarHBondContact O-N 3.3Å; Q620-L622 VanDerWaalsContact C-N 3.33Å; Q620-L622 PolarHBondContact O-N 3.01Å; Q620-H623 PolarHBondContact O-N 2.98Å; Q620-D624 PolarHBondContact NE2-OD1 3.35Å; Q620-D624 WeakPolarHBondContact O-CB 3.33Å; Q620-D624 PolarHBondContact O-N 3.24Å; Q620-D624 VanDerWaalsContact O-OD1 3.07Å; Q620-L659 HydrophobicContact CB-CD1 4.36Å
621S93.8Very high93.3Very high84 Ų8462.2 Ų62.259%0.58733%0.325SS*.Hα-helixtrans-61.2-40.9177.6-177.60000112.3R617 E618 A625R617-S621 PolarHBondContact O-N 3.08Å; R617-S621 VanDerWaalsContact O-N 3.08Å; E618-S621 PolarHBondContact O-N 2.78Å; S621-A625 WeakPolarHBondContact O-CB 3.35Å; S621-A625 PolarHBondContact O-N 2.89Å; S621-A625 VanDerWaalsContact O-N 3.14Å
622L94.9Very high93.3Very high24 Ų2464.8 Ų64.813%0.12634%0.341CS..Hα-helixtrans-66.6-47.5174.9178.363.6000111.9E618 L619 Q620 D624 A625 V626 K693 L696E618-L622 WeakPolarHBondContact O-CB 3.48Å; E618-L622 PolarHBondContact O-N 3.41Å; L619-L622 PolarHBondContact O-N 3.42Å; Q620-L622 VanDerWaalsContact C-N 3.33Å; Q620-L622 PolarHBondContact O-N 3.01Å; L622-D624 VanDerWaalsContact C-N 3.31Å; L622-D624 PolarHBondContact O-N 2.95Å; L622-A625 PolarHBondContact O-N 3.39Å; L622-V626 HydrophobicContact CD1-CG2 3.93Å; L622-V626 HydrophobicContact CG-CG2 4.41Å; L622-V626 VanDerWaalsContact O-CG2 3.25Å; L622-V626 WeakPolarHBondContact O-CG2 3.41Å; L622-V626 PolarHBondContact O-N 3.47Å; L622-K693 HydrophobicContact CD2-CG 3.96Å; L622-L696 HydrophobicContact CD2-CB 3.98Å; L622-L696 HydrophobicContact CG-CB 4.15Å
623H94.9Very high93.4Very high0 Ų057.7 Ų57.70%031%0.307CS..Hα-helixtrans-53.7-49.9177.2163.8-92000111.1L619 Q620 V626 Y627 L659 W668 L696L619-H623 WeakPolarHBondContact O-CB 3.3Å; L619-H623 PolarHBondContact O-N 3.1Å; Q620-H623 PolarHBondContact O-N 2.98Å; H623-V626 PolarHBondContact O-N 3.38Å; H623-Y627 WeakPolarHBondContact O-CB 3.48Å; H623-Y627 PolarHBondContact O-N 3.27Å; H623-L659 HydrophobicContact CB-CD1 3.62Å; H623-L659 WeakPolarHBondContact CE1-CD2 3.49Å; H623-L659 WeakPolarHBondContact ND1-CD2 3.43Å; H623-L659 WeakPolarHBondContact NE2-CD2 3.44Å; H623-W668 AromaticContact CD2-CE2 3.88Å; H623-W668 AromaticContact CD2-CZ2 3.55Å; H623-W668 AromaticContact CD2-NE1 3.59Å; H623-W668 AromaticContact CE1-NE1 3.95Å; H623-W668 AromaticContact NE2-CE2 3.59Å; H623-W668 AromaticContact NE2-CZ2 3.71Å; H623-W668 AromaticContact NE2-NE1 2.91Å; H623-W668 PolarHBondContact NE2-NE1 2.94Å; H623-L696 HydrophobicContact CB-CD1 3.86Å
624D93.7Very high93.3Very high43 Ų4355.9 Ų55.923%0.2329%0.287CS..Hα-helixtrans-61.1-50-178.2-74.920000111.3Q620 L622 V626 Y627 D628 K655Q620-D624 PolarHBondContact NE2-OD1 3.35Å; Q620-D624 WeakPolarHBondContact O-CB 3.33Å; Q620-D624 PolarHBondContact O-N 3.24Å; Q620-D624 VanDerWaalsContact O-OD1 3.07Å; L622-D624 VanDerWaalsContact C-N 3.31Å; L622-D624 PolarHBondContact O-N 2.95Å; D624-V626 VanDerWaalsContact C-N 3.29Å; D624-V626 PolarHBondContact O-N 2.91Å; D624-Y627 PolarHBondContact O-N 3.48Å; D624-D628 VanDerWaalsContact O-CG 3.31Å; D624-D628 PolarHBondContact O-N 2.79Å; D624-K655 WeakPolarHBondContact OD1-CE 3.25Å; D624-K655 IonicContact OD1-NZ 3.62Å; D624-K655 PolarHBondContact OD1-NZ 3.16Å; D624-K655 WeakPolarHBondContact OD2-CE 3.2Å; D624-K655 IonicContact OD2-NZ 3.62Å; D624-K655 PolarHBondContact OD2-NZ 2.84Å
625A94.7Very high93.4Very high36 Ų3654 Ų5430%0.29828%0.278SS..Hα-helixtrans-62.7-32.6178.200000113.4S621 L622 Q629S621-A625 WeakPolarHBondContact O-CB 3.35Å; S621-A625 PolarHBondContact O-N 2.89Å; S621-A625 VanDerWaalsContact O-N 3.14Å; L622-A625 PolarHBondContact O-N 3.39Å; A625-Q629 VanDerWaalsContact O-CG 3.29Å; A625-Q629 WeakPolarHBondContact O-CG 3.36Å; A625-Q629 PolarHBondContact O-N 3.49Å; A625-Q629 PolarHBondContact O-NE2 3.34Å
626V95.8Very high93.4Very high0 Ų054.4 Ų54.40%028%0.279CS..Hα-helixtrans-80.8-35.8178.1-1790000111.5L622 H623 D624 Q629 A630 W668 L696 I699 R700 L703L622-V626 HydrophobicContact CD1-CG2 3.93Å; L622-V626 HydrophobicContact CG-CG2 4.41Å; L622-V626 VanDerWaalsContact O-CG2 3.25Å; L622-V626 WeakPolarHBondContact O-CG2 3.41Å; L622-V626 PolarHBondContact O-N 3.47Å; H623-V626 PolarHBondContact O-N 3.38Å; D624-V626 VanDerWaalsContact C-N 3.29Å; D624-V626 PolarHBondContact O-N 2.91Å; V626-Q629 PolarHBondContact O-N 2.86Å; V626-A630 WeakPolarHBondContact O-CB 3.32Å; V626-A630 PolarHBondContact O-N 3Å; V626-W668 HydrophobicContact CB-CH2 4.23Å; V626-W668 HydrophobicContact CG1-CH2 3.9Å; V626-W668 HydrophobicContact CG1-CZ3 4.42Å; V626-L696 HydrophobicContact CB-CD2 4.32Å; V626-L696 HydrophobicContact CG1-CD2 4.3Å; V626-I699 HydrophobicContact CG1-CB 4.39Å; V626-I699 HydrophobicContact CG1-CG2 3.75Å; V626-R700 HydrophobicContact CG1-CB 4.45Å; V626-R700 HydrophobicContact CG2-CB 3.77Å; V626-R700 HydrophobicContact CG2-CG 3.99Å; V626-L703 HydrophobicContact CG1-CD1 4.3Å
627Y95.5Very high93.4Very high28 Ų2851.7 Ų51.711%0.1127%0.267CS..Hα-helixtrans-60-47.1172-178.5-84.4000110.7H623 D624 Q629 A630 F631 M652 K655 W668H623-Y627 WeakPolarHBondContact O-CB 3.48Å; H623-Y627 PolarHBondContact O-N 3.27Å; D624-Y627 PolarHBondContact O-N 3.48Å; Y627-Q629 VanDerWaalsContact C-N 3.35Å; Y627-Q629 PolarHBondContact O-N 3.16Å; Y627-A630 WeakPolarHBondContact O-CB 3.46Å; Y627-A630 PolarHBondContact O-N 3.28Å; Y627-F631 HydrophobicContact CE1-CB 4.36Å; Y627-F631 WeakPolarHBondContact O-CB 3.5Å; Y627-F631 PolarHBondContact O-N 2.87Å; Y627-M652 HydrophobicContact CD2-CE 4.07Å; Y627-M652 HydrophobicContact CE2-CE 3.75Å; Y627-K655 HydrophobicContact CD1-CB 4.19Å; Y627-K655 HydrophobicContact CD1-CD 4.04Å; Y627-K655 HydrophobicContact CD1-CG 4.25Å; Y627-K655 HydrophobicContact CD2-CB 3.98Å; Y627-K655 HydrophobicContact CD2-CG 4.12Å; Y627-K655 HydrophobicContact CE1-CB 3.95Å; Y627-K655 HydrophobicContact CE1-CD 4.43Å; Y627-K655 HydrophobicContact CE2-CB 3.71Å; Y627-K655 HydrophobicContact CE2-CG 4.36Å; Y627-K655 VanDerWaalsContact CE2-N 3.33Å; Y627-K655 HydrophobicContact CG-CB 4.22Å; Y627-K655 HydrophobicContact CG-CD 4.22Å; Y627-K655 HydrophobicContact CG-CG 4.07Å; Y627-K655 PolarHBondContact OH-N 3.27Å; Y627-W668 HydrophobicContact CD2-CB 4.49Å; Y627-W668 AromaticContact CD2-CD1 3.84Å; Y627-W668 AromaticContact CD2-CD2 3.61Å; Y627-W668 HydrophobicContact CD2-CD2 3.61Å; Y627-W668 AromaticContact CD2-CE2 3.64Å; Y627-W668 HydrophobicContact CD2-CE3 4.14Å; Y627-W668 AromaticContact CD2-CG 3.75Å; Y627-W668 HydrophobicContact CD2-CG 3.75Å; Y627-W668 HydrophobicContact CD2-CZ2 4.18Å; Y627-W668 AromaticContact CD2-NE1 3.76Å; Y627-W668 HydrophobicContact CE2-CB 4.26Å; Y627-W668 HydrophobicContact CE2-CD2 4.25Å; Y627-W668 AromaticContact CE2-CG 3.96Å; Y627-W668 HydrophobicContact CE2-CG 3.96Å
628D94.3Very high93.5Very high87 Ų8750.6 Ų50.647%0.46527%0.267SS..Hα-helixtrans-64.3-40-180-66-17.3000111.5D624 F631 V632D624-D628 VanDerWaalsContact O-CG 3.31Å; D624-D628 PolarHBondContact O-N 2.79Å; D628-F631 PolarHBondContact O-N 3.47Å; D628-V632 WeakPolarHBondContact O-CG2 3.37Å; D628-V632 PolarHBondContact O-N 3.42Å
629Q94.4Very high93.4Very high55 Ų5549.7 Ų49.726%0.25728%0.276SS..Hα-helixtrans-62.5-42.5172.3-78.1164.762.100112.3A625 V626 Y627 W633 L703A625-Q629 VanDerWaalsContact O-CG 3.29Å; A625-Q629 WeakPolarHBondContact O-CG 3.36Å; A625-Q629 PolarHBondContact O-N 3.49Å; A625-Q629 PolarHBondContact O-NE2 3.34Å; V626-Q629 PolarHBondContact O-N 2.86Å; Y627-Q629 VanDerWaalsContact C-N 3.35Å; Y627-Q629 PolarHBondContact O-N 3.16Å; Q629-W633 WeakPolarHBondContact O-CB 3.32Å; Q629-W633 PolarHBondContact O-N 3.42Å; Q629-L703 HydrophobicContact CB-CD1 4.22Å
630A94.6Very high93.3Very high0 Ų056.4 Ų56.40%031%0.308CS..Hα-helixtrans-64.1-43.7176.100000111.5V626 Y627 W633 V634 M652 W668 L672 L703V626-A630 WeakPolarHBondContact O-CB 3.32Å; V626-A630 PolarHBondContact O-N 3Å; Y627-A630 WeakPolarHBondContact O-CB 3.46Å; Y627-A630 PolarHBondContact O-N 3.28Å; A630-W633 PolarHBondContact O-N 3.39Å; A630-V634 WeakPolarHBondContact O-CG2 3.24Å; A630-V634 PolarHBondContact O-N 2.91Å; A630-M652 HydrophobicContact CB-CE 3.94Å; A630-W668 HydrophobicContact CB-CZ3 4.06Å; A630-L672 HydrophobicContact CB-CD1 4.3Å; A630-L672 HydrophobicContact CB-CD2 3.59Å; A630-L703 HydrophobicContact CB-CD1 4.04Å
631F93.6Very high93.1Very high104 Ų10457.9 Ų57.946%0.45631%0.314SS..Hα-helixtrans-63.9-42178.5-174-99.8000112.1Y627 D628 N635 M652Y627-F631 HydrophobicContact CE1-CB 4.36Å; Y627-F631 WeakPolarHBondContact O-CB 3.5Å; Y627-F631 PolarHBondContact O-N 2.87Å; D628-F631 PolarHBondContact O-N 3.47Å; F631-N635 VanDerWaalsContact CE1-ND2 3.3Å; F631-N635 WeakPolarHBondContact CE1-ND2 3.48Å; F631-N635 WeakPolarHBondContact CE2-ND2 3.15Å; F631-N635 VanDerWaalsContact CZ-ND2 3.26Å; F631-N635 WeakPolarHBondContact CZ-ND2 3.5Å; F631-N635 WeakPolarHBondContact O-CB 3.44Å; F631-N635 PolarHBondContact O-N 3.34Å; F631-N635 VanDerWaalsContact O-N 3.09Å; F631-N635 PolarHBondContact O-ND2 2.98Å; F631-M652 HydrophobicContact CD2-SD 4.34Å
632V93.6Very high93Very high102 Ų10256.6 Ų56.662%0.61830%0.298SS*.Hα-helixtrans-62.7-43.6171.7170.90000110.8D628 N635 S636D628-V632 WeakPolarHBondContact O-CG2 3.37Å; D628-V632 PolarHBondContact O-N 3.42Å; V632-N635 PolarHBondContact O-N 3.06Å; V632-S636 WeakPolarHBondContact O-CB 3.25Å; V632-S636 PolarHBondContact O-N 3.05Å
633W92.8Very high92.8Very high18 Ų1862.3 Ų62.37%0.06833%0.325CS..Hα-helixtrans-62-49.3177.9175.584000112.3Q629 A630 N635 S636 L637 L672 V675 L676 L703 M706Q629-W633 WeakPolarHBondContact O-CB 3.32Å; Q629-W633 PolarHBondContact O-N 3.42Å; A630-W633 PolarHBondContact O-N 3.39Å; W633-N635 VanDerWaalsContact C-N 3.33Å; W633-N635 PolarHBondContact O-N 3.44Å; W633-S636 WeakPolarHBondContact O-CB 3.3Å; W633-S636 PolarHBondContact O-N 3.18Å; W633-S636 PolarHBondContact O-OG 3.13Å; W633-L637 HydrophobicContact CH2-CD1 4.18Å; W633-L637 HydrophobicContact CH2-CD2 4.42Å; W633-L637 HydrophobicContact CZ2-CD2 3.97Å; W633-L637 HydrophobicContact CZ3-CD1 4.3Å; W633-L637 PolarHBondContact O-N 2.95Å; W633-L672 HydrophobicContact CE3-CD1 3.93Å; W633-L672 HydrophobicContact CZ3-CD1 3.78Å; W633-V675 HydrophobicContact CH2-CG2 4.4Å; W633-V675 HydrophobicContact CZ3-CG2 4.12Å; W633-L676 HydrophobicContact CH2-CD2 3.94Å; W633-L676 HydrophobicContact CZ2-CD2 4.05Å; W633-L676 HydrophobicContact CZ3-CD2 4.22Å; W633-L703 HydrophobicContact CB-CD2 4.02Å; W633-L703 HydrophobicContact CD2-CD2 4.04Å; W633-L703 HydrophobicContact CE3-CD2 4.29Å; W633-L703 HydrophobicContact CG-CD2 3.9Å; W633-M706 HydrophobicContact CZ2-CE 3.64Å; W633-M706 HydrophobicContact CZ2-SD 4.18Å
634V91.4Very high92.7Very high5 Ų572 Ų723%0.0336%0.361CS..Hα-helixtrans-58.8-43.7178172.40000111.2A630 S636 L637 M652 W671A630-V634 WeakPolarHBondContact O-CG2 3.24Å; A630-V634 PolarHBondContact O-N 2.91Å; V634-S636 VanDerWaalsContact C-N 3.25Å; V634-S636 PolarHBondContact O-N 2.59Å; V634-L637 WeakPolarHBondContact O-CB 3.39Å; V634-L637 WeakPolarHBondContact O-CG 3.29Å; V634-L637 PolarHBondContact O-N 2.87Å; V634-M652 HydrophobicContact CB-SD 4.44Å; V634-M652 HydrophobicContact CG2-SD 3.94Å; V634-W671 HydrophobicContact CG1-CH2 4.35Å; V634-W671 HydrophobicContact CG2-CH2 4.19Å; V634-W671 HydrophobicContact CG2-CZ3 3.85Å
635N91.1Very high92.5Very high75 Ų7571.4 Ų71.440%0.40136%0.358SS..Hα-helixtrans-75.8-11.7178.8-69.2-57.1000113.9F631 V632 W633 K642F631-N635 VanDerWaalsContact CE1-ND2 3.3Å; F631-N635 WeakPolarHBondContact CE1-ND2 3.48Å; F631-N635 WeakPolarHBondContact CE2-ND2 3.15Å; F631-N635 VanDerWaalsContact CZ-ND2 3.26Å; F631-N635 WeakPolarHBondContact CZ-ND2 3.5Å; F631-N635 WeakPolarHBondContact O-CB 3.44Å; F631-N635 PolarHBondContact O-N 3.34Å; F631-N635 VanDerWaalsContact O-N 3.09Å; F631-N635 PolarHBondContact O-ND2 2.98Å; V632-N635 PolarHBondContact O-N 3.06Å; W633-N635 VanDerWaalsContact C-N 3.33Å; W633-N635 PolarHBondContact O-N 3.44Å; N635-K642 PolarHBondContact OD1-NZ 2.84Å
636S90.9Very high92.4Very high49 Ų4973.1 Ų73.134%0.34336%0.36SS..THydrogen-bonded Turntrans-87.7-0.1170.980.30000114.1V632 W633 V634 R710V632-S636 WeakPolarHBondContact O-CB 3.25Å; V632-S636 PolarHBondContact O-N 3.05Å; W633-S636 WeakPolarHBondContact O-CB 3.3Å; W633-S636 PolarHBondContact O-N 3.18Å; W633-S636 PolarHBondContact O-OG 3.13Å; V634-S636 VanDerWaalsContact C-N 3.25Å; V634-S636 PolarHBondContact O-N 2.59Å; S636-R710 PolarHBondContact O-NH1 3.08Å; S636-R710 PolarHBondContact O-NH2 3.39Å; S636-R710 PolarHBondContact OG-NH1 2.59Å; S636-R710 PolarHBondContact OG-NH2 3.46Å
637L90.6Very high92Very high30 Ų3076.6 Ų76.616%0.15740%0.395CS..SBendtrans-75153.7175-63.7174.7000110.9W633 V634 I645W633-L637 HydrophobicContact CH2-CD1 4.18Å; W633-L637 HydrophobicContact CH2-CD2 4.42Å; W633-L637 HydrophobicContact CZ2-CD2 3.97Å; W633-L637 HydrophobicContact CZ3-CD1 4.3Å; W633-L637 PolarHBondContact O-N 2.95Å; V634-L637 WeakPolarHBondContact O-CB 3.39Å; V634-L637 WeakPolarHBondContact O-CG 3.29Å; V634-L637 PolarHBondContact O-N 2.87Å; L637-I645 HydrophobicContact CD1-CD1 3.81Å
638K92.7Very high91.6Very high153 Ų15380.2 Ų80.267%0.66541%0.413SS*.  trans-64145172.8-62.9-177.1178.2-176.10109.8E640 Q641 K642K638-E640 VanDerWaalsContact C-N 3.28Å; K638-E640 PolarHBondContact O-N 2.89Å; K638-Q641 HydrophobicContact CB-CG 4.24Å; K638-Q641 WeakPolarHBondContact O-CA 3.37Å; K638-Q641 WeakPolarHBondContact O-CB 3.24Å; K638-Q641 PolarHBondContact O-N 3.34Å; K638-K642 PolarHBondContact O-N 3.37Å
639A91.4Very high91.3Very high80 Ų8078.4 Ų78.466%0.66140%0.401SS*.Hα-helixtrans-51.6-44.6-176.900000113.1Q641 K642 Q643A639-Q641 PolarHBondContact O-N 2.92Å; A639-K642 PolarHBondContact O-N 3.44Å; A639-Q643 WeakPolarHBondContact O-CB 3.26Å; A639-Q643 PolarHBondContact O-N 3.49Å
640E91.5Very high91.1Very high148 Ų14877 Ų7769%0.69240%0.401SS*.Hα-helixtrans-60-40.7175.7-62.3173.1179.500113.3K638 R644K638-E640 VanDerWaalsContact C-N 3.28Å; K638-E640 PolarHBondContact O-N 2.89Å; E640-R644 WeakPolarHBondContact O-CB 3.29Å; E640-R644 VanDerWaalsContact O-CG 3.26Å; E640-R644 WeakPolarHBondContact O-CG 3.39Å; E640-R644 PolarHBondContact O-N 3.22Å
641Q89.7Confident90.9Very high94 Ų9481.5 Ų81.544%0.43943%0.43SS..Hα-helixtrans-69.3-44.1178.8-65177.9-59.900110.4K638 A639 R644 I645K638-Q641 HydrophobicContact CB-CG 4.24Å; K638-Q641 WeakPolarHBondContact O-CA 3.37Å; K638-Q641 WeakPolarHBondContact O-CB 3.24Å; K638-Q641 PolarHBondContact O-N 3.34Å; A639-Q641 PolarHBondContact O-N 2.92Å; Q641-R644 PolarHBondContact O-N 3.22Å; Q641-I645 WeakPolarHBondContact O-CG1 3.43Å; Q641-I645 PolarHBondContact O-N 3.38Å
642K91Very high90.9Very high57 Ų5777.9 Ų77.925%0.24842%0.415CS..Hα-helixtrans-60.9-48.5176.3-175.7172.4175.4179.70111.1N635 K638 A639 R644 I645 E646N635-K642 PolarHBondContact OD1-NZ 2.84Å; K638-K642 PolarHBondContact O-N 3.37Å; A639-K642 PolarHBondContact O-N 3.44Å; K642-R644 VanDerWaalsContact C-N 3.33Å; K642-R644 PolarHBondContact O-N 3.01Å; K642-I645 PolarHBondContact O-N 3.41Å; K642-E646 WeakPolarHBondContact CE-OE1 3.24Å; K642-E646 HydrophobicContact CG-CG 4.28Å; K642-E646 IonicContact NZ-OE1 3.79Å; K642-E646 WeakPolarHBondContact O-CB 3.38Å; K642-E646 WeakPolarHBondContact O-CG 3.43Å; K642-E646 PolarHBondContact O-N 3.49Å
643Q91.6Very high90.9Very high145 Ų14574.6 Ų74.668%0.67840%0.396SS*.Hα-helixtrans-61-39177.8-171.7-179.56.900112.6A639 G647A639-Q643 WeakPolarHBondContact O-CB 3.26Å; A639-Q643 PolarHBondContact O-N 3.49Å; Q643-G647 PolarHBondContact O-N 3Å
644R91.4Very high90.9Very high203 Ų20382.5 Ų82.577%0.76643%0.431SS*.Hα-helixtrans-66.2-39.7174.9-76.5176.163.3-176.7-1112.9E640 Q641 K642 H648E640-R644 WeakPolarHBondContact O-CB 3.29Å; E640-R644 VanDerWaalsContact O-CG 3.26Å; E640-R644 WeakPolarHBondContact O-CG 3.39Å; E640-R644 PolarHBondContact O-N 3.22Å; Q641-R644 PolarHBondContact O-N 3.22Å; K642-R644 VanDerWaalsContact C-N 3.33Å; K642-R644 PolarHBondContact O-N 3.01Å; R644-H648 PolarHBondContact O-N 3.19Å
645I90.8Very high90.7Very high31 Ų3185.7 Ų85.716%0.15944%0.444CS..Hα-helixtrans-65.5-52175.6-73.9164.7000110L637 Q641 K642 G647 H648 F649 W671 V675L637-I645 HydrophobicContact CD1-CD1 3.81Å; Q641-I645 WeakPolarHBondContact O-CG1 3.43Å; Q641-I645 PolarHBondContact O-N 3.38Å; K642-I645 PolarHBondContact O-N 3.41Å; I645-G647 VanDerWaalsContact C-N 3.28Å; I645-G647 PolarHBondContact O-N 3.42Å; I645-H648 PolarHBondContact O-N 2.81Å; I645-H648 VanDerWaalsContact O-N 3.1Å; I645-F649 HydrophobicContact CG2-CD2 4.35Å; I645-F649 PolarHBondContact O-N 3.06Å; I645-W671 HydrophobicContact CG2-CH2 3.84Å; I645-W671 HydrophobicContact CG2-CZ2 3.59Å; I645-V675 HydrophobicContact CD1-CB 4.46Å; I645-V675 HydrophobicContact CG2-CB 4.05Å; I645-V675 HydrophobicContact CG2-CG1 3.5Å; I645-V675 VanDerWaalsContact CG2-CG1 3.5Å
646E90.9Very high90.3Very high72 Ų7284.6 Ų84.634%0.33644%0.438SS..Hα-helixtrans-64.4-32.3-178.4-67.1178.8159.100112.2K642 H648 G650K642-E646 WeakPolarHBondContact CE-OE1 3.24Å; K642-E646 HydrophobicContact CG-CG 4.28Å; K642-E646 IonicContact NZ-OE1 3.79Å; K642-E646 WeakPolarHBondContact O-CB 3.38Å; K642-E646 WeakPolarHBondContact O-CG 3.43Å; K642-E646 PolarHBondContact O-N 3.49Å; E646-H648 VanDerWaalsContact C-N 3.34Å; E646-H648 PolarHBondContact O-N 3.39Å; E646-G650 CarbonylContact O-C 3.59Å; E646-G650 WeakPolarHBondContact O-CA 3.46Å; E646-G650 PolarHBondContact O-N 3.38Å
647G87.7Confident89.7Confident73 Ų7390.2 Ų90.275%0.75346%0.464SS*.Hα-helixtrans-72.1-19.2174.600000115.3Q643 I645Q643-G647 PolarHBondContact O-N 3Å; I645-G647 VanDerWaalsContact C-N 3.28Å; I645-G647 PolarHBondContact O-N 3.42Å
648H86.8Confident89.4Confident103 Ų10395.9 Ų95.948%0.47749%0.489SS..Hα-helixtrans-105.4-44.7179.1-172.382.4000112.8R644 I645 E646R644-H648 PolarHBondContact O-N 3.19Å; I645-H648 PolarHBondContact O-N 2.81Å; I645-H648 VanDerWaalsContact O-N 3.1Å; E646-H648 VanDerWaalsContact C-N 3.34Å; E646-H648 PolarHBondContact O-N 3.39Å
649F88.5Confident88.9Confident49 Ų4989 Ų8922%0.21546%0.46CS..Hα-helixtrans-103.5-4.8-175.3-62.4-75.6000113.8V520 I645 W671 A674 V675V520-F649 HydrophobicContact CG1-CD1 3.67Å; V520-F649 HydrophobicContact CG1-CE1 4.09Å; I645-F649 HydrophobicContact CG2-CD2 4.35Å; I645-F649 PolarHBondContact O-N 3.06Å; F649-W671 PolarHBondContact O-NE1 2.93Å; F649-A674 HydrophobicContact CD1-CB 4.3Å; F649-A674 HydrophobicContact CE1-CB 3.95Å; F649-A674 HydrophobicContact CZ-CB 4.46Å; F649-V675 HydrophobicContact CB-CG1 4.26Å; F649-V675 HydrophobicContact CD2-CG1 3.62Å; F649-V675 HydrophobicContact CE2-CG1 4.05Å; F649-V675 HydrophobicContact CG-CG1 3.98Å
650G90.2Very high88.7Confident25 Ų2586.8 Ų86.826%0.25844%0.436SS..  trans76.9173.9-16800000113.1E646 W671E646-G650 CarbonylContact O-C 3.59Å; E646-G650 WeakPolarHBondContact O-CA 3.46Å; E646-G650 PolarHBondContact O-N 3.38Å; G650-W671 WeakPolarHBondContact O-CZ2 3.22Å; G650-W671 PolarHBondContact O-NE1 3.36Å
651P91.8Very high88.4Confident95 Ų9582.5 Ų82.562%0.61743%0.426SS*.SBendtrans-64.9153.9176.529.5-35.8000111.8P653P651-P653 WeakPolarHBondContact O-CD 3.45Å
652M93.2Very high88.4Confident29 Ų2980.1 Ų80.114%0.14342%0.419CS..PPolyproline II helixtrans-53.9124.9174.3-176.4178.6174.400110.2Y627 A630 F631 V634 W668 W671Y627-M652 HydrophobicContact CD2-CE 4.07Å; Y627-M652 HydrophobicContact CE2-CE 3.75Å; A630-M652 HydrophobicContact CB-CE 3.94Å; F631-M652 HydrophobicContact CD2-SD 4.34Å; V634-M652 HydrophobicContact CB-SD 4.44Å; V634-M652 HydrophobicContact CG2-SD 3.94Å; M652-W668 HydrophobicContact CE-CB 4.45Å; M652-W668 HydrophobicContact CE-CE3 4.17Å; M652-W671 HydrophobicContact CB-CD2 4.42Å; M652-W671 HydrophobicContact CB-CE3 4.06Å; M652-W671 HydrophobicContact CB-CH2 3.8Å; M652-W671 HydrophobicContact CB-CZ2 4.13Å; M652-W671 HydrophobicContact CB-CZ3 3.75Å; M652-W671 HydrophobicContact CG-CE3 3.91Å; M652-W671 HydrophobicContact CG-CH2 4.41Å; M652-W671 HydrophobicContact CG-CZ3 3.84Å; M652-W671 HydrophobicContact SD-CZ3 4.42Å
653P93.9Very high88.4Confident33 Ų3380 Ų8021%0.21442%0.424CS..PPolyproline II helixtrans-59.3148177.6-24.133.1000111.9P651 S667 W668 W671P651-P653 WeakPolarHBondContact O-CD 3.45Å; P653-S667 WeakPolarHBondContact CB-OG 3.37Å; P653-W668 HydrophobicContact CB-CB 4.05Å; P653-W668 HydrophobicContact CG-CB 4.42Å; P653-W671 VanDerWaalsContact CD-CG 3.45Å; P653-W671 HydrophobicContact CG-CB 3.92Å; P653-W671 HydrophobicContact CG-CG 4.15Å
654K91.3Very high88.4Confident183 Ų18373.6 Ų73.680%0.79640%0.395SS*.PPolyproline II helixtrans-65.9154.1176-64.9-178.2-177.8177.70110.3D656K654-D656 PolarHBondContact O-N 2.97Å
655K87.6Confident88.4Confident73 Ų7364 Ų6432%0.31736%0.359SS..PPolyproline II helixtrans-53.1119.8170.5-166.5174.9174.4-178.30110.4D624 Y627D624-K655 WeakPolarHBondContact OD1-CE 3.25Å; D624-K655 IonicContact OD1-NZ 3.62Å; D624-K655 PolarHBondContact OD1-NZ 3.16Å; D624-K655 WeakPolarHBondContact OD2-CE 3.2Å; D624-K655 IonicContact OD2-NZ 3.62Å; D624-K655 PolarHBondContact OD2-NZ 2.84Å; Y627-K655 HydrophobicContact CD1-CB 4.19Å; Y627-K655 HydrophobicContact CD1-CD 4.04Å; Y627-K655 HydrophobicContact CD1-CG 4.25Å; Y627-K655 HydrophobicContact CD2-CB 3.98Å; Y627-K655 HydrophobicContact CD2-CG 4.12Å; Y627-K655 HydrophobicContact CE1-CB 3.95Å; Y627-K655 HydrophobicContact CE1-CD 4.43Å; Y627-K655 HydrophobicContact CE2-CB 3.71Å; Y627-K655 HydrophobicContact CE2-CG 4.36Å; Y627-K655 VanDerWaalsContact CE2-N 3.33Å; Y627-K655 HydrophobicContact CG-CB 4.22Å; Y627-K655 HydrophobicContact CG-CD 4.22Å; Y627-K655 HydrophobicContact CG-CG 4.07Å; Y627-K655 PolarHBondContact OH-N 3.27Å
656D82.4Confident88.5Confident51 Ų5162.7 Ų62.727%0.27335%0.353SS..PPolyproline II helixtrans-68.5137.2178.8-69.3-71.4000110.5K654 P666 S667K654-D656 PolarHBondContact O-N 2.97Å; D656-P666 HydrophobicContact CB-CB 4.38Å; D656-P666 VanDerWaalsContact OD2-CA 3.22Å; D656-P666 WeakPolarHBondContact OD2-CA 3.46Å; D656-P666 VanDerWaalsContact OD2-CB 3.25Å; D656-P666 WeakPolarHBondContact OD2-CB 3.49Å; D656-S667 PolarHBondContact OD2-N 3.13Å; D656-S667 PolarHBondContact OD2-OG 3.4Å
657L78.3Confident88.6Confident168 Ų16860.6 Ų60.688%0.8835%0.346SS*.SBendtrans-79.5-32.8179.1-66.2175.6000112.4
658E84.2Confident88.9Confident148 Ų14857.1 Ų57.169%0.69231%0.31SS*.  trans-11995.8179.1-67.4-179.1-167.800109.6Q660 A661E658-Q660 PolarHBondContact O-N 3.2Å; E658-Q660 VanDerWaalsContact O-N 3.15Å; E658-A661 HydrophobicContact CB-CB 3.75Å; E658-A661 PolarHBondContact O-N 3.04Å
659L82.6Confident89.3Confident8 Ų852.2 Ų52.24%0.04229%0.288CS..THydrogen-bonded Turntrans-61.6-29.2-170.9-52.7-169.9000114.1Q620 H623 P666 L692Q620-L659 HydrophobicContact CB-CD1 4.36Å; H623-L659 HydrophobicContact CB-CD1 3.62Å; H623-L659 WeakPolarHBondContact CE1-CD2 3.49Å; H623-L659 WeakPolarHBondContact ND1-CD2 3.43Å; H623-L659 WeakPolarHBondContact NE2-CD2 3.44Å; L659-P666 HydrophobicContact CD2-CG 4.31Å; L659-L692 HydrophobicContact CB-CD2 4.42Å
660Q88.4Confident89.6Confident34 Ų3449.9 Ų49.916%0.15928%0.277CS..THydrogen-bonded Turntrans-109.511-170.4-48.4-166.791.900112.8K610 V611 E616 E658K610-Q660 VanDerWaalsContact CA-OE1 3.3Å; K610-Q660 WeakPolarHBondContact CE-O 3.33Å; K610-Q660 HydrophobicContact CG-CB 4.44Å; K610-Q660 PolarHBondContact NZ-O 3.08Å; V611-Q660 PolarHBondContact O-NE2 2.85Å; V611-Q660 PolarHBondContact O-OE1 2.91Å; E616-Q660 PolarHBondContact OE1-NE2 3.19Å; E658-Q660 PolarHBondContact O-N 3.2Å; E658-Q660 VanDerWaalsContact O-N 3.15Å
661A85.4Confident89.9Confident59 Ų5949.1 Ų49.149%0.48827%0.267SS..THydrogen-bonded Turntrans-74.6-40.4175.500000111.9E658E658-A661 HydrophobicContact CB-CB 3.75Å; E658-A661 PolarHBondContact O-N 3.04Å
662S89.1Confident90.1Very high43 Ų4344.6 Ų44.630%0.30124%0.237SC..SBendtrans-77.8132.3174.3166.50000110.9N664 G665S662-N664 PolarHBondContact O-N 2.91Å; S662-N664 VanDerWaalsContact O-N 3.16Å; S662-N664 PolarHBondContact OG-N 3.16Å; S662-G665 WeakPolarHBondContact CB-O 3.4Å; S662-G665 PolarHBondContact O-N 3.05Å; S662-G665 PolarHBondContact OG-N 3.44Å; S662-G665 PolarHBondContact OG-O 3.28Å
663P90.2Very high90.1Very high54 Ų5443.2 Ų43.235%0.35123%0.231SC..THydrogen-bonded Turntrans-66.4-13.417428.2-34.9000113E607 D608E607-P663 CarbonylContact C-O 3.4Å; E607-P663 VanDerWaalsContact CA-O 3.24Å; E607-P663 WeakPolarHBondContact CA-O 3.37Å; E607-P663 HydrophobicContact CB-CB 4.18Å; E607-P663 HydrophobicContact CG-CB 3.88Å; D608-P663 PolarHBondContact N-O 2.79Å
664N92.3Very high90.1Very high11 Ų1142.5 Ų42.56%0.05923%0.227CC..THydrogen-bonded Turntrans-1035.5172.4-57.2-78.6000112.7P518 R584 R586 S662 W670P518-N664 HydrophobicContact CB-CB 3.93Å; P518-N664 HydrophobicContact CG-CB 3.89Å; R584-N664 PolarHBondContact O-ND2 3.09Å; R586-N664 WeakPolarHBondContact CG-OD1 3.33Å; R586-N664 PolarHBondContact NE-OD1 3.32Å; S662-N664 PolarHBondContact O-N 2.91Å; S662-N664 VanDerWaalsContact O-N 3.16Å; S662-N664 PolarHBondContact OG-N 3.16Å; N664-W670 HydrophobicContact CB-CZ2 4.29Å; N664-W670 VanDerWaalsContact O-CE2 3.29Å; N664-W670 VanDerWaalsContact O-CZ2 3.29Å; N664-W670 WeakPolarHBondContact O-CZ2 3.43Å; N664-W670 PolarHBondContact O-NE1 2.72Å
665G91.1Very high90.1Very high2 Ų234.5 Ų34.52%0.02119%0.194CC..  trans68.6-166.4-17000000114S662S662-G665 WeakPolarHBondContact CB-O 3.4Å; S662-G665 PolarHBondContact O-N 3.05Å; S662-G665 PolarHBondContact OG-N 3.44Å; S662-G665 PolarHBondContact OG-O 3.28Å
666P93.2Very high90.3Very high3 Ų331.3 Ų31.32%0.01918%0.18CC..  trans-59.8139.3-170.7-27.636.3000114.9D656 L659 W668 C669 W670 L692D656-P666 HydrophobicContact CB-CB 4.38Å; D656-P666 VanDerWaalsContact OD2-CA 3.22Å; D656-P666 WeakPolarHBondContact OD2-CA 3.46Å; D656-P666 VanDerWaalsContact OD2-CB 3.25Å; D656-P666 WeakPolarHBondContact OD2-CB 3.49Å; L659-P666 HydrophobicContact CD2-CG 4.31Å; P666-W668 PolarHBondContact O-N 2.97Å; P666-C669 WeakPolarHBondContact O-CB 3.47Å; P666-C669 PolarHBondContact O-N 2.93Å; P666-W670 VanDerWaalsContact O-CD1 3.31Å; P666-L692 HydrophobicContact CG-CD1 4.49Å; P666-L692 HydrophobicContact CG-CD2 4.09Å
667S92.8Very high90.5Very high28 Ų2833.7 Ų33.720%0.19620%0.198CC..Hα-helixtrans-67.1-39.1-17559.50000112.7P653 D656 C669 W670 W671P653-S667 WeakPolarHBondContact CB-OG 3.37Å; D656-S667 PolarHBondContact OD2-N 3.13Å; D656-S667 PolarHBondContact OD2-OG 3.4Å; S667-C669 PolarHBondContact O-N 3.22Å; S667-W670 PolarHBondContact O-N 3.15Å; S667-W670 VanDerWaalsContact O-N 3.16Å; S667-W671 PolarHBondContact O-N 2.72Å
668W94.2Very high90.9Very high0 Ų027.7 Ų27.70%017%0.167CC..Hα-helixtrans-62.9-28179.771.5-94.1000113.2H623 V626 Y627 A630 M652 P653 P666 W670 L672 L696H623-W668 AromaticContact CD2-CE2 3.88Å; H623-W668 AromaticContact CD2-CZ2 3.55Å; H623-W668 AromaticContact CD2-NE1 3.59Å; H623-W668 AromaticContact CE1-NE1 3.95Å; H623-W668 AromaticContact NE2-CE2 3.59Å; H623-W668 AromaticContact NE2-CZ2 3.71Å; H623-W668 AromaticContact NE2-NE1 2.91Å; H623-W668 PolarHBondContact NE2-NE1 2.94Å; V626-W668 HydrophobicContact CB-CH2 4.23Å; V626-W668 HydrophobicContact CG1-CH2 3.9Å; V626-W668 HydrophobicContact CG1-CZ3 4.42Å; Y627-W668 HydrophobicContact CD2-CB 4.49Å; Y627-W668 AromaticContact CD2-CD1 3.84Å; Y627-W668 AromaticContact CD2-CD2 3.61Å; Y627-W668 HydrophobicContact CD2-CD2 3.61Å; Y627-W668 AromaticContact CD2-CE2 3.64Å; Y627-W668 HydrophobicContact CD2-CE3 4.14Å; Y627-W668 AromaticContact CD2-CG 3.75Å; Y627-W668 HydrophobicContact CD2-CG 3.75Å; Y627-W668 HydrophobicContact CD2-CZ2 4.18Å; Y627-W668 AromaticContact CD2-NE1 3.76Å; Y627-W668 HydrophobicContact CE2-CB 4.26Å; Y627-W668 HydrophobicContact CE2-CD2 4.25Å; Y627-W668 AromaticContact CE2-CG 3.96Å; Y627-W668 HydrophobicContact CE2-CG 3.96Å; A630-W668 HydrophobicContact CB-CZ3 4.06Å; M652-W668 HydrophobicContact CE-CB 4.45Å; M652-W668 HydrophobicContact CE-CE3 4.17Å; P653-W668 HydrophobicContact CB-CB 4.05Å; P653-W668 HydrophobicContact CG-CB 4.42Å; P666-W668 PolarHBondContact O-N 2.97Å; W668-W670 VanDerWaalsContact C-N 3.32Å; W668-W670 PolarHBondContact O-N 2.73Å; W668-L672 HydrophobicContact CE3-CD2 4.34Å; W668-L672 HydrophobicContact CZ3-CD2 3.93Å; W668-L672 WeakPolarHBondContact O-CB 3.48Å; W668-L672 PolarHBondContact O-N 3.42Å; W668-L696 HydrophobicContact CH2-CD2 3.75Å; W668-L696 HydrophobicContact CZ2-CD2 3.79Å
669C94.9Very high91.1Very high0 Ų028.2 Ų28.20%017%0.17CC..Hα-helixtrans-62.6-41.5176.2-71.10000111.2P666 S667 L673 I699P666-C669 WeakPolarHBondContact O-CB 3.47Å; P666-C669 PolarHBondContact O-N 2.93Å; S667-C669 PolarHBondContact O-N 3.22Å; C669-L673 WeakPolarHBondContact O-CB 3.38Å; C669-L673 VanDerWaalsContact O-CG 3.3Å; C669-L673 WeakPolarHBondContact O-CG 3.47Å; C669-L673 PolarHBondContact O-N 3.13Å; C669-I699 HydrophobicContact CB-CD1 4.14Å
670W95.4Very high91.2Very high1 Ų128.7 Ų28.70%0.00418%0.176CC..Hα-helixtrans-74.8-42.5-178.9-61.2115.6000112.1F517 P518 V520 R586 N664 P666 S667 W668 L672 L673 A674 L687 R695F517-W670 HydrophobicContact CB-CB 4.01Å; F517-W670 HydrophobicContact CB-CE3 4.09Å; F517-W670 AromaticContact CD1-CE3 3.75Å; F517-W670 HydrophobicContact CD1-CE3 3.75Å; F517-W670 HydrophobicContact CD1-CZ3 4.1Å; F517-W670 HydrophobicContact CG-CE3 4.32Å; P518-W670 HydrophobicContact CB-CG 4.24Å; P518-W670 HydrophobicContact CG-CD2 4.22Å; P518-W670 HydrophobicContact CG-CG 4.45Å; P518-W670 HydrophobicContact CG-CZ2 4.47Å; P518-W670 WeakPolarHBondContact O-CB 3.36Å; V520-W670 HydrophobicContact CG2-CB 4.17Å; R586-W670 VanDerWaalsContact CD-CH2 3.4Å; N664-W670 HydrophobicContact CB-CZ2 4.29Å; N664-W670 VanDerWaalsContact O-CE2 3.29Å; N664-W670 VanDerWaalsContact O-CZ2 3.29Å; N664-W670 WeakPolarHBondContact O-CZ2 3.43Å; N664-W670 PolarHBondContact O-NE1 2.72Å; P666-W670 VanDerWaalsContact O-CD1 3.31Å; S667-W670 PolarHBondContact O-N 3.15Å; S667-W670 VanDerWaalsContact O-N 3.16Å; W668-W670 VanDerWaalsContact C-N 3.32Å; W668-W670 PolarHBondContact O-N 2.73Å; W670-L672 VanDerWaalsContact C-N 3.3Å; W670-L672 PolarHBondContact O-N 3.22Å; W670-L673 HydrophobicContact CE3-CD1 3.83Å; W670-L673 HydrophobicContact CZ3-CD1 3.92Å; W670-L673 PolarHBondContact O-N 3.01Å; W670-A674 PolarHBondContact O-N 2.9Å; W670-L687 HydrophobicContact CZ3-CD1 4.13Å; W670-R695 VanDerWaalsContact CH2-CZ 3.48Å; W670-R695 VanDerWaalsContact CH2-NH1 3.31Å
671W95.8Very high91.1Very high9 Ų934.2 Ų34.23%0.03420%0.196CC..Hα-helixtrans-56.6-45.9169.8-175.897.7000111V634 I645 F649 G650 M652 P653 S667 L673 A674 V675V634-W671 HydrophobicContact CG1-CH2 4.35Å; V634-W671 HydrophobicContact CG2-CH2 4.19Å; V634-W671 HydrophobicContact CG2-CZ3 3.85Å; I645-W671 HydrophobicContact CG2-CH2 3.84Å; I645-W671 HydrophobicContact CG2-CZ2 3.59Å; F649-W671 PolarHBondContact O-NE1 2.93Å; G650-W671 WeakPolarHBondContact O-CZ2 3.22Å; G650-W671 PolarHBondContact O-NE1 3.36Å; M652-W671 HydrophobicContact CB-CD2 4.42Å; M652-W671 HydrophobicContact CB-CE3 4.06Å; M652-W671 HydrophobicContact CB-CH2 3.8Å; M652-W671 HydrophobicContact CB-CZ2 4.13Å; M652-W671 HydrophobicContact CB-CZ3 3.75Å; M652-W671 HydrophobicContact CG-CE3 3.91Å; M652-W671 HydrophobicContact CG-CH2 4.41Å; M652-W671 HydrophobicContact CG-CZ3 3.84Å; M652-W671 HydrophobicContact SD-CZ3 4.42Å; P653-W671 VanDerWaalsContact CD-CG 3.45Å; P653-W671 HydrophobicContact CG-CB 3.92Å; P653-W671 HydrophobicContact CG-CG 4.15Å; S667-W671 PolarHBondContact O-N 2.72Å; W671-L673 PolarHBondContact O-N 3.3Å; W671-A674 WeakPolarHBondContact O-CB 3.37Å; W671-A674 PolarHBondContact O-N 2.98Å; W671-V675 HydrophobicContact CD2-CG1 4.15Å; W671-V675 HydrophobicContact CE3-CG1 4.29Å; W671-V675 HydrophobicContact CE3-CG2 3.92Å; W671-V675 HydrophobicContact CH2-CG1 4.15Å; W671-V675 HydrophobicContact CH2-CG2 4.06Å; W671-V675 HydrophobicContact CZ2-CG1 4.03Å; W671-V675 HydrophobicContact CZ3-CG1 4.28Å; W671-V675 HydrophobicContact CZ3-CG2 3.61Å; W671-V675 WeakPolarHBondContact O-CG1 3.42Å; W671-V675 PolarHBondContact O-N 3.32Å; W671-V675 VanDerWaalsContact O-N 3.12Å
672L95.1Very high91.3Very high0 Ų033.7 Ų33.70%019%0.192CC..Hα-helixtrans-62.6-46.2178.7-175.564.9000111.8A630 W633 W668 W670 A674 V675 L676 I699 L703A630-L672 HydrophobicContact CB-CD1 4.3Å; A630-L672 HydrophobicContact CB-CD2 3.59Å; W633-L672 HydrophobicContact CE3-CD1 3.93Å; W633-L672 HydrophobicContact CZ3-CD1 3.78Å; W668-L672 HydrophobicContact CE3-CD2 4.34Å; W668-L672 HydrophobicContact CZ3-CD2 3.93Å; W668-L672 WeakPolarHBondContact O-CB 3.48Å; W668-L672 PolarHBondContact O-N 3.42Å; W670-L672 VanDerWaalsContact C-N 3.3Å; W670-L672 PolarHBondContact O-N 3.22Å; L672-A674 PolarHBondContact O-N 2.83Å; L672-V675 HydrophobicContact CD1-CG2 4.25Å; L672-V675 WeakPolarHBondContact O-CG2 3.46Å; L672-V675 PolarHBondContact O-N 3.42Å; L672-L676 HydrophobicContact CD1-CD1 4.44Å; L672-L676 HydrophobicContact CD1-CD2 4.43Å; L672-L676 HydrophobicContact CD1-CG 4.18Å; L672-L676 HydrophobicContact CG-CD1 3.92Å; L672-L676 HydrophobicContact CG-CG 4.16Å; L672-L676 WeakPolarHBondContact O-CG 3.19Å; L672-L676 PolarHBondContact O-N 2.93Å; L672-I699 HydrophobicContact CD2-CG2 3.54Å; L672-L703 HydrophobicContact CD2-CD1 4.27Å
673L94.6Very high91.5Very high0 Ų032.5 Ų32.50%018%0.181CC..Hα-helixtrans-60.5-30.6176.7-76167000113.3F517 C669 W670 W671 Q683 F686 I699F517-L673 HydrophobicContact CE1-CB 4.35Å; C669-L673 WeakPolarHBondContact O-CB 3.38Å; C669-L673 VanDerWaalsContact O-CG 3.3Å; C669-L673 WeakPolarHBondContact O-CG 3.47Å; C669-L673 PolarHBondContact O-N 3.13Å; W670-L673 HydrophobicContact CE3-CD1 3.83Å; W670-L673 HydrophobicContact CZ3-CD1 3.92Å; W670-L673 PolarHBondContact O-N 3.01Å; W671-L673 PolarHBondContact O-N 3.3Å; L673-Q683 PolarHBondContact O-NE2 2.94Å; L673-F686 HydrophobicContact CD1-CB 3.75Å; L673-F686 HydrophobicContact CD1-CD1 4.39Å; L673-F686 HydrophobicContact CD1-CG 4.25Å; L673-F686 HydrophobicContact CD2-CB 3.93Å; L673-F686 HydrophobicContact CD2-CD1 3.86Å; L673-F686 HydrophobicContact CD2-CD2 3.89Å; L673-F686 HydrophobicContact CD2-CE1 4.29Å; L673-F686 HydrophobicContact CD2-CE2 4.32Å; L673-F686 HydrophobicContact CD2-CG 3.63Å; L673-I699 HydrophobicContact CD1-CD1 4.17Å; L673-I699 HydrophobicContact CD2-CD1 4.41Å; L673-I699 HydrophobicContact CD2-CG1 3.98Å; L673-I699 HydrophobicContact CG-CD1 4.12Å; L673-I699 HydrophobicContact CG-CG1 4.23Å
674A92.7Very high91.6Very high17 Ų1731.5 Ų31.514%0.1417%0.173CC..Hα-helixtrans-75.1-33.8175.900000113.6F517 V520 F649 W670 W671 L672F517-A674 HydrophobicContact CD2-CB 3.79Å; F517-A674 HydrophobicContact CE2-CB 4.11Å; V520-A674 HydrophobicContact CG1-CB 3.97Å; V520-A674 HydrophobicContact CG2-CB 4.25Å; F649-A674 HydrophobicContact CD1-CB 4.3Å; F649-A674 HydrophobicContact CE1-CB 3.95Å; F649-A674 HydrophobicContact CZ-CB 4.46Å; W670-A674 PolarHBondContact O-N 2.9Å; W671-A674 WeakPolarHBondContact O-CB 3.37Å; W671-A674 PolarHBondContact O-N 2.98Å; L672-A674 PolarHBondContact O-N 2.83Å
675V92.5Very high91.6Very high16 Ų1634.6 Ų34.610%0.09719%0.194CC..Hα-helixtrans-92.1-16.9-178.4-53.60000114.1W633 I645 F649 W671 L672W633-V675 HydrophobicContact CH2-CG2 4.4Å; W633-V675 HydrophobicContact CZ3-CG2 4.12Å; I645-V675 HydrophobicContact CD1-CB 4.46Å; I645-V675 HydrophobicContact CG2-CB 4.05Å; I645-V675 HydrophobicContact CG2-CG1 3.5Å; I645-V675 VanDerWaalsContact CG2-CG1 3.5Å; F649-V675 HydrophobicContact CB-CG1 4.26Å; F649-V675 HydrophobicContact CD2-CG1 3.62Å; F649-V675 HydrophobicContact CE2-CG1 4.05Å; F649-V675 HydrophobicContact CG-CG1 3.98Å; W671-V675 HydrophobicContact CD2-CG1 4.15Å; W671-V675 HydrophobicContact CE3-CG1 4.29Å; W671-V675 HydrophobicContact CE3-CG2 3.92Å; W671-V675 HydrophobicContact CH2-CG1 4.15Å; W671-V675 HydrophobicContact CH2-CG2 4.06Å; W671-V675 HydrophobicContact CZ2-CG1 4.03Å; W671-V675 HydrophobicContact CZ3-CG1 4.28Å; W671-V675 HydrophobicContact CZ3-CG2 3.61Å; W671-V675 WeakPolarHBondContact O-CG1 3.42Å; W671-V675 PolarHBondContact O-N 3.32Å; W671-V675 VanDerWaalsContact O-N 3.12Å; L672-V675 HydrophobicContact CD1-CG2 4.25Å; L672-V675 WeakPolarHBondContact O-CG2 3.46Å; L672-V675 PolarHBondContact O-N 3.42Å
676L91.3Very high91.8Very high5 Ų535.7 Ų35.73%0.02620%0.198CC..SBendtrans-65.6135.7172.8-75.1167000109.6W633 L672 L678 V702 L703 M706W633-L676 HydrophobicContact CH2-CD2 3.94Å; W633-L676 HydrophobicContact CZ2-CD2 4.05Å; W633-L676 HydrophobicContact CZ3-CD2 4.22Å; L672-L676 HydrophobicContact CD1-CD1 4.44Å; L672-L676 HydrophobicContact CD1-CD2 4.43Å; L672-L676 HydrophobicContact CD1-CG 4.18Å; L672-L676 HydrophobicContact CG-CD1 3.92Å; L672-L676 HydrophobicContact CG-CG 4.16Å; L672-L676 WeakPolarHBondContact O-CG 3.19Å; L672-L676 PolarHBondContact O-N 2.93Å; L676-L678 HydrophobicContact CB-CD1 4.16Å; L676-L678 HydrophobicContact CB-CG 4.08Å; L676-L678 HydrophobicContact CD1-CD1 4.43Å; L676-L678 PolarHBondContact O-N 2.91Å; L676-V702 HydrophobicContact CD1-CG1 4.11Å; L676-V702 HydrophobicContact CD2-CG1 4.22Å; L676-L703 HydrophobicContact CD2-CD2 4.2Å; L676-M706 HydrophobicContact CD2-SD 3.41Å; L676-M706 WeakPolarHBondContact CD2-SD 3.42Å
677P86.2Confident91.8Very high101 Ų10135.7 Ų35.766%0.65620%0.197SC*.  trans-77.163.3-179.534.3-37.1000111M706P677-M706 VanDerWaalsContact CD-CE 3.42Å; P677-M706 HydrophobicContact CG-CE 3.39Å; P677-M706 HydrophobicContact CG-SD 4.13Å
678L88.1Confident91.9Very high43 Ų4335.5 Ų35.523%0.22520%0.197CC..  trans-104.3139.6176.2-64175.8000109.3L676 Q683 V702L676-L678 HydrophobicContact CB-CD1 4.16Å; L676-L678 HydrophobicContact CB-CG 4.08Å; L676-L678 HydrophobicContact CD1-CD1 4.43Å; L676-L678 PolarHBondContact O-N 2.91Å; L678-Q683 HydrophobicContact CB-CG 3.7Å; L678-Q683 HydrophobicContact CD1-CG 4.31Å; L678-V702 HydrophobicContact CD1-CG1 4.31Å; L678-V702 HydrophobicContact CD1-CG2 4.48Å; L678-V702 HydrophobicContact CD2-CG1 4.04Å; L678-V702 HydrophobicContact CG-CG1 4.48Å
679E87.6Confident92Very high159 Ų15938.2 Ų38.274%0.74321%0.212SC*.  trans-66.3149.8169.3-64.2-177.8177.700110.9R681 A682 Q683E679-R681 PolarHBondContact O-N 2.86Å; E679-R681 VanDerWaalsContact O-N 3.12Å; E679-A682 WeakPolarHBondContact O-CA 3.41Å; E679-A682 WeakPolarHBondContact O-CB 3.49Å; E679-A682 PolarHBondContact O-N 3.31Å; E679-Q683 PolarHBondContact O-N 3.11Å
680G83.8Confident92Very high18 Ų1840.7 Ų40.719%0.18623%0.227CC..Hα-helixtrans-55.3-35.6-176.500000114.1A682 Q683 L684G680-A682 VanDerWaalsContact C-N 3.3Å; G680-A682 PolarHBondContact O-N 3.23Å; G680-Q683 PolarHBondContact O-N 3.38Å; G680-L684 PolarHBondContact O-N 2.75Å
681R87.1Confident92Very high149 Ų14942.1 Ų42.156%0.56224%0.237SC*.Hα-helixtrans-66.3-28.8175.4-65.6-170-177.8-165.43.5113L550 D553 E679 P685L550-R681 HydrophobicContact CD2-CG 4.12Å; D553-R681 IonicContact OD2-CZ 3.95Å; D553-R681 IonicContact OD2-NH2 2.78Å; D553-R681 PolarHBondContact OD2-NH2 2.79Å; E679-R681 PolarHBondContact O-N 2.86Å; E679-R681 VanDerWaalsContact O-N 3.12Å; R681-P685 WeakPolarHBondContact O-CD 3.43Å
682A90.1Very high91.9Very high49 Ų4942.1 Ų42.141%0.40524%0.238SC..Hα-helixtrans-82.5-25.3173.900000112.9E679 G680 F686E679-A682 WeakPolarHBondContact O-CA 3.41Å; E679-A682 WeakPolarHBondContact O-CB 3.49Å; E679-A682 PolarHBondContact O-N 3.31Å; G680-A682 VanDerWaalsContact C-N 3.3Å; G680-A682 PolarHBondContact O-N 3.23Å; A682-F686 WeakPolarHBondContact O-CD2 3.37Å
683Q92Very high91.9Very high18 Ų1846 Ų468%0.08426%0.255CS..Hα-helixtrans-76.3-33.6172.6-68.5173.1-38.100112.9M515 F517 L673 L678 E679 G680 F686 L687M515-Q683 HydrophobicContact CE-CB 4.39Å; M515-Q683 HydrophobicContact CG-CB 4.32Å; F517-Q683 HydrophobicContact CE1-CB 4.38Å; F517-Q683 HydrophobicContact CZ-CB 3.89Å; F517-Q683 HydrophobicContact CZ-CG 4.13Å; L673-Q683 PolarHBondContact O-NE2 2.94Å; L678-Q683 HydrophobicContact CB-CG 3.7Å; L678-Q683 HydrophobicContact CD1-CG 4.31Å; E679-Q683 PolarHBondContact O-N 3.11Å; G680-Q683 PolarHBondContact O-N 3.38Å; Q683-F686 WeakPolarHBondContact O-CB 3.29Å; Q683-F686 PolarHBondContact O-N 3.02Å; Q683-L687 PolarHBondContact O-N 2.96Å
684L92.3Very high92Very high33 Ų3350.1 Ų50.117%0.17328%0.277CS..Hα-helixtrans-51.5-43.8-174.7-176.867.5000114.9M515 V558 G680 F686 L687 A688M515-L684 HydrophobicContact CE-CB 4.28Å; M515-L684 HydrophobicContact CE-CD1 4.02Å; M515-L684 HydrophobicContact SD-CB 4.48Å; M515-L684 HydrophobicContact SD-CD1 4.2Å; V558-L684 HydrophobicContact CB-CD1 4.32Å; V558-L684 HydrophobicContact CB-CD2 3.81Å; V558-L684 HydrophobicContact CG1-CD2 3.94Å; V558-L684 HydrophobicContact CG2-CD1 3.7Å; V558-L684 HydrophobicContact CG2-CD2 4.06Å; G680-L684 PolarHBondContact O-N 2.75Å; L684-F686 VanDerWaalsContact C-N 3.28Å; L684-F686 PolarHBondContact O-N 3.42Å; L684-L687 WeakPolarHBondContact O-CB 3.26Å; L684-L687 PolarHBondContact O-N 3.26Å; L684-L687 VanDerWaalsContact O-N 3.13Å; L684-A688 PolarHBondContact O-N 2.8Å
685P93.9Very high92.1Very high76 Ų7649.3 Ų49.349%0.49427%0.27SS..Hα-helixtrans-58.9-36.8175.6-25.335.8000113.3R681 L687 A688 L689R681-P685 WeakPolarHBondContact O-CD 3.43Å; P685-L687 VanDerWaalsContact C-N 3.28Å; P685-L687 PolarHBondContact O-N 3.13Å; P685-A688 PolarHBondContact O-N 2.71Å; P685-L689 WeakPolarHBondContact O-CG 3.27Å; P685-L689 PolarHBondContact O-N 2.97Å; P685-L689 VanDerWaalsContact O-N 3.11Å
686F94.6Very high92.3Very high25 Ų2548.6 Ų48.611%0.1127%0.265CS..Hα-helixtrans-66.5-29.6178-68.2-84000113L673 A682 Q683 L684 R695 I699 V702L673-F686 HydrophobicContact CD1-CB 3.75Å; L673-F686 HydrophobicContact CD1-CD1 4.39Å; L673-F686 HydrophobicContact CD1-CG 4.25Å; L673-F686 HydrophobicContact CD2-CB 3.93Å; L673-F686 HydrophobicContact CD2-CD1 3.86Å; L673-F686 HydrophobicContact CD2-CD2 3.89Å; L673-F686 HydrophobicContact CD2-CE1 4.29Å; L673-F686 HydrophobicContact CD2-CE2 4.32Å; L673-F686 HydrophobicContact CD2-CG 3.63Å; A682-F686 WeakPolarHBondContact O-CD2 3.37Å; Q683-F686 WeakPolarHBondContact O-CB 3.29Å; Q683-F686 PolarHBondContact O-N 3.02Å; L684-F686 VanDerWaalsContact C-N 3.28Å; L684-F686 PolarHBondContact O-N 3.42Å; F686-R695 HydrophobicContact CD1-CG 4.05Å; F686-R695 PolarHBondContact O-NH1 3.41Å; F686-I699 HydrophobicContact CD1-CG1 4.33Å; F686-I699 HydrophobicContact CE1-CG1 4.07Å; F686-V702 HydrophobicContact CZ-CG2 4.15Å
687L93.7Very high92.5Very high2 Ų250.1 Ų50.11%0.0128%0.276CS..Hα-helixtrans-70.8-41.3174.3-165.271.7000110.9M515 F517 R586 W670 Q683 L684 P685M515-L687 HydrophobicContact CE-CB 4.13Å; M515-L687 HydrophobicContact CE-CD2 3.74Å; M515-L687 HydrophobicContact CE-CG 4.49Å; F517-L687 HydrophobicContact CD1-CD1 3.88Å; F517-L687 HydrophobicContact CE1-CD1 4.37Å; R586-L687 WeakPolarHBondContact CD-O 3.43Å; R586-L687 HydrophobicContact CG-CD1 3.77Å; R586-L687 HydrophobicContact CG-CG 4.33Å; R586-L687 PolarHBondContact NH1-O 3.27Å; W670-L687 HydrophobicContact CZ3-CD1 4.13Å; Q683-L687 PolarHBondContact O-N 2.96Å; L684-L687 WeakPolarHBondContact O-CB 3.26Å; L684-L687 PolarHBondContact O-N 3.26Å; L684-L687 VanDerWaalsContact O-N 3.13Å; P685-L687 VanDerWaalsContact C-N 3.28Å; P685-L687 PolarHBondContact O-N 3.13Å
688A94.9Very high92.9Very high24 Ų2446 Ų4620%0.19825%0.253CS..Hα-helixtrans-73.1-24-177.800000114.8Y560 L684 P685 T690Y560-A688 HydrophobicContact CD1-CB 3.77Å; Y560-A688 HydrophobicContact CD2-CB 3.92Å; Y560-A688 HydrophobicContact CE1-CB 3.77Å; Y560-A688 HydrophobicContact CE2-CB 3.94Å; Y560-A688 HydrophobicContact CG-CB 3.85Å; L684-A688 PolarHBondContact O-N 2.8Å; P685-A688 PolarHBondContact O-N 2.71Å; A688-T690 PolarHBondContact O-N 3.32Å
689L95.7Very high93.3Very high57 Ų5744 Ų4430%0.29824%0.242SC..  trans-63.8127.2-179.8-78172.1000112.6R586 P685 D694 R695R586-L689 PolarHBondContact NH1-O 2.72Å; P685-L689 WeakPolarHBondContact O-CG 3.27Å; P685-L689 PolarHBondContact O-N 2.97Å; P685-L689 VanDerWaalsContact O-N 3.11Å; L689-D694 HydrophobicContact CD1-CB 4.32Å; L689-D694 HydrophobicContact CD2-CB 4.24Å; L689-R695 HydrophobicContact CD1-CB 4.34Å; L689-R695 PolarHBondContact O-NH1 2.91Å; L689-R695 PolarHBondContact O-NH2 2.96Å; L689-R695 VanDerWaalsContact O-NH2 3.13Å
690T95.1Very high93.6Very high52 Ų5241.3 Ų41.332%0.31923%0.225SC..  trans-97-0.7170.155.60000113.1L606 E607 D608 V609 A688L606-T690 HydrophobicContact CD2-CG2 4.46Å; E607-T690 WeakPolarHBondContact O-CB 3.22Å; E607-T690 WeakPolarHBondContact O-CG2 3.47Å; D608-T690 CarbonylContact C-O 3.59Å; D608-T690 VanDerWaalsContact CA-O 3.29Å; D608-T690 WeakPolarHBondContact CA-O 3.47Å; V609-T690 PolarHBondContact N-O 2.99Å; A688-T690 PolarHBondContact O-N 3.32Å
691S95.5Very high94.1Very high31 Ų3147.7 Ų47.722%0.21725%0.248CC..  trans-101.7112.4175.21680000110.2K693 D694 R695S691-K693 VanDerWaalsContact C-N 3.28Å; S691-K693 PolarHBondContact O-N 3.02Å; S691-D694 WeakPolarHBondContact CB-OD2 2.86Å; S691-D694 PolarHBondContact O-N 2.67Å; S691-D694 VanDerWaalsContact OG-CG 3.26Å; S691-D694 PolarHBondContact OG-N 2.67Å; S691-D694 PolarHBondContact OG-OD2 3.43Å; S691-R695 PolarHBondContact O-N 2.76Å
692L94.2Very high94.4Very high9 Ų941.8 Ų41.85%0.04723%0.229CC..Hα-helixtrans-64.7-34.1176.8-177.759000111.7L619 L659 P666 D694 R695 L696L619-L692 HydrophobicContact CD1-CB 4.35Å; L619-L692 HydrophobicContact CD1-CD2 4.39Å; L619-L692 HydrophobicContact CD1-CG 4.14Å; L619-L692 HydrophobicContact CD2-CD2 4.26Å; L659-L692 HydrophobicContact CB-CD2 4.42Å; P666-L692 HydrophobicContact CG-CD1 4.49Å; P666-L692 HydrophobicContact CG-CD2 4.09Å; L692-D694 VanDerWaalsContact C-N 3.33Å; L692-D694 PolarHBondContact O-N 3.24Å; L692-R695 PolarHBondContact O-N 3.31Å; L692-L696 HydrophobicContact CD1-CD1 4.19Å; L692-L696 HydrophobicContact CD1-CG 4.07Å; L692-L696 HydrophobicContact CG-CD1 3.91Å; L692-L696 HydrophobicContact CG-CG 4.29Å; L692-L696 WeakPolarHBondContact O-CB 3.4Å; L692-L696 VanDerWaalsContact O-CG 3.3Å; L692-L696 WeakPolarHBondContact O-CG 3.29Å; L692-L696 PolarHBondContact O-N 2.99Å
693K94.8Very high94.5Very high82 Ų8239.8 Ų39.836%0.35721%0.211SC..Hα-helixtrans-60-42.8175.8-167.9174.4-172.5169.50111.4E618 L619 L622 S691 S697E618-K693 IonicContact OE2-NZ 2.95Å; E618-K693 PolarHBondContact OE2-NZ 3.13Å; L619-K693 HydrophobicContact CD1-CB 4.04Å; L622-K693 HydrophobicContact CD2-CG 3.96Å; S691-K693 VanDerWaalsContact C-N 3.28Å; S691-K693 PolarHBondContact O-N 3.02Å; K693-S697 VanDerWaalsContact O-CB 3.27Å; K693-S697 WeakPolarHBondContact O-CB 3.23Å; K693-S697 PolarHBondContact O-N 2.64Å; K693-S697 PolarHBondContact O-OG 2.85Å
694D95.6Very high94.4Very high86 Ų8642.4 Ų42.446%0.4623%0.225SC..Hα-helixtrans-74.2-38.4178.6-63.5-49000111.8L689 S691 L692 S697 G698L689-D694 HydrophobicContact CD1-CB 4.32Å; L689-D694 HydrophobicContact CD2-CB 4.24Å; S691-D694 WeakPolarHBondContact CB-OD2 2.86Å; S691-D694 PolarHBondContact O-N 2.67Å; S691-D694 VanDerWaalsContact OG-CG 3.26Å; S691-D694 PolarHBondContact OG-N 2.67Å; S691-D694 PolarHBondContact OG-OD2 3.43Å; L692-D694 VanDerWaalsContact C-N 3.33Å; L692-D694 PolarHBondContact O-N 3.24Å; D694-S697 PolarHBondContact O-N 2.78Å; D694-G698 PolarHBondContact O-N 3.25Å
695R95.7Very high94.2Very high1 Ų147.3 Ų47.30%0.00425%0.246CC..Hα-helixtrans-59.3-50.6174.5-157.5-162-39.3-60-7.7111.1D608 W670 F686 L689 S691 L692 S697 G698 I699D608-R695 IonicContact OD1-CZ 3.03Å; D608-R695 IonicContact OD1-NH2 3.09Å; D608-R695 PolarHBondContact OD1-NH2 2.93Å; D608-R695 IonicContact OD2-CZ 3.89Å; D608-R695 IonicContact OD2-NH2 3.87Å; D608-R695 PolarHBondContact OD2-NH2 3.08Å; W670-R695 VanDerWaalsContact CH2-CZ 3.48Å; W670-R695 VanDerWaalsContact CH2-NH1 3.31Å; F686-R695 HydrophobicContact CD1-CG 4.05Å; F686-R695 PolarHBondContact O-NH1 3.41Å; L689-R695 HydrophobicContact CD1-CB 4.34Å; L689-R695 PolarHBondContact O-NH1 2.91Å; L689-R695 PolarHBondContact O-NH2 2.96Å; L689-R695 VanDerWaalsContact O-NH2 3.13Å; S691-R695 PolarHBondContact O-N 2.76Å; L692-R695 PolarHBondContact O-N 3.31Å; R695-S697 PolarHBondContact O-N 2.72Å; R695-G698 PolarHBondContact O-N 3.42Å; R695-I699 HydrophobicContact CG-CD1 4.26Å; R695-I699 WeakPolarHBondContact O-CG1 3.33Å; R695-I699 PolarHBondContact O-N 3.45Å
696L95.9Very high93.8Very high0 Ų045.6 Ų45.60%023%0.231CC..Hα-helixtrans-61.5-41.8176.6-72.4168.1000111.9L619 L622 H623 V626 W668 L692 G698 I699 R700L619-L696 HydrophobicContact CD1-CD1 3.77Å; L622-L696 HydrophobicContact CD2-CB 3.98Å; L622-L696 HydrophobicContact CG-CB 4.15Å; H623-L696 HydrophobicContact CB-CD1 3.86Å; V626-L696 HydrophobicContact CB-CD2 4.32Å; V626-L696 HydrophobicContact CG1-CD2 4.3Å; W668-L696 HydrophobicContact CH2-CD2 3.75Å; W668-L696 HydrophobicContact CZ2-CD2 3.79Å; L692-L696 HydrophobicContact CD1-CD1 4.19Å; L692-L696 HydrophobicContact CD1-CG 4.07Å; L692-L696 HydrophobicContact CG-CD1 3.91Å; L692-L696 HydrophobicContact CG-CG 4.29Å; L692-L696 WeakPolarHBondContact O-CB 3.4Å; L692-L696 VanDerWaalsContact O-CG 3.3Å; L692-L696 WeakPolarHBondContact O-CG 3.29Å; L692-L696 PolarHBondContact O-N 2.99Å; L696-G698 VanDerWaalsContact C-N 3.34Å; L696-G698 PolarHBondContact O-N 2.92Å; L696-I699 PolarHBondContact O-N 2.93Å; L696-R700 WeakPolarHBondContact O-CB 3.44Å; L696-R700 PolarHBondContact O-N 3.33Å
697S96.1Very high93.1Very high37 Ų3747.8 Ų47.826%0.25925%0.25SC..Hα-helixtrans-64.2-37.3176.9-630000112.5K693 D694 R695 K701K693-S697 VanDerWaalsContact O-CB 3.27Å; K693-S697 WeakPolarHBondContact O-CB 3.23Å; K693-S697 PolarHBondContact O-N 2.64Å; K693-S697 PolarHBondContact O-OG 2.85Å; D694-S697 PolarHBondContact O-N 2.78Å; R695-S697 PolarHBondContact O-N 2.72Å; S697-K701 WeakPolarHBondContact O-CG 3.49Å; S697-K701 PolarHBondContact O-N 3.22Å
698G94.8Very high92.2Very high16 Ų1655 Ų5517%0.16528%0.283CS..Hα-helixtrans-68.5-46.9173.300000112.4D694 R695 L696 R700 K701 V702D694-G698 PolarHBondContact O-N 3.25Å; R695-G698 PolarHBondContact O-N 3.42Å; L696-G698 VanDerWaalsContact C-N 3.34Å; L696-G698 PolarHBondContact O-N 2.92Å; G698-R700 VanDerWaalsContact C-N 3.28Å; G698-R700 PolarHBondContact O-N 3.47Å; G698-K701 WeakPolarHBondContact O-CB 3.33Å; G698-K701 PolarHBondContact O-N 2.78Å; G698-K701 VanDerWaalsContact O-N 3.1Å; G698-V702 PolarHBondContact O-N 2.87Å; G698-V702 VanDerWaalsContact O-N 3.08Å
699I95.3Very high90.5Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-55.9-45.2175.4-72.9167.7000110.1V626 C669 L672 L673 F686 R695 L696 K701 V702 L703V626-I699 HydrophobicContact CG1-CB 4.39Å; V626-I699 HydrophobicContact CG1-CG2 3.75Å; C669-I699 HydrophobicContact CB-CD1 4.14Å; L672-I699 HydrophobicContact CD2-CG2 3.54Å; L673-I699 HydrophobicContact CD1-CD1 4.17Å; L673-I699 HydrophobicContact CD2-CD1 4.41Å; L673-I699 HydrophobicContact CD2-CG1 3.98Å; L673-I699 HydrophobicContact CG-CD1 4.12Å; L673-I699 HydrophobicContact CG-CG1 4.23Å; F686-I699 HydrophobicContact CD1-CG1 4.33Å; F686-I699 HydrophobicContact CE1-CG1 4.07Å; R695-I699 HydrophobicContact CG-CD1 4.26Å; R695-I699 WeakPolarHBondContact O-CG1 3.33Å; R695-I699 PolarHBondContact O-N 3.45Å; L696-I699 PolarHBondContact O-N 2.93Å; I699-K701 VanDerWaalsContact C-N 3.34Å; I699-K701 PolarHBondContact O-N 3.05Å; I699-V702 PolarHBondContact O-N 2.96Å; I699-V702 VanDerWaalsContact O-N 3.16Å; I699-L703 HydrophobicContact CG2-CD1 4.01Å; I699-L703 HydrophobicContact CG2-CG 4.41Å; I699-L703 WeakPolarHBondContact O-CG 3.37Å; I699-L703 PolarHBondContact O-N 2.85Å
700R95.5Very high88.6Confident102 Ų10260 Ų6039%0.38530%0.303SS..Hα-helixtrans-57.2-44176.2-167.5177.1175.1-179.3-4.7112.6V626 L696 G698 V702 L703 L704V626-R700 HydrophobicContact CG1-CB 4.45Å; V626-R700 HydrophobicContact CG2-CB 3.77Å; V626-R700 HydrophobicContact CG2-CG 3.99Å; L696-R700 WeakPolarHBondContact O-CB 3.44Å; L696-R700 PolarHBondContact O-N 3.33Å; G698-R700 VanDerWaalsContact C-N 3.28Å; G698-R700 PolarHBondContact O-N 3.47Å; R700-V702 VanDerWaalsContact C-N 3.35Å; R700-L703 PolarHBondContact O-N 3.47Å; R700-L704 HydrophobicContact CG-CD1 4.22Å; R700-L704 WeakPolarHBondContact O-CB 3.21Å; R700-L704 VanDerWaalsContact O-CG 3.28Å; R700-L704 WeakPolarHBondContact O-CG 3.49Å; R700-L704 PolarHBondContact O-N 3.12Å
701K93.6Very high86.2Confident152 Ų15263.3 Ų63.366%0.66133%0.326SS*.Hα-helixtrans-62.9-40.6177-70.9170.3-175.81780111.7S697 G698 I699 L704 F705S697-K701 WeakPolarHBondContact O-CG 3.49Å; S697-K701 PolarHBondContact O-N 3.22Å; G698-K701 WeakPolarHBondContact O-CB 3.33Å; G698-K701 PolarHBondContact O-N 2.78Å; G698-K701 VanDerWaalsContact O-N 3.1Å; I699-K701 VanDerWaalsContact C-N 3.34Å; I699-K701 PolarHBondContact O-N 3.05Å; K701-L704 PolarHBondContact O-N 3.08Å; K701-F705 PolarHBondContact O-N 3.05Å
702V93.2Very high83.4Confident26 Ų2677.1 Ų77.116%0.15837%0.373CS..Hα-helixtrans-63.8-47175.6177.40000111.2L676 L678 F686 G698 I699 R700 L704 F705 M706L676-V702 HydrophobicContact CD1-CG1 4.11Å; L676-V702 HydrophobicContact CD2-CG1 4.22Å; L678-V702 HydrophobicContact CD1-CG1 4.31Å; L678-V702 HydrophobicContact CD1-CG2 4.48Å; L678-V702 HydrophobicContact CD2-CG1 4.04Å; L678-V702 HydrophobicContact CG-CG1 4.48Å; F686-V702 HydrophobicContact CZ-CG2 4.15Å; G698-V702 PolarHBondContact O-N 2.87Å; G698-V702 VanDerWaalsContact O-N 3.08Å; I699-V702 PolarHBondContact O-N 2.96Å; I699-V702 VanDerWaalsContact O-N 3.16Å; R700-V702 VanDerWaalsContact C-N 3.35Å; V702-L704 VanDerWaalsContact C-N 3.33Å; V702-L704 PolarHBondContact O-N 2.87Å; V702-F705 PolarHBondContact O-N 2.85Å; V702-M706 HydrophobicContact CG1-CG 4.35Å; V702-M706 HydrophobicContact CG1-SD 4.24Å; V702-M706 WeakPolarHBondContact O-CB 3.22Å; V702-M706 WeakPolarHBondContact O-CG 3.41Å; V702-M706 PolarHBondContact O-N 2.84Å
703L92.6Very high82.8Confident7 Ų780.6 Ų80.64%0.03739%0.39CS..Hα-helixtrans-61-39.1177.2-69.2172.4000112.6V626 Q629 A630 W633 L672 L676 I699 R700 M706 S707V626-L703 HydrophobicContact CG1-CD1 4.3Å; Q629-L703 HydrophobicContact CB-CD1 4.22Å; A630-L703 HydrophobicContact CB-CD1 4.04Å; W633-L703 HydrophobicContact CB-CD2 4.02Å; W633-L703 HydrophobicContact CD2-CD2 4.04Å; W633-L703 HydrophobicContact CE3-CD2 4.29Å; W633-L703 HydrophobicContact CG-CD2 3.9Å; L672-L703 HydrophobicContact CD2-CD1 4.27Å; L676-L703 HydrophobicContact CD2-CD2 4.2Å; I699-L703 HydrophobicContact CG2-CD1 4.01Å; I699-L703 HydrophobicContact CG2-CG 4.41Å; I699-L703 WeakPolarHBondContact O-CG 3.37Å; I699-L703 PolarHBondContact O-N 2.85Å; R700-L703 PolarHBondContact O-N 3.47Å; L703-M706 PolarHBondContact O-N 3.03Å; L703-S707 WeakPolarHBondContact O-CB 3.2Å; L703-S707 PolarHBondContact O-N 3.41Å; L703-S707 PolarHBondContact O-OG 2.94Å
704L90.5Very high82.2Confident73 Ų7380.5 Ų80.538%0.38239%0.391SS..Hα-helixtrans-65.3-44.3175.1-72.7170000111.8R700 K701 V702 S707 Q708R700-L704 HydrophobicContact CG-CD1 4.22Å; R700-L704 WeakPolarHBondContact O-CB 3.21Å; R700-L704 VanDerWaalsContact O-CG 3.28Å; R700-L704 WeakPolarHBondContact O-CG 3.49Å; R700-L704 PolarHBondContact O-N 3.12Å; K701-L704 PolarHBondContact O-N 3.08Å; V702-L704 VanDerWaalsContact C-N 3.33Å; V702-L704 PolarHBondContact O-N 2.87Å; L704-S707 WeakPolarHBondContact CA-OG 3.06Å; L704-S707 PolarHBondContact O-N 2.81Å; L704-S707 PolarHBondContact O-OG 2.92Å; L704-Q708 VanDerWaalsContact O-CG 3.3Å; L704-Q708 WeakPolarHBondContact O-CG 3.35Å; L704-Q708 PolarHBondContact O-N 3.35Å; L704-Q708 VanDerWaalsContact O-N 3.16Å
705F88Confident81.5Confident136 Ų13680.2 Ų80.260%0.59639%0.388SS*.Hα-helixtrans-60.3-48.8174.5-179.4-102.6000111.4K701 V702 S707 Q708 S709K701-F705 PolarHBondContact O-N 3.05Å; V702-F705 PolarHBondContact O-N 2.85Å; F705-S707 VanDerWaalsContact C-N 3.31Å; F705-S707 PolarHBondContact O-N 2.83Å; F705-Q708 PolarHBondContact O-N 2.93Å; F705-Q708 VanDerWaalsContact O-N 3.11Å; F705-S709 PolarHBondContact O-N 3.4Å; F705-S709 PolarHBondContact O-OG 2.87Å
706M84.7Confident80.6Confident40 Ų4084.8 Ų84.820%0.19741%0.41CS..Hα-helixtrans-64.6-29.5-179.7-72.6-166.572.900114.8W633 L676 P677 V702 L703W633-M706 HydrophobicContact CZ2-CE 3.64Å; W633-M706 HydrophobicContact CZ2-SD 4.18Å; L676-M706 HydrophobicContact CD2-SD 3.41Å; L676-M706 WeakPolarHBondContact CD2-SD 3.42Å; P677-M706 VanDerWaalsContact CD-CE 3.42Å; P677-M706 HydrophobicContact CG-CE 3.39Å; P677-M706 HydrophobicContact CG-SD 4.13Å; V702-M706 HydrophobicContact CG1-CG 4.35Å; V702-M706 HydrophobicContact CG1-SD 4.24Å; V702-M706 WeakPolarHBondContact O-CB 3.22Å; V702-M706 WeakPolarHBondContact O-CG 3.41Å; V702-M706 PolarHBondContact O-N 2.84Å; L703-M706 PolarHBondContact O-N 3.03Å
707S79.6Confident79.7Confident71 Ų7190.1 Ų90.150%0.49744%0.436SS..Hα-helixtrans-78.4-26175.150.60000112.5L703 L704 F705L703-S707 WeakPolarHBondContact O-CB 3.2Å; L703-S707 PolarHBondContact O-N 3.41Å; L703-S707 PolarHBondContact O-OG 2.94Å; L704-S707 WeakPolarHBondContact CA-OG 3.06Å; L704-S707 PolarHBondContact O-N 2.81Å; L704-S707 PolarHBondContact O-OG 2.92Å; F705-S707 VanDerWaalsContact C-N 3.31Å; F705-S707 PolarHBondContact O-N 2.83Å
708Q74.9Confident78.6Confident152 Ų15293.7 Ų93.771%0.7145%0.448SS*.Hα-helixtrans-80.7-30.1173.2-68.8171.512.700113.3L704 F705 R710L704-Q708 VanDerWaalsContact O-CG 3.3Å; L704-Q708 WeakPolarHBondContact O-CG 3.35Å; L704-Q708 PolarHBondContact O-N 3.35Å; L704-Q708 VanDerWaalsContact O-N 3.16Å; F705-Q708 PolarHBondContact O-N 2.93Å; F705-Q708 VanDerWaalsContact O-N 3.11Å; Q708-R710 PolarHBondContact O-N 2.87Å
709S59.8Low77.4Confident67 Ų6799.2 Ų99.247%0.46947%0.468SS..SBendtrans-84.76.4-174.9-550000115.8F705 P711F705-S709 PolarHBondContact O-N 3.4Å; F705-S709 PolarHBondContact O-OG 2.87Å; S709-P711 WeakPolarHBondContact O-CD 3.4Å
710R55.5Low76Confident119 Ų119106.8 Ų106.845%0.44950%0.504SS..  trans-78.2119.8172.7-71.4-172.1-179.8-168.83.5109.9S636 Q708S636-R710 PolarHBondContact O-NH1 3.08Å; S636-R710 PolarHBondContact O-NH2 3.39Å; S636-R710 PolarHBondContact OG-NH1 2.59Å; S636-R710 PolarHBondContact OG-NH2 3.46Å; Q708-R710 PolarHBondContact O-N 2.87Å
711P44.5Very low74.4Confident123 Ų123107.3 Ų107.380%0.79951%0.514SS*.  trans-62.3145.316528.7-33.1000109.3S709S709-P711 WeakPolarHBondContact O-CD 3.4Å
712R36.1Very low72.7Confident321 Ų321103.2 Ų103.2100%1.21150%0.5SS*.  trans-66.90177.6-75.5-176.4173.7-177.5-2.2112

Retrieved 712 of 712 residues in 996.1 ms (Link to these results)

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