A0A077ZLD8_TRITR Loading...

60S ribosome subunit biogenesis protein NIP7 homolog

Required for proper 34S pre-rRNA processing and 60S ribosome subunit assembly.

AlphaFold DB , UniProt , Accession A0A077ZLD8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 874 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
1M35.4Very low46.7Very low188 Ų188116.7 Ų116.793%0.92658%0.581SS**  0128.30-98.6169.5169.200108.6I3M1-I3 PolarHBondContact O-N 3.02Å
2N35Very low49.1Very low123 Ų123115.2 Ų115.266%0.65856%0.563SS**  trans-61.4118.2171.8-94.9-35.8000108.1R4 L5N2-R4 HydrophobicContact CB-CB 4.49Å; N2-R4 PolarHBondContact O-N 3.37Å; N2-L5 PolarHBondContact O-N 3.3Å
3I40.2Very low51.4Low35 Ų35116.7 Ų116.718%0.17958%0.575CS.*G310 helixtrans-50.7-26.4176.2-75.5164.1000112.1M1 L5 I6 V7 I46 K50M1-I3 PolarHBondContact O-N 3.02Å; I3-L5 PolarHBondContact O-N 3.29Å; I3-I6 PolarHBondContact O-N 3.36Å; I3-V7 PolarHBondContact O-N 3.12Å; I3-I46 HydrophobicContact CD1-CG2 4.07Å; I3-I46 HydrophobicContact CG2-CG2 4.28Å; I3-K50 HydrophobicContact CD1-CB 3.58Å; I3-K50 HydrophobicContact CD1-CG 4.15Å
4R35.6Very low53.4Low161 Ų161108.9 Ų108.961%0.60854%0.536SS*.G310 helixtrans-53.6-30.1172.1-72.6-173.5172.4-170.1-5.8114.8N2 D16N2-R4 HydrophobicContact CB-CB 4.49Å; N2-R4 PolarHBondContact O-N 3.37Å; R4-D16 IonicContact CZ-OD1 2.85Å; R4-D16 IonicContact NH2-OD1 3.64Å; R4-D16 PolarHBondContact NH2-OD1 3.43Å; R4-D16 IonicContact NH2-OD2 3.87Å; R4-D16 PolarHBondContact NH2-OD2 2.82Å
5L35.7Very low55.4Low152 Ų152102 Ų10280%0.79650%0.502SS*.G310 helixtrans-78-23177.8-82.7160.6000112.7N2 I3N2-L5 PolarHBondContact O-N 3.3Å; I3-L5 PolarHBondContact O-N 3.29Å
6I41.2Very low57.1Low86 Ų8698.4 Ų98.444%0.44149%0.485SS..THydrogen-bonded Turntrans-88.3-33.2-176.3-57.6176000110.5I3I3-I6 PolarHBondContact O-N 3.36Å
7V42.9Very low58.8Low61 Ų61100 Ų10037%0.3749%0.489SS..  trans-139.4113.5-179.6-158.60000109.4I3 L9I3-V7 PolarHBondContact O-N 3.12Å; V7-L9 HydrophobicContact CB-CD1 4.07Å; V7-L9 HydrophobicContact CB-CG 3.85Å; V7-L9 HydrophobicContact CG1-CD1 4.05Å; V7-L9 HydrophobicContact CG1-CD2 3.64Å; V7-L9 HydrophobicContact CG1-CG 3.5Å; V7-L9 PolarHBondContact O-N 3.13Å
8Q45.7Very low60.3Low202 Ų20294.4 Ų94.494%0.94446%0.462SS*.  trans-65.786165.1-94.1-175.4-24.500108.5
9L60.1Low61.6Low69 Ų6991.5 Ų91.536%0.36145%0.448SS..  trans-98.5126.7174.4-67.8169.6000109.1V7 L11 L42 I46V7-L9 HydrophobicContact CB-CD1 4.07Å; V7-L9 HydrophobicContact CB-CG 3.85Å; V7-L9 HydrophobicContact CG1-CD1 4.05Å; V7-L9 HydrophobicContact CG1-CD2 3.64Å; V7-L9 HydrophobicContact CG1-CG 3.5Å; V7-L9 PolarHBondContact O-N 3.13Å; L9-L11 VanDerWaalsContact C-N 3.29Å; L9-L11 HydrophobicContact CB-CD2 3.99Å; L9-L11 HydrophobicContact CB-CG 4.12Å; L9-L11 HydrophobicContact CD1-CD2 4.49Å; L9-L11 PolarHBondContact O-N 3.12Å; L9-L42 HydrophobicContact CD1-CD1 4.49Å; L9-I46 HydrophobicContact CD1-CD1 4.08Å; L9-I46 HydrophobicContact CD1-CG1 4.27Å
10N67.1Low62.7Low174 Ų17490 Ų9093%0.9345%0.447SS*.  trans-74.187.7164.4-89-25.1000108.8
11L75.1Confident63.7Low33 Ų3387.1 Ų87.117%0.17344%0.435CS..  trans-77.3143.7176.2-62.2176.9000110.6L9 Q15 D16 L19 L42 I46L9-L11 VanDerWaalsContact C-N 3.29Å; L9-L11 HydrophobicContact CB-CD2 3.99Å; L9-L11 HydrophobicContact CB-CG 4.12Å; L9-L11 HydrophobicContact CD1-CD2 4.49Å; L9-L11 PolarHBondContact O-N 3.12Å; L11-Q15 HydrophobicContact CB-CB 4.33Å; L11-D16 WeakPolarHBondContact CD1-OD1 3.29Å; L11-L19 HydrophobicContact CD1-CD1 3.8Å; L11-L42 HydrophobicContact CD2-CD2 4.06Å; L11-I46 HydrophobicContact CD2-CD1 3.65Å
12R75.7Confident65.9Low98 Ų9881.9 Ų81.937%0.3742%0.417SS..  trans-70.4148.4170-61.5177.8-178.5-177.4-3.9109W14 Q15 D16 G37 G38R12-W14 PolarHBondContact O-N 3.46Å; R12-Q15 HydrophobicContact CB-CG 4.24Å; R12-Q15 WeakPolarHBondContact O-CA 3.4Å; R12-Q15 WeakPolarHBondContact O-CB 3.22Å; R12-Q15 PolarHBondContact O-N 3.38Å; R12-D16 PolarHBondContact O-N 2.87Å; R12-D16 VanDerWaalsContact O-N 3.15Å; R12-G37 PolarHBondContact NH1-O 2.91Å; R12-G37 VanDerWaalsContact NH1-O 3.15Å; R12-G38 VanDerWaalsContact NH1-C 3.3Å; R12-G38 PolarHBondContact NH1-O 3.27Å
13N78.3Confident68.3Low135 Ų13576 Ų7672%0.72239%0.386SS*.Hα-helixtrans-50.2-39.3-180-69.9-13.8000113.7D16 K17N13-D16 PolarHBondContact O-N 2.79Å; N13-K17 WeakPolarHBondContact O-CG 3.37Å; N13-K17 PolarHBondContact O-N 3.46Å
14W80Confident70.4Confident8 Ų874.4 Ų74.43%0.0338%0.378CS..Hα-helixtrans-71.7-32.4178.574.5-99.3000112.4R12 D16 K17 V18 L34 G38 L43 F191 H193 F195R12-W14 PolarHBondContact O-N 3.46Å; W14-D16 VanDerWaalsContact C-N 3.32Å; W14-K17 WeakPolarHBondContact O-CB 3.48Å; W14-K17 PolarHBondContact O-N 3.02Å; W14-V18 HydrophobicContact CE3-CG2 3.95Å; W14-V18 HydrophobicContact CZ3-CG2 4.12Å; W14-V18 WeakPolarHBondContact O-CG2 3.45Å; W14-V18 PolarHBondContact O-N 3.31Å; W14-L34 HydrophobicContact CD2-CD1 4.23Å; W14-L34 HydrophobicContact CE3-CD1 3.48Å; W14-L34 VanDerWaalsContact CE3-CD1 3.48Å; W14-L34 HydrophobicContact CE3-CD2 4.39Å; W14-L34 HydrophobicContact CH2-CD1 3.48Å; W14-L34 VanDerWaalsContact CH2-CD1 3.48Å; W14-L34 HydrophobicContact CZ2-CD1 4.21Å; W14-L34 HydrophobicContact CZ3-CD1 3.06Å; W14-L34 HydrophobicContact CZ3-CG 4.47Å; W14-G38 WeakPolarHBondContact CZ2-O 3.45Å; W14-G38 PolarHBondContact NE1-O 2.8Å; W14-L43 HydrophobicContact CH2-CD2 4.43Å; W14-L43 HydrophobicContact CZ3-CD2 3.97Å; W14-F191 HydrophobicContact CE3-CE1 4.23Å; W14-H193 VanDerWaalsContact CB-CD2 3.45Å; W14-H193 WeakPolarHBondContact CB-CD2 3.49Å; W14-H193 AromaticContact CG-CD2 3.94Å; W14-F195 AromaticContact CD1-CD1 3.9Å; W14-F195 AromaticContact NE1-CD1 3.87Å
15Q83.6Confident72.7Confident5 Ų572.8 Ų72.82%0.02338%0.375CS..Hα-helixtrans-64-42.5174.6-68171.8-44.800109.9L11 R12 K17 V18 L19 G39L11-Q15 HydrophobicContact CB-CB 4.33Å; R12-Q15 HydrophobicContact CB-CG 4.24Å; R12-Q15 WeakPolarHBondContact O-CA 3.4Å; R12-Q15 WeakPolarHBondContact O-CB 3.22Å; R12-Q15 PolarHBondContact O-N 3.38Å; Q15-K17 VanDerWaalsContact C-N 3.34Å; Q15-K17 PolarHBondContact O-N 2.9Å; Q15-V18 PolarHBondContact O-N 3.06Å; Q15-L19 WeakPolarHBondContact O-CB 3.33Å; Q15-L19 VanDerWaalsContact O-CG 3.32Å; Q15-L19 WeakPolarHBondContact O-CG 3.35Å; Q15-L19 PolarHBondContact O-N 3.19Å; Q15-G39 PolarHBondContact NE2-O 3.29Å
16D82.3Confident75.1Confident44 Ų4468.8 Ų68.824%0.23536%0.364CS..Hα-helixtrans-61.4-41.2172.7-89.5-19.7000112R4 L11 R12 N13 W14 V18 L19 S20R4-D16 IonicContact CZ-OD1 2.85Å; R4-D16 IonicContact NH2-OD1 3.64Å; R4-D16 PolarHBondContact NH2-OD1 3.43Å; R4-D16 IonicContact NH2-OD2 3.87Å; R4-D16 PolarHBondContact NH2-OD2 2.82Å; L11-D16 WeakPolarHBondContact CD1-OD1 3.29Å; R12-D16 PolarHBondContact O-N 2.87Å; R12-D16 VanDerWaalsContact O-N 3.15Å; N13-D16 PolarHBondContact O-N 2.79Å; W14-D16 VanDerWaalsContact C-N 3.32Å; D16-V18 PolarHBondContact O-N 3.21Å; D16-L19 PolarHBondContact O-N 2.78Å; D16-S20 VanDerWaalsContact O-CB 3.24Å; D16-S20 WeakPolarHBondContact O-CB 3.38Å; D16-S20 PolarHBondContact O-N 2.87Å; D16-S20 PolarHBondContact O-OG 3.22Å
17K85.3Confident77.4Confident126 Ų12665.4 Ų65.455%0.54835%0.35SS..Hα-helixtrans-62-42175.1-74-179-178.7-174.90112.1N13 W14 Q15 S20 C21 F191N13-K17 WeakPolarHBondContact O-CG 3.37Å; N13-K17 PolarHBondContact O-N 3.46Å; W14-K17 WeakPolarHBondContact O-CB 3.48Å; W14-K17 PolarHBondContact O-N 3.02Å; Q15-K17 VanDerWaalsContact C-N 3.34Å; Q15-K17 PolarHBondContact O-N 2.9Å; K17-S20 WeakPolarHBondContact CA-OG 2.95Å; K17-S20 PolarHBondContact O-N 3.4Å; K17-S20 PolarHBondContact O-OG 2.96Å; K17-S20 VanDerWaalsContact O-OG 3.05Å; K17-C21 PolarHBondContact O-N 3.01Å; K17-C21 VanDerWaalsContact O-N 3.11Å; K17-F191 HydrophobicContact CB-CE2 4.04Å; K17-F191 HydrophobicContact CB-CZ 4.1Å
18V85.6Confident79.8Confident0 Ų067.5 Ų67.50%036%0.356CS..Hα-helixtrans-66.8-48.5176.9-178.90000110.9W14 Q15 D16 S20 C21 V24 L30 I32 L43 F191W14-V18 HydrophobicContact CE3-CG2 3.95Å; W14-V18 HydrophobicContact CZ3-CG2 4.12Å; W14-V18 WeakPolarHBondContact O-CG2 3.45Å; W14-V18 PolarHBondContact O-N 3.31Å; Q15-V18 PolarHBondContact O-N 3.06Å; D16-V18 PolarHBondContact O-N 3.21Å; V18-S20 PolarHBondContact O-N 3.25Å; V18-C21 WeakPolarHBondContact O-CB 3.17Å; V18-C21 PolarHBondContact O-N 3.35Å; V18-V24 HydrophobicContact CG1-CG2 4.23Å; V18-V24 VanDerWaalsContact O-CG2 3.3Å; V18-V24 WeakPolarHBondContact O-CG2 3.39Å; V18-L30 HydrophobicContact CG1-CD2 3.94Å; V18-I32 HydrophobicContact CG1-CD1 4.18Å; V18-L43 HydrophobicContact CB-CD1 4.37Å; V18-L43 HydrophobicContact CB-CD2 4.07Å; V18-L43 HydrophobicContact CG1-CD1 4.18Å; V18-L43 HydrophobicContact CG1-CD2 3.69Å; V18-L43 HydrophobicContact CG2-CD2 4.31Å; V18-F191 HydrophobicContact CG2-CD1 3.31Å; V18-F191 HydrophobicContact CG2-CD2 3.82Å; V18-F191 HydrophobicContact CG2-CE1 3.21Å; V18-F191 HydrophobicContact CG2-CE2 3.73Å; V18-F191 HydrophobicContact CG2-CG 3.61Å; V18-F191 HydrophobicContact CG2-CZ 3.43Å; V18-F191 VanDerWaalsContact CG2-CZ 3.43Å
19L84.9Confident82.2Confident38 Ų3859 Ų5920%0.19932%0.317CS..Hα-helixtrans-64.1-26.1180-69.9172000113.1L11 Q15 D16 L43 I46 L47L11-L19 HydrophobicContact CD1-CD1 3.8Å; Q15-L19 WeakPolarHBondContact O-CB 3.33Å; Q15-L19 VanDerWaalsContact O-CG 3.32Å; Q15-L19 WeakPolarHBondContact O-CG 3.35Å; Q15-L19 PolarHBondContact O-N 3.19Å; D16-L19 PolarHBondContact O-N 2.78Å; L19-L43 HydrophobicContact CD1-CD1 4.38Å; L19-L43 HydrophobicContact CD2-CD1 3.54Å; L19-L43 HydrophobicContact CG-CD1 3.68Å; L19-I46 HydrophobicContact CD1-CD1 4.17Å; L19-I46 HydrophobicContact CD1-CG2 4.08Å; L19-I46 HydrophobicContact CD2-CG2 3.74Å; L19-L47 HydrophobicContact CD2-CD2 3.88Å; L19-L47 HydrophobicContact CD2-CG 4.33Å
20S83.9Confident83.9Confident61 Ų6155.8 Ų55.843%0.42730%0.3SS..Hα-helixtrans-87.5-8.817558.60000114.4D16 K17 V18 K25D16-S20 VanDerWaalsContact O-CB 3.24Å; D16-S20 WeakPolarHBondContact O-CB 3.38Å; D16-S20 PolarHBondContact O-N 2.87Å; D16-S20 PolarHBondContact O-OG 3.22Å; K17-S20 WeakPolarHBondContact CA-OG 2.95Å; K17-S20 PolarHBondContact O-N 3.4Å; K17-S20 PolarHBondContact O-OG 2.96Å; K17-S20 VanDerWaalsContact O-OG 3.05Å; V18-S20 PolarHBondContact O-N 3.25Å; S20-K25 VanDerWaalsContact O-CE 3.29Å; S20-K25 WeakPolarHBondContact O-CE 3.16Å; S20-K25 PolarHBondContact O-NZ 3.37Å
21C83.3Confident85.2Confident30 Ų3047.5 Ų47.520%0.20326%0.256CS..SBendtrans-57.5140.3177.2-173.90000111.4K17 V18 A23 V24 K25K17-C21 PolarHBondContact O-N 3.01Å; K17-C21 VanDerWaalsContact O-N 3.11Å; V18-C21 WeakPolarHBondContact O-CB 3.17Å; V18-C21 PolarHBondContact O-N 3.35Å; C21-A23 VanDerWaalsContact C-N 3.28Å; C21-A23 PolarHBondContact O-N 3.03Å; C21-V24 HydrophobicContact CB-CG2 4.37Å; C21-V24 PolarHBondContact O-N 3.09Å; C21-K25 PolarHBondContact O-N 2.66Å; C21-K25 VanDerWaalsContact O-N 3.16Å
22S82.8Confident85.9Confident78 Ų7845.9 Ų45.955%0.54525%0.248SC..Hα-helixtrans-55.3-43.2177.344.80000111.8V24 K25 A26S22-V24 PolarHBondContact O-N 3.5Å; S22-K25 PolarHBondContact O-N 3.22Å; S22-K25 VanDerWaalsContact O-N 3.15Å; S22-A26 VanDerWaalsContact O-CB 3.27Å; S22-A26 WeakPolarHBondContact O-CB 3.18Å; S22-A26 PolarHBondContact O-N 3.23Å
23A84.1Confident86.5Confident0 Ų041.9 Ų41.90%024%0.235CC..Hα-helixtrans-57.2-46.9178.700000112.3C21 K25 A26 G27 Q28 L30 D189C21-A23 VanDerWaalsContact C-N 3.28Å; C21-A23 PolarHBondContact O-N 3.03Å; A23-K25 VanDerWaalsContact C-N 3.33Å; A23-K25 PolarHBondContact O-N 3.1Å; A23-A26 PolarHBondContact O-N 2.99Å; A23-G27 WeakPolarHBondContact O-CA 3.18Å; A23-G27 PolarHBondContact O-N 2.95Å; A23-Q28 HydrophobicContact CB-CB 4.12Å; A23-Q28 PolarHBondContact O-N 3.22Å; A23-L30 HydrophobicContact CB-CD1 4.38Å; A23-D189 HydrophobicContact CB-CB 3.94Å
24V85.5Confident86.7Confident1 Ų135.7 Ų35.71%0.00620%0.201CC..Hα-helixtrans-63.3-40.4178.2174.80000111.3V18 C21 S22 L30 L47 K50V18-V24 HydrophobicContact CG1-CG2 4.23Å; V18-V24 VanDerWaalsContact O-CG2 3.3Å; V18-V24 WeakPolarHBondContact O-CG2 3.39Å; C21-V24 HydrophobicContact CB-CG2 4.37Å; C21-V24 PolarHBondContact O-N 3.09Å; S22-V24 PolarHBondContact O-N 3.5Å; V24-L30 HydrophobicContact CG2-CD2 3.61Å; V24-L47 HydrophobicContact CG1-CD2 3.55Å; V24-K50 PolarHBondContact O-NZ 2.9Å
25K83.4Confident86.6Confident128 Ų12835.8 Ų35.856%0.55720%0.203SC*.Hα-helixtrans-67.9-46.9178.6-71.5172.1176.2160.60111.7S20 C21 S22 A23 G27 R55S20-K25 VanDerWaalsContact O-CE 3.29Å; S20-K25 WeakPolarHBondContact O-CE 3.16Å; S20-K25 PolarHBondContact O-NZ 3.37Å; C21-K25 PolarHBondContact O-N 2.66Å; C21-K25 VanDerWaalsContact O-N 3.16Å; S22-K25 PolarHBondContact O-N 3.22Å; S22-K25 VanDerWaalsContact O-N 3.15Å; A23-K25 VanDerWaalsContact C-N 3.33Å; A23-K25 PolarHBondContact O-N 3.1Å; K25-G27 VanDerWaalsContact C-N 3.27Å; K25-G27 PolarHBondContact O-N 2.95Å; K25-R55 PolarHBondContact O-NH2 3.32Å
26A85.9Confident86.1Confident67 Ų6739.6 Ų39.655%0.55423%0.227SC*.Hα-helixtrans-71.7-19.2179.900000113.2S22 A23 Q28S22-A26 VanDerWaalsContact O-CB 3.27Å; S22-A26 WeakPolarHBondContact O-CB 3.18Å; S22-A26 PolarHBondContact O-N 3.23Å; A23-A26 PolarHBondContact O-N 2.99Å; A26-Q28 HydrophobicContact CB-CG 4.04Å
27G88.9Confident85.5Confident15 Ų1540.3 Ų40.316%0.15524%0.244CC..THydrogen-bonded Turntrans80.124-174.200000113.2A23 K25 Q168A23-G27 WeakPolarHBondContact O-CA 3.18Å; A23-G27 PolarHBondContact O-N 2.95Å; K25-G27 VanDerWaalsContact C-N 3.27Å; K25-G27 PolarHBondContact O-N 2.95Å; G27-Q168 WeakPolarHBondContact O-CB 3.48Å; G27-Q168 WeakPolarHBondContact O-CG 3.14Å
28Q93.3Very high84.6Confident105 Ų10534.4 Ų34.449%0.49122%0.219SC..  trans-80.9156.5176.2-67177-38.200111.3A23 A26 Q168A23-Q28 HydrophobicContact CB-CB 4.12Å; A23-Q28 PolarHBondContact O-N 3.22Å; A26-Q28 HydrophobicContact CB-CG 4.04Å; Q28-Q168 WeakPolarHBondContact O-CG 3.24Å; Q28-Q168 PolarHBondContact O-NE2 3.47Å
29N96.7Very high84.1Confident25 Ų2535.5 Ų35.513%0.13423%0.23CC..  trans-61.6143.3179.1-62.8-16000110.7L169 M186 A188 D189N29-L169 CarbonylContact C-O 3.53Å; N29-L169 WeakPolarHBondContact CA-O 3.2Å; N29-L169 HydrophobicContact CB-CB 4.38Å; N29-L169 PolarHBondContact OD1-N 3.36Å; N29-M186 WeakPolarHBondContact CB-O 3.33Å; N29-M186 PolarHBondContact ND2-O 3.18Å; N29-A188 HydrophobicContact CB-CB 3.78Å; N29-A188 CarbonylContact O-C 3.6Å; N29-A188 VanDerWaalsContact O-CA 3.24Å; N29-A188 WeakPolarHBondContact O-CA 3.32Å; N29-A188 WeakPolarHBondContact O-CB 3.42Å; N29-D189 PolarHBondContact O-N 2.8Å
30L95.4Very high84Confident0 Ų034.5 Ų34.50%023%0.225CC..EExtended strand (participates in β ladder)trans-141.5132.7-175.3-17867.9000111V18 A23 V24 I32 L169 I170 G171 D189 F191V18-L30 HydrophobicContact CG1-CD2 3.94Å; A23-L30 HydrophobicContact CB-CD1 4.38Å; V24-L30 HydrophobicContact CG2-CD2 3.61Å; L30-I32 HydrophobicContact CD2-CD1 3.95Å; L30-I32 HydrophobicContact CD2-CG1 3.81Å; L30-I32 HydrophobicContact CG-CD1 4.48Å; L30-I32 HydrophobicContact CG-CG1 3.93Å; L30-L169 PolarHBondContact N-O 3.16Å; L30-I170 CarbonylContact O-C 3.55Å; L30-I170 VanDerWaalsContact O-CA 3.29Å; L30-I170 WeakPolarHBondContact O-CA 2.98Å; L30-G171 PolarHBondContact O-N 3.38Å; L30-D189 HydrophobicContact CD1-CB 3.91Å; L30-F191 HydrophobicContact CD1-CB 4.28Å
31I94.1Very high83.9Confident0 Ų034 Ų340%022%0.219CC..EExtended strand (participates in β ladder)trans-103.8128.5168.2-63.4171.8000108.6L140 G171 L176 L179 L182 M186 A188 D189 L190 F191I31-L140 HydrophobicContact CD1-CD2 4.27Å; I31-L140 HydrophobicContact CG1-CD2 4.13Å; I31-L140 HydrophobicContact CG2-CD2 4.23Å; I31-G171 CarbonylContact C-O 3.33Å; I31-G171 WeakPolarHBondContact CA-O 3.36Å; I31-L176 HydrophobicContact CG2-CD1 4.05Å; I31-L179 HydrophobicContact CG2-CD2 4.01Å; I31-L182 HydrophobicContact CD1-CB 3.79Å; I31-L182 WeakPolarHBondContact CD1-O 3.36Å; I31-M186 HydrophobicContact CD1-CB 4.38Å; I31-M186 HydrophobicContact CD1-SD 4.05Å; I31-M186 HydrophobicContact CG1-SD 3.95Å; I31-A188 HydrophobicContact CD1-CB 4.15Å; I31-A188 HydrophobicContact CG1-CB 3.89Å; I31-D189 PolarHBondContact N-O 3.1Å; I31-L190 HydrophobicContact CB-CD1 4.06Å; I31-L190 HydrophobicContact CG2-CD1 3.87Å; I31-F191 PolarHBondContact O-N 3Å
32I91.1Very high83.9Confident0 Ų035.2 Ų35.20%022%0.223CC..EExtended strand (participates in β ladder)trans-115.6106.1179.3-59.1163.3000108V18 L30 L34 L43 I170 G171 M172 S173 F191V18-I32 HydrophobicContact CG1-CD1 4.18Å; L30-I32 HydrophobicContact CD2-CD1 3.95Å; L30-I32 HydrophobicContact CD2-CG1 3.81Å; L30-I32 HydrophobicContact CG-CD1 4.48Å; L30-I32 HydrophobicContact CG-CG1 3.93Å; I32-L34 HydrophobicContact CG2-CB 4.49Å; I32-L34 HydrophobicContact CG2-CD1 3.31Å; I32-L34 HydrophobicContact CG2-CG 3.58Å; I32-L43 HydrophobicContact CD1-CD2 3.63Å; I32-I170 HydrophobicContact CD1-CG2 3.79Å; I32-G171 PolarHBondContact N-O 3.21Å; I32-M172 HydrophobicContact CB-CG 4.3Å; I32-M172 HydrophobicContact CD1-CG 4.24Å; I32-M172 WeakPolarHBondContact O-CA 3.26Å; I32-S173 PolarHBondContact O-N 3.03Å; I32-F191 WeakPolarHBondContact CA-O 3.45Å
33S88.3Confident84.1Confident14 Ų1431.5 Ų31.510%0.09820%0.197CC..EExtended strand (participates in β ladder)trans-103.9103.3175.4-168.30000109.2S173 F191 T192 H193S33-S173 WeakPolarHBondContact CA-O 3.16Å; S33-F191 PolarHBondContact N-O 3.38Å; S33-T192 WeakPolarHBondContact O-CA 3.2Å; S33-H193 PolarHBondContact O-N 2.91Å
34L83.2Confident84.3Confident4 Ų431.6 Ų31.62%0.02120%0.198CC..  trans-138.7138.2-176.1-65.1172.5000109.9W14 I32 K40 S173 A174 F191 H193W14-L34 HydrophobicContact CD2-CD1 4.23Å; W14-L34 HydrophobicContact CE3-CD1 3.48Å; W14-L34 VanDerWaalsContact CE3-CD1 3.48Å; W14-L34 HydrophobicContact CE3-CD2 4.39Å; W14-L34 HydrophobicContact CH2-CD1 3.48Å; W14-L34 VanDerWaalsContact CH2-CD1 3.48Å; W14-L34 HydrophobicContact CZ2-CD1 4.21Å; W14-L34 HydrophobicContact CZ3-CD1 3.06Å; W14-L34 HydrophobicContact CZ3-CG 4.47Å; I32-L34 HydrophobicContact CG2-CB 4.49Å; I32-L34 HydrophobicContact CG2-CD1 3.31Å; I32-L34 HydrophobicContact CG2-CG 3.58Å; L34-K40 HydrophobicContact CB-CD 4.16Å; L34-K40 HydrophobicContact CB-CG 4.19Å; L34-K40 HydrophobicContact CD1-CG 4.21Å; L34-K40 PolarHBondContact O-NZ 2.78Å; L34-S173 PolarHBondContact N-O 3.4Å; L34-A174 CarbonylContact C-O 3.49Å; L34-A174 VanDerWaalsContact O-CA 3.24Å; L34-A174 WeakPolarHBondContact O-CA 3.36Å; L34-F191 HydrophobicContact CD2-CD1 4.28Å; L34-F191 HydrophobicContact CD2-CE1 4.1Å; L34-H193 HydrophobicContact CD2-CB 3.29Å
35P76.2Confident84.4Confident10 Ų1033.5 Ų33.57%0.06521%0.207CC..  trans-49.4155.8175.1-27.733.8000114.4G38 K40 H193 R196P35-G38 PolarHBondContact O-N 2.93Å; P35-K40 PolarHBondContact O-NZ 2.76Å; P35-K40 VanDerWaalsContact O-NZ 3.15Å; P35-H193 WeakPolarHBondContact CD-O 3.25Å; P35-R196 HydrophobicContact CB-CG 3.73Å; P35-R196 HydrophobicContact CG-CG 4.14Å
36T74.3Confident84.6Confident86 Ų8627.8 Ų27.853%0.52818%0.182SC..THydrogen-bonded Turntrans-59.2149.5172.547.20000111.5G38 A174T36-G38 PolarHBondContact O-N 3.47Å; T36-A174 HydrophobicContact CG2-CB 3.75Å
37G68.6Low84.8Confident58 Ų5824.9 Ų24.960%0.59816%0.157SC*.THydrogen-bonded Turntrans72.5-0.1-174.600000114.8R12 G39R12-G37 PolarHBondContact NH1-O 2.91Å; R12-G37 VanDerWaalsContact NH1-O 3.15Å; G37-G39 PolarHBondContact O-N 3.42Å
38G66.5Low84.9Confident2 Ų224.2 Ų24.22%0.02115%0.15CC..SBendtrans-60.4-28.7179.900000114R12 W14 P35 T36R12-G38 VanDerWaalsContact NH1-C 3.3Å; R12-G38 PolarHBondContact NH1-O 3.27Å; W14-G38 WeakPolarHBondContact CZ2-O 3.45Å; W14-G38 PolarHBondContact NE1-O 2.8Å; P35-G38 PolarHBondContact O-N 2.93Å; T36-G38 PolarHBondContact O-N 3.47Å
39G75.5Confident84.6Confident23 Ų2320.3 Ų20.324%0.23713%0.132CC..  trans102.229.6-173.600000113.8Q15 G37 T41Q15-G39 PolarHBondContact NE2-O 3.29Å; G37-G39 PolarHBondContact O-N 3.42Å; G39-T41 VanDerWaalsContact C-N 3.33Å; G39-T41 PolarHBondContact O-N 3.09Å
40K82.1Confident84.1Confident18 Ų1821.2 Ų21.28%0.07814%0.135CC..Hα-helixtrans-59.9-39.1179.9-64.8-172.2-74.9-97.20112.8L34 P35 L42 L43 S44 M172L34-K40 HydrophobicContact CB-CD 4.16Å; L34-K40 HydrophobicContact CB-CG 4.19Å; L34-K40 HydrophobicContact CD1-CG 4.21Å; L34-K40 PolarHBondContact O-NZ 2.78Å; P35-K40 PolarHBondContact O-NZ 2.76Å; P35-K40 VanDerWaalsContact O-NZ 3.15Å; K40-L42 PolarHBondContact O-N 2.83Å; K40-L43 WeakPolarHBondContact O-CB 3.47Å; K40-L43 PolarHBondContact O-N 2.87Å; K40-L43 VanDerWaalsContact O-N 3.11Å; K40-S44 PolarHBondContact O-N 2.89Å; K40-M172 HydrophobicContact CB-SD 4.16Å; K40-M172 HydrophobicContact CD-CB 4.37Å
41T82.5Confident84Confident51 Ų5121.6 Ų21.631%0.31314%0.137SC..Hα-helixtrans-61.6-42.8-178.5-46.10000113G39 L43 S44 E45 K72G39-T41 VanDerWaalsContact C-N 3.33Å; G39-T41 PolarHBondContact O-N 3.09Å; T41-L43 VanDerWaalsContact C-N 3.25Å; T41-L43 PolarHBondContact O-N 3.04Å; T41-S44 PolarHBondContact O-N 3.39Å; T41-S44 PolarHBondContact O-OG 2.85Å; T41-E45 WeakPolarHBondContact CG2-OE1 3.48Å; T41-E45 VanDerWaalsContact O-CG 3.3Å; T41-E45 WeakPolarHBondContact O-CG 3.4Å; T41-E45 PolarHBondContact O-N 2.88Å; T41-K72 HydrophobicContact CG2-CD 4.26Å
42L84.3Confident83.6Confident55 Ų5522.1 Ų22.129%0.28814%0.139SC..Hα-helixtrans-62.9-36.9176.2-179.363.4000111.2L9 L11 K40 E45 I46L9-L42 HydrophobicContact CD1-CD1 4.49Å; L11-L42 HydrophobicContact CD2-CD2 4.06Å; K40-L42 PolarHBondContact O-N 2.83Å; L42-E45 PolarHBondContact O-N 3.46Å; L42-I46 HydrophobicContact CD1-CD1 4.46Å; L42-I46 HydrophobicContact CG-CD1 4.11Å; L42-I46 WeakPolarHBondContact O-CD1 3.47Å; L42-I46 VanDerWaalsContact O-CG1 3.26Å; L42-I46 WeakPolarHBondContact O-CG1 3.3Å; L42-I46 PolarHBondContact O-N 2.88Å
43L86Confident83.1Confident0 Ų025.4 Ų25.40%016%0.159CC..Hα-helixtrans-65.1-45.4176.8175.965.9000111.4W14 V18 L19 I32 K40 T41 E45 I46 L47W14-L43 HydrophobicContact CH2-CD2 4.43Å; W14-L43 HydrophobicContact CZ3-CD2 3.97Å; V18-L43 HydrophobicContact CB-CD1 4.37Å; V18-L43 HydrophobicContact CB-CD2 4.07Å; V18-L43 HydrophobicContact CG1-CD1 4.18Å; V18-L43 HydrophobicContact CG1-CD2 3.69Å; V18-L43 HydrophobicContact CG2-CD2 4.31Å; L19-L43 HydrophobicContact CD1-CD1 4.38Å; L19-L43 HydrophobicContact CD2-CD1 3.54Å; L19-L43 HydrophobicContact CG-CD1 3.68Å; I32-L43 HydrophobicContact CD1-CD2 3.63Å; K40-L43 WeakPolarHBondContact O-CB 3.47Å; K40-L43 PolarHBondContact O-N 2.87Å; K40-L43 VanDerWaalsContact O-N 3.11Å; T41-L43 VanDerWaalsContact C-N 3.25Å; T41-L43 PolarHBondContact O-N 3.04Å; L43-E45 VanDerWaalsContact C-N 3.34Å; L43-E45 PolarHBondContact O-N 3.12Å; L43-I46 PolarHBondContact O-N 3.27Å; L43-L47 HydrophobicContact CD1-CD1 4.12Å; L43-L47 HydrophobicContact CD1-CG 4.42Å; L43-L47 HydrophobicContact CG-CD1 4.05Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.36Å; L43-L47 PolarHBondContact O-N 2.78Å; L43-L47 VanDerWaalsContact O-N 3.11Å
44S88.8Confident82.9Confident1 Ų127.6 Ų27.61%0.00717%0.174CC..Hα-helixtrans-62.5-41.6176.655.60000111.9K40 T41 I46 L47 I48K40-S44 PolarHBondContact O-N 2.89Å; T41-S44 PolarHBondContact O-N 3.39Å; T41-S44 PolarHBondContact O-OG 2.85Å; S44-I46 PolarHBondContact O-N 3.2Å; S44-L47 PolarHBondContact O-N 3.08Å; S44-I48 WeakPolarHBondContact O-CD1 3.35Å; S44-I48 WeakPolarHBondContact O-CG1 3.49Å; S44-I48 PolarHBondContact O-N 3.3Å
45E88.2Confident83Confident42 Ų4232.4 Ų32.420%0.19619%0.192CC..Hα-helixtrans-58.9-44.4175.6-71.5167.5-176.900112T41 L42 L43 L47 I48 L49 K72 L76T41-E45 WeakPolarHBondContact CG2-OE1 3.48Å; T41-E45 VanDerWaalsContact O-CG 3.3Å; T41-E45 WeakPolarHBondContact O-CG 3.4Å; T41-E45 PolarHBondContact O-N 2.88Å; L42-E45 PolarHBondContact O-N 3.46Å; L43-E45 VanDerWaalsContact C-N 3.34Å; L43-E45 PolarHBondContact O-N 3.12Å; E45-L47 VanDerWaalsContact C-N 3.32Å; E45-L47 PolarHBondContact O-N 2.89Å; E45-I48 PolarHBondContact O-N 2.84Å; E45-L49 WeakPolarHBondContact O-CG 3.5Å; E45-L49 PolarHBondContact O-N 2.9Å; E45-K72 IonicContact OE1-NZ 3.03Å; E45-K72 PolarHBondContact OE1-NZ 3.19Å; E45-L76 HydrophobicContact CG-CD2 4.36Å
46I86.7Confident83.5Confident8 Ų833.2 Ų33.24%0.04120%0.202CC..Hα-helixtrans-61-40.9175.8-70165.6000111.6I3 L9 L11 L19 L42 L43 S44 L49 K50I3-I46 HydrophobicContact CD1-CG2 4.07Å; I3-I46 HydrophobicContact CG2-CG2 4.28Å; L9-I46 HydrophobicContact CD1-CD1 4.08Å; L9-I46 HydrophobicContact CD1-CG1 4.27Å; L11-I46 HydrophobicContact CD2-CD1 3.65Å; L19-I46 HydrophobicContact CD1-CD1 4.17Å; L19-I46 HydrophobicContact CD1-CG2 4.08Å; L19-I46 HydrophobicContact CD2-CG2 3.74Å; L42-I46 HydrophobicContact CD1-CD1 4.46Å; L42-I46 HydrophobicContact CG-CD1 4.11Å; L42-I46 WeakPolarHBondContact O-CD1 3.47Å; L42-I46 VanDerWaalsContact O-CG1 3.26Å; L42-I46 WeakPolarHBondContact O-CG1 3.3Å; L42-I46 PolarHBondContact O-N 2.88Å; L43-I46 PolarHBondContact O-N 3.27Å; S44-I46 PolarHBondContact O-N 3.2Å; I46-L49 PolarHBondContact O-N 3Å; I46-K50 PolarHBondContact O-N 2.97Å
47L90.4Very high84.4Confident5 Ų532.6 Ų32.63%0.02619%0.192CC..Hα-helixtrans-71.6-37.8-179.4-65.6168.9000112L19 V24 L43 S44 E45 K50 Q51 L134 I170L19-L47 HydrophobicContact CD2-CD2 3.88Å; L19-L47 HydrophobicContact CD2-CG 4.33Å; V24-L47 HydrophobicContact CG1-CD2 3.55Å; L43-L47 HydrophobicContact CD1-CD1 4.12Å; L43-L47 HydrophobicContact CD1-CG 4.42Å; L43-L47 HydrophobicContact CG-CD1 4.05Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.36Å; L43-L47 PolarHBondContact O-N 2.78Å; L43-L47 VanDerWaalsContact O-N 3.11Å; S44-L47 PolarHBondContact O-N 3.08Å; E45-L47 VanDerWaalsContact C-N 3.32Å; E45-L47 PolarHBondContact O-N 2.89Å; L47-K50 WeakPolarHBondContact O-CB 3.34Å; L47-K50 PolarHBondContact O-N 2.89Å; L47-Q51 PolarHBondContact O-N 3.28Å; L47-L134 HydrophobicContact CB-CD2 4.09Å; L47-I170 HydrophobicContact CD1-CD1 3.6Å
48I91.1Very high85.7Confident1 Ų130.2 Ų30.21%0.00517%0.165CC..Hα-helixtrans-57.5-50.5171-68.9161000109.7S44 E45 K50 Q51 I52 V59 F61 V108 V136S44-I48 WeakPolarHBondContact O-CD1 3.35Å; S44-I48 WeakPolarHBondContact O-CG1 3.49Å; S44-I48 PolarHBondContact O-N 3.3Å; E45-I48 PolarHBondContact O-N 2.84Å; I48-K50 VanDerWaalsContact C-N 3.35Å; I48-K50 PolarHBondContact O-N 3.1Å; I48-Q51 PolarHBondContact O-N 2.92Å; I48-Q51 VanDerWaalsContact O-N 3.14Å; I48-I52 HydrophobicContact CG2-CD1 4.11Å; I48-I52 PolarHBondContact O-N 3.25Å; I48-V59 HydrophobicContact CB-CG1 4.4Å; I48-V59 HydrophobicContact CG1-CG1 3.8Å; I48-V59 HydrophobicContact CG2-CB 4.4Å; I48-V59 HydrophobicContact CG2-CG1 4.3Å; I48-V59 HydrophobicContact CG2-CG2 4.43Å; I48-F61 HydrophobicContact CD1-CB 4.39Å; I48-F61 HydrophobicContact CD1-CD1 3.66Å; I48-F61 HydrophobicContact CD1-CE1 4.07Å; I48-F61 HydrophobicContact CD1-CG 4.08Å; I48-V108 HydrophobicContact CG2-CG1 4.26Å; I48-V108 HydrophobicContact CG2-CG2 3.62Å; I48-V136 HydrophobicContact CG1-CG2 4.47Å
49L87.7Confident87.2Confident23 Ų2330.1 Ų30.112%0.1216%0.164CC..Hα-helixtrans-61.5-41.1178.5-71.3179.2000112.6E45 I46 Q51 I52 V53 L79 L83 F85E45-L49 WeakPolarHBondContact O-CG 3.5Å; E45-L49 PolarHBondContact O-N 2.9Å; I46-L49 PolarHBondContact O-N 3Å; L49-Q51 VanDerWaalsContact C-N 3.28Å; L49-Q51 PolarHBondContact O-N 2.71Å; L49-I52 PolarHBondContact O-N 3.45Å; L49-V53 VanDerWaalsContact O-CB 3.28Å; L49-V53 WeakPolarHBondContact O-CB 3.31Å; L49-V53 WeakPolarHBondContact O-CG2 3.47Å; L49-V53 PolarHBondContact O-N 2.95Å; L49-L79 HydrophobicContact CD1-CD2 4.11Å; L49-L79 HydrophobicContact CD2-CD2 3.82Å; L49-L79 HydrophobicContact CD2-CG 4.11Å; L49-L79 HydrophobicContact CG-CD2 4.22Å; L49-L83 HydrophobicContact CD1-CD1 4.46Å; L49-L83 HydrophobicContact CD2-CD1 3.52Å; L49-F85 HydrophobicContact CD2-CE1 3.68Å; L49-F85 HydrophobicContact CD2-CZ 4.04Å
50K86.3Confident88.3Confident45 Ų4529 Ų2920%0.19615%0.153CC..Iπ-helixtrans-55.5-46.9174-174.4-174.4168.6-172.30110.9I3 V24 I46 L47 I48 C54 R55I3-K50 HydrophobicContact CD1-CB 3.58Å; I3-K50 HydrophobicContact CD1-CG 4.15Å; V24-K50 PolarHBondContact O-NZ 2.9Å; I46-K50 PolarHBondContact O-N 2.97Å; L47-K50 WeakPolarHBondContact O-CB 3.34Å; L47-K50 PolarHBondContact O-N 2.89Å; I48-K50 VanDerWaalsContact C-N 3.35Å; I48-K50 PolarHBondContact O-N 3.1Å; K50-C54 WeakPolarHBondContact O-CA 3.34Å; K50-C54 WeakPolarHBondContact O-CB 3.46Å; K50-C54 PolarHBondContact O-N 3.44Å; K50-R55 PolarHBondContact O-N 3.31Å
51Q91.4Very high89.1Confident8 Ų828.2 Ų28.24%0.03715%0.15CC..Iπ-helixtrans-69.7-43.1-175.5-16566.322.300111.8L47 I48 L49 R55 G56 K57 V59 G133 L134L47-Q51 PolarHBondContact O-N 3.28Å; I48-Q51 PolarHBondContact O-N 2.92Å; I48-Q51 VanDerWaalsContact O-N 3.14Å; L49-Q51 VanDerWaalsContact C-N 3.28Å; L49-Q51 PolarHBondContact O-N 2.71Å; Q51-R55 CarbonylContact O-C 3.59Å; Q51-R55 WeakPolarHBondContact O-CA 3.08Å; Q51-R55 VanDerWaalsContact O-CB 3.31Å; Q51-R55 WeakPolarHBondContact O-CB 3.35Å; Q51-R55 PolarHBondContact O-N 3.11Å; Q51-G56 PolarHBondContact O-N 3.36Å; Q51-K57 HydrophobicContact CG-CB 4.11Å; Q51-K57 PolarHBondContact O-N 3.34Å; Q51-V59 HydrophobicContact CB-CG2 3.64Å; Q51-V59 HydrophobicContact CG-CG2 3.81Å; Q51-G133 VanDerWaalsContact NE2-CA 3.32Å; Q51-G133 PolarHBondContact NE2-O 3.05Å; Q51-L134 HydrophobicContact CB-CB 4.09Å; Q51-L134 HydrophobicContact CB-CD2 4.2Å; Q51-L134 HydrophobicContact CG-CB 3.75Å
52I87.2Confident89.8Confident10 Ų1025.9 Ų25.95%0.05114%0.135CC..Iπ-helixtrans-72.1-56.7-178.7-74.5179.9000111.4I48 L49 G56 K57 V59 F85 R106 V108I48-I52 HydrophobicContact CG2-CD1 4.11Å; I48-I52 PolarHBondContact O-N 3.25Å; L49-I52 PolarHBondContact O-N 3.45Å; I52-G56 VanDerWaalsContact O-CA 3.26Å; I52-G56 WeakPolarHBondContact O-CA 3.45Å; I52-G56 PolarHBondContact O-N 3.1Å; I52-K57 WeakPolarHBondContact CG1-O 3.43Å; I52-V59 HydrophobicContact CD1-CG2 4.12Å; I52-V59 HydrophobicContact CG1-CG2 3.76Å; I52-F85 HydrophobicContact CD1-CB 4.38Å; I52-F85 HydrophobicContact CD1-CD2 4.01Å; I52-F85 HydrophobicContact CD1-CE2 4.46Å; I52-F85 HydrophobicContact CD1-CG 4.13Å; I52-F85 HydrophobicContact CG2-CB 3.58Å; I52-F85 HydrophobicContact CG2-CD1 3.81Å; I52-F85 HydrophobicContact CG2-CG 3.81Å; I52-R106 HydrophobicContact CG1-CB 4.45Å; I52-R106 HydrophobicContact CG2-CB 4.29Å; I52-V108 HydrophobicContact CD1-CB 4.32Å; I52-V108 HydrophobicContact CD1-CG2 3.09Å
53V80.8Confident90.4Very high69 Ų6923.3 Ų23.342%0.41812%0.122SC..Iπ-helixtrans-77.1-40.9-170-178.70000111L49 L83L49-V53 VanDerWaalsContact O-CB 3.28Å; L49-V53 WeakPolarHBondContact O-CB 3.31Å; L49-V53 WeakPolarHBondContact O-CG2 3.47Å; L49-V53 PolarHBondContact O-N 2.95Å; V53-L83 HydrophobicContact CG2-CD1 4.44Å
54C82.9Confident90.6Very high60 Ų6023.6 Ų23.641%0.40512%0.124SC..Iπ-helixtrans-93.6-29-175-57.40000113.7K50K50-C54 WeakPolarHBondContact O-CA 3.34Å; K50-C54 WeakPolarHBondContact O-CB 3.46Å; K50-C54 PolarHBondContact O-N 3.44Å
55R85Confident90.6Very high106 Ų10628.7 Ų28.740%0.414%0.143SC..Hα-helixtrans-110.3-9.6-178.1-62.9-170.3172.6179.8-5.3114K25 K50 Q51 K57K25-R55 PolarHBondContact O-NH2 3.32Å; K50-R55 PolarHBondContact O-N 3.31Å; Q51-R55 CarbonylContact O-C 3.59Å; Q51-R55 WeakPolarHBondContact O-CA 3.08Å; Q51-R55 VanDerWaalsContact O-CB 3.31Å; Q51-R55 WeakPolarHBondContact O-CB 3.35Å; Q51-R55 PolarHBondContact O-N 3.11Å; R55-K57 VanDerWaalsContact C-N 3.28Å; R55-K57 PolarHBondContact O-N 3.32Å
56G87.6Confident90.5Very high26 Ų2629 Ų2927%0.26815%0.148SC..  trans58.840176.500000112.7Q51 I52 R106Q51-G56 PolarHBondContact O-N 3.36Å; I52-G56 VanDerWaalsContact O-CA 3.26Å; I52-G56 WeakPolarHBondContact O-CA 3.45Å; I52-G56 PolarHBondContact O-N 3.1Å; G56-R106 PolarHBondContact O-NE 3.4Å; G56-R106 PolarHBondContact O-NH2 3.33Å
57K93.5Very high90.5Very high73 Ų7332.3 Ų32.332%0.31717%0.172SC..  trans-121.5153.5176.9-72.4-75.4-176.6174.20110.3Q51 I52 R55 D130 D131Q51-K57 HydrophobicContact CG-CB 4.11Å; Q51-K57 PolarHBondContact O-N 3.34Å; I52-K57 WeakPolarHBondContact CG1-O 3.43Å; R55-K57 VanDerWaalsContact C-N 3.28Å; R55-K57 PolarHBondContact O-N 3.32Å; K57-D130 PolarHBondContact NZ-O 3.38Å; K57-D131 WeakPolarHBondContact CD-O 3.41Å
58D95.9Very high90.4Very high9 Ų934.6 Ų34.65%0.04818%0.184CC..EExtended strand (participates in β ladder)trans-71.4159.2175.1-70.5-9.1000110.8R106 S107 Y109 D131 L132 G133D58-R106 VanDerWaalsContact OD1-CA 3.29Å; D58-R106 WeakPolarHBondContact OD1-CA 3.42Å; D58-R106 WeakPolarHBondContact OD1-CB 3.36Å; D58-R106 WeakPolarHBondContact OD1-CD 3.44Å; D58-S107 WeakPolarHBondContact CA-O 3.28Å; D58-S107 PolarHBondContact OD1-N 3.46Å; D58-Y109 HydrophobicContact CB-CD2 4.49Å; D58-Y109 HydrophobicContact CB-CE2 3.78Å; D58-Y109 PolarHBondContact OD2-OH 3.43Å; D58-D131 PolarHBondContact N-O 3.4Å; D58-L132 HydrophobicContact CB-CD2 4Å; D58-G133 PolarHBondContact O-N 3.34Å
59V97.6Very high90.5Very high0 Ų034.5 Ų34.50%018%0.183CC..EExtended strand (participates in β ladder)trans-132.3138.4-178.7-176.70000110.4I48 Q51 I52 S107 V108 Y109 L134I48-V59 HydrophobicContact CB-CG1 4.4Å; I48-V59 HydrophobicContact CG1-CG1 3.8Å; I48-V59 HydrophobicContact CG2-CB 4.4Å; I48-V59 HydrophobicContact CG2-CG1 4.3Å; I48-V59 HydrophobicContact CG2-CG2 4.43Å; Q51-V59 HydrophobicContact CB-CG2 3.64Å; Q51-V59 HydrophobicContact CG-CG2 3.81Å; I52-V59 HydrophobicContact CD1-CG2 4.12Å; I52-V59 HydrophobicContact CG1-CG2 3.76Å; V59-S107 PolarHBondContact N-O 3.22Å; V59-V108 CarbonylContact O-C 3.55Å; V59-V108 WeakPolarHBondContact O-CA 3.44Å; V59-Y109 PolarHBondContact O-N 3.43Å; V59-L134 WeakPolarHBondContact CA-O 3.36Å; V59-L134 HydrophobicContact CG1-CB 4.11Å; V59-L134 HydrophobicContact CG1-CD2 4.07Å; V59-L134 HydrophobicContact CG1-CG 4.09Å; V59-L134 HydrophobicContact CG2-CB 4.21Å
60L98.5Very high90.5Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-109.7120.4171.9173.356.7000109.7V62 Y109 A111 A116 L119 L132 L134 V135 V136L60-V62 HydrophobicContact CD1-CG2 4.26Å; L60-V62 HydrophobicContact CD2-CG2 4.31Å; L60-V62 HydrophobicContact CG-CG2 3.89Å; L60-Y109 CarbonylContact C-O 3.51Å; L60-Y109 WeakPolarHBondContact CA-O 3.49Å; L60-A111 HydrophobicContact CD1-CB 3.82Å; L60-A116 HydrophobicContact CD1-CB 4.11Å; L60-A116 HydrophobicContact CD2-CB 4.15Å; L60-L119 HydrophobicContact CD1-CD2 4.03Å; L60-L132 HydrophobicContact CB-CD2 4.05Å; L60-L134 PolarHBondContact N-O 3.09Å; L60-V135 HydrophobicContact CB-CB 4.5Å; L60-V135 HydrophobicContact CB-CG1 4.22Å; L60-V135 HydrophobicContact CB-CG2 4.03Å; L60-V135 HydrophobicContact CD2-CG1 4.12Å; L60-V135 HydrophobicContact CD2-CG2 4.27Å; L60-V135 HydrophobicContact CG-CG1 4.07Å; L60-V135 CarbonylContact O-C 3.44Å; L60-V135 VanDerWaalsContact O-CA 3.27Å; L60-V135 WeakPolarHBondContact O-CA 3.47Å; L60-V136 PolarHBondContact O-N 3.39Å
61F98.2Very high90.5Very high1 Ų140.3 Ų40.30%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-110.2107.6176.2-167.4-172.1000109.9I48 L63 K72 Y109 V110 A111 V136 D138 M172I48-F61 HydrophobicContact CD1-CB 4.39Å; I48-F61 HydrophobicContact CD1-CD1 3.66Å; I48-F61 HydrophobicContact CD1-CE1 4.07Å; I48-F61 HydrophobicContact CD1-CG 4.08Å; F61-L63 HydrophobicContact CD2-CD2 4.33Å; F61-L63 HydrophobicContact CD2-CG 4.37Å; F61-L63 HydrophobicContact CE1-CD2 4.48Å; F61-L63 HydrophobicContact CE2-CD2 3.79Å; F61-L63 HydrophobicContact CE2-CG 4.32Å; F61-L63 HydrophobicContact CZ-CD2 3.88Å; F61-K72 HydrophobicContact CE1-CD 4.29Å; F61-Y109 PolarHBondContact N-O 3.04Å; F61-V110 WeakPolarHBondContact O-CA 3.48Å; F61-A111 PolarHBondContact O-N 3.08Å; F61-V136 HydrophobicContact CD2-CB 3.78Å; F61-V136 HydrophobicContact CD2-CG1 3.84Å; F61-V136 HydrophobicContact CE2-CB 4.17Å; F61-V136 HydrophobicContact CE2-CG1 3.69Å; F61-D138 HydrophobicContact CE2-CB 4.33Å; F61-M172 HydrophobicContact CE2-CE 4.42Å
62V98.2Very high90.4Very high1 Ų141 Ų411%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-94.5124.3-175.9-170.80000110.1L60 A111 I113 A116 V135 V136 I137 D138 L156L60-V62 HydrophobicContact CD1-CG2 4.26Å; L60-V62 HydrophobicContact CD2-CG2 4.31Å; L60-V62 HydrophobicContact CG-CG2 3.89Å; V62-A111 WeakPolarHBondContact CA-O 3.43Å; V62-I113 HydrophobicContact CG1-CB 4.43Å; V62-I113 HydrophobicContact CG1-CG1 3.89Å; V62-A116 HydrophobicContact CB-CB 4.49Å; V62-A116 HydrophobicContact CG1-CB 4.1Å; V62-A116 HydrophobicContact CG2-CB 3.69Å; V62-V135 HydrophobicContact CG2-CG1 4.03Å; V62-V136 PolarHBondContact N-O 2.94Å; V62-I137 HydrophobicContact CB-CG1 4.26Å; V62-I137 HydrophobicContact CG2-CG1 4.29Å; V62-D138 PolarHBondContact O-N 2.95Å; V62-L156 HydrophobicContact CG2-CD2 4Å
63L96.3Very high90.4Very high1 Ų140.7 Ų40.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-128150.6-178.1-64.2163.3000110F61 Y65 I68 V69 K72 V110 A111 T112 D138F61-L63 HydrophobicContact CD2-CD2 4.33Å; F61-L63 HydrophobicContact CD2-CG 4.37Å; F61-L63 HydrophobicContact CE1-CD2 4.48Å; F61-L63 HydrophobicContact CE2-CD2 3.79Å; F61-L63 HydrophobicContact CE2-CG 4.32Å; F61-L63 HydrophobicContact CZ-CD2 3.88Å; L63-Y65 PolarHBondContact O-N 2.94Å; L63-I68 HydrophobicContact CB-CG2 4.45Å; L63-I68 HydrophobicContact CD1-CG2 4.15Å; L63-I68 HydrophobicContact CD2-CG2 4.04Å; L63-I68 HydrophobicContact CG-CG2 4.45Å; L63-V69 HydrophobicContact CB-CG2 3.8Å; L63-V69 HydrophobicContact CD1-CG2 4.11Å; L63-K72 HydrophobicContact CD1-CB 3.83Å; L63-K72 HydrophobicContact CD1-CG 3.74Å; L63-V110 HydrophobicContact CD1-CG1 3.56Å; L63-A111 PolarHBondContact N-O 3.36Å; L63-T112 WeakPolarHBondContact O-CA 3.42Å; L63-D138 HydrophobicContact CD2-CB 3.78Å
64P90.5Very high90.4Very high7 Ų743.5 Ų43.55%0.04522%0.218CC..SBendtrans-72.8-31.4-170.326.6-35.7000114.4I68 E139 L142P64-I68 HydrophobicContact CG-CD1 4.19Å; P64-E139 HydrophobicContact CG-CG 4.37Å; P64-L142 HydrophobicContact CB-CD1 3.43Å; P64-L142 VanDerWaalsContact CB-CD1 3.43Å; P64-L142 HydrophobicContact CG-CD1 4.33Å
65Y89Confident90.5Very high107 Ų10744.2 Ų44.242%0.4222%0.218SC..SBendtrans-128.7145-169.5-55.5-61.4000112.1L63 S67 I68 V69L63-Y65 PolarHBondContact O-N 2.94Å; Y65-S67 PolarHBondContact O-N 2.92Å; Y65-I68 HydrophobicContact CD2-CD1 3.85Å; Y65-I68 PolarHBondContact O-N 2.86Å; Y65-I68 VanDerWaalsContact O-N 3.13Å; Y65-V69 PolarHBondContact O-N 3.38Å
66V86.3Confident90.4Very high50 Ų5039.4 Ų39.430%0.30320%0.2SC..Hα-helixtrans-53.7-39.3176.2174.80000111.8V69 Q70 A91 A92 T112V66-V69 PolarHBondContact O-N 3.47Å; V66-Q70 WeakPolarHBondContact O-CG 3.34Å; V66-Q70 PolarHBondContact O-N 3.21Å; V66-A91 HydrophobicContact CB-CB 4.35Å; V66-A91 HydrophobicContact CG1-CB 4Å; V66-A91 HydrophobicContact CG2-CB 4.2Å; V66-A92 HydrophobicContact CG2-CB 4.35Å; V66-T112 HydrophobicContact CG2-CG2 3.87Å
67S85.3Confident90Very high76 Ų7639.9 Ų39.953%0.53120%0.197SC..Hα-helixtrans-62.3-45.217948.80000112.4Y65 Q70 E71Y65-S67 PolarHBondContact O-N 2.92Å; S67-Q70 PolarHBondContact O-N 3.15Å; S67-E71 WeakPolarHBondContact O-CB 3.04Å; S67-E71 PolarHBondContact O-N 2.76Å
68I90Very high88.8Confident53 Ų5339.2 Ų39.227%0.27220%0.2SC..Hα-helixtrans-70-36.5179.7-54.7-179.2000110.2L63 P64 Y65 E71 K72L63-I68 HydrophobicContact CB-CG2 4.45Å; L63-I68 HydrophobicContact CD1-CG2 4.15Å; L63-I68 HydrophobicContact CD2-CG2 4.04Å; L63-I68 HydrophobicContact CG-CG2 4.45Å; P64-I68 HydrophobicContact CG-CD1 4.19Å; Y65-I68 HydrophobicContact CD2-CD1 3.85Å; Y65-I68 PolarHBondContact O-N 2.86Å; Y65-I68 VanDerWaalsContact O-N 3.13Å; I68-E71 PolarHBondContact O-N 3.27Å; I68-K72 HydrophobicContact CG2-CG 4.39Å; I68-K72 WeakPolarHBondContact O-CB 3.35Å; I68-K72 WeakPolarHBondContact O-CG 3.26Å; I68-K72 PolarHBondContact O-N 3.16Å
69V92.5Very high87.8Confident0 Ų041.3 Ų41.30%021%0.211CC..Hα-helixtrans-57.6-49.7170.7170.60000110.8L63 Y65 V66 E71 K72 V73 E89 A91 V110 T112L63-V69 HydrophobicContact CB-CG2 3.8Å; L63-V69 HydrophobicContact CD1-CG2 4.11Å; Y65-V69 PolarHBondContact O-N 3.38Å; V66-V69 PolarHBondContact O-N 3.47Å; V69-E71 PolarHBondContact O-N 2.84Å; V69-K72 PolarHBondContact O-N 3.36Å; V69-V73 HydrophobicContact CG1-CG2 4.28Å; V69-V73 WeakPolarHBondContact O-CB 3.18Å; V69-V73 VanDerWaalsContact O-CG2 3.27Å; V69-V73 WeakPolarHBondContact O-CG2 3.23Å; V69-V73 PolarHBondContact O-N 3.45Å; V69-E89 HydrophobicContact CG1-CG 4.02Å; V69-A91 HydrophobicContact CB-CB 4.09Å; V69-A91 HydrophobicContact CG1-CB 3.75Å; V69-A91 HydrophobicContact CG2-CB 4.45Å; V69-V110 HydrophobicContact CB-CG1 4.35Å; V69-V110 HydrophobicContact CG1-CB 4.29Å; V69-V110 HydrophobicContact CG1-CG1 3.89Å; V69-V110 WeakPolarHBondContact CG1-O 2.97Å; V69-V110 HydrophobicContact CG2-CG1 4.44Å; V69-T112 HydrophobicContact CG2-CG2 3.92Å
70Q87.5Confident86.6Confident81 Ų8141.3 Ų41.338%0.37921%0.211SC..Hα-helixtrans-63.3-40.9-179.3-76.7173.4-2.700112.8V66 S67 K74 E89V66-Q70 WeakPolarHBondContact O-CG 3.34Å; V66-Q70 PolarHBondContact O-N 3.21Å; S67-Q70 PolarHBondContact O-N 3.15Å; Q70-K74 WeakPolarHBondContact O-CB 3.47Å; Q70-K74 PolarHBondContact O-N 3.39Å; Q70-K74 VanDerWaalsContact O-N 3.08Å; Q70-E89 WeakPolarHBondContact CG-OE1 3.3Å; Q70-E89 PolarHBondContact NE2-OE1 3.21Å; Q70-E89 VanDerWaalsContact NE2-OE1 3.14Å
71E86.7Confident85.1Confident108 Ų10845 Ų4551%0.50523%0.23SC..Hα-helixtrans-59.1-51.8173.2-174.5-176.315200110.7S67 I68 V69 V73 K74 D75S67-E71 WeakPolarHBondContact O-CB 3.04Å; S67-E71 PolarHBondContact O-N 2.76Å; I68-E71 PolarHBondContact O-N 3.27Å; V69-E71 PolarHBondContact O-N 2.84Å; E71-V73 PolarHBondContact O-N 2.99Å; E71-K74 WeakPolarHBondContact O-CB 3.3Å; E71-K74 PolarHBondContact O-N 2.88Å; E71-K74 VanDerWaalsContact O-N 3.11Å; E71-D75 PolarHBondContact O-N 3.35Å
72K89.4Confident83.6Confident22 Ų2250.9 Ų50.910%0.09626%0.262CS..Hα-helixtrans-66-36.5-178.3-74-71.1142.3-144.80113.4T41 E45 F61 L63 I68 V69 K74 D75 L76 V110T41-K72 HydrophobicContact CG2-CD 4.26Å; E45-K72 IonicContact OE1-NZ 3.03Å; E45-K72 PolarHBondContact OE1-NZ 3.19Å; F61-K72 HydrophobicContact CE1-CD 4.29Å; L63-K72 HydrophobicContact CD1-CB 3.83Å; L63-K72 HydrophobicContact CD1-CG 3.74Å; I68-K72 HydrophobicContact CG2-CG 4.39Å; I68-K72 WeakPolarHBondContact O-CB 3.35Å; I68-K72 WeakPolarHBondContact O-CG 3.26Å; I68-K72 PolarHBondContact O-N 3.16Å; V69-K72 PolarHBondContact O-N 3.36Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K72-D75 IonicContact NZ-OD2 3.31Å; K72-D75 PolarHBondContact NZ-OD2 2.74Å; K72-D75 PolarHBondContact O-N 2.89Å; K72-L76 WeakPolarHBondContact O-CB 3.49Å; K72-L76 VanDerWaalsContact O-CG 3.32Å; K72-L76 WeakPolarHBondContact O-CG 3.22Å; K72-L76 PolarHBondContact O-N 2.87Å; K72-V110 HydrophobicContact CB-CG1 4.14Å
73V87Confident82.4Confident5 Ų553.9 Ų53.93%0.0328%0.277CS..Hα-helixtrans-59.6-47.2171.5167.30000110.3V69 E71 D75 L76 I77 V87 E89 V110V69-V73 HydrophobicContact CG1-CG2 4.28Å; V69-V73 WeakPolarHBondContact O-CB 3.18Å; V69-V73 VanDerWaalsContact O-CG2 3.27Å; V69-V73 WeakPolarHBondContact O-CG2 3.23Å; V69-V73 PolarHBondContact O-N 3.45Å; E71-V73 PolarHBondContact O-N 2.99Å; V73-D75 VanDerWaalsContact C-N 3.31Å; V73-D75 PolarHBondContact O-N 3.47Å; V73-L76 PolarHBondContact O-N 3.3Å; V73-I77 HydrophobicContact CG1-CD1 3.69Å; V73-I77 HydrophobicContact CG1-CG1 4.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.42Å; V73-I77 WeakPolarHBondContact O-CG1 3.35Å; V73-I77 PolarHBondContact O-N 3.24Å; V73-V87 HydrophobicContact CB-CG1 4.33Å; V73-V87 HydrophobicContact CG1-CG1 4.16Å; V73-V87 HydrophobicContact CG2-CG1 4.2Å; V73-E89 HydrophobicContact CG1-CB 4.41Å; V73-E89 HydrophobicContact CG2-CB 3.94Å; V73-E89 HydrophobicContact CG2-CG 4.21Å; V73-V110 HydrophobicContact CG2-CB 3.68Å; V73-V110 HydrophobicContact CG2-CG1 4.15Å; V73-V110 HydrophobicContact CG2-CG2 3.93Å
74K81.4Confident81.3Confident127 Ų12757 Ų5755%0.55229%0.294SS*.Hα-helixtrans-61.5-38.9178.9-175-173.6172.9-165.80112.3Q70 E71 K72 P78Q70-K74 WeakPolarHBondContact O-CB 3.47Å; Q70-K74 PolarHBondContact O-N 3.39Å; Q70-K74 VanDerWaalsContact O-N 3.08Å; E71-K74 WeakPolarHBondContact O-CB 3.3Å; E71-K74 PolarHBondContact O-N 2.88Å; E71-K74 VanDerWaalsContact O-N 3.11Å; K72-K74 VanDerWaalsContact C-N 3.34Å; K74-P78 VanDerWaalsContact O-CD 3.3Å; K74-P78 WeakPolarHBondContact O-CD 3.49Å
75D83.1Confident80.9Confident76 Ų7657 Ų5741%0.40629%0.294SS..Hα-helixtrans-71-38.5178.9-66.4-13.3000112.7E71 K72 V73 P78E71-D75 PolarHBondContact O-N 3.35Å; K72-D75 IonicContact NZ-OD2 3.31Å; K72-D75 PolarHBondContact NZ-OD2 2.74Å; K72-D75 PolarHBondContact O-N 2.89Å; V73-D75 VanDerWaalsContact C-N 3.31Å; V73-D75 PolarHBondContact O-N 3.47Å; D75-P78 WeakPolarHBondContact O-CD 3.36Å
76L83.3Confident80.7Confident4 Ų453.2 Ų53.22%0.02128%0.28CS..Hα-helixtrans-83-24.9-175.9-72.2172.5000113.5E45 K72 V73 L79 G80 V87 V108 V110E45-L76 HydrophobicContact CG-CD2 4.36Å; K72-L76 WeakPolarHBondContact O-CB 3.49Å; K72-L76 VanDerWaalsContact O-CG 3.32Å; K72-L76 WeakPolarHBondContact O-CG 3.22Å; K72-L76 PolarHBondContact O-N 2.87Å; V73-L76 PolarHBondContact O-N 3.3Å; L76-L79 HydrophobicContact CD2-CD2 4.12Å; L76-L79 WeakPolarHBondContact O-CB 3.3Å; L76-L79 PolarHBondContact O-N 3.28Å; L76-L79 VanDerWaalsContact O-N 3.14Å; L76-G80 PolarHBondContact O-N 3.46Å; L76-V87 HydrophobicContact CB-CG1 4.06Å; L76-V87 HydrophobicContact CB-CG2 3.83Å; L76-V108 HydrophobicContact CD1-CG1 4.23Å; L76-V110 HydrophobicContact CD1-CG2 4.12Å
77I79.4Confident80.7Confident37 Ų3751.3 Ų51.319%0.1927%0.269CS..Hα-helixtrans-52.7-51.5-179.9-82.2165.8000112.4V73 L79 G80 L81 V87V73-I77 HydrophobicContact CG1-CD1 3.69Å; V73-I77 HydrophobicContact CG1-CG1 4.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.42Å; V73-I77 WeakPolarHBondContact O-CG1 3.35Å; V73-I77 PolarHBondContact O-N 3.24Å; I77-L79 VanDerWaalsContact C-N 3.29Å; I77-L79 PolarHBondContact O-N 3.09Å; I77-G80 PolarHBondContact O-N 3.14Å; I77-L81 HydrophobicContact CG2-CD1 3.53Å; I77-L81 WeakPolarHBondContact O-CD1 3.22Å; I77-L81 PolarHBondContact O-N 3.45Å; I77-L81 VanDerWaalsContact O-N 3.1Å; I77-V87 HydrophobicContact CG1-CB 4.14Å; I77-V87 HydrophobicContact CG1-CG1 4.43Å
78P69.8Low81Confident59 Ų5948.5 Ų48.538%0.38325%0.247SC..Hα-helixtrans-52.9-47.2176.5-26.534.2000112.6K74 D75 L81 D82K74-P78 VanDerWaalsContact O-CD 3.3Å; K74-P78 WeakPolarHBondContact O-CD 3.49Å; D75-P78 WeakPolarHBondContact O-CD 3.36Å; P78-L81 PolarHBondContact O-N 2.81Å; P78-D82 VanDerWaalsContact O-CG 3.32Å; P78-D82 PolarHBondContact O-N 3.19Å
79L73.1Confident81.1Confident52 Ų5247 Ų4727%0.27224%0.239SC..Hα-helixtrans-65.1-42.1-179.4-174.865.1000112.7L49 L76 I77 L81 D82 L83 F85L49-L79 HydrophobicContact CD1-CD2 4.11Å; L49-L79 HydrophobicContact CD2-CD2 3.82Å; L49-L79 HydrophobicContact CD2-CG 4.11Å; L49-L79 HydrophobicContact CG-CD2 4.22Å; L76-L79 HydrophobicContact CD2-CD2 4.12Å; L76-L79 WeakPolarHBondContact O-CB 3.3Å; L76-L79 PolarHBondContact O-N 3.28Å; L76-L79 VanDerWaalsContact O-N 3.14Å; I77-L79 VanDerWaalsContact C-N 3.29Å; I77-L79 PolarHBondContact O-N 3.09Å; L79-L81 PolarHBondContact O-N 3.44Å; L79-D82 PolarHBondContact O-N 2.87Å; L79-L83 HydrophobicContact CD1-CD1 3.55Å; L79-L83 HydrophobicContact CD1-CG 4.19Å; L79-L83 HydrophobicContact CG-CD1 4.02Å; L79-L83 WeakPolarHBondContact O-CB 3.21Å; L79-L83 PolarHBondContact O-N 2.8Å; L79-F85 HydrophobicContact CB-CZ 4.41Å; L79-F85 HydrophobicContact CD2-CZ 4.32Å; L79-F85 HydrophobicContact CG-CE1 4.26Å; L79-F85 HydrophobicContact CG-CZ 4.04Å
80G73.1Confident81.1Confident1 Ų147.1 Ų47.11%0.0124%0.239CC..Hα-helixtrans-59.9-35.4175.300000112.5L76 I77 D84 F85L76-G80 PolarHBondContact O-N 3.46Å; I77-G80 PolarHBondContact O-N 3.14Å; G80-D84 CarbonylContact O-C 3.57Å; G80-D84 WeakPolarHBondContact O-CA 3.46Å; G80-D84 PolarHBondContact O-N 2.9Å; G80-F85 CarbonylContact C-O 3.55Å; G80-F85 VanDerWaalsContact CA-O 3.31Å; G80-F85 WeakPolarHBondContact CA-O 3.49Å; G80-F85 PolarHBondContact O-N 3.36Å
81L66.6Low81.1Confident78 Ų7843.2 Ų43.241%0.40822%0.221SC..Hα-helixtrans-78.4-33.2178.8-74.4134.3000113.6I77 P78 L79 L83 R637I77-L81 HydrophobicContact CG2-CD1 3.53Å; I77-L81 WeakPolarHBondContact O-CD1 3.22Å; I77-L81 PolarHBondContact O-N 3.45Å; I77-L81 VanDerWaalsContact O-N 3.1Å; P78-L81 PolarHBondContact O-N 2.81Å; L79-L81 PolarHBondContact O-N 3.44Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-R637 VanDerWaalsContact CG-NH2 3.31Å
82D67Low80.8Confident124 Ų12439.7 Ų39.766%0.66321%0.211SC*.Hα-helixtrans-72.5-30.5175.5-64.2-16.5000111.6P78 L79P78-D82 VanDerWaalsContact O-CG 3.32Å; P78-D82 PolarHBondContact O-N 3.19Å; L79-D82 PolarHBondContact O-N 2.87Å
83L72.1Confident79.8Confident63 Ų6340.7 Ų40.733%0.3322%0.22SC..THydrogen-bonded Turntrans-109.913.5-177-60178.9000114.3L49 V53 L79 L81 F85L49-L83 HydrophobicContact CD1-CD1 4.46Å; L49-L83 HydrophobicContact CD2-CD1 3.52Å; V53-L83 HydrophobicContact CG2-CD1 4.44Å; L79-L83 HydrophobicContact CD1-CD1 3.55Å; L79-L83 HydrophobicContact CD1-CG 4.19Å; L79-L83 HydrophobicContact CG-CD1 4.02Å; L79-L83 WeakPolarHBondContact O-CB 3.21Å; L79-L83 PolarHBondContact O-N 2.8Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L83-F85 HydrophobicContact CB-CD1 3.81Å; L83-F85 HydrophobicContact CB-CE1 3.78Å; L83-F85 HydrophobicContact CD1-CE1 4.17Å; L83-F85 PolarHBondContact O-N 3.31Å
84D74.7Confident79.2Confident68 Ų6844.3 Ų44.336%0.36424%0.236SC..THydrogen-bonded Turntrans55.641.4175.3-156.435.2000116.8G80 K105G80-D84 CarbonylContact O-C 3.57Å; G80-D84 WeakPolarHBondContact O-CA 3.46Å; G80-D84 PolarHBondContact O-N 2.9Å; D84-K105 WeakPolarHBondContact OD1-CE 3.5Å; D84-K105 IonicContact OD1-NZ 3.5Å; D84-K105 PolarHBondContact OD1-NZ 3.38Å
85F81.5Confident79.2Confident7 Ų739.5 Ų39.53%0.03122%0.222CC..  trans-122.2161169.269.1-99.1000112.2L49 I52 L79 G80 L83 V87 R106 V108L49-F85 HydrophobicContact CD2-CE1 3.68Å; L49-F85 HydrophobicContact CD2-CZ 4.04Å; I52-F85 HydrophobicContact CD1-CB 4.38Å; I52-F85 HydrophobicContact CD1-CD2 4.01Å; I52-F85 HydrophobicContact CD1-CE2 4.46Å; I52-F85 HydrophobicContact CD1-CG 4.13Å; I52-F85 HydrophobicContact CG2-CB 3.58Å; I52-F85 HydrophobicContact CG2-CD1 3.81Å; I52-F85 HydrophobicContact CG2-CG 3.81Å; L79-F85 HydrophobicContact CB-CZ 4.41Å; L79-F85 HydrophobicContact CD2-CZ 4.32Å; L79-F85 HydrophobicContact CG-CE1 4.26Å; L79-F85 HydrophobicContact CG-CZ 4.04Å; G80-F85 CarbonylContact C-O 3.55Å; G80-F85 VanDerWaalsContact CA-O 3.31Å; G80-F85 WeakPolarHBondContact CA-O 3.49Å; G80-F85 PolarHBondContact O-N 3.36Å; L83-F85 HydrophobicContact CB-CD1 3.81Å; L83-F85 HydrophobicContact CB-CE1 3.78Å; L83-F85 HydrophobicContact CD1-CE1 4.17Å; L83-F85 PolarHBondContact O-N 3.31Å; F85-V87 HydrophobicContact CD2-CG2 4.19Å; F85-V87 HydrophobicContact CE2-CG2 3.76Å; F85-R106 WeakPolarHBondContact CB-O 3.44Å; F85-V108 HydrophobicContact CD2-CG2 3.7Å; F85-V108 HydrophobicContact CE2-CG2 3.54Å; F85-V108 HydrophobicContact CZ-CG2 4.49Å
86L84.4Confident79.1Confident27 Ų2743.1 Ų43.114%0.14123%0.23CC..EExtended strand (participates in β ladder)trans-96.9149.1-178.6-60.5178.6000111.3R102 K105 R106 S107 V108L86-R102 HydrophobicContact CD1-CG 3.74Å; L86-R102 VanDerWaalsContact CD1-NE 3.31Å; L86-K105 HydrophobicContact CD1-CB 4.43Å; L86-K105 HydrophobicContact CD2-CD 4.12Å; L86-K105 HydrophobicContact CG-CB 4.19Å; L86-K105 HydrophobicContact CG-CD 4.24Å; L86-R106 PolarHBondContact N-O 2.92Å; L86-S107 CarbonylContact O-C 3.59Å; L86-S107 WeakPolarHBondContact O-CA 3.47Å; L86-V108 PolarHBondContact O-N 3.29Å
87V87.4Confident79.1Confident9 Ų944.1 Ų44.16%0.05524%0.235CC..EExtended strand (participates in β ladder)trans-121.5119.2173.1-178.40000107.6V73 L76 I77 F85 V108 V110V73-V87 HydrophobicContact CB-CG1 4.33Å; V73-V87 HydrophobicContact CG1-CG1 4.16Å; V73-V87 HydrophobicContact CG2-CG1 4.2Å; L76-V87 HydrophobicContact CB-CG1 4.06Å; L76-V87 HydrophobicContact CB-CG2 3.83Å; I77-V87 HydrophobicContact CG1-CB 4.14Å; I77-V87 HydrophobicContact CG1-CG1 4.43Å; F85-V87 HydrophobicContact CD2-CG2 4.19Å; F85-V87 HydrophobicContact CE2-CG2 3.76Å; V87-V108 WeakPolarHBondContact CA-O 3.5Å; V87-V110 HydrophobicContact CG1-CG2 4.06Å
88E90.9Very high79.4Confident17 Ų1744.9 Ų44.98%0.07924%0.243CC..EExtended strand (participates in β ladder)trans-118131.6-175.3-60.4-178.4-142.200111.6Y90 S107 V108 Y109 V110E88-Y90 HydrophobicContact CB-CD2 4.13Å; E88-Y90 HydrophobicContact CB-CE2 3.54Å; E88-Y90 WeakPolarHBondContact OE2-CE2 3.44Å; E88-Y90 PolarHBondContact OE2-OH 3.28Å; E88-S107 WeakPolarHBondContact OE1-CB 3.49Å; E88-S107 PolarHBondContact OE1-OG 3.06Å; E88-V108 PolarHBondContact N-O 3.03Å; E88-Y109 HydrophobicContact CB-CD1 4.14Å; E88-Y109 HydrophobicContact CG-CD1 4.45Å; E88-Y109 WeakPolarHBondContact OE1-CE1 3.19Å; E88-V110 PolarHBondContact O-N 2.86Å
89E91.5Very high80.2Confident23 Ų2342.2 Ų42.211%0.10723%0.225CC..EExtended strand (participates in β ladder)trans-89.9117.7-179.5-173.5-175.7163.200111.3V69 Q70 V73 A91 K94 G95V69-E89 HydrophobicContact CG1-CG 4.02Å; Q70-E89 WeakPolarHBondContact CG-OE1 3.3Å; Q70-E89 PolarHBondContact NE2-OE1 3.21Å; Q70-E89 VanDerWaalsContact NE2-OE1 3.14Å; V73-E89 HydrophobicContact CG1-CB 4.41Å; V73-E89 HydrophobicContact CG2-CB 3.94Å; V73-E89 HydrophobicContact CG2-CG 4.21Å; E89-A91 HydrophobicContact CG-CB 4.33Å; E89-K94 HydrophobicContact CG-CD 4.18Å; E89-K94 CarbonylContact O-C 3.56Å; E89-K94 WeakPolarHBondContact OE1-CD 3.4Å; E89-K94 IonicContact OE1-NZ 3.16Å; E89-K94 PolarHBondContact OE1-NZ 2.95Å; E89-K94 WeakPolarHBondContact OE2-CD 3.35Å; E89-K94 IonicContact OE2-NZ 3.25Å; E89-K94 PolarHBondContact OE2-NZ 3Å; E89-G95 VanDerWaalsContact O-CA 3.23Å; E89-G95 WeakPolarHBondContact O-CA 3.4Å; E89-G95 PolarHBondContact O-N 3.48Å; E89-G95 VanDerWaalsContact O-N 3.16Å
90Y93.2Very high80.6Confident1 Ų140.1 Ų40.10%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-117.773.2174.7-74.4-99.3000109.9E88 R96 I97 P99 Y109 V110 A111 T112 R115 L119E88-Y90 HydrophobicContact CB-CD2 4.13Å; E88-Y90 HydrophobicContact CB-CE2 3.54Å; E88-Y90 WeakPolarHBondContact OE2-CE2 3.44Å; E88-Y90 PolarHBondContact OE2-OH 3.28Å; Y90-R96 VanDerWaalsContact CE1-O 3.31Å; Y90-R96 WeakPolarHBondContact CE1-O 3.5Å; Y90-R96 PolarHBondContact OH-O 3.36Å; Y90-R96 VanDerWaalsContact OH-O 3.06Å; Y90-I97 HydrophobicContact CD1-CG1 4.46Å; Y90-I97 HydrophobicContact CE1-CG1 4.05Å; Y90-P99 WeakPolarHBondContact OH-CB 3.44Å; Y90-Y109 HydrophobicContact CD2-CD1 4.28Å; Y90-Y109 AromaticContact CE2-CD1 3.61Å; Y90-Y109 HydrophobicContact CE2-CD1 3.61Å; Y90-Y109 HydrophobicContact CE2-CE1 4.36Å; Y90-Y109 HydrophobicContact CE2-CG 4.48Å; Y90-V110 PolarHBondContact N-O 3.31Å; Y90-A111 VanDerWaalsContact O-CA 3.25Å; Y90-A111 WeakPolarHBondContact O-CA 3.5Å; Y90-T112 PolarHBondContact O-N 3.25Å; Y90-R115 WeakPolarHBondContact O-CB 3.29Å; Y90-R115 WeakPolarHBondContact O-CG 3.47Å; Y90-L119 HydrophobicContact CD1-CD1 4.4Å; Y90-L119 HydrophobicContact CD1-CD2 4.47Å; Y90-L119 HydrophobicContact CD2-CD2 4.4Å; Y90-L119 HydrophobicContact CE1-CD1 3.87Å; Y90-L119 HydrophobicContact CG-CD2 4.41Å
91A87.9Confident80.9Confident0 Ų045.2 Ų45.20%024%0.236CC..SBendtrans-139143.9179.700000111.5V66 V69 E89 S93 K94 T112V66-A91 HydrophobicContact CB-CB 4.35Å; V66-A91 HydrophobicContact CG1-CB 4Å; V66-A91 HydrophobicContact CG2-CB 4.2Å; V69-A91 HydrophobicContact CB-CB 4.09Å; V69-A91 HydrophobicContact CG1-CB 3.75Å; V69-A91 HydrophobicContact CG2-CB 4.45Å; E89-A91 HydrophobicContact CG-CB 4.33Å; A91-S93 PolarHBondContact O-N 3.1Å; A91-K94 WeakPolarHBondContact O-CB 3.45Å; A91-K94 PolarHBondContact O-N 3.32Å; A91-T112 HydrophobicContact CB-CG2 3.87Å
92A79.6Confident81.2Confident34 Ų3442.4 Ų42.428%0.28122%0.22SC..THydrogen-bonded Turntrans50.3-124.5-173.800000111.9V66 K94V66-A92 HydrophobicContact CG2-CB 4.35Å; A92-K94 VanDerWaalsContact C-N 3.33Å
93S69.9Low81.2Confident43 Ų4342.8 Ų42.830%0.30121%0.212SC..THydrogen-bonded Turntrans-85.62.6177.858.50000114.5A91 Q577A91-S93 PolarHBondContact O-N 3.1Å; S93-Q577 PolarHBondContact OG-NE2 2.99Å
94K74.4Confident81Confident80 Ų8048.9 Ų48.935%0.34823%0.231SC..  trans-90.6163.1179.1-64.8173.3173.9-179.70112.3E89 A91 A92 R115E89-K94 HydrophobicContact CG-CD 4.18Å; E89-K94 CarbonylContact O-C 3.56Å; E89-K94 WeakPolarHBondContact OE1-CD 3.4Å; E89-K94 IonicContact OE1-NZ 3.16Å; E89-K94 PolarHBondContact OE1-NZ 2.95Å; E89-K94 WeakPolarHBondContact OE2-CD 3.35Å; E89-K94 IonicContact OE2-NZ 3.25Å; E89-K94 PolarHBondContact OE2-NZ 3Å; A91-K94 WeakPolarHBondContact O-CB 3.45Å; A91-K94 PolarHBondContact O-N 3.32Å; A92-K94 VanDerWaalsContact C-N 3.33Å; K94-R115 PolarHBondContact O-NE 3.09Å; K94-R115 PolarHBondContact O-NH2 3.14Å
95G80.5Confident81.2Confident26 Ų2647.6 Ų47.627%0.26822%0.222SC..SBendtrans92.1118.4-178.400000111.6E89 R115E89-G95 VanDerWaalsContact O-CA 3.23Å; E89-G95 WeakPolarHBondContact O-CA 3.4Å; E89-G95 PolarHBondContact O-N 3.48Å; E89-G95 VanDerWaalsContact O-N 3.16Å; G95-R115 PolarHBondContact O-NH2 2.86Å
96R81Confident81.5Confident153 Ų15351.4 Ų51.458%0.57724%0.236SC*.  trans-78.7133.6-178.3-178.9178.1166.1166.4-0.8109.9Y90 P98 P99Y90-R96 VanDerWaalsContact CE1-O 3.31Å; Y90-R96 WeakPolarHBondContact CE1-O 3.5Å; Y90-R96 PolarHBondContact OH-O 3.36Å; Y90-R96 VanDerWaalsContact OH-O 3.06Å; R96-P98 CarbonylContact O-C 3.56Å; R96-P99 WeakPolarHBondContact O-CA 3.32Å
97I82.8Confident81.9Confident24 Ų2450.2 Ų50.212%0.12323%0.23CC..SBendtrans-129.4117.6179.3-57.9-170.5000109.6Y90 T118 S122 R554Y90-I97 HydrophobicContact CD1-CG1 4.46Å; Y90-I97 HydrophobicContact CE1-CG1 4.05Å; I97-T118 HydrophobicContact CD1-CG2 3.3Å; I97-S122 WeakPolarHBondContact CG2-OG 3.11Å; I97-R554 VanDerWaalsContact CG2-NH1 3.33Å; I97-R554 PolarHBondContact O-NH1 3.39Å
98P85.7Confident82.3Confident54 Ų5449.8 Ų49.835%0.35123%0.227SC..SBendcis-68.1149.21.427.2-33.9000113.5R96 S122R96-P98 CarbonylContact O-C 3.56Å; P98-S122 VanDerWaalsContact CA-OG 3.23Å; P98-S122 WeakPolarHBondContact CA-OG 3.46Å; P98-S122 WeakPolarHBondContact CB-OG 3.34Å
99P88Confident82.6Confident2 Ų249 Ų491%0.01322%0.224CC..PPolyproline II helixtrans-58.9141.8170.326-34.7000109.1Y90 R96 Y109 L119 L123 R128Y90-P99 WeakPolarHBondContact OH-CB 3.44Å; R96-P99 WeakPolarHBondContact O-CA 3.32Å; P99-Y109 HydrophobicContact CB-CE1 3.97Å; P99-L119 HydrophobicContact CB-CD1 4.17Å; P99-L119 HydrophobicContact CG-CD1 3.68Å; P99-L123 HydrophobicContact CG-CD2 3.65Å; P99-L123 HydrophobicContact CG-CG 4.23Å; P99-R128 PolarHBondContact O-NH1 3.32Å; P99-R128 PolarHBondContact O-NH2 3.4Å
100I80.9Confident82.9Confident8 Ų848 Ų484%0.04122%0.219CC..PPolyproline II helixtrans-70135.9179.6-48.5175.5000108.8E645I100-E645 HydrophobicContact CD1-CB 4.14Å; I100-E645 WeakPolarHBondContact CD1-O 3.27Å
101K78.6Confident83.1Confident108 Ų10847.9 Ų47.947%0.4722%0.218SC..PPolyproline II helixtrans-72.7140.2177.1-164.8175.8180179.40109.4E652K101-E652 VanDerWaalsContact CB-CD 3.46Å; K101-E652 WeakPolarHBondContact CB-OE1 3.47Å; K101-E652 PolarHBondContact N-OE2 3.31Å
102R73Confident83.4Confident19 Ų1948.2 Ų48.27%0.07222%0.22CC..  trans-114.7128.6-178.9-59.3-69.7-177.8-122.5-7.9108.7L86 K105 E648L86-R102 HydrophobicContact CD1-CG 3.74Å; L86-R102 VanDerWaalsContact CD1-NE 3.31Å; R102-K105 WeakPolarHBondContact CB-O 3.08Å; R102-E648 VanDerWaalsContact NH1-CB 3.28Å
103R66.4Low84.1Confident132 Ų13246.8 Ų46.850%0.49821%0.208SC..SBendtrans-71.3-42.6-176.1-66.2-168.5-171.7168.815.1113.5E648 L651 E655R103-E648 PolarHBondContact N-OE2 3.42Å; R103-L651 PolarHBondContact NH2-O 2.97Å; R103-E655 IonicContact CZ-OE1 3.43Å; R103-E655 IonicContact CZ-OE2 3.34Å; R103-E655 IonicContact NE-OE1 2.97Å; R103-E655 PolarHBondContact NE-OE1 2.83Å; R103-E655 IonicContact NE-OE2 2.94Å; R103-E655 PolarHBondContact NE-OE2 3.21Å; R103-E655 IonicContact NH1-OE1 3.53Å; R103-E655 PolarHBondContact NH1-OE1 2.85Å; R103-E655 VanDerWaalsContact NH1-OE1 3.16Å; R103-E655 VanDerWaalsContact NH2-CG 3.35Å; R103-E655 IonicContact NH2-OE1 3.02Å; R103-E655 PolarHBondContact NH2-OE1 2.75Å; R103-E655 IonicContact NH2-OE2 3.59Å; R103-E655 PolarHBondContact NH2-OE2 3.25Å
104R69.3Low85.1Confident192 Ų19247.8 Ų47.873%0.72521%0.208SC*.SBendtrans-112.8-26.9-170.3-68.1-176.7175.7171.1-0.9114.7
105K78.3Confident85.9Confident41 Ų4146.2 Ų46.218%0.17820%0.2CC..  trans-105.4150-173.7-55.8-166.1-171-160.10111D84 L86 R102D84-K105 WeakPolarHBondContact OD1-CE 3.5Å; D84-K105 IonicContact OD1-NZ 3.5Å; D84-K105 PolarHBondContact OD1-NZ 3.38Å; L86-K105 HydrophobicContact CD1-CB 4.43Å; L86-K105 HydrophobicContact CD2-CD 4.12Å; L86-K105 HydrophobicContact CG-CB 4.19Å; L86-K105 HydrophobicContact CG-CD 4.24Å; R102-K105 WeakPolarHBondContact CB-O 3.08Å
106R87.7Confident86.6Confident87 Ų8745 Ų4533%0.32819%0.187SC..  trans-98.3157.4170.1-58.5-53.8-179.7-171.83.7110.5I52 G56 D58 F85 L86I52-R106 HydrophobicContact CG1-CB 4.45Å; I52-R106 HydrophobicContact CG2-CB 4.29Å; G56-R106 PolarHBondContact O-NE 3.4Å; G56-R106 PolarHBondContact O-NH2 3.33Å; D58-R106 VanDerWaalsContact OD1-CA 3.29Å; D58-R106 WeakPolarHBondContact OD1-CA 3.42Å; D58-R106 WeakPolarHBondContact OD1-CB 3.36Å; D58-R106 WeakPolarHBondContact OD1-CD 3.44Å; F85-R106 WeakPolarHBondContact CB-O 3.44Å; L86-R106 PolarHBondContact N-O 2.92Å
107S92.6Very high87.2Confident1 Ų139.2 Ų39.21%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-114.4136.4-177.9-710000111.7D58 V59 L86 E88D58-S107 WeakPolarHBondContact CA-O 3.28Å; D58-S107 PolarHBondContact OD1-N 3.46Å; V59-S107 PolarHBondContact N-O 3.22Å; L86-S107 CarbonylContact O-C 3.59Å; L86-S107 WeakPolarHBondContact O-CA 3.47Å; E88-S107 WeakPolarHBondContact OE1-CB 3.49Å; E88-S107 PolarHBondContact OE1-OG 3.06Å
108V95.5Very high87.7Confident0 Ų039.8 Ų39.80%017%0.171CC..EExtended strand (participates in β ladder)trans-91.8108.5156.3-173.90000107.5I48 I52 V59 L76 F85 L86 V87 E88 V110I48-V108 HydrophobicContact CG2-CG1 4.26Å; I48-V108 HydrophobicContact CG2-CG2 3.62Å; I52-V108 HydrophobicContact CD1-CB 4.32Å; I52-V108 HydrophobicContact CD1-CG2 3.09Å; V59-V108 CarbonylContact O-C 3.55Å; V59-V108 WeakPolarHBondContact O-CA 3.44Å; L76-V108 HydrophobicContact CD1-CG1 4.23Å; F85-V108 HydrophobicContact CD2-CG2 3.7Å; F85-V108 HydrophobicContact CE2-CG2 3.54Å; F85-V108 HydrophobicContact CZ-CG2 4.49Å; L86-V108 PolarHBondContact O-N 3.29Å; V87-V108 WeakPolarHBondContact CA-O 3.5Å; E88-V108 PolarHBondContact N-O 3.03Å; V108-V110 HydrophobicContact CG1-CG2 3.9Å
109Y97.2Very high88.1Confident2 Ų237.2 Ų37.21%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-86.1112171.2-52-70.7000108.9D58 V59 L60 F61 E88 Y90 P99 L119 L123 L132D58-Y109 HydrophobicContact CB-CD2 4.49Å; D58-Y109 HydrophobicContact CB-CE2 3.78Å; D58-Y109 PolarHBondContact OD2-OH 3.43Å; V59-Y109 PolarHBondContact O-N 3.43Å; L60-Y109 CarbonylContact C-O 3.51Å; L60-Y109 WeakPolarHBondContact CA-O 3.49Å; F61-Y109 PolarHBondContact N-O 3.04Å; E88-Y109 HydrophobicContact CB-CD1 4.14Å; E88-Y109 HydrophobicContact CG-CD1 4.45Å; E88-Y109 WeakPolarHBondContact OE1-CE1 3.19Å; Y90-Y109 HydrophobicContact CD2-CD1 4.28Å; Y90-Y109 AromaticContact CE2-CD1 3.61Å; Y90-Y109 HydrophobicContact CE2-CD1 3.61Å; Y90-Y109 HydrophobicContact CE2-CE1 4.36Å; Y90-Y109 HydrophobicContact CE2-CG 4.48Å; P99-Y109 HydrophobicContact CB-CE1 3.97Å; Y109-L119 VanDerWaalsContact CB-CD2 3.44Å; Y109-L119 HydrophobicContact CD1-CD2 3.95Å; Y109-L119 HydrophobicContact CD2-CD2 3.99Å; Y109-L119 HydrophobicContact CG-CD2 3.53Å; Y109-L123 HydrophobicContact CE2-CD1 4.49Å; Y109-L132 HydrophobicContact CD2-CD2 3.91Å; Y109-L132 HydrophobicContact CE2-CD2 4.01Å
110V97.7Very high88.5Confident0 Ų037.4 Ų37.40%016%0.156CC..EExtended strand (participates in β ladder)trans-101.1114.7176.8-168.50000108.3F61 L63 V69 K72 V73 L76 V87 E88 Y90 V108F61-V110 WeakPolarHBondContact O-CA 3.48Å; L63-V110 HydrophobicContact CD1-CG1 3.56Å; V69-V110 HydrophobicContact CB-CG1 4.35Å; V69-V110 HydrophobicContact CG1-CB 4.29Å; V69-V110 HydrophobicContact CG1-CG1 3.89Å; V69-V110 WeakPolarHBondContact CG1-O 2.97Å; V69-V110 HydrophobicContact CG2-CG1 4.44Å; K72-V110 HydrophobicContact CB-CG1 4.14Å; V73-V110 HydrophobicContact CG2-CB 3.68Å; V73-V110 HydrophobicContact CG2-CG1 4.15Å; V73-V110 HydrophobicContact CG2-CG2 3.93Å; L76-V110 HydrophobicContact CD1-CG2 4.12Å; V87-V110 HydrophobicContact CG1-CG2 4.06Å; E88-V110 PolarHBondContact O-N 2.86Å; Y90-V110 PolarHBondContact N-O 3.31Å; V108-V110 HydrophobicContact CG1-CG2 3.9Å
111A97.4Very high89.1Confident0 Ų038.1 Ų38.10%016%0.16CC..EExtended strand (participates in β ladder)trans-135.2149.2-163.500000113.7L60 F61 V62 L63 Y90 R115 A116L60-A111 HydrophobicContact CD1-CB 3.82Å; F61-A111 PolarHBondContact O-N 3.08Å; V62-A111 WeakPolarHBondContact CA-O 3.43Å; L63-A111 PolarHBondContact N-O 3.36Å; Y90-A111 VanDerWaalsContact O-CA 3.25Å; Y90-A111 WeakPolarHBondContact O-CA 3.5Å; A111-R115 HydrophobicContact CB-CB 4.48Å; A111-A116 HydrophobicContact CB-CB 3.88Å
112T95.3Very high89.8Confident6 Ų633 Ų334%0.03714%0.138CC..EExtended strand (participates in β ladder)trans-72.1162.7160.870.60000110.4L63 V66 V69 Y90 A91 E114 R115 A116L63-T112 WeakPolarHBondContact O-CA 3.42Å; V66-T112 HydrophobicContact CG2-CG2 3.87Å; V69-T112 HydrophobicContact CG2-CG2 3.92Å; Y90-T112 PolarHBondContact O-N 3.25Å; A91-T112 HydrophobicContact CB-CG2 3.87Å; T112-E114 VanDerWaalsContact C-N 3.32Å; T112-E114 PolarHBondContact O-N 2.9Å; T112-E114 PolarHBondContact OG1-OE2 3.13Å; T112-R115 PolarHBondContact O-N 3.25Å; T112-R115 VanDerWaalsContact O-N 3.16Å; T112-R115 WeakPolarHBondContact OG1-CG 3.35Å; T112-A116 VanDerWaalsContact O-CB 3.29Å; T112-A116 WeakPolarHBondContact O-CB 3.49Å; T112-A116 PolarHBondContact O-N 2.99Å
113I94.4Very high90.9Very high4 Ų432.2 Ų32.22%0.02114%0.135CC..Hα-helixtrans-51.6-49.3-178.2-63.6171.1000112.1V62 R115 A116 Q117 L142 R149 A152 L153V62-I113 HydrophobicContact CG1-CB 4.43Å; V62-I113 HydrophobicContact CG1-CG1 3.89Å; I113-R115 PolarHBondContact O-N 3.33Å; I113-A116 WeakPolarHBondContact O-CB 3.21Å; I113-A116 PolarHBondContact O-N 3.08Å; I113-Q117 PolarHBondContact O-N 3.12Å; I113-Q117 VanDerWaalsContact O-N 3.11Å; I113-L142 HydrophobicContact CD1-CD1 4.39Å; I113-R149 HydrophobicContact CD1-CB 4.39Å; I113-R149 WeakPolarHBondContact CG2-O 3.05Å; I113-A152 HydrophobicContact CG2-CB 3.87Å; I113-L153 HydrophobicContact CD1-CD2 4.3Å; I113-L153 HydrophobicContact CG2-CB 3.69Å; I113-L153 HydrophobicContact CG2-CD1 4.42Å
114E90.2Very high92.3Very high65 Ų6528.9 Ų28.930%0.30412%0.123SC..Hα-helixtrans-67.9-37.8-176.5-51.588.5160.600111.6T112 T118 R149T112-E114 VanDerWaalsContact C-N 3.32Å; T112-E114 PolarHBondContact O-N 2.9Å; T112-E114 PolarHBondContact OG1-OE2 3.13Å; E114-T118 PolarHBondContact O-N 2.72Å; E114-T118 VanDerWaalsContact O-N 3.16Å; E114-T118 PolarHBondContact O-OG1 3.13Å; E114-R149 VanDerWaalsContact OE1-CG 3.23Å; E114-R149 WeakPolarHBondContact OE1-CG 3.34Å; E114-R149 IonicContact OE1-CZ 2.75Å; E114-R149 IonicContact OE1-NE 2.7Å; E114-R149 PolarHBondContact OE1-NE 3.48Å
115R91.1Very high93.3Very high47 Ų4723.9 Ų23.918%0.17711%0.108CC..Hα-helixtrans-74.6-34.5178.3-61.9-62.9-68.3156.9-4.1111.9Y90 K94 G95 A111 T112 I113 Q117 T118 L119Y90-R115 WeakPolarHBondContact O-CB 3.29Å; Y90-R115 WeakPolarHBondContact O-CG 3.47Å; K94-R115 PolarHBondContact O-NE 3.09Å; K94-R115 PolarHBondContact O-NH2 3.14Å; G95-R115 PolarHBondContact O-NH2 2.86Å; A111-R115 HydrophobicContact CB-CB 4.48Å; T112-R115 PolarHBondContact O-N 3.25Å; T112-R115 VanDerWaalsContact O-N 3.16Å; T112-R115 WeakPolarHBondContact OG1-CG 3.35Å; I113-R115 PolarHBondContact O-N 3.33Å; R115-Q117 VanDerWaalsContact C-N 3.34Å; R115-T118 PolarHBondContact O-N 3.47Å; R115-L119 WeakPolarHBondContact O-CB 3.47Å; R115-L119 PolarHBondContact O-N 2.98Å
116A96.3Very high93.9Very high0 Ų025.3 Ų25.30%012%0.117CC..Hα-helixtrans-60.5-44.2172.800000111.2L60 V62 A111 T112 I113 T118 L119 A120 L156L60-A116 HydrophobicContact CD1-CB 4.11Å; L60-A116 HydrophobicContact CD2-CB 4.15Å; V62-A116 HydrophobicContact CB-CB 4.49Å; V62-A116 HydrophobicContact CG1-CB 4.1Å; V62-A116 HydrophobicContact CG2-CB 3.69Å; A111-A116 HydrophobicContact CB-CB 3.88Å; T112-A116 VanDerWaalsContact O-CB 3.29Å; T112-A116 WeakPolarHBondContact O-CB 3.49Å; T112-A116 PolarHBondContact O-N 2.99Å; I113-A116 WeakPolarHBondContact O-CB 3.21Å; I113-A116 PolarHBondContact O-N 3.08Å; A116-T118 PolarHBondContact O-N 2.6Å; A116-L119 PolarHBondContact O-N 2.93Å; A116-A120 WeakPolarHBondContact O-CB 3.5Å; A116-A120 PolarHBondContact O-N 3.25Å; A116-L156 HydrophobicContact CB-CD2 3.79Å
117Q93.9Very high94.2Very high32 Ų3230.5 Ų30.515%0.1514%0.142CC..Hα-helixtrans-60.8-44.6174.2-165.2-149.47.300111.9I113 R115 A120 N121 K159I113-Q117 PolarHBondContact O-N 3.12Å; I113-Q117 VanDerWaalsContact O-N 3.11Å; R115-Q117 VanDerWaalsContact C-N 3.34Å; Q117-A120 PolarHBondContact O-N 3.15Å; Q117-N121 WeakPolarHBondContact O-CB 3.22Å; Q117-N121 VanDerWaalsContact O-CG 3.27Å; Q117-N121 PolarHBondContact O-N 2.73Å; Q117-N121 PolarHBondContact O-OD1 3.04Å; Q117-K159 VanDerWaalsContact NE2-NZ 3.17Å
118T91.9Very high94.3Very high36 Ų3631.3 Ų31.322%0.22115%0.145CC..Hα-helixtrans-64.7-41.2178.8-46.80000111.4I97 E114 R115 A116 S122I97-T118 HydrophobicContact CD1-CG2 3.3Å; E114-T118 PolarHBondContact O-N 2.72Å; E114-T118 VanDerWaalsContact O-N 3.16Å; E114-T118 PolarHBondContact O-OG1 3.13Å; R115-T118 PolarHBondContact O-N 3.47Å; A116-T118 PolarHBondContact O-N 2.6Å; T118-S122 WeakPolarHBondContact O-CB 3.28Å; T118-S122 PolarHBondContact O-N 3.01Å
119L94.7Very high94.3Very high0 Ų031.6 Ų31.60%015%0.147CC..Hα-helixtrans-64.2-48.2177.1178.163.1000111.6L60 Y90 P99 Y109 R115 A116 N121 S122 L123L60-L119 HydrophobicContact CD1-CD2 4.03Å; Y90-L119 HydrophobicContact CD1-CD1 4.4Å; Y90-L119 HydrophobicContact CD1-CD2 4.47Å; Y90-L119 HydrophobicContact CD2-CD2 4.4Å; Y90-L119 HydrophobicContact CE1-CD1 3.87Å; Y90-L119 HydrophobicContact CG-CD2 4.41Å; P99-L119 HydrophobicContact CB-CD1 4.17Å; P99-L119 HydrophobicContact CG-CD1 3.68Å; Y109-L119 VanDerWaalsContact CB-CD2 3.44Å; Y109-L119 HydrophobicContact CD1-CD2 3.95Å; Y109-L119 HydrophobicContact CD2-CD2 3.99Å; Y109-L119 HydrophobicContact CG-CD2 3.53Å; R115-L119 WeakPolarHBondContact O-CB 3.47Å; R115-L119 PolarHBondContact O-N 2.98Å; A116-L119 PolarHBondContact O-N 2.93Å; L119-N121 VanDerWaalsContact C-N 3.34Å; L119-N121 PolarHBondContact O-N 2.88Å; L119-S122 PolarHBondContact O-N 2.89Å; L119-S122 VanDerWaalsContact O-N 3.16Å; L119-L123 HydrophobicContact CD1-CD1 4.22Å; L119-L123 HydrophobicContact CD1-CG 4.28Å; L119-L123 HydrophobicContact CG-CD1 4.03Å; L119-L123 WeakPolarHBondContact O-CG 3.43Å; L119-L123 PolarHBondContact O-N 3.28Å
120A96.1Very high94.2Very high5 Ų535.7 Ų35.74%0.04117%0.169CC..Hα-helixtrans-60.2-43177.700000111.8A116 Q117 S122 L123 Y124 I129 L156A116-A120 WeakPolarHBondContact O-CB 3.5Å; A116-A120 PolarHBondContact O-N 3.25Å; Q117-A120 PolarHBondContact O-N 3.15Å; A120-S122 VanDerWaalsContact C-N 3.31Å; A120-S122 PolarHBondContact O-N 3.13Å; A120-L123 PolarHBondContact O-N 3.35Å; A120-Y124 WeakPolarHBondContact O-CB 3.35Å; A120-Y124 PolarHBondContact O-N 3.03Å; A120-I129 HydrophobicContact CB-CD1 4.32Å; A120-L156 HydrophobicContact CB-CD1 3.59Å
121N94.2Very high94Very high23 Ų2337.6 Ų37.612%0.12318%0.179CC..Hα-helixtrans-57.4-46.3174-76.3-0.4000111.8Q117 L119 Y124 E125 K159 S343 L347Q117-N121 WeakPolarHBondContact O-CB 3.22Å; Q117-N121 VanDerWaalsContact O-CG 3.27Å; Q117-N121 PolarHBondContact O-N 2.73Å; Q117-N121 PolarHBondContact O-OD1 3.04Å; L119-N121 VanDerWaalsContact C-N 3.34Å; L119-N121 PolarHBondContact O-N 2.88Å; N121-Y124 PolarHBondContact O-N 2.87Å; N121-E125 WeakPolarHBondContact O-CB 3.33Å; N121-E125 PolarHBondContact O-N 3.46Å; N121-K159 PolarHBondContact ND2-NZ 3.02Å; N121-K159 WeakPolarHBondContact OD1-CE 3.33Å; N121-K159 PolarHBondContact OD1-NZ 2.91Å; N121-S343 PolarHBondContact ND2-OG 3.16Å; N121-L347 HydrophobicContact CB-CD1 4.1Å; N121-L347 HydrophobicContact CB-CD2 4.42Å; N121-L347 WeakPolarHBondContact OD1-CD1 3.43Å
122S92.8Very high94Very high2 Ų237.7 Ų37.71%0.01418%0.18CC..Hα-helixtrans-66.7-42.2-180-176.90000112.4I97 P98 T118 L119 A120 Y124 E125 N126I97-S122 WeakPolarHBondContact CG2-OG 3.11Å; P98-S122 VanDerWaalsContact CA-OG 3.23Å; P98-S122 WeakPolarHBondContact CA-OG 3.46Å; P98-S122 WeakPolarHBondContact CB-OG 3.34Å; T118-S122 WeakPolarHBondContact O-CB 3.28Å; T118-S122 PolarHBondContact O-N 3.01Å; L119-S122 PolarHBondContact O-N 2.89Å; L119-S122 VanDerWaalsContact O-N 3.16Å; A120-S122 VanDerWaalsContact C-N 3.31Å; A120-S122 PolarHBondContact O-N 3.13Å; S122-Y124 VanDerWaalsContact C-N 3.29Å; S122-Y124 PolarHBondContact O-N 2.86Å; S122-E125 PolarHBondContact O-N 3.31Å; S122-N126 WeakPolarHBondContact O-CB 3.39Å; S122-N126 PolarHBondContact O-N 2.99Å; S122-N126 PolarHBondContact O-ND2 3.49Å
123L95.5Very high94Very high1 Ų137.8 Ų37.81%0.00518%0.181CC..Hα-helixtrans-60.7-40.5175-72.8168.9000111.1P99 Y109 L119 A120 N126 K127 R128 I129 L132P99-L123 HydrophobicContact CG-CD2 3.65Å; P99-L123 HydrophobicContact CG-CG 4.23Å; Y109-L123 HydrophobicContact CE2-CD1 4.49Å; L119-L123 HydrophobicContact CD1-CD1 4.22Å; L119-L123 HydrophobicContact CD1-CG 4.28Å; L119-L123 HydrophobicContact CG-CD1 4.03Å; L119-L123 WeakPolarHBondContact O-CG 3.43Å; L119-L123 PolarHBondContact O-N 3.28Å; A120-L123 PolarHBondContact O-N 3.35Å; L123-N126 CarbonylContact O-C 3.28Å; L123-N126 PolarHBondContact O-N 3.27Å; L123-K127 PolarHBondContact O-N 3.47Å; L123-R128 HydrophobicContact CD2-CB 3.9Å; L123-R128 CarbonylContact O-C 3.59Å; L123-R128 WeakPolarHBondContact O-CA 3.09Å; L123-R128 PolarHBondContact O-N 3.32Å; L123-I129 HydrophobicContact CB-CD1 4.04Å; L123-I129 PolarHBondContact O-N 2.8Å; L123-I129 VanDerWaalsContact O-N 3.14Å; L123-L132 HydrophobicContact CD1-CD1 3.61Å; L123-L132 HydrophobicContact CD1-CD2 4.24Å; L123-L132 HydrophobicContact CD1-CG 3.82Å
124Y95.4Very high94.2Very high63 Ų6337.6 Ų37.625%0.24718%0.181CC..Hα-helixtrans-63.8-50.5174.7-177.9-91.5000112.7A120 N121 S122 N126 K127 I129 C163 L347 M349A120-Y124 WeakPolarHBondContact O-CB 3.35Å; A120-Y124 PolarHBondContact O-N 3.03Å; N121-Y124 PolarHBondContact O-N 2.87Å; S122-Y124 VanDerWaalsContact C-N 3.29Å; S122-Y124 PolarHBondContact O-N 2.86Å; Y124-N126 PolarHBondContact O-N 3.05Å; Y124-K127 PolarHBondContact O-N 3.42Å; Y124-I129 HydrophobicContact CD2-CB 4.34Å; Y124-I129 HydrophobicContact CD2-CG2 3.96Å; Y124-C163 HydrophobicContact CD2-CB 3.59Å; Y124-C163 HydrophobicContact CE2-CB 3.43Å; Y124-C163 VanDerWaalsContact CE2-CB 3.43Å; Y124-L347 HydrophobicContact CD1-CB 3.9Å; Y124-L347 HydrophobicContact CD1-CD1 4.4Å; Y124-L347 HydrophobicContact CD1-CD2 4.14Å; Y124-L347 HydrophobicContact CD1-CG 4.36Å; Y124-L347 HydrophobicContact CE1-CB 3.91Å; Y124-L347 WeakPolarHBondContact CE1-O 3.42Å; Y124-M349 HydrophobicContact CD1-CE 3.47Å; Y124-M349 VanDerWaalsContact CD1-CE 3.47Å; Y124-M349 HydrophobicContact CD1-CG 4.37Å; Y124-M349 HydrophobicContact CD2-CE 3.56Å; Y124-M349 HydrophobicContact CE1-CE 3.68Å; Y124-M349 HydrophobicContact CE1-CG 3.64Å; Y124-M349 HydrophobicContact CE2-CE 3.8Å; Y124-M349 HydrophobicContact CE2-CG 4.26Å; Y124-M349 HydrophobicContact CG-CE 3.39Å
125E91.6Very high94.6Very high86 Ų8634.5 Ų34.540%0.40217%0.166SC..Hα-helixtrans-56.3-35.1178.4-172.1179.2-17000111.8N121 S122 K127 L347 K412N121-E125 WeakPolarHBondContact O-CB 3.33Å; N121-E125 PolarHBondContact O-N 3.46Å; S122-E125 PolarHBondContact O-N 3.31Å; E125-K127 VanDerWaalsContact C-N 3.34Å; E125-L347 HydrophobicContact CB-CD2 4.16Å; E125-K412 VanDerWaalsContact OE1-CE 3.24Å; E125-K412 WeakPolarHBondContact OE1-CE 3.27Å; E125-K412 IonicContact OE1-NZ 3.61Å; E125-K412 PolarHBondContact OE1-NZ 3.16Å
126N91.1Very high94.9Very high71 Ų7132.3 Ų32.338%0.3816%0.158SC..THydrogen-bonded Turntrans-91.514.3179.4-68.4-89.7000113.6S122 L123 Y124 R128S122-N126 WeakPolarHBondContact O-CB 3.39Å; S122-N126 PolarHBondContact O-N 2.99Å; S122-N126 PolarHBondContact O-ND2 3.49Å; L123-N126 CarbonylContact O-C 3.28Å; L123-N126 PolarHBondContact O-N 3.27Å; Y124-N126 PolarHBondContact O-N 3.05Å; N126-R128 WeakPolarHBondContact O-CG 3.23Å; N126-R128 PolarHBondContact O-N 3.29Å
127K93.7Very high94.9Very high196 Ų19632.3 Ų32.385%0.85216%0.158SC*.THydrogen-bonded Turntrans54.335.9179.5-55.8-179.7-179.1177.80113.9L123 Y124 E125L123-K127 PolarHBondContact O-N 3.47Å; Y124-K127 PolarHBondContact O-N 3.42Å; E125-K127 VanDerWaalsContact C-N 3.34Å
128R93.8Very high94.9Very high18 Ų1832 Ų327%0.06816%0.157CC..  trans-121.96.2-177.7-74168.460-165.7-5113P99 L123 N126 D130 D131P99-R128 PolarHBondContact O-NH1 3.32Å; P99-R128 PolarHBondContact O-NH2 3.4Å; L123-R128 HydrophobicContact CD2-CB 3.9Å; L123-R128 CarbonylContact O-C 3.59Å; L123-R128 WeakPolarHBondContact O-CA 3.09Å; L123-R128 PolarHBondContact O-N 3.32Å; N126-R128 WeakPolarHBondContact O-CG 3.23Å; N126-R128 PolarHBondContact O-N 3.29Å; R128-D130 PolarHBondContact O-N 2.91Å; R128-D131 IonicContact NE-OD2 3.98Å; R128-D131 VanDerWaalsContact O-CB 3.26Å; R128-D131 WeakPolarHBondContact O-CB 3.42Å; R128-D131 PolarHBondContact O-N 3.35Å
129I95.9Very high94.8Very high6 Ų632.5 Ų32.53%0.03116%0.157CC..G310 helixtrans-58.4-35.3-179.8-164.867000111.7A120 L123 Y124 D131 L132 L160A120-I129 HydrophobicContact CB-CD1 4.32Å; L123-I129 HydrophobicContact CB-CD1 4.04Å; L123-I129 PolarHBondContact O-N 2.8Å; L123-I129 VanDerWaalsContact O-N 3.14Å; Y124-I129 HydrophobicContact CD2-CB 4.34Å; Y124-I129 HydrophobicContact CD2-CG2 3.96Å; I129-D131 PolarHBondContact O-N 2.92Å; I129-L132 HydrophobicContact CD1-CD1 4.09Å; I129-L132 WeakPolarHBondContact O-CB 3.33Å; I129-L132 PolarHBondContact O-N 2.89Å; I129-L160 HydrophobicContact CD1-CD2 4.01Å; I129-L160 HydrophobicContact CG1-CD2 4.47Å
130D95Very high94.7Very high89 Ų8932.5 Ų32.548%0.47616%0.157SC..G310 helixtrans-74.7-5.8-179.9-60-43.9000113.4K57 R128 S164K57-D130 PolarHBondContact NZ-O 3.38Å; R128-D130 PolarHBondContact O-N 2.91Å; D130-S164 PolarHBondContact OD1-OG 2.86Å
131D93.9Very high94.2Very high39 Ų3935.6 Ų35.621%0.20917%0.17CC..G310 helixtrans-69-28.5166.9-66.7-26.4000110.8K57 D58 R128 I129 G133K57-D131 WeakPolarHBondContact CD-O 3.41Å; D58-D131 PolarHBondContact N-O 3.4Å; R128-D131 IonicContact NE-OD2 3.98Å; R128-D131 VanDerWaalsContact O-CB 3.26Å; R128-D131 WeakPolarHBondContact O-CB 3.42Å; R128-D131 PolarHBondContact O-N 3.35Å; I129-D131 PolarHBondContact O-N 2.92Å; D131-G133 PolarHBondContact O-N 3.44Å
132L96.4Very high93.9Very high3 Ų335.3 Ų35.32%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-71.4123.1170.8-68.8175.6000109.9D58 L60 Y109 L123 I129D58-L132 HydrophobicContact CB-CD2 4Å; L60-L132 HydrophobicContact CB-CD2 4.05Å; Y109-L132 HydrophobicContact CD2-CD2 3.91Å; Y109-L132 HydrophobicContact CE2-CD2 4.01Å; L123-L132 HydrophobicContact CD1-CD1 3.61Å; L123-L132 HydrophobicContact CD1-CD2 4.24Å; L123-L132 HydrophobicContact CD1-CG 3.82Å; I129-L132 HydrophobicContact CD1-CD1 4.09Å; I129-L132 WeakPolarHBondContact O-CB 3.33Å; I129-L132 PolarHBondContact O-N 2.89Å
133G96.4Very high93.7Very high7 Ų735.2 Ų35.27%0.07217%0.168CC..EExtended strand (participates in β ladder)trans-110-15.417600000114.5Q51 D58 D131 Q168Q51-G133 VanDerWaalsContact NE2-CA 3.32Å; Q51-G133 PolarHBondContact NE2-O 3.05Å; D58-G133 PolarHBondContact O-N 3.34Å; D131-G133 PolarHBondContact O-N 3.44Å; G133-Q168 PolarHBondContact O-N 3.34Å; G133-Q168 VanDerWaalsContact O-N 3.11Å
134L97.8Very high93Very high1 Ų136.6 Ų36.61%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-148135.917917465.3000110L47 Q51 V59 L60 V136 Q168 I170L47-L134 HydrophobicContact CB-CD2 4.09Å; Q51-L134 HydrophobicContact CB-CB 4.09Å; Q51-L134 HydrophobicContact CB-CD2 4.2Å; Q51-L134 HydrophobicContact CG-CB 3.75Å; V59-L134 WeakPolarHBondContact CA-O 3.36Å; V59-L134 HydrophobicContact CG1-CB 4.11Å; V59-L134 HydrophobicContact CG1-CD2 4.07Å; V59-L134 HydrophobicContact CG1-CG 4.09Å; V59-L134 HydrophobicContact CG2-CB 4.21Å; L60-L134 PolarHBondContact N-O 3.09Å; L134-V136 HydrophobicContact CD1-CG2 4.15Å; L134-V136 HydrophobicContact CD2-CG2 3.9Å; L134-V136 HydrophobicContact CG-CG2 3.93Å; L134-Q168 CarbonylContact C-O 3.56Å; L134-Q168 WeakPolarHBondContact CA-O 3.47Å; L134-Q168 HydrophobicContact CD1-CB 4.04Å; L134-Q168 HydrophobicContact CD1-CG 4.11Å; L134-I170 HydrophobicContact CD1-CB 4.48Å; L134-I170 HydrophobicContact CD1-CD1 3.67Å; L134-I170 HydrophobicContact CD1-CG1 3.77Å
135V98.5Very high92Very high0 Ų038.4 Ų38.40%019%0.193CC..EExtended strand (participates in β ladder)trans-120.5120.9164.2-175.40000109.1L60 V62 I137 L160 Q168 L169 I170L60-V135 HydrophobicContact CB-CB 4.5Å; L60-V135 HydrophobicContact CB-CG1 4.22Å; L60-V135 HydrophobicContact CB-CG2 4.03Å; L60-V135 HydrophobicContact CD2-CG1 4.12Å; L60-V135 HydrophobicContact CD2-CG2 4.27Å; L60-V135 HydrophobicContact CG-CG1 4.07Å; L60-V135 CarbonylContact O-C 3.44Å; L60-V135 VanDerWaalsContact O-CA 3.27Å; L60-V135 WeakPolarHBondContact O-CA 3.47Å; V62-V135 HydrophobicContact CG2-CG1 4.03Å; V135-I137 HydrophobicContact CG1-CG1 4.16Å; V135-L160 HydrophobicContact CB-CD1 4.25Å; V135-L160 HydrophobicContact CG1-CD1 4.28Å; V135-L160 HydrophobicContact CG2-CD1 3.67Å; V135-Q168 PolarHBondContact N-O 2.97Å; V135-L169 HydrophobicContact CB-CD2 3.78Å; V135-L169 HydrophobicContact CG2-CD2 4.06Å; V135-I170 PolarHBondContact O-N 2.94Å
136V97.8Very high90.8Very high0 Ų036.5 Ų36.50%020%0.197CC..EExtended strand (participates in β ladder)trans-102.8125.8172.6-177.60000108.6I48 L60 F61 V62 L134 I170 M172I48-V136 HydrophobicContact CG1-CG2 4.47Å; L60-V136 PolarHBondContact O-N 3.39Å; F61-V136 HydrophobicContact CD2-CB 3.78Å; F61-V136 HydrophobicContact CD2-CG1 3.84Å; F61-V136 HydrophobicContact CE2-CB 4.17Å; F61-V136 HydrophobicContact CE2-CG1 3.69Å; V62-V136 PolarHBondContact N-O 2.94Å; L134-V136 HydrophobicContact CD1-CG2 4.15Å; L134-V136 HydrophobicContact CD2-CG2 3.9Å; L134-V136 HydrophobicContact CG-CG2 3.93Å; V136-I170 CarbonylContact C-O 3.57Å; V136-I170 WeakPolarHBondContact CA-O 3.43Å; V136-M172 HydrophobicContact CG1-CE 3.63Å; V136-M172 HydrophobicContact CG1-SD 4.4Å
137I96.7Very high89.9Confident0 Ų035.1 Ų35.10%020%0.195CC..EExtended strand (participates in β ladder)trans-113.1109.9177.2-62.2157.7000107.5V62 V135 L140 L153 I157 I170 M172V62-I137 HydrophobicContact CB-CG1 4.26Å; V62-I137 HydrophobicContact CG2-CG1 4.29Å; V135-I137 HydrophobicContact CG1-CG1 4.16Å; I137-L140 HydrophobicContact CB-CD1 4.48Å; I137-L140 HydrophobicContact CD1-CD1 4.49Å; I137-L140 HydrophobicContact CG2-CD1 3.96Å; I137-L153 HydrophobicContact CD1-CD1 4.13Å; I137-L153 HydrophobicContact CG1-CD1 4.22Å; I137-L153 HydrophobicContact CG2-CD1 3.78Å; I137-L153 HydrophobicContact CG2-CD2 3.98Å; I137-L153 HydrophobicContact CG2-CG 4.44Å; I137-I157 HydrophobicContact CD1-CD1 3.82Å; I137-I157 HydrophobicContact CD1-CG1 3.63Å; I137-I170 PolarHBondContact N-O 3.23Å; I137-M172 PolarHBondContact O-N 3Å
138D93.6Very high89.3Confident25 Ų2527.2 Ų27.213%0.13417%0.17CC..SBendtrans-82.6149.2170.3-1514.7000110.5F61 V62 L63 M172F61-D138 HydrophobicContact CE2-CB 4.33Å; V62-D138 PolarHBondContact O-N 2.95Å; L63-D138 HydrophobicContact CD2-CB 3.78Å; D138-M172 HydrophobicContact CB-CE 4.17Å
139E89.9Confident89Confident48 Ų4830.9 Ų30.922%0.22418%0.184CC..SBendtrans5252.6-175.6-53.3-62.9-171.800114.1P64 H141 L142 M172P64-E139 HydrophobicContact CG-CG 4.37Å; E139-H141 PolarHBondContact O-N 2.9Å; E139-H141 IonicContact OE2-CE1 3.17Å; E139-H141 PolarHBondContact OE2-CE1 2.89Å; E139-H141 IonicContact OE2-ND1 2.72Å; E139-H141 PolarHBondContact OE2-ND1 3.31Å; E139-L142 HydrophobicContact CB-CD1 3.78Å; E139-L142 HydrophobicContact CB-CG 4.12Å; E139-L142 WeakPolarHBondContact O-CB 3.28Å; E139-L142 VanDerWaalsContact O-CG 3.26Å; E139-L142 WeakPolarHBondContact O-CG 3.5Å; E139-L142 PolarHBondContact O-N 2.89Å; E139-M172 CarbonylContact C-O 3.4Å; E139-M172 WeakPolarHBondContact CA-O 3.38Å; E139-M172 PolarHBondContact N-O 3.32Å
140L92Very high88.8Confident0 Ų030.6 Ų30.60%018%0.182CC..G310 helixtrans-51.2-26.9179.5-175.270.5000113.6I31 I137 L142 I143 I157 M172 L176 M186I31-L140 HydrophobicContact CD1-CD2 4.27Å; I31-L140 HydrophobicContact CG1-CD2 4.13Å; I31-L140 HydrophobicContact CG2-CD2 4.23Å; I137-L140 HydrophobicContact CB-CD1 4.48Å; I137-L140 HydrophobicContact CD1-CD1 4.49Å; I137-L140 HydrophobicContact CG2-CD1 3.96Å; L140-L142 PolarHBondContact O-N 3.09Å; L140-I143 HydrophobicContact CD1-CD1 3.58Å; L140-I143 HydrophobicContact CD1-CG1 4.41Å; L140-I143 HydrophobicContact CG-CD1 4.11Å; L140-I143 WeakPolarHBondContact O-CG1 3.49Å; L140-I143 PolarHBondContact O-N 3.24Å; L140-I157 HydrophobicContact CD1-CD1 4.07Å; L140-M172 PolarHBondContact N-O 3.24Å; L140-L176 HydrophobicContact CD2-CD1 4.29Å; L140-M186 HydrophobicContact CD1-SD 3.93Å; L140-M186 HydrophobicContact CD2-SD 3.76Å; L140-M186 HydrophobicContact CG-SD 4.5Å
141H87.1Confident88.7Confident69 Ų6926.3 Ų26.332%0.31916%0.159SC..G310 helixtrans-59.4-18.1177.267.2-100000113.8E139 I143 G144 S173 L176E139-H141 PolarHBondContact O-N 2.9Å; E139-H141 IonicContact OE2-CE1 3.17Å; E139-H141 PolarHBondContact OE2-CE1 2.89Å; E139-H141 IonicContact OE2-ND1 2.72Å; E139-H141 PolarHBondContact OE2-ND1 3.31Å; H141-I143 PolarHBondContact O-N 3.17Å; H141-I143 VanDerWaalsContact O-N 3.16Å; H141-G144 PolarHBondContact O-N 2.95Å; H141-S173 WeakPolarHBondContact CB-OG 3.42Å; H141-S173 PolarHBondContact ND1-OG 2.93Å; H141-L176 HydrophobicContact CB-CD2 3.48Å; H141-L176 VanDerWaalsContact CB-CD2 3.48Å
142L87.5Confident88.7Confident18 Ų1824.8 Ų24.89%0.09415%0.152CC..G310 helixtrans-65.7-12.1177.2-66.1172.9000114P64 I113 E139 L140 G144 E145 G150P64-L142 HydrophobicContact CB-CD1 3.43Å; P64-L142 VanDerWaalsContact CB-CD1 3.43Å; P64-L142 HydrophobicContact CG-CD1 4.33Å; I113-L142 HydrophobicContact CD1-CD1 4.39Å; E139-L142 HydrophobicContact CB-CD1 3.78Å; E139-L142 HydrophobicContact CB-CG 4.12Å; E139-L142 WeakPolarHBondContact O-CB 3.28Å; E139-L142 VanDerWaalsContact O-CG 3.26Å; E139-L142 WeakPolarHBondContact O-CG 3.5Å; E139-L142 PolarHBondContact O-N 2.89Å; L140-L142 PolarHBondContact O-N 3.09Å; L142-G144 PolarHBondContact O-N 3.29Å; L142-E145 PolarHBondContact O-N 3.31Å; L142-G150 WeakPolarHBondContact O-CA 3.3Å
143I88.7Confident88.6Confident0 Ų024.7 Ų24.70%015%0.151CC..G310 helixtrans-53.3-32.6166.3-66.9174.3000110.8L140 H141 L153 E154 I157 L182 F185 S328 L364L140-I143 HydrophobicContact CD1-CD1 3.58Å; L140-I143 HydrophobicContact CD1-CG1 4.41Å; L140-I143 HydrophobicContact CG-CD1 4.11Å; L140-I143 WeakPolarHBondContact O-CG1 3.49Å; L140-I143 PolarHBondContact O-N 3.24Å; H141-I143 PolarHBondContact O-N 3.17Å; H141-I143 VanDerWaalsContact O-N 3.16Å; I143-L153 HydrophobicContact CD1-CD2 4.42Å; I143-L153 HydrophobicContact CD1-CG 4.4Å; I143-L153 HydrophobicContact CG1-CB 4.24Å; I143-L153 HydrophobicContact CG1-CD2 3.57Å; I143-L153 HydrophobicContact CG1-CG 3.74Å; I143-E154 HydrophobicContact CG2-CB 4.42Å; I143-I157 HydrophobicContact CD1-CD1 3.62Å; I143-L182 HydrophobicContact CD1-CD2 4.49Å; I143-F185 HydrophobicContact CD1-CE1 4.03Å; I143-S328 WeakPolarHBondContact O-CB 3.47Å; I143-S328 PolarHBondContact O-OG 2.99Å; I143-L364 HydrophobicContact CG2-CD2 3.61Å
144G80.9Confident88.7Confident30 Ų3024.3 Ų24.331%0.30915%0.148SC..G310 helixtrans-88.12.9-177.100000116.4H141 L142 G146 C325 K326H141-G144 PolarHBondContact O-N 2.95Å; L142-G144 PolarHBondContact O-N 3.29Å; G144-G146 PolarHBondContact O-N 3.24Å; G144-C325 PolarHBondContact N-SG 2.9Å; G144-K326 WeakPolarHBondContact CA-O 3.37Å
145E74.7Confident88.6Confident100 Ų10024.6 Ų24.647%0.46715%0.149SC..SBendtrans-67.9-4.9-174.4-155.6-177.317500113.8L142 A147L142-E145 PolarHBondContact O-N 3.31Å; E145-A147 PolarHBondContact O-N 2.76Å; E145-A147 VanDerWaalsContact O-N 3.16Å
146G65.7Low88.5Confident47 Ų4724.6 Ų24.649%0.48515%0.149SC..SBendtrans68.412.9174.500000114.6G144 S328 Y331G144-G146 PolarHBondContact O-N 3.24Å; G146-S328 WeakPolarHBondContact CA-OG 3.46Å; G146-S328 PolarHBondContact N-OG 3.04Å; G146-S328 VanDerWaalsContact N-OG 3.1Å; G146-Y331 WeakPolarHBondContact O-CB 3.21Å
147A72.6Confident88.5Confident41 Ų4124.6 Ų24.634%0.33915%0.149SC..SBendtrans-125.1-179.7-175.400000111.8E145 R149 G150 S151E145-A147 PolarHBondContact O-N 2.76Å; E145-A147 VanDerWaalsContact O-N 3.16Å; A147-R149 PolarHBondContact O-N 2.71Å; A147-R149 VanDerWaalsContact O-N 3.1Å; A147-G150 PolarHBondContact O-N 2.77Å; A147-S151 PolarHBondContact O-N 3.29Å
148G81.4Confident88.6Confident31 Ų3124.6 Ų24.632%0.3215%0.149SC..Hα-helixtrans-54.9-30.6-179.500000114.5A152G148-A152 WeakPolarHBondContact O-CB 3.36Å; G148-A152 PolarHBondContact O-N 2.89Å
149R87.3Confident88.7Confident94 Ų9423.6 Ų23.636%0.35514%0.144SC..Hα-helixtrans-67-50.7176.8-71.4-171.7173.2160.83.9113.2I113 E114 A147 S151 A152 L153I113-R149 HydrophobicContact CD1-CB 4.39Å; I113-R149 WeakPolarHBondContact CG2-O 3.05Å; E114-R149 VanDerWaalsContact OE1-CG 3.23Å; E114-R149 WeakPolarHBondContact OE1-CG 3.34Å; E114-R149 IonicContact OE1-CZ 2.75Å; E114-R149 IonicContact OE1-NE 2.7Å; E114-R149 PolarHBondContact OE1-NE 3.48Å; A147-R149 PolarHBondContact O-N 2.71Å; A147-R149 VanDerWaalsContact O-N 3.1Å; R149-S151 PolarHBondContact O-N 3.45Å; R149-A152 PolarHBondContact O-N 2.68Å; R149-L153 PolarHBondContact O-N 2.81Å
150G90.7Very high89.1Confident0 Ų021.4 Ų21.40%013%0.133CC..Hα-helixtrans-59-40.9176.600000111.3L142 A147 L153 E154 S328L142-G150 WeakPolarHBondContact O-CA 3.3Å; A147-G150 PolarHBondContact O-N 2.77Å; G150-L153 PolarHBondContact O-N 3.27Å; G150-E154 PolarHBondContact O-N 2.53Å; G150-S328 VanDerWaalsContact C-CB 3.5Å
151S92.8Very high89.3Confident0 Ų022.4 Ų22.40%014%0.138CC..Hα-helixtrans-63.5-45.6175-178.90000112.6A147 R149 L153 E154 Q155 S328 Y331 G336A147-S151 PolarHBondContact O-N 3.29Å; R149-S151 PolarHBondContact O-N 3.45Å; S151-L153 VanDerWaalsContact C-N 3.3Å; S151-L153 PolarHBondContact O-N 3.07Å; S151-E154 PolarHBondContact O-N 3.33Å; S151-Q155 WeakPolarHBondContact O-CB 3.26Å; S151-Q155 WeakPolarHBondContact O-CG 3.33Å; S151-Q155 PolarHBondContact O-N 2.82Å; S151-Q155 PolarHBondContact O-NE2 3.46Å; S151-Q155 PolarHBondContact OG-NE2 2.89Å; S151-S328 VanDerWaalsContact N-CB 3.29Å; S151-Y331 VanDerWaalsContact CB-CE1 3.46Å; S151-G336 WeakPolarHBondContact OG-CA 3.2Å
152A93.4Very high89.8Confident6 Ų621.4 Ų21.45%0.0513%0.133CC..Hα-helixtrans-62.6-38178.700000112I113 G148 R149 Q155 L156I113-A152 HydrophobicContact CG2-CB 3.87Å; G148-A152 WeakPolarHBondContact O-CB 3.36Å; G148-A152 PolarHBondContact O-N 2.89Å; R149-A152 PolarHBondContact O-N 2.68Å; A152-Q155 PolarHBondContact O-N 2.77Å; A152-L156 WeakPolarHBondContact O-CB 3.4Å; A152-L156 PolarHBondContact O-N 2.85Å
153L95.8Very high90.1Very high1 Ų121.6 Ų21.61%0.00514%0.136CC..Hα-helixtrans-66.4-46.2176.3-174.253.1000111.7I113 I137 I143 R149 G150 S151 Q155 L156 I157I113-L153 HydrophobicContact CD1-CD2 4.3Å; I113-L153 HydrophobicContact CG2-CB 3.69Å; I113-L153 HydrophobicContact CG2-CD1 4.42Å; I137-L153 HydrophobicContact CD1-CD1 4.13Å; I137-L153 HydrophobicContact CG1-CD1 4.22Å; I137-L153 HydrophobicContact CG2-CD1 3.78Å; I137-L153 HydrophobicContact CG2-CD2 3.98Å; I137-L153 HydrophobicContact CG2-CG 4.44Å; I143-L153 HydrophobicContact CD1-CD2 4.42Å; I143-L153 HydrophobicContact CD1-CG 4.4Å; I143-L153 HydrophobicContact CG1-CB 4.24Å; I143-L153 HydrophobicContact CG1-CD2 3.57Å; I143-L153 HydrophobicContact CG1-CG 3.74Å; R149-L153 PolarHBondContact O-N 2.81Å; G150-L153 PolarHBondContact O-N 3.27Å; S151-L153 VanDerWaalsContact C-N 3.3Å; S151-L153 PolarHBondContact O-N 3.07Å; L153-Q155 VanDerWaalsContact C-N 3.34Å; L153-Q155 PolarHBondContact O-N 3.48Å; L153-L156 HydrophobicContact CD1-CD2 4.43Å; L153-L156 WeakPolarHBondContact O-CB 3.46Å; L153-L156 PolarHBondContact O-N 2.65Å; L153-I157 HydrophobicContact CD1-CD1 4.4Å; L153-I157 HydrophobicContact CG-CD1 4.3Å; L153-I157 WeakPolarHBondContact O-CG1 3.28Å; L153-I157 PolarHBondContact O-N 2.81Å; L153-I157 VanDerWaalsContact O-N 3.1Å
154E96.8Very high90.4Very high0 Ų021.7 Ų21.70%014%0.137CC..Hα-helixtrans-60.4-44.7175.3-172.1172164.400111.3I143 G150 S151 L156 I157 V158 F185 S327 S328 L329 L364 L365I143-E154 HydrophobicContact CG2-CB 4.42Å; G150-E154 PolarHBondContact O-N 2.53Å; S151-E154 PolarHBondContact O-N 3.33Å; E154-L156 VanDerWaalsContact C-N 3.32Å; E154-L156 PolarHBondContact O-N 3.48Å; E154-I157 PolarHBondContact O-N 3.34Å; E154-V158 HydrophobicContact CG-CG2 4.32Å; E154-V158 WeakPolarHBondContact O-CB 3.26Å; E154-V158 VanDerWaalsContact O-CG2 3.24Å; E154-V158 WeakPolarHBondContact O-CG2 3.43Å; E154-V158 PolarHBondContact O-N 3.2Å; E154-F185 HydrophobicContact CG-CE2 4.36Å; E154-F185 HydrophobicContact CG-CZ 3.94Å; E154-S327 PolarHBondContact OE1-OG 3.09Å; E154-S327 VanDerWaalsContact OE1-OG 3.04Å; E154-S327 WeakPolarHBondContact OE2-CA 3.47Å; E154-S327 WeakPolarHBondContact OE2-CB 3.34Å; E154-S327 PolarHBondContact OE2-OG 2.88Å; E154-S328 PolarHBondContact OE2-N 3.35Å; E154-L329 HydrophobicContact CG-CD1 4.37Å; E154-L329 HydrophobicContact CG-CD2 4.48Å; E154-L329 HydrophobicContact CG-CG 4.27Å; E154-L329 VanDerWaalsContact OE1-CD1 3.24Å; E154-L329 WeakPolarHBondContact OE1-CD1 3.45Å; E154-L364 HydrophobicContact CG-CB 4.42Å; E154-L364 WeakPolarHBondContact OE1-CB 3.42Å; E154-L364 PolarHBondContact OE1-N 3.3Å; E154-L365 PolarHBondContact OE1-N 3.05Å
155Q96Very high90.9Very high7 Ų725.3 Ų25.33%0.03316%0.155CC..Hα-helixtrans-59.6-40175.9-73.2176.855.400112.9S151 A152 L153 K159 L329 G336 L340S151-Q155 WeakPolarHBondContact O-CB 3.26Å; S151-Q155 WeakPolarHBondContact O-CG 3.33Å; S151-Q155 PolarHBondContact O-N 2.82Å; S151-Q155 PolarHBondContact O-NE2 3.46Å; S151-Q155 PolarHBondContact OG-NE2 2.89Å; A152-Q155 PolarHBondContact O-N 2.77Å; L153-Q155 VanDerWaalsContact C-N 3.34Å; L153-Q155 PolarHBondContact O-N 3.48Å; Q155-K159 WeakPolarHBondContact O-CB 3.23Å; Q155-K159 WeakPolarHBondContact O-CE 3.35Å; Q155-K159 WeakPolarHBondContact O-CG 3.38Å; Q155-K159 PolarHBondContact O-N 3.05Å; Q155-L329 HydrophobicContact CG-CD2 4.07Å; Q155-G336 PolarHBondContact NE2-O 3.24Å; Q155-L340 HydrophobicContact CB-CD1 4.31Å; Q155-L340 HydrophobicContact CG-CB 3.92Å; Q155-L340 HydrophobicContact CG-CD1 4.04Å; Q155-L340 HydrophobicContact CG-CG 4.46Å
156L97.4Very high91.7Very high0 Ų024.9 Ų24.90%017%0.168CC..Hα-helixtrans-61-51.4176.3171.464000110.7V62 A116 A120 A152 L153 E154 K159 L160V62-L156 HydrophobicContact CG2-CD2 4Å; A116-L156 HydrophobicContact CB-CD2 3.79Å; A120-L156 HydrophobicContact CB-CD1 3.59Å; A152-L156 WeakPolarHBondContact O-CB 3.4Å; A152-L156 PolarHBondContact O-N 2.85Å; L153-L156 HydrophobicContact CD1-CD2 4.43Å; L153-L156 WeakPolarHBondContact O-CB 3.46Å; L153-L156 PolarHBondContact O-N 2.65Å; E154-L156 VanDerWaalsContact C-N 3.32Å; E154-L156 PolarHBondContact O-N 3.48Å; L156-K159 PolarHBondContact O-N 3.43Å; L156-L160 HydrophobicContact CD1-CD1 3.72Å; L156-L160 HydrophobicContact CD1-CG 4.14Å; L156-L160 HydrophobicContact CG-CD1 3.95Å; L156-L160 WeakPolarHBondContact O-CG 3.22Å; L156-L160 PolarHBondContact O-N 3.45Å
157I97.9Very high93.2Very high0 Ų022.8 Ų22.80%015%0.146CC..Hα-helixtrans-61.3-48.2-178.9-63.4167.8000110.3I137 L140 I143 L153 E154 K159 L160 M161 L169 F185 M186I137-I157 HydrophobicContact CD1-CD1 3.82Å; I137-I157 HydrophobicContact CD1-CG1 3.63Å; L140-I157 HydrophobicContact CD1-CD1 4.07Å; I143-I157 HydrophobicContact CD1-CD1 3.62Å; L153-I157 HydrophobicContact CD1-CD1 4.4Å; L153-I157 HydrophobicContact CG-CD1 4.3Å; L153-I157 WeakPolarHBondContact O-CG1 3.28Å; L153-I157 PolarHBondContact O-N 2.81Å; L153-I157 VanDerWaalsContact O-N 3.1Å; E154-I157 PolarHBondContact O-N 3.34Å; I157-K159 VanDerWaalsContact C-N 3.35Å; I157-K159 PolarHBondContact O-N 2.82Å; I157-L160 PolarHBondContact O-N 3.5Å; I157-M161 HydrophobicContact CG2-CE 4Å; I157-M161 HydrophobicContact CG2-CG 4.35Å; I157-M161 HydrophobicContact CG2-SD 4.31Å; I157-M161 WeakPolarHBondContact O-CG 3.37Å; I157-M161 PolarHBondContact O-N 3Å; I157-L169 HydrophobicContact CG2-CD1 3.99Å; I157-F185 HydrophobicContact CB-CE1 4.35Å; I157-F185 HydrophobicContact CB-CZ 3.92Å; I157-F185 HydrophobicContact CD1-CE1 3.93Å; I157-F185 HydrophobicContact CD1-CZ 4.26Å; I157-F185 HydrophobicContact CG2-CE1 3.87Å; I157-F185 HydrophobicContact CG2-CE2 4.33Å; I157-F185 HydrophobicContact CG2-CZ 3.59Å; I157-M186 HydrophobicContact CG2-CG 4.19Å
158V97.8Very high94.3Very high0 Ų021.1 Ų21.10%013%0.131CC..Hα-helixtrans-57.6-47179.4169.70000111.4E154 M161 F162 F185 L340 I359 L362 T363E154-V158 HydrophobicContact CG-CG2 4.32Å; E154-V158 WeakPolarHBondContact O-CB 3.26Å; E154-V158 VanDerWaalsContact O-CG2 3.24Å; E154-V158 WeakPolarHBondContact O-CG2 3.43Å; E154-V158 PolarHBondContact O-N 3.2Å; V158-M161 PolarHBondContact O-N 3.21Å; V158-F162 WeakPolarHBondContact O-CB 3.18Å; V158-F162 PolarHBondContact O-N 3.46Å; V158-F185 HydrophobicContact CG2-CE2 3.85Å; V158-F185 HydrophobicContact CG2-CZ 4.3Å; V158-L340 HydrophobicContact CG1-CD1 4.16Å; V158-L340 HydrophobicContact CG1-CD2 4.32Å; V158-I359 HydrophobicContact CG1-CD1 4.41Å; V158-I359 HydrophobicContact CG1-CG1 3.69Å; V158-L362 HydrophobicContact CG1-CB 4.21Å; V158-T363 HydrophobicContact CG1-CG2 4.4Å; V158-T363 HydrophobicContact CG2-CG2 3.98Å
159K97.3Very high95.1Very high4 Ų419.7 Ų19.72%0.01712%0.116CC..Hα-helixtrans-62.9-45.8178.6-77.8-178.2-72.8-170.70111.7Q117 N121 Q155 L156 I157 M161 F162 C163 S343 T344 L347 M349Q117-K159 VanDerWaalsContact NE2-NZ 3.17Å; N121-K159 PolarHBondContact ND2-NZ 3.02Å; N121-K159 WeakPolarHBondContact OD1-CE 3.33Å; N121-K159 PolarHBondContact OD1-NZ 2.91Å; Q155-K159 WeakPolarHBondContact O-CB 3.23Å; Q155-K159 WeakPolarHBondContact O-CE 3.35Å; Q155-K159 WeakPolarHBondContact O-CG 3.38Å; Q155-K159 PolarHBondContact O-N 3.05Å; L156-K159 PolarHBondContact O-N 3.43Å; I157-K159 VanDerWaalsContact C-N 3.35Å; I157-K159 PolarHBondContact O-N 2.82Å; K159-M161 PolarHBondContact O-N 3.4Å; K159-F162 PolarHBondContact O-N 3.4Å; K159-F162 VanDerWaalsContact O-N 3.11Å; K159-C163 PolarHBondContact O-N 3.11Å; K159-C163 PolarHBondContact O-SG 3.38Å; K159-S343 PolarHBondContact NZ-OG 2.88Å; K159-T344 HydrophobicContact CD-CG2 4.21Å; K159-T344 HydrophobicContact CG-CG2 3.99Å; K159-L347 HydrophobicContact CD-CD1 4.45Å; K159-M349 HydrophobicContact CD-SD 4.44Å; K159-M349 HydrophobicContact CG-SD 4.19Å
160L97.5Very high95.5Very high2 Ų215.3 Ų15.31%0.0110%0.1CC..Hα-helixtrans-61.7-43.9178.2-70.5168.6000112I129 V135 L156 I157 F162 S164 L169I129-L160 HydrophobicContact CD1-CD2 4.01Å; I129-L160 HydrophobicContact CG1-CD2 4.47Å; V135-L160 HydrophobicContact CB-CD1 4.25Å; V135-L160 HydrophobicContact CG1-CD1 4.28Å; V135-L160 HydrophobicContact CG2-CD1 3.67Å; L156-L160 HydrophobicContact CD1-CD1 3.72Å; L156-L160 HydrophobicContact CD1-CG 4.14Å; L156-L160 HydrophobicContact CG-CD1 3.95Å; L156-L160 WeakPolarHBondContact O-CG 3.22Å; L156-L160 PolarHBondContact O-N 3.45Å; I157-L160 PolarHBondContact O-N 3.5Å; L160-F162 PolarHBondContact O-N 3.28Å; L160-S164 CarbonylContact O-C 3.57Å; L160-S164 WeakPolarHBondContact O-CA 3.46Å; L160-S164 PolarHBondContact O-N 3.32Å; L160-L169 HydrophobicContact CB-CD2 4.14Å; L160-L169 HydrophobicContact CD1-CD2 3.81Å
161M96.8Very high95.7Very high20 Ų2015.3 Ų15.310%0.09910%0.1CC..Hα-helixtrans-62.9-28.7175.4-70-164.5-61.800113.1I157 V158 K159 L169 F185 L362I157-M161 HydrophobicContact CG2-CE 4Å; I157-M161 HydrophobicContact CG2-CG 4.35Å; I157-M161 HydrophobicContact CG2-SD 4.31Å; I157-M161 WeakPolarHBondContact O-CG 3.37Å; I157-M161 PolarHBondContact O-N 3Å; V158-M161 PolarHBondContact O-N 3.21Å; K159-M161 PolarHBondContact O-N 3.4Å; M161-L169 HydrophobicContact CG-CD1 3.74Å; M161-F185 HydrophobicContact CE-CD2 4.09Å; M161-F185 HydrophobicContact CE-CE2 3.82Å; M161-F185 HydrophobicContact CE-CZ 4.46Å; M161-F185 VanDerWaalsContact CE-O 3.24Å; M161-F185 WeakPolarHBondContact CE-O 3.24Å; M161-L362 HydrophobicContact CB-CD1 4.46Å; M161-L362 HydrophobicContact CE-CB 4.15Å; M161-L362 VanDerWaalsContact CE-O 3.25Å; M161-L362 WeakPolarHBondContact CE-O 3.3Å
162F95.8Very high95.7Very high48 Ų4815.3 Ų15.321%0.21110%0.1CC..Hα-helixtrans-81.9-49.1178.4-171.9-91.7000112.3V158 K159 L160 M349 I350 Q358 I359 L362V158-F162 WeakPolarHBondContact O-CB 3.18Å; V158-F162 PolarHBondContact O-N 3.46Å; K159-F162 PolarHBondContact O-N 3.4Å; K159-F162 VanDerWaalsContact O-N 3.11Å; L160-F162 PolarHBondContact O-N 3.28Å; F162-M349 HydrophobicContact CD1-CB 4.24Å; F162-M349 HydrophobicContact CE1-CB 3.91Å; F162-M349 WeakPolarHBondContact CE1-O 3.39Å; F162-I350 HydrophobicContact CZ-CG2 4.17Å; F162-Q358 HydrophobicContact CE2-CG 4.13Å; F162-I359 HydrophobicContact CD2-CB 4.37Å; F162-I359 HydrophobicContact CD2-CD1 4.37Å; F162-I359 HydrophobicContact CD2-CG1 4.25Å; F162-I359 HydrophobicContact CE2-CB 4.47Å; F162-I359 HydrophobicContact CG-CD1 4.27Å; F162-L362 HydrophobicContact CB-CD1 3.84Å; F162-L362 HydrophobicContact CD2-CD1 3.84Å; F162-L362 HydrophobicContact CG-CD1 4.35Å
163C94.3Very high95.4Very high23 Ų2315 Ų1516%0.15510%0.098CC..Hα-helixtrans-102.5-16.3-169.171.70000115.8Y124 K159 M349Y124-C163 HydrophobicContact CD2-CB 3.59Å; Y124-C163 HydrophobicContact CE2-CB 3.43Å; Y124-C163 VanDerWaalsContact CE2-CB 3.43Å; K159-C163 PolarHBondContact O-N 3.11Å; K159-C163 PolarHBondContact O-SG 3.38Å; C163-M349 HydrophobicContact CB-CE 3.93Å
164S94.7Very high94.5Very high2 Ų215.8 Ų15.81%0.01410%0.104CC..  trans-141.566.8175.6-160.80000110.8D130 L160 A166 C167D130-S164 PolarHBondContact OD1-OG 2.86Å; L160-S164 CarbonylContact O-C 3.57Å; L160-S164 WeakPolarHBondContact O-CA 3.46Å; L160-S164 PolarHBondContact O-N 3.32Å; S164-A166 PolarHBondContact O-N 3.39Å; S164-A166 VanDerWaalsContact O-N 3.1Å; S164-C167 WeakPolarHBondContact O-CB 3.2Å; S164-C167 PolarHBondContact O-N 2.79Å
165P91.6Very high93Very high106 Ų10620.9 Ų20.969%0.68814%0.135SC*.THydrogen-bonded Turntrans-65-15.9-176.727.9-36.2000113.5
166A92.4Very high91.8Very high91 Ų9121.5 Ų21.575%0.75214%0.138SC*.THydrogen-bonded Turntrans-79.6-17.317400000113.2S164 Q168S164-A166 PolarHBondContact O-N 3.39Å; S164-A166 VanDerWaalsContact O-N 3.1Å; A166-Q168 PolarHBondContact O-N 3.13Å
167C96.2Very high90.5Very high3 Ų326 Ų262%0.0217%0.17CC..SBendtrans-74.3120.6176-178.30000109.7S164 L169S164-C167 WeakPolarHBondContact O-CB 3.2Å; S164-C167 PolarHBondContact O-N 2.79Å; C167-L169 PolarHBondContact O-N 3.31Å
168Q97.1Very high89.6Confident5 Ų526.9 Ų26.92%0.02318%0.175CC..EExtended strand (participates in β ladder)trans-70.6131.3179.8-175.2176.222.700110.5G27 Q28 G133 L134 V135 A166 I170G27-Q168 WeakPolarHBondContact O-CB 3.48Å; G27-Q168 WeakPolarHBondContact O-CG 3.14Å; Q28-Q168 WeakPolarHBondContact O-CG 3.24Å; Q28-Q168 PolarHBondContact O-NE2 3.47Å; G133-Q168 PolarHBondContact O-N 3.34Å; G133-Q168 VanDerWaalsContact O-N 3.11Å; L134-Q168 CarbonylContact C-O 3.56Å; L134-Q168 WeakPolarHBondContact CA-O 3.47Å; L134-Q168 HydrophobicContact CD1-CB 4.04Å; L134-Q168 HydrophobicContact CD1-CG 4.11Å; V135-Q168 PolarHBondContact N-O 2.97Å; A166-Q168 PolarHBondContact O-N 3.13Å; Q168-I170 HydrophobicContact CG-CD1 4.44Å; Q168-I170 HydrophobicContact CG-CG1 4.12Å
169L97.9Very high89Confident2 Ų228.3 Ų28.31%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-106.1125.3174.4-52.9-177.8000110.6N29 L30 V135 I157 L160 M161 C167 M186N29-L169 CarbonylContact C-O 3.53Å; N29-L169 WeakPolarHBondContact CA-O 3.2Å; N29-L169 HydrophobicContact CB-CB 4.38Å; N29-L169 PolarHBondContact OD1-N 3.36Å; L30-L169 PolarHBondContact N-O 3.16Å; V135-L169 HydrophobicContact CB-CD2 3.78Å; V135-L169 HydrophobicContact CG2-CD2 4.06Å; I157-L169 HydrophobicContact CG2-CD1 3.99Å; L160-L169 HydrophobicContact CB-CD2 4.14Å; L160-L169 HydrophobicContact CD1-CD2 3.81Å; M161-L169 HydrophobicContact CG-CD1 3.74Å; C167-L169 PolarHBondContact O-N 3.31Å; L169-M186 HydrophobicContact CB-CE 3.72Å
170I96.2Very high88.6Confident1 Ų133.8 Ų33.81%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-121.9112.6176.9-57.9-173.2000109.2L30 I32 L47 L134 V135 V136 I137 Q168 M172L30-I170 CarbonylContact O-C 3.55Å; L30-I170 VanDerWaalsContact O-CA 3.29Å; L30-I170 WeakPolarHBondContact O-CA 2.98Å; I32-I170 HydrophobicContact CD1-CG2 3.79Å; L47-I170 HydrophobicContact CD1-CD1 3.6Å; L134-I170 HydrophobicContact CD1-CB 4.48Å; L134-I170 HydrophobicContact CD1-CD1 3.67Å; L134-I170 HydrophobicContact CD1-CG1 3.77Å; V135-I170 PolarHBondContact O-N 2.94Å; V136-I170 CarbonylContact C-O 3.57Å; V136-I170 WeakPolarHBondContact CA-O 3.43Å; I137-I170 PolarHBondContact N-O 3.23Å; Q168-I170 HydrophobicContact CG-CD1 4.44Å; Q168-I170 HydrophobicContact CG-CG1 4.12Å; I170-M172 HydrophobicContact CG2-CG 4.32Å
171G94.9Very high88.2Confident0 Ų036 Ų360%022%0.222CC..EExtended strand (participates in β ladder)trans-102.6127.417600000111.1L30 I31 I32L30-G171 PolarHBondContact O-N 3.38Å; I31-G171 CarbonylContact C-O 3.33Å; I31-G171 WeakPolarHBondContact CA-O 3.36Å; I32-G171 PolarHBondContact N-O 3.21Å
172M92Very high88Confident1 Ų135 Ų351%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-115.2139.9179.3-58.8-173.4-59.800110.1I32 K40 F61 V136 I137 D138 E139 L140 I170I32-M172 HydrophobicContact CB-CG 4.3Å; I32-M172 HydrophobicContact CD1-CG 4.24Å; I32-M172 WeakPolarHBondContact O-CA 3.26Å; K40-M172 HydrophobicContact CB-SD 4.16Å; K40-M172 HydrophobicContact CD-CB 4.37Å; F61-M172 HydrophobicContact CE2-CE 4.42Å; V136-M172 HydrophobicContact CG1-CE 3.63Å; V136-M172 HydrophobicContact CG1-SD 4.4Å; I137-M172 PolarHBondContact O-N 3Å; D138-M172 HydrophobicContact CB-CE 4.17Å; E139-M172 CarbonylContact C-O 3.4Å; E139-M172 WeakPolarHBondContact CA-O 3.38Å; E139-M172 PolarHBondContact N-O 3.32Å; L140-M172 PolarHBondContact N-O 3.24Å; I170-M172 HydrophobicContact CG2-CG 4.32Å
173S87.8Confident87.9Confident0 Ų036.8 Ų36.80%023%0.225CC..EExtended strand (participates in β ladder)trans-152156.5173.6-171.20000111.8I32 S33 L34 H141 T175I32-S173 PolarHBondContact O-N 3.03Å; S33-S173 WeakPolarHBondContact CA-O 3.16Å; L34-S173 PolarHBondContact N-O 3.4Å; H141-S173 WeakPolarHBondContact CB-OG 3.42Å; H141-S173 PolarHBondContact ND1-OG 2.93Å; S173-T175 PolarHBondContact OG-O 2.56Å
174A75.3Confident87.9Confident16 Ų1640.2 Ų40.213%0.13225%0.245CC..SBendtrans-68.8-51.7173.400000113L34 T36L34-A174 CarbonylContact C-O 3.49Å; L34-A174 VanDerWaalsContact O-CA 3.24Å; L34-A174 WeakPolarHBondContact O-CA 3.36Å; T36-A174 HydrophobicContact CG2-CB 3.75Å
175T66.8Low87.9Confident107 Ų10740.3 Ų40.366%0.65625%0.245SC*.  trans-145139.3-179.549.10000108.4S173S173-T175 PolarHBondContact OG-O 2.56Å
176L70.5Confident88.1Confident20 Ų2035.2 Ų35.211%0.10521%0.212CC..  trans-140.6121.3176.4-75.6170000106.8I31 L140 H141 L179 L182I31-L176 HydrophobicContact CG2-CD1 4.05Å; L140-L176 HydrophobicContact CD2-CD1 4.29Å; H141-L176 HydrophobicContact CB-CD2 3.48Å; H141-L176 VanDerWaalsContact CB-CD2 3.48Å; L176-L179 HydrophobicContact CB-CD1 4.46Å; L176-L179 HydrophobicContact CB-CD2 3.4Å; L176-L179 HydrophobicContact CB-CG 3.69Å; L176-L179 HydrophobicContact CD1-CD2 3.48Å; L176-L179 VanDerWaalsContact CD1-CD2 3.48Å; L176-L179 HydrophobicContact CG-CD2 4.05Å; L176-L182 HydrophobicContact CB-CD1 4.41Å; L176-L182 HydrophobicContact CD1-CD1 3.83Å; L176-L182 HydrophobicContact CD2-CD1 3.6Å; L176-L182 HydrophobicContact CG-CD1 4.15Å
177S68.8Low88.2Confident96 Ų9637.8 Ų37.867%0.67121%0.206SC*.SBendtrans-84.5-21.8-175.746.20000113.6
178N80.7Confident88.1Confident18 Ų1837.9 Ų37.910%0.09621%0.207CC..  trans-123.254.1-178.964.3-34.6000112.2D180 H181 L182 A324 C325 Q368N178-D180 PolarHBondContact O-N 3.04Å; N178-H181 PolarHBondContact O-N 2.92Å; N178-L182 PolarHBondContact O-N 2.83Å; N178-A324 HydrophobicContact CB-CB 4.36Å; N178-C325 PolarHBondContact ND2-O 2.76Å; N178-C325 WeakPolarHBondContact OD1-CB 3.24Å; N178-C325 PolarHBondContact OD1-N 2.81Å; N178-C325 VanDerWaalsContact OD1-N 3.16Å; N178-Q368 PolarHBondContact ND2-NE2 2.98Å
179L84.2Confident88Confident29 Ų2940.5 Ų40.515%0.15222%0.221CC..Hα-helixtrans-58.4-33.5-178-78.3170.1000113.4I31 L176 L182 K183 L190 T192I31-L179 HydrophobicContact CG2-CD2 4.01Å; L176-L179 HydrophobicContact CB-CD1 4.46Å; L176-L179 HydrophobicContact CB-CD2 3.4Å; L176-L179 HydrophobicContact CB-CG 3.69Å; L176-L179 HydrophobicContact CD1-CD2 3.48Å; L176-L179 VanDerWaalsContact CD1-CD2 3.48Å; L176-L179 HydrophobicContact CG-CD2 4.05Å; L179-L182 PolarHBondContact O-N 3.03Å; L179-K183 VanDerWaalsContact O-CB 3.26Å; L179-K183 WeakPolarHBondContact O-CB 3.41Å; L179-K183 PolarHBondContact O-N 3.02Å; L179-L190 HydrophobicContact CB-CD1 4.49Å; L179-L190 HydrophobicContact CB-CD2 3.96Å; L179-L190 HydrophobicContact CD1-CD1 4.13Å; L179-L190 HydrophobicContact CD1-CD2 4.07Å; L179-L190 HydrophobicContact CD2-CD1 3.7Å; L179-L190 HydrophobicContact CG-CD1 4.33Å; L179-L190 HydrophobicContact CG-CD2 4.45Å; L179-T192 HydrophobicContact CD1-CG2 3.89Å
180D88.6Confident87.7Confident120 Ų12043.1 Ų43.164%0.64224%0.235SC*.Hα-helixtrans-65.5-43.2-178.9-63.6-45.5000112.3N178 L182 K183 V184N178-D180 PolarHBondContact O-N 3.04Å; D180-L182 VanDerWaalsContact C-N 3.35Å; D180-L182 PolarHBondContact O-N 3.05Å; D180-K183 WeakPolarHBondContact O-CB 3.45Å; D180-K183 PolarHBondContact O-N 2.96Å; D180-V184 WeakPolarHBondContact O-CG2 3.12Å; D180-V184 PolarHBondContact O-N 3.21Å
181H90.4Very high87.3Confident47 Ų4744.6 Ų44.622%0.21824%0.241CC..Hα-helixtrans-62.7-43.3174.6-67.5171.1000111.3N178 K183 V184 F185 L364 V367 Q368 E371N178-H181 PolarHBondContact O-N 2.92Å; H181-K183 VanDerWaalsContact C-N 3.35Å; H181-K183 PolarHBondContact O-N 3.17Å; H181-V184 PolarHBondContact O-N 3.12Å; H181-F185 VanDerWaalsContact O-CB 3.26Å; H181-F185 WeakPolarHBondContact O-CB 3.3Å; H181-F185 PolarHBondContact O-N 3.3Å; H181-L364 HydrophobicContact CB-CD1 4.24Å; H181-V367 HydrophobicContact CB-CG1 4.25Å; H181-Q368 HydrophobicContact CB-CG 4.44Å; H181-E371 IonicContact CD2-OE1 3.44Å; H181-E371 IonicContact CE1-OE1 2.67Å; H181-E371 IonicContact NE2-OE1 3.13Å; H181-E371 PolarHBondContact NE2-OE1 3.1Å
182L91.7Very high86.9Confident0 Ų048.1 Ų48.10%026%0.263CS..Hα-helixtrans-66.9-36.9178.4-68173000112.2I31 I143 L176 N178 L179 D180 F185 M186 L364I31-L182 HydrophobicContact CD1-CB 3.79Å; I31-L182 WeakPolarHBondContact CD1-O 3.36Å; I143-L182 HydrophobicContact CD1-CD2 4.49Å; L176-L182 HydrophobicContact CB-CD1 4.41Å; L176-L182 HydrophobicContact CD1-CD1 3.83Å; L176-L182 HydrophobicContact CD2-CD1 3.6Å; L176-L182 HydrophobicContact CG-CD1 4.15Å; N178-L182 PolarHBondContact O-N 2.83Å; L179-L182 PolarHBondContact O-N 3.03Å; D180-L182 VanDerWaalsContact C-N 3.35Å; D180-L182 PolarHBondContact O-N 3.05Å; L182-F185 HydrophobicContact CD2-CD1 4.3Å; L182-F185 PolarHBondContact O-N 3.38Å; L182-M186 PolarHBondContact O-N 3.44Å; L182-L364 HydrophobicContact CD2-CD1 4.16Å; L182-L364 HydrophobicContact CD2-CD2 3.91Å
183K93.2Very high86.4Confident85 Ų8551.4 Ų51.437%0.3728%0.279SS..Hα-helixtrans-59.7-48.1175.3-169.8-170.6175.6179.10111L179 D180 H181 K187 A188 L190L179-K183 VanDerWaalsContact O-CB 3.26Å; L179-K183 WeakPolarHBondContact O-CB 3.41Å; L179-K183 PolarHBondContact O-N 3.02Å; D180-K183 WeakPolarHBondContact O-CB 3.45Å; D180-K183 PolarHBondContact O-N 2.96Å; H181-K183 VanDerWaalsContact C-N 3.35Å; H181-K183 PolarHBondContact O-N 3.17Å; K183-K187 WeakPolarHBondContact O-CA 3.45Å; K183-K187 PolarHBondContact O-N 3.15Å; K183-A188 WeakPolarHBondContact CE-O 3.26Å; K183-A188 WeakPolarHBondContact CG-O 3.45Å; K183-A188 PolarHBondContact O-N 3.43Å; K183-L190 HydrophobicContact CD-CB 4.41Å
184V94.5Very high85.8Confident95 Ų9559.5 Ų59.558%0.57632%0.316SS*.Hα-helixtrans-65.9-45.6177.21750000110.8D180 H181 K187 V367D180-V184 WeakPolarHBondContact O-CG2 3.12Å; D180-V184 PolarHBondContact O-N 3.21Å; H181-V184 PolarHBondContact O-N 3.12Å; V184-K187 PolarHBondContact O-N 2.91Å; V184-V367 HydrophobicContact CB-CG1 4Å; V184-V367 HydrophobicContact CG1-CG1 3.9Å; V184-V367 HydrophobicContact CG1-CG2 3.96Å
185F95.2Very high85.7Confident4 Ų462.8 Ų62.82%0.01833%0.328CS..Hα-helixtrans-57-53.4178.6164.5-123.7000112.3I143 E154 I157 V158 M161 H181 L182 K187 L362 L364 V367I143-F185 HydrophobicContact CD1-CE1 4.03Å; E154-F185 HydrophobicContact CG-CE2 4.36Å; E154-F185 HydrophobicContact CG-CZ 3.94Å; I157-F185 HydrophobicContact CB-CE1 4.35Å; I157-F185 HydrophobicContact CB-CZ 3.92Å; I157-F185 HydrophobicContact CD1-CE1 3.93Å; I157-F185 HydrophobicContact CD1-CZ 4.26Å; I157-F185 HydrophobicContact CG2-CE1 3.87Å; I157-F185 HydrophobicContact CG2-CE2 4.33Å; I157-F185 HydrophobicContact CG2-CZ 3.59Å; V158-F185 HydrophobicContact CG2-CE2 3.85Å; V158-F185 HydrophobicContact CG2-CZ 4.3Å; M161-F185 HydrophobicContact CE-CD2 4.09Å; M161-F185 HydrophobicContact CE-CE2 3.82Å; M161-F185 HydrophobicContact CE-CZ 4.46Å; M161-F185 VanDerWaalsContact CE-O 3.24Å; M161-F185 WeakPolarHBondContact CE-O 3.24Å; H181-F185 VanDerWaalsContact O-CB 3.26Å; H181-F185 WeakPolarHBondContact O-CB 3.3Å; H181-F185 PolarHBondContact O-N 3.3Å; L182-F185 HydrophobicContact CD2-CD1 4.3Å; L182-F185 PolarHBondContact O-N 3.38Å; F185-K187 VanDerWaalsContact C-N 3.26Å; F185-K187 PolarHBondContact O-N 2.56Å; F185-L362 WeakPolarHBondContact CD2-O 3.45Å; F185-L362 WeakPolarHBondContact CE2-O 3.48Å; F185-L364 HydrophobicContact CB-CB 4.4Å; F185-L364 HydrophobicContact CB-CD1 3.79Å; F185-L364 HydrophobicContact CD1-CB 4.03Å; F185-L364 HydrophobicContact CD1-CD1 4.28Å; F185-L364 HydrophobicContact CD2-CB 3.86Å; F185-L364 HydrophobicContact CE1-CB 4.26Å; F185-L364 HydrophobicContact CE2-CB 4.09Å; F185-L364 VanDerWaalsContact CE2-N 3.31Å; F185-L364 HydrophobicContact CG-CB 3.83Å; F185-L364 HydrophobicContact CG-CD1 4.06Å; F185-L364 HydrophobicContact CZ-CB 4.28Å; F185-V367 HydrophobicContact CB-CG2 4.17Å
186M95.4Very high86Confident0 Ų062.7 Ų62.70%032%0.315CS..Hα-helixtrans-81.1-2.7-179.1-69.6-172.264.800113.8N29 I31 L140 I157 L169 L182 A188N29-M186 WeakPolarHBondContact CB-O 3.33Å; N29-M186 PolarHBondContact ND2-O 3.18Å; I31-M186 HydrophobicContact CD1-CB 4.38Å; I31-M186 HydrophobicContact CD1-SD 4.05Å; I31-M186 HydrophobicContact CG1-SD 3.95Å; L140-M186 HydrophobicContact CD1-SD 3.93Å; L140-M186 HydrophobicContact CD2-SD 3.76Å; L140-M186 HydrophobicContact CG-SD 4.5Å; I157-M186 HydrophobicContact CG2-CG 4.19Å; L169-M186 HydrophobicContact CB-CE 3.72Å; L182-M186 PolarHBondContact O-N 3.44Å; M186-A188 HydrophobicContact CB-CB 3.84Å; M186-A188 PolarHBondContact O-N 2.79Å
187K95.1Very high85.8Confident144 Ų14465 Ų6563%0.62633%0.332SS*.THydrogen-bonded Turntrans47.746.1-169.9-56.8177.4-177174.60111.3K183 V184 F185K183-K187 WeakPolarHBondContact O-CA 3.45Å; K183-K187 PolarHBondContact O-N 3.15Å; V184-K187 PolarHBondContact O-N 2.91Å; F185-K187 VanDerWaalsContact C-N 3.26Å; F185-K187 PolarHBondContact O-N 2.56Å
188A94.8Very high86.1Confident6 Ų665.8 Ų65.85%0.0533%0.332CS..  trans-108.9155.1-168.200000111.9N29 I31 K183 M186N29-A188 HydrophobicContact CB-CB 3.78Å; N29-A188 CarbonylContact O-C 3.6Å; N29-A188 VanDerWaalsContact O-CA 3.24Å; N29-A188 WeakPolarHBondContact O-CA 3.32Å; N29-A188 WeakPolarHBondContact O-CB 3.42Å; I31-A188 HydrophobicContact CD1-CB 4.15Å; I31-A188 HydrophobicContact CG1-CB 3.89Å; K183-A188 WeakPolarHBondContact CE-O 3.26Å; K183-A188 WeakPolarHBondContact CG-O 3.45Å; K183-A188 PolarHBondContact O-N 3.43Å; M186-A188 HydrophobicContact CB-CB 3.84Å; M186-A188 PolarHBondContact O-N 2.79Å
189D93.7Very high85.8Confident59 Ų5971.8 Ų71.832%0.31636%0.364SS..EExtended strand (participates in β ladder)trans-75.5160.3158.5-84.4-15.9000110.2A23 N29 L30 I31A23-D189 HydrophobicContact CB-CB 3.94Å; N29-D189 PolarHBondContact O-N 2.8Å; L30-D189 HydrophobicContact CD1-CB 3.91Å; I31-D189 PolarHBondContact N-O 3.1Å
190L91Very high85.7Confident57 Ų5774.8 Ų74.830%0.29838%0.38SS..EExtended strand (participates in β ladder)trans-119124.3-179.817763.1000109.5I31 L179 K183 T192I31-L190 HydrophobicContact CB-CD1 4.06Å; I31-L190 HydrophobicContact CG2-CD1 3.87Å; L179-L190 HydrophobicContact CB-CD1 4.49Å; L179-L190 HydrophobicContact CB-CD2 3.96Å; L179-L190 HydrophobicContact CD1-CD1 4.13Å; L179-L190 HydrophobicContact CD1-CD2 4.07Å; L179-L190 HydrophobicContact CD2-CD1 3.7Å; L179-L190 HydrophobicContact CG-CD1 4.33Å; L179-L190 HydrophobicContact CG-CD2 4.45Å; K183-L190 HydrophobicContact CD-CB 4.41Å; L190-T192 HydrophobicContact CD1-CG2 3.79Å; L190-T192 HydrophobicContact CD2-CG2 3.92Å; L190-T192 HydrophobicContact CG-CG2 3.73Å
191F89.2Confident85.7Confident32 Ų3273 Ų7314%0.1437%0.373CS..EExtended strand (participates in β ladder)trans-112.4118.5167.2-171.6-87.4000109.8W14 K17 V18 L30 I31 I32 S33 L34 H193W14-F191 HydrophobicContact CE3-CE1 4.23Å; K17-F191 HydrophobicContact CB-CE2 4.04Å; K17-F191 HydrophobicContact CB-CZ 4.1Å; V18-F191 HydrophobicContact CG2-CD1 3.31Å; V18-F191 HydrophobicContact CG2-CD2 3.82Å; V18-F191 HydrophobicContact CG2-CE1 3.21Å; V18-F191 HydrophobicContact CG2-CE2 3.73Å; V18-F191 HydrophobicContact CG2-CG 3.61Å; V18-F191 HydrophobicContact CG2-CZ 3.43Å; V18-F191 VanDerWaalsContact CG2-CZ 3.43Å; L30-F191 HydrophobicContact CD1-CB 4.28Å; I31-F191 PolarHBondContact O-N 3Å; I32-F191 WeakPolarHBondContact CA-O 3.45Å; S33-F191 PolarHBondContact N-O 3.38Å; L34-F191 HydrophobicContact CD2-CD1 4.28Å; L34-F191 HydrophobicContact CD2-CE1 4.1Å; F191-H193 HydrophobicContact CE1-CB 4Å
192T86.2Confident85.8Confident75 Ų7575.3 Ų75.346%0.4638%0.384SS..EExtended strand (participates in β ladder)trans-120.2145.1173.464.80000110.6S33 L179 L190S33-T192 WeakPolarHBondContact O-CA 3.2Å; L179-T192 HydrophobicContact CD1-CG2 3.89Å; L190-T192 HydrophobicContact CD1-CG2 3.79Å; L190-T192 HydrophobicContact CD2-CG2 3.92Å; L190-T192 HydrophobicContact CG-CG2 3.73Å
193H81.8Confident85.8Confident70 Ų7080.1 Ų80.132%0.32440%0.403SS..  trans-153.8138.4172.2-156.149.3000110.2W14 S33 L34 P35 F191 F195W14-H193 VanDerWaalsContact CB-CD2 3.45Å; W14-H193 WeakPolarHBondContact CB-CD2 3.49Å; W14-H193 AromaticContact CG-CD2 3.94Å; S33-H193 PolarHBondContact O-N 2.91Å; L34-H193 HydrophobicContact CD2-CB 3.29Å; P35-H193 WeakPolarHBondContact CD-O 3.25Å; F191-H193 HydrophobicContact CE1-CB 4Å; H193-F195 VanDerWaalsContact C-N 3.33Å; H193-F195 VanDerWaalsContact CD2-CB 3.43Å; H193-F195 WeakPolarHBondContact CD2-CB 3.42Å; H193-F195 PolarHBondContact O-N 3.08Å
194Q74.4Confident85.8Confident170 Ų17078.9 Ų78.979%0.79440%0.402SS*.  trans-90.68.7-176-64.5-65.2-6.700113.8R196Q194-R196 PolarHBondContact O-N 3.24Å
195F72.9Confident85.7Confident85 Ų8577 Ų7737%0.37339%0.387SS..  trans-64122.9-177.2176.7-97.1000112W14 H193 P197W14-F195 AromaticContact CD1-CD1 3.9Å; W14-F195 AromaticContact NE1-CD1 3.87Å; H193-F195 VanDerWaalsContact C-N 3.33Å; H193-F195 VanDerWaalsContact CD2-CB 3.43Å; H193-F195 WeakPolarHBondContact CD2-CB 3.42Å; H193-F195 PolarHBondContact O-N 3.08Å; F195-P197 HydrophobicContact CE1-CB 4.49Å
196R72.8Confident85.4Confident104 Ų10480.2 Ų80.239%0.39241%0.406SS..  trans-114.5139.3163.3-77.2-175.4-172.3-1523.9109.9P35 Q194 V198 L200P35-R196 HydrophobicContact CB-CG 3.73Å; P35-R196 HydrophobicContact CG-CG 4.14Å; Q194-R196 PolarHBondContact O-N 3.24Å; R196-V198 WeakPolarHBondContact CB-O 3.37Å; R196-V198 PolarHBondContact O-N 3.28Å; R196-L200 VanDerWaalsContact CZ-CD1 3.4Å
197P68.1Low85.1Confident69 Ų6986.3 Ų86.345%0.44844%0.439SS..SBendtrans-67.1-20.1175.625.7-32.1000113.2F195F195-P197 HydrophobicContact CE1-CB 4.49Å
198V73.6Confident84.8Confident113 Ų11381.2 Ų81.269%0.68542%0.417SS*.SBendtrans-120.7123.1175.5-176.50000107.8R196 L200R196-V198 WeakPolarHBondContact CB-O 3.37Å; R196-V198 PolarHBondContact O-N 3.28Å; V198-L200 PolarHBondContact O-N 3.37Å
199N74.2Confident84.7Confident144 Ų14483.6 Ų83.677%0.7743%0.429SS*.  trans-63.3131.5176.7-75.4-8.5000109.8
200L82.3Confident84.7Confident91 Ų9181 Ų8148%0.47642%0.415SS..  trans-82.4137.5169.1-69.5175.3000108.9R196 V198R196-L200 VanDerWaalsContact CZ-CD1 3.4Å; V198-L200 PolarHBondContact O-N 3.37Å
201T88.6Confident84.8Confident83 Ų8380.9 Ų80.951%0.50941%0.411SS..  trans-110.1118.6167.2-48.20000107.1Y203 K212T201-Y203 HydrophobicContact CG2-CD2 4.38Å; T201-Y203 HydrophobicContact CG2-CE2 3.48Å; T201-Y203 VanDerWaalsContact CG2-CE2 3.48Å; T201-K212 HydrophobicContact CG2-CD 4.42Å; T201-K212 HydrophobicContact CG2-CG 4.4Å
202E92.3Very high85.1Confident96 Ų9683.7 Ų83.745%0.44942%0.423SS..  trans-103.1140.8-174.1-67.4175.2-160.500110.1V213E202-V213 HydrophobicContact CB-CB 3.9Å; E202-V213 HydrophobicContact CB-CG2 3.86Å; E202-V213 PolarHBondContact O-N 3.35Å
203Y93.1Very high85.3Confident101 Ų10181 Ų8140%0.39641%0.407SS..EExtended strand (participates in β ladder)trans-133.2143.3179.3-63.6-92.4000109.3T201 V210 Y211 K212 Y227T201-Y203 HydrophobicContact CG2-CD2 4.38Å; T201-Y203 HydrophobicContact CG2-CE2 3.48Å; T201-Y203 VanDerWaalsContact CG2-CE2 3.48Å; Y203-V210 HydrophobicContact CD1-CG1 4.02Å; Y203-V210 HydrophobicContact CG-CG1 4.45Å; Y203-Y211 CarbonylContact C-O 3.53Å; Y203-Y211 WeakPolarHBondContact CA-O 3.47Å; Y203-K212 HydrophobicContact CD1-CB 3.95Å; Y203-K212 HydrophobicContact CD1-CG 4.24Å; Y203-K212 HydrophobicContact CE1-CB 3.8Å; Y203-K212 HydrophobicContact CE1-CD 4.27Å; Y203-K212 HydrophobicContact CE1-CG 3.84Å; Y203-Y227 AromaticContact CD1-CD1 3.84Å; Y203-Y227 HydrophobicContact CD1-CD1 3.84Å; Y203-Y227 HydrophobicContact CD1-CE1 4.3Å; Y203-Y227 HydrophobicContact CD1-CG 4.27Å; Y203-Y227 AromaticContact CE1-CD1 3.44Å; Y203-Y227 HydrophobicContact CE1-CD1 3.44Å; Y203-Y227 VanDerWaalsContact CE1-CD1 3.44Å; Y203-Y227 HydrophobicContact CE1-CD2 4.2Å; Y203-Y227 AromaticContact CE1-CE1 3.6Å; Y203-Y227 HydrophobicContact CE1-CE1 3.6Å; Y203-Y227 HydrophobicContact CE1-CE2 4.35Å; Y203-Y227 AromaticContact CE1-CG 3.77Å; Y203-Y227 HydrophobicContact CE1-CG 3.77Å
204V93.5Very high85.6Confident58 Ų5881 Ų8135%0.35241%0.409SS..EExtended strand (participates in β ladder)trans-120.5122.8175.1-179.10000107.9V206 Y211 V213 L224V204-V206 HydrophobicContact CG1-CG2 4.11Å; V204-Y211 PolarHBondContact N-O 2.94Å; V204-Y211 PolarHBondContact O-N 3.21Å; V204-V213 HydrophobicContact CG2-CG2 3.73Å; V204-L224 HydrophobicContact CB-CD2 4.05Å; V204-L224 HydrophobicContact CG2-CD2 3.89Å
205K91.5Very high86Confident57 Ų5777.5 Ų77.525%0.24840%0.4CS..EExtended strand (participates in β ladder)trans-94127.7171.1179-171.2-177.9-85.50109D207 L209 V210 D239 L244K205-D207 WeakPolarHBondContact CE-O 3.33Å; K205-D207 WeakPolarHBondContact CG-O 3.5Å; K205-D207 PolarHBondContact NZ-O 3.38Å; K205-L209 CarbonylContact C-O 3.18Å; K205-L209 WeakPolarHBondContact CA-O 3.44Å; K205-V210 HydrophobicContact CB-CG2 4.45Å; K205-V210 HydrophobicContact CG-CG2 4.43Å; K205-D239 WeakPolarHBondContact CE-O 3.29Å; K205-D239 PolarHBondContact NZ-O 3.13Å; K205-D239 VanDerWaalsContact NZ-O 3.08Å; K205-L244 HydrophobicContact CD-CD1 4.31Å
206V89.5Confident86.4Confident70 Ų7080.1 Ų80.142%0.42442%0.417SS..EExtended strand (participates in β ladder)trans-125.2115.8168.7-174.70000107.1V204 Q208 L209 Y211V204-V206 HydrophobicContact CG1-CG2 4.11Å; V206-Q208 PolarHBondContact O-N 3.27Å; V206-Q208 VanDerWaalsContact O-N 3.13Å; V206-L209 PolarHBondContact N-O 2.98Å; V206-L209 PolarHBondContact O-N 2.79Å; V206-Y211 HydrophobicContact CB-CE2 4.29Å; V206-Y211 HydrophobicContact CG2-CD2 4.49Å; V206-Y211 HydrophobicContact CG2-CE2 4.41Å
207D87.6Confident86.9Confident128 Ų12876.5 Ų76.568%0.68441%0.408SS*.THydrogen-bonded Turntrans49.3-117.1-170.3-58.4-37.5000111.2K205K205-D207 WeakPolarHBondContact CE-O 3.33Å; K205-D207 WeakPolarHBondContact CG-O 3.5Å; K205-D207 PolarHBondContact NZ-O 3.38Å
208Q89.7Confident87.5Confident37 Ų3782.3 Ų82.317%0.17343%0.429CS..THydrogen-bonded Turntrans-91.9-3.7179.4-58.4-42.1119.800114V206 Q229 V230 E231 N240V206-Q208 PolarHBondContact O-N 3.27Å; V206-Q208 VanDerWaalsContact O-N 3.13Å; Q208-Q229 HydrophobicContact CB-CG 4.12Å; Q208-Q229 CarbonylContact O-C 3.49Å; Q208-Q229 VanDerWaalsContact O-CA 3.29Å; Q208-Q229 WeakPolarHBondContact O-CA 3.38Å; Q208-Q229 WeakPolarHBondContact O-CG 3.07Å; Q208-V230 PolarHBondContact NE2-O 3.06Å; Q208-V230 VanDerWaalsContact NE2-O 3.13Å; Q208-V230 VanDerWaalsContact O-CG2 3.25Å; Q208-V230 WeakPolarHBondContact O-CG2 3.5Å; Q208-V230 PolarHBondContact O-N 2.76Å; Q208-E231 VanDerWaalsContact NE2-C 3.31Å; Q208-E231 PolarHBondContact NE2-O 3Å; Q208-N240 PolarHBondContact NE2-OD1 3.48Å; Q208-N240 VanDerWaalsContact NE2-OD1 3.11Å
209L92.3Very high88.1Confident57 Ų5779 Ų7930%0.29841%0.407SS..EExtended strand (participates in β ladder)trans-100.6126.9-172.9-55.1176.9000109.2K205 V206 Y211 F226 Q229K205-L209 CarbonylContact C-O 3.18Å; K205-L209 WeakPolarHBondContact CA-O 3.44Å; V206-L209 PolarHBondContact N-O 2.98Å; V206-L209 PolarHBondContact O-N 2.79Å; L209-Y211 HydrophobicContact CB-CD2 4.37Å; L209-Y211 HydrophobicContact CB-CE2 3.52Å; L209-Y211 VanDerWaalsContact CD1-OH 3.23Å; L209-Y211 WeakPolarHBondContact CD1-OH 3.49Å; L209-F226 HydrophobicContact CD2-CE2 3.88Å; L209-Q229 HydrophobicContact CD2-CB 4.13Å; L209-Q229 HydrophobicContact CD2-CG 4Å
210V93.2Very high88.3Confident4 Ų477 Ų772%0.02440%0.402CS..EExtended strand (participates in β ladder)trans-104124.3172.8-176.50000107.7Y203 K205 Y227 R228 V230Y203-V210 HydrophobicContact CD1-CG1 4.02Å; Y203-V210 HydrophobicContact CG-CG1 4.45Å; K205-V210 HydrophobicContact CB-CG2 4.45Å; K205-V210 HydrophobicContact CG-CG2 4.43Å; V210-Y227 HydrophobicContact CG1-CD1 4.22Å; V210-Y227 WeakPolarHBondContact O-CA 3.43Å; V210-Y227 WeakPolarHBondContact O-CB 3.32Å; V210-Y227 PolarHBondContact O-N 3.38Å; V210-R228 HydrophobicContact CB-CG 3.99Å; V210-R228 HydrophobicContact CG2-CG 4.35Å; V210-R228 PolarHBondContact N-O 2.94Å; V210-R228 PolarHBondContact O-N 2.91Å; V210-R228 VanDerWaalsContact O-N 3.13Å; V210-V230 HydrophobicContact CG2-CG1 4.1Å; V210-V230 HydrophobicContact CG2-CG2 4.14Å
211Y94.2Very high88.2Confident54 Ų5483 Ų8321%0.21242%0.418CS..EExtended strand (participates in β ladder)trans-107.4139.7176.2-60.3-93000109.1Y203 V204 V206 L209 L224 A225 F226Y203-Y211 CarbonylContact C-O 3.53Å; Y203-Y211 WeakPolarHBondContact CA-O 3.47Å; V204-Y211 PolarHBondContact N-O 2.94Å; V204-Y211 PolarHBondContact O-N 3.21Å; V206-Y211 HydrophobicContact CB-CE2 4.29Å; V206-Y211 HydrophobicContact CG2-CD2 4.49Å; V206-Y211 HydrophobicContact CG2-CE2 4.41Å; L209-Y211 HydrophobicContact CB-CD2 4.37Å; L209-Y211 HydrophobicContact CB-CE2 3.52Å; L209-Y211 VanDerWaalsContact CD1-OH 3.23Å; L209-Y211 WeakPolarHBondContact CD1-OH 3.49Å; Y211-L224 HydrophobicContact CD1-CB 3.97Å; Y211-L224 HydrophobicContact CG-CB 4.03Å; Y211-A225 CarbonylContact C-O 3.57Å; Y211-A225 VanDerWaalsContact CA-O 3.25Å; Y211-A225 WeakPolarHBondContact CA-O 3.37Å; Y211-F226 HydrophobicContact CD1-CB 4.25Å; Y211-F226 HydrophobicContact CE1-CB 4.15Å; Y211-F226 HydrophobicContact CE1-CD2 4.46Å
212K94.5Very high88.1Confident92 Ų9285.8 Ų85.840%0.443%0.426SS..EExtended strand (participates in β ladder)trans-88.4131.3167.8-174.1-179.4179.5-174.50108T201 Y203 D214 A225 Y227T201-K212 HydrophobicContact CG2-CD 4.42Å; T201-K212 HydrophobicContact CG2-CG 4.4Å; Y203-K212 HydrophobicContact CD1-CB 3.95Å; Y203-K212 HydrophobicContact CD1-CG 4.24Å; Y203-K212 HydrophobicContact CE1-CB 3.8Å; Y203-K212 HydrophobicContact CE1-CD 4.27Å; Y203-K212 HydrophobicContact CE1-CG 3.84Å; K212-D214 PolarHBondContact O-N 3.18Å; K212-A225 PolarHBondContact N-O 2.83Å; K212-A225 PolarHBondContact O-N 2.97Å; K212-Y227 HydrophobicContact CB-CG 4.43Å
213V92.2Very high87.9Confident18 Ų1884.2 Ų84.211%0.10942%0.419CS..EExtended strand (participates in β ladder)trans-76.8119.2175.5-177.10000108.3E202 V204 T215 M223 L224E202-V213 HydrophobicContact CB-CB 3.9Å; E202-V213 HydrophobicContact CB-CG2 3.86Å; E202-V213 PolarHBondContact O-N 3.35Å; V204-V213 HydrophobicContact CG2-CG2 3.73Å; V213-T215 HydrophobicContact CG1-CG2 4.36Å; V213-T215 PolarHBondContact O-N 3.22Å; V213-M223 HydrophobicContact CG1-CG 3.88Å; V213-M223 HydrophobicContact CG1-SD 3.9Å; V213-L224 HydrophobicContact CG2-CD2 4.06Å
214D87.9Confident87.8Confident71 Ų7183 Ų8338%0.3842%0.419SS..  trans-85.597.2168.2-173.3-0.9000109.7K212 N216 C217 M223K212-D214 PolarHBondContact O-N 3.18Å; D214-N216 PolarHBondContact O-N 2.92Å; D214-N216 VanDerWaalsContact O-N 3.09Å; D214-N216 WeakPolarHBondContact OD1-CB 3.47Å; D214-N216 PolarHBondContact OD1-N 3.42Å; D214-C217 HydrophobicContact CB-CB 4.07Å; D214-C217 WeakPolarHBondContact O-CB 3.38Å; D214-C217 PolarHBondContact O-N 3.37Å; D214-C217 VanDerWaalsContact O-N 3.09Å; D214-M223 PolarHBondContact N-O 2.93Å
215T81.3Confident87.7Confident96 Ų9682.7 Ų82.759%0.58942%0.422SS*.THydrogen-bonded Turntrans-65.4-10.2179.657.20000113.9V213V213-T215 HydrophobicContact CG1-CG2 4.36Å; V213-T215 PolarHBondContact O-N 3.22Å
216N82.6Confident87.7Confident139 Ų13985.9 Ų85.974%0.74344%0.436SS*.THydrogen-bonded Turntrans-93.2-13.3176.2-58.6-43.9000112.8D214D214-N216 PolarHBondContact O-N 2.92Å; D214-N216 VanDerWaalsContact O-N 3.09Å; D214-N216 WeakPolarHBondContact OD1-CB 3.47Å; D214-N216 PolarHBondContact OD1-N 3.42Å
217C82.4Confident87.9Confident28 Ų2887.9 Ų87.919%0.18944%0.437CS..  trans-77.3124.9178.9-1720000110.6D214D214-C217 HydrophobicContact CB-CB 4.07Å; D214-C217 WeakPolarHBondContact O-CB 3.38Å; D214-C217 PolarHBondContact O-N 3.37Å; D214-C217 VanDerWaalsContact O-N 3.09Å
218Q80.6Confident88.2Confident191 Ų19185 Ų8589%0.89342%0.417SS*.  trans-85.3-23.9-178.6-66.2-174.35.700113.2P220Q218-P220 WeakPolarHBondContact O-CD 3.4Å
219D85.6Confident88.3Confident44 Ų4489.7 Ų89.724%0.23544%0.439CS..  trans-85.9115.1177-167.2-27.9000109.8R221 E222 M223D219-R221 PolarHBondContact O-N 2.92Å; D219-R221 VanDerWaalsContact OD1-CB 3.29Å; D219-R221 WeakPolarHBondContact OD1-CB 3.48Å; D219-R221 WeakPolarHBondContact OD1-CG 3.48Å; D219-R221 IonicContact OD1-CZ 3.92Å; D219-R221 PolarHBondContact OD1-N 2.99Å; D219-R221 IonicContact OD1-NE 2.7Å; D219-R221 PolarHBondContact OD1-NE 3.01Å; D219-R221 IonicContact OD1-NH2 3.86Å; D219-R221 IonicContact OD2-CZ 2.84Å; D219-R221 IonicContact OD2-NE 3.99Å; D219-R221 PolarHBondContact OD2-NE 3.36Å; D219-R221 IonicContact OD2-NH2 2.86Å; D219-R221 PolarHBondContact OD2-NH2 3.33Å; D219-E222 HydrophobicContact CB-CB 4.48Å; D219-E222 PolarHBondContact O-N 3.06Å; D219-M223 PolarHBondContact O-N 3.25Å
220P79.5Confident88.1Confident101 Ų10187.1 Ų87.166%0.65643%0.425SS*.THydrogen-bonded Turntrans-56.9-24.9178-23.434000113.8Q218 E222Q218-P220 WeakPolarHBondContact O-CD 3.4Å; P220-E222 VanDerWaalsContact C-N 3.31Å
221R81Confident87.6Confident217 Ų21794.6 Ų94.682%0.81946%0.46SS*.THydrogen-bonded Turntrans-75-21.5-179.5-61.7172.1-68.6-177.13.9112.9D219D219-R221 PolarHBondContact O-N 2.92Å; D219-R221 VanDerWaalsContact OD1-CB 3.29Å; D219-R221 WeakPolarHBondContact OD1-CB 3.48Å; D219-R221 WeakPolarHBondContact OD1-CG 3.48Å; D219-R221 IonicContact OD1-CZ 3.92Å; D219-R221 PolarHBondContact OD1-N 2.99Å; D219-R221 IonicContact OD1-NE 2.7Å; D219-R221 PolarHBondContact OD1-NE 3.01Å; D219-R221 IonicContact OD1-NH2 3.86Å; D219-R221 IonicContact OD2-CZ 2.84Å; D219-R221 IonicContact OD2-NE 3.99Å; D219-R221 PolarHBondContact OD2-NE 3.36Å; D219-R221 IonicContact OD2-NH2 2.86Å; D219-R221 PolarHBondContact OD2-NH2 3.33Å
222E85.8Confident86.9Confident142 Ų142102.9 Ų102.966%0.66449%0.491SS*.THydrogen-bonded Turntrans-111.1-2.4-178.5-62.5-173.9176.900112.8D219 P220 L224D219-E222 HydrophobicContact CB-CB 4.48Å; D219-E222 PolarHBondContact O-N 3.06Å; P220-E222 VanDerWaalsContact C-N 3.31Å; E222-L224 PolarHBondContact O-N 3.21Å
223M88.8Confident85.9Confident64 Ų6499.5 Ų99.532%0.31548%0.483SS..  trans-63.8-25.6-175.8-171.2-173.1-70.500113.9V213 D214 D219V213-M223 HydrophobicContact CG1-CG 3.88Å; V213-M223 HydrophobicContact CG1-SD 3.9Å; D214-M223 PolarHBondContact N-O 2.93Å; D219-M223 PolarHBondContact O-N 3.25Å
224L91Very high85.5Confident75 Ų75102.5 Ų102.539%0.39350%0.501SS..EExtended strand (participates in β ladder)trans-9596.6-178.1-65-176.3000110.8V204 Y211 V213 E222V204-L224 HydrophobicContact CB-CD2 4.05Å; V204-L224 HydrophobicContact CG2-CD2 3.89Å; Y211-L224 HydrophobicContact CD1-CB 3.97Å; Y211-L224 HydrophobicContact CG-CB 4.03Å; V213-L224 HydrophobicContact CG2-CD2 4.06Å; E222-L224 PolarHBondContact O-N 3.21Å
225A90.3Very high85.3Confident51 Ų51104.3 Ų104.342%0.42153%0.526SS..EExtended strand (participates in β ladder)trans-82.7124.3172.900000109.7Y211 K212 Y227Y211-A225 CarbonylContact C-O 3.57Å; Y211-A225 VanDerWaalsContact CA-O 3.25Å; Y211-A225 WeakPolarHBondContact CA-O 3.37Å; K212-A225 PolarHBondContact N-O 2.83Å; K212-A225 PolarHBondContact O-N 2.97Å; A225-Y227 PolarHBondContact O-N 3.03Å
226F92.6Very high85.7Confident124 Ų124104.9 Ų104.954%0.54452%0.524SS..EExtended strand (participates in β ladder)trans-54.6125.9174.3172.6-102.6000109.8L209 Y211 R228 Q229L209-F226 HydrophobicContact CD2-CE2 3.88Å; Y211-F226 HydrophobicContact CD1-CB 4.25Å; Y211-F226 HydrophobicContact CE1-CB 4.15Å; Y211-F226 HydrophobicContact CE1-CD2 4.46Å; F226-R228 VanDerWaalsContact CE2-C 3.49Å; F226-R228 WeakPolarHBondContact CE2-O 3.32Å; F226-Q229 HydrophobicContact CZ-CB 4.46Å
227Y93.3Very high86.1Confident112 Ų11298.3 Ų98.344%0.43949%0.489SS..EExtended strand (participates in β ladder)trans-109-53-177.4175.9-118.2000111.5Y203 V210 K212 A225Y203-Y227 AromaticContact CD1-CD1 3.84Å; Y203-Y227 HydrophobicContact CD1-CD1 3.84Å; Y203-Y227 HydrophobicContact CD1-CE1 4.3Å; Y203-Y227 HydrophobicContact CD1-CG 4.27Å; Y203-Y227 AromaticContact CE1-CD1 3.44Å; Y203-Y227 HydrophobicContact CE1-CD1 3.44Å; Y203-Y227 VanDerWaalsContact CE1-CD1 3.44Å; Y203-Y227 HydrophobicContact CE1-CD2 4.2Å; Y203-Y227 AromaticContact CE1-CE1 3.6Å; Y203-Y227 HydrophobicContact CE1-CE1 3.6Å; Y203-Y227 HydrophobicContact CE1-CE2 4.35Å; Y203-Y227 AromaticContact CE1-CG 3.77Å; Y203-Y227 HydrophobicContact CE1-CG 3.77Å; V210-Y227 HydrophobicContact CG1-CD1 4.22Å; V210-Y227 WeakPolarHBondContact O-CA 3.43Å; V210-Y227 WeakPolarHBondContact O-CB 3.32Å; V210-Y227 PolarHBondContact O-N 3.38Å; K212-Y227 HydrophobicContact CB-CG 4.43Å; A225-Y227 PolarHBondContact O-N 3.03Å
228R94Very high86.3Confident69 Ų69100.9 Ų100.926%0.2651%0.505SS..EExtended strand (participates in β ladder)trans-162169.4176.967.6-176.7-178.4-140.2-10.6111.3V210 F226 E247V210-R228 HydrophobicContact CB-CG 3.99Å; V210-R228 HydrophobicContact CG2-CG 4.35Å; V210-R228 PolarHBondContact N-O 2.94Å; V210-R228 PolarHBondContact O-N 2.91Å; V210-R228 VanDerWaalsContact O-N 3.13Å; F226-R228 VanDerWaalsContact CE2-C 3.49Å; F226-R228 WeakPolarHBondContact CE2-O 3.32Å; R228-E247 IonicContact CZ-OE1 2.75Å; R228-E247 IonicContact CZ-OE2 3.9Å; R228-E247 IonicContact NE-OE1 3.04Å; R228-E247 IonicContact NH1-OE1 3.27Å; R228-E247 PolarHBondContact NH1-OE1 3.41Å; R228-E247 IonicContact NH1-OE2 3.88Å; R228-E247 PolarHBondContact NH1-OE2 2.93Å; R228-E247 IonicContact NH2-OE1 3.8Å; R228-E247 PolarHBondContact NH2-OE1 3.39Å; R228-E247 IonicContact NH2-OE2 3.43Å; R228-E247 PolarHBondContact NH2-OE2 3.48Å
229Q91.2Very high86.6Confident135 Ų13596.6 Ų96.663%0.63149%0.488SS*.EExtended strand (participates in β ladder)trans-108.6134.3168.1-176.5173.5-5.600109.3Q208 L209 F226Q208-Q229 HydrophobicContact CB-CG 4.12Å; Q208-Q229 CarbonylContact O-C 3.49Å; Q208-Q229 VanDerWaalsContact O-CA 3.29Å; Q208-Q229 WeakPolarHBondContact O-CA 3.38Å; Q208-Q229 WeakPolarHBondContact O-CG 3.07Å; L209-Q229 HydrophobicContact CD2-CB 4.13Å; L209-Q229 HydrophobicContact CD2-CG 4Å; F226-Q229 HydrophobicContact CZ-CB 4.46Å
230V88.8Confident86.9Confident3 Ų394.7 Ų94.72%0.01848%0.478CS..PPolyproline II helixtrans-94.4148.6171.8-800000110.4Q208 V210 E243Q208-V230 PolarHBondContact NE2-O 3.06Å; Q208-V230 VanDerWaalsContact NE2-O 3.13Å; Q208-V230 VanDerWaalsContact O-CG2 3.25Å; Q208-V230 WeakPolarHBondContact O-CG2 3.5Å; Q208-V230 PolarHBondContact O-N 2.76Å; V210-V230 HydrophobicContact CG2-CG1 4.1Å; V210-V230 HydrophobicContact CG2-CG2 4.14Å; V230-E243 WeakPolarHBondContact CB-OE1 3.34Å; V230-E243 HydrophobicContact CG1-CG 4.34Å; V230-E243 WeakPolarHBondContact CG1-OE1 3.32Å
231E83.1Confident87.5Confident160 Ų16091.6 Ų91.675%0.74846%0.456SS*.PPolyproline II helixtrans-62.5154.3-179.5-74-168.4171.500111.6Q208 G233 N240 E243Q208-E231 VanDerWaalsContact NE2-C 3.31Å; Q208-E231 PolarHBondContact NE2-O 3Å; E231-G233 PolarHBondContact O-N 3.48Å; E231-G233 VanDerWaalsContact O-N 3.15Å; E231-N240 PolarHBondContact O-ND2 3.39Å; E231-E243 PolarHBondContact N-OE1 3.25Å
232R78.5Confident88Confident228 Ų22882.4 Ų82.486%0.8643%0.425SS*.PPolyproline II helixtrans-61122.8-176.3-151.5175.6-169.4179.52.8110.3
233G73.9Confident88.2Confident22 Ų2278.1 Ų78.123%0.22741%0.405CS..PPolyproline II helixtrans-54.4149.3-179.600000112.4E231 D237 N240E231-G233 PolarHBondContact O-N 3.48Å; E231-G233 VanDerWaalsContact O-N 3.15Å; G233-D237 WeakPolarHBondContact CA-O 3.3Å; G233-N240 WeakPolarHBondContact CA-ND2 3.28Å; G233-N240 PolarHBondContact N-ND2 2.9Å; G233-N240 PolarHBondContact N-OD1 3.23Å
234T83Confident88.3Confident81 Ų8177.8 Ų77.850%0.49740%0.404SS..PPolyproline II helixtrans-69.1160.2174.467.40000110.1I236 D237T234-I236 PolarHBondContact O-N 2.92Å; T234-D237 CarbonylContact O-C 3.37Å; T234-D237 PolarHBondContact O-N 3.02Å; T234-D237 PolarHBondContact OG1-N 2.85Å
235A83.6Confident88.5Confident109 Ų10974.6 Ų74.690%0.90139%0.387SS*.SBendtrans-56.4-22.2176.300000113.7
236I90Very high88.5Confident107 Ų10774.8 Ų74.855%0.54938%0.384SS..SBendtrans-89.5-31.4179.6-60.6171.5000111.1T234 P238 L270 V274T234-I236 PolarHBondContact O-N 2.92Å; I236-P238 VanDerWaalsContact C-CD 3.5Å; I236-P238 WeakPolarHBondContact O-CD 3.41Å; I236-L270 HydrophobicContact CG2-CD1 3.52Å; I236-L270 WeakPolarHBondContact O-CD1 3.47Å; I236-V274 HydrophobicContact CB-CG1 4.28Å; I236-V274 HydrophobicContact CG2-CG1 3.88Å
237D90.9Very high88.4Confident2 Ų273.5 Ų73.51%0.01138%0.379CS..  trans-122.572.7179.8-178.424.7000110.7G233 T234 D239 N240 L241 S242 L270 V274G233-D237 WeakPolarHBondContact CA-O 3.3Å; T234-D237 CarbonylContact O-C 3.37Å; T234-D237 PolarHBondContact O-N 3.02Å; T234-D237 PolarHBondContact OG1-N 2.85Å; D237-D239 PolarHBondContact O-N 3.25Å; D237-N240 PolarHBondContact O-N 3.16Å; D237-N240 PolarHBondContact OD1-N 3Å; D237-L241 VanDerWaalsContact CG-N 3.35Å; D237-L241 PolarHBondContact OD1-N 2.91Å; D237-L241 PolarHBondContact OD2-N 3Å; D237-S242 VanDerWaalsContact OD2-CB 3.3Å; D237-S242 WeakPolarHBondContact OD2-CB 3.41Å; D237-S242 PolarHBondContact OD2-N 3.28Å; D237-S242 PolarHBondContact OD2-OG 3.45Å; D237-L270 HydrophobicContact CB-CD1 4.41Å; D237-V274 HydrophobicContact CB-CB 4.37Å; D237-V274 HydrophobicContact CB-CG1 4Å; D237-V274 HydrophobicContact CB-CG2 4.26Å
238P86Confident88.4Confident81 Ų8171 Ų7153%0.52638%0.376SS..THydrogen-bonded Turntrans-65.9-22.8-176.727.6-35.6000113I236I236-P238 VanDerWaalsContact C-CD 3.5Å; I236-P238 WeakPolarHBondContact O-CD 3.41Å
239D88.3Confident88.3Confident101 Ų10169.4 Ų69.454%0.5437%0.373SS..THydrogen-bonded Turntrans-932-177.5-67.5-44.7000113.6K205 D237 L241K205-D239 WeakPolarHBondContact CE-O 3.29Å; K205-D239 PolarHBondContact NZ-O 3.13Å; K205-D239 VanDerWaalsContact NZ-O 3.08Å; D237-D239 PolarHBondContact O-N 3.25Å; D239-L241 VanDerWaalsContact C-N 3.26Å; D239-L241 HydrophobicContact CB-CD2 4.5Å; D239-L241 HydrophobicContact CB-CG 4.14Å; D239-L241 PolarHBondContact O-N 3.45Å
240N90.9Very high88.3Confident5 Ų566.3 Ų66.33%0.02737%0.365CS..  trans54.236.2-174.9-62.490.4000113.7Q208 E231 G233 D237 S242 E243 L244Q208-N240 PolarHBondContact NE2-OD1 3.48Å; Q208-N240 VanDerWaalsContact NE2-OD1 3.11Å; E231-N240 PolarHBondContact O-ND2 3.39Å; G233-N240 WeakPolarHBondContact CA-ND2 3.28Å; G233-N240 PolarHBondContact N-ND2 2.9Å; G233-N240 PolarHBondContact N-OD1 3.23Å; D237-N240 PolarHBondContact O-N 3.16Å; D237-N240 PolarHBondContact OD1-N 3Å; N240-S242 PolarHBondContact O-N 2.85Å; N240-E243 HydrophobicContact CB-CB 4.31Å; N240-E243 PolarHBondContact ND2-OE2 3.21Å; N240-E243 PolarHBondContact O-N 2.96Å; N240-L244 WeakPolarHBondContact O-CG 3.49Å; N240-L244 PolarHBondContact O-N 3.12Å
241L92.6Very high88.4Confident36 Ų3671.3 Ų71.319%0.18841%0.406CS..Hα-helixtrans-61.9-35.4179.3-66.8178.8000111.8D237 D239 V245 V267 L270 L271D237-L241 VanDerWaalsContact CG-N 3.35Å; D237-L241 PolarHBondContact OD1-N 2.91Å; D237-L241 PolarHBondContact OD2-N 3Å; D239-L241 VanDerWaalsContact C-N 3.26Å; D239-L241 HydrophobicContact CB-CD2 4.5Å; D239-L241 HydrophobicContact CB-CG 4.14Å; D239-L241 PolarHBondContact O-N 3.45Å; L241-V245 VanDerWaalsContact O-CB 3.31Å; L241-V245 WeakPolarHBondContact O-CB 3.39Å; L241-V245 WeakPolarHBondContact O-CG2 3.22Å; L241-V245 PolarHBondContact O-N 2.95Å; L241-V267 HydrophobicContact CD1-CG1 3.85Å; L241-V267 HydrophobicContact CD1-CG2 4.23Å; L241-L270 HydrophobicContact CD1-CD2 4.24Å; L241-L271 HydrophobicContact CB-CD2 4.03Å
242S91.2Very high88.8Confident23 Ų2365.6 Ų65.616%0.16139%0.391CS..Hα-helixtrans-58.2-49.5177.453.20000112.2D237 N240 V245 T246D237-S242 VanDerWaalsContact OD2-CB 3.3Å; D237-S242 WeakPolarHBondContact OD2-CB 3.41Å; D237-S242 PolarHBondContact OD2-N 3.28Å; D237-S242 PolarHBondContact OD2-OG 3.45Å; N240-S242 PolarHBondContact O-N 2.85Å; S242-V245 PolarHBondContact O-N 2.95Å; S242-T246 WeakPolarHBondContact O-CG2 3.32Å; S242-T246 PolarHBondContact O-N 3.48Å; S242-T246 PolarHBondContact O-OG1 3.39Å; S242-T246 VanDerWaalsContact O-OG1 3.08Å
243E89.4Confident89.4Confident53 Ų5360.3 Ų60.325%0.24839%0.389CS..Hα-helixtrans-61.9-47.3-179-165.8173.9174.700111.3V230 E231 N240 V245 T246 E247V230-E243 WeakPolarHBondContact CB-OE1 3.34Å; V230-E243 HydrophobicContact CG1-CG 4.34Å; V230-E243 WeakPolarHBondContact CG1-OE1 3.32Å; E231-E243 PolarHBondContact N-OE1 3.25Å; N240-E243 HydrophobicContact CB-CB 4.31Å; N240-E243 PolarHBondContact ND2-OE2 3.21Å; N240-E243 PolarHBondContact O-N 2.96Å; E243-V245 VanDerWaalsContact C-N 3.31Å; E243-V245 PolarHBondContact O-N 3.42Å; E243-T246 WeakPolarHBondContact CA-OG1 3.46Å; E243-T246 PolarHBondContact O-N 2.93Å; E243-T246 PolarHBondContact O-OG1 2.82Å; E243-E247 PolarHBondContact O-N 3.37Å
244L92.2Very high90.3Very high57 Ų5761.5 Ų61.530%0.29839%0.393SS..Hα-helixtrans-62.2-38176.5-64.1178000112.3K205 N240K205-L244 HydrophobicContact CD-CD1 4.31Å; N240-L244 WeakPolarHBondContact O-CG 3.49Å; N240-L244 PolarHBondContact O-N 3.12Å
245V94.1Very high90.8Very high7 Ų764.9 Ų64.94%0.04241%0.407CS..Hα-helixtrans-72.6-38.7178.9169.30000111.5L241 S242 E243 E247 V248 V249 I256 L271 L275L241-V245 VanDerWaalsContact O-CB 3.31Å; L241-V245 WeakPolarHBondContact O-CB 3.39Å; L241-V245 WeakPolarHBondContact O-CG2 3.22Å; L241-V245 PolarHBondContact O-N 2.95Å; S242-V245 PolarHBondContact O-N 2.95Å; E243-V245 VanDerWaalsContact C-N 3.31Å; E243-V245 PolarHBondContact O-N 3.42Å; V245-E247 PolarHBondContact O-N 3.42Å; V245-V248 PolarHBondContact O-N 3.23Å; V245-V248 VanDerWaalsContact O-N 3.11Å; V245-V249 HydrophobicContact CG1-CB 4.38Å; V245-V249 HydrophobicContact CG1-CG2 3.97Å; V245-V249 PolarHBondContact O-N 2.89Å; V245-I256 HydrophobicContact CG2-CD1 3.83Å; V245-L271 HydrophobicContact CG2-CD1 4.44Å; V245-L271 HydrophobicContact CG2-CD2 4.33Å; V245-L275 HydrophobicContact CB-CD2 4.18Å; V245-L275 HydrophobicContact CG1-CD1 4.24Å; V245-L275 HydrophobicContact CG1-CD2 3.94Å
246T91.6Very high91.2Very high56 Ų5663 Ų6334%0.34438%0.382SS..Hα-helixtrans-69.5-16.7-179.8490000113.8S242 E243 V248 V249 L275 P276S242-T246 WeakPolarHBondContact O-CG2 3.32Å; S242-T246 PolarHBondContact O-N 3.48Å; S242-T246 PolarHBondContact O-OG1 3.39Å; S242-T246 VanDerWaalsContact O-OG1 3.08Å; E243-T246 WeakPolarHBondContact CA-OG1 3.46Å; E243-T246 PolarHBondContact O-N 2.93Å; E243-T246 PolarHBondContact O-OG1 2.82Å; T246-V248 PolarHBondContact O-N 2.93Å; T246-V249 VanDerWaalsContact O-O 3.12Å; T246-L275 HydrophobicContact CG2-CD2 3.76Å; T246-P276 HydrophobicContact CG2-CG 3.84Å
247E90Very high91.2Very high97 Ų9766.4 Ų66.445%0.45339%0.392SS..THydrogen-bonded Turntrans-67.4-27.3170.7-73175.1-143.500112.9R228 E243 V245R228-E247 IonicContact CZ-OE1 2.75Å; R228-E247 IonicContact CZ-OE2 3.9Å; R228-E247 IonicContact NE-OE1 3.04Å; R228-E247 IonicContact NH1-OE1 3.27Å; R228-E247 PolarHBondContact NH1-OE1 3.41Å; R228-E247 IonicContact NH1-OE2 3.88Å; R228-E247 PolarHBondContact NH1-OE2 2.93Å; R228-E247 IonicContact NH2-OE1 3.8Å; R228-E247 PolarHBondContact NH2-OE1 3.39Å; R228-E247 IonicContact NH2-OE2 3.43Å; R228-E247 PolarHBondContact NH2-OE2 3.48Å; E243-E247 PolarHBondContact O-N 3.37Å; V245-E247 PolarHBondContact O-N 3.42Å
248V92.8Very high91Very high60 Ų6068 Ų6836%0.36440%0.403SS..THydrogen-bonded Turntrans-102.9-42.9-177.1-1770000110.9V245 T246 A251 G252 C254V245-V248 PolarHBondContact O-N 3.23Å; V245-V248 VanDerWaalsContact O-N 3.11Å; T246-V248 PolarHBondContact O-N 2.93Å; V248-A251 PolarHBondContact O-N 3.25Å; V248-A251 VanDerWaalsContact O-N 3.12Å; V248-G252 PolarHBondContact O-N 3.25Å; V248-C254 HydrophobicContact CG1-CB 4.37Å
249V92.9Very high90.7Very high34 Ų3469.6 Ų69.621%0.20641%0.414CS..THydrogen-bonded Turntrans-93133.2-174.2-178.70000109.3V245 T246 L279V245-V249 HydrophobicContact CG1-CB 4.38Å; V245-V249 HydrophobicContact CG1-CG2 3.97Å; V245-V249 PolarHBondContact O-N 2.89Å; T246-V249 VanDerWaalsContact O-O 3.12Å; V249-L279 HydrophobicContact CG1-CD1 4.35Å; V249-L279 HydrophobicContact CG1-CD2 3.91Å
250P91.2Very high90.3Very high70 Ų7068.7 Ų68.746%0.45541%0.412SS..THydrogen-bonded Turncis-96.41.213.936.5-35.8000115.9G252 L279P250-G252 VanDerWaalsContact C-N 3.29Å; P250-G252 PolarHBondContact O-N 2.94Å; P250-L279 HydrophobicContact CB-CD2 4.17Å; P250-L279 HydrophobicContact CG-CD2 4.39Å
251A90.5Very high89.7Confident108 Ų10874.9 Ų74.989%0.89344%0.435SS*.THydrogen-bonded Turntrans-65.6-30.6-17500000113.4V248V248-A251 PolarHBondContact O-N 3.25Å; V248-A251 VanDerWaalsContact O-N 3.12Å
252G91.6Very high89.2Confident40 Ų4080.4 Ų80.441%0.41246%0.458SS..SBendtrans-141.2-173177.700000112.9V248 P250V248-G252 PolarHBondContact O-N 3.25Å; P250-G252 VanDerWaalsContact C-N 3.29Å; P250-G252 PolarHBondContact O-N 2.94Å
253S91.6Very high89Confident117 Ų11780.9 Ų80.982%0.81846%0.461SS*.  trans-111.7137.6177.655.90000110.8
254C92.6Very high89Confident48 Ų4879 Ų7932%0.32445%0.454SS..  trans-110.9149.1172.1610000111V248V248-C254 HydrophobicContact CG1-CB 4.37Å
255L92.5Very high88.8Confident152 Ų15279.3 Ų79.380%0.79645%0.454SS*.  trans-113.2128.5167.6-71.6175.1000108F257L255-F257 HydrophobicContact CB-CE2 4.25Å
256I92.2Very high88.6Confident70 Ų7083 Ų8336%0.35947%0.473SS..  trans-108.7114.1178.5-53.1175.9000107.6V245 V267 L271V245-I256 HydrophobicContact CG2-CD1 3.83Å; I256-V267 HydrophobicContact CD1-CG1 4.43Å; I256-V267 HydrophobicContact CG2-CG1 4.25Å; I256-L271 HydrophobicContact CD1-CD1 3.51Å
257F89.4Confident88.7Confident177 Ų17781.3 Ų81.378%0.77646%0.463SS*.  trans-87.1121.4175.3-68.6-83.1000109.3L255L255-F257 HydrophobicContact CB-CE2 4.25Å
258C87.1Confident88.9Confident35 Ų3577 Ų7724%0.23644%0.444CS..  trans-109.8143.3177.9-60.50000110T260 A264C258-T260 VanDerWaalsContact C-N 3.27Å; C258-T260 PolarHBondContact O-N 3.1Å; C258-A264 HydrophobicContact CB-CB 3.9Å
259P80.6Confident88.9Confident115 Ų11576 Ų7675%0.74744%0.437SS*.SBendtrans-69.6-23.8-173.626.4-34.9000113.3
260T79.6Confident88.9Confident82 Ų8276.1 Ų76.150%0.50344%0.436SS..SBendtrans-133.7155.4179.769.40000111.1C258 K262 S263 A264C258-T260 VanDerWaalsContact C-N 3.27Å; C258-T260 PolarHBondContact O-N 3.1Å; T260-K262 VanDerWaalsContact C-N 3.26Å; T260-K262 PolarHBondContact O-N 3.16Å; T260-S263 WeakPolarHBondContact O-CB 3.42Å; T260-S263 PolarHBondContact O-N 3.21Å; T260-S263 VanDerWaalsContact O-N 3.09Å; T260-S263 WeakPolarHBondContact OG1-CB 2.89Å; T260-S263 PolarHBondContact OG1-N 3.22Å; T260-S263 VanDerWaalsContact OG1-N 3.07Å; T260-A264 PolarHBondContact O-N 3.1Å
261R77.5Confident89.1Confident136 Ų13673 Ų7351%0.51342%0.415SS..Hα-helixtrans-55.3-43.4176.1-51.8-165.2164.5163.1-1.5112.1A264 E265 H318R261-A264 WeakPolarHBondContact O-CB 3.35Å; R261-A264 PolarHBondContact O-N 3.17Å; R261-E265 PolarHBondContact O-N 3.42Å; R261-H318 HydrophobicContact CB-CB 3.84Å; R261-H318 WeakPolarHBondContact CD-ND1 3.44Å; R261-H318 HydrophobicContact CG-CB 3.72Å
262K82.1Confident89.2Confident152 Ų15268.4 Ų68.466%0.66138%0.376SS*.Hα-helixtrans-67.7-36.4178.5-167172.3-175.1177.90111.9T260 E265 N266T260-K262 VanDerWaalsContact C-N 3.26Å; T260-K262 PolarHBondContact O-N 3.16Å; K262-E265 PolarHBondContact O-N 3.06Å; K262-N266 WeakPolarHBondContact O-CB 3.35Å; K262-N266 PolarHBondContact O-N 3.29Å; K262-N266 PolarHBondContact O-ND2 3.14Å
263S87.3Confident89.3Confident32 Ų3274 Ų7422%0.22439%0.389CS..Hα-helixtrans-64.1-41.7174174.80000111.6T260 E265 N266 V267T260-S263 WeakPolarHBondContact O-CB 3.42Å; T260-S263 PolarHBondContact O-N 3.21Å; T260-S263 VanDerWaalsContact O-N 3.09Å; T260-S263 WeakPolarHBondContact OG1-CB 2.89Å; T260-S263 PolarHBondContact OG1-N 3.22Å; T260-S263 VanDerWaalsContact OG1-N 3.07Å; S263-E265 VanDerWaalsContact C-N 3.34Å; S263-E265 PolarHBondContact O-N 3.3Å; S263-N266 PolarHBondContact O-N 2.99Å; S263-V267 WeakPolarHBondContact O-CB 3.23Å; S263-V267 VanDerWaalsContact O-CG2 3.26Å; S263-V267 WeakPolarHBondContact O-CG2 3.4Å; S263-V267 PolarHBondContact O-N 3.14Å
264A88.7Confident89.3Confident14 Ų1470 Ų7012%0.11636%0.359CS..Hα-helixtrans-57.9-45.2176.200000112.5C258 T260 R261 C268C258-A264 HydrophobicContact CB-CB 3.9Å; T260-A264 PolarHBondContact O-N 3.1Å; R261-A264 WeakPolarHBondContact O-CB 3.35Å; R261-A264 PolarHBondContact O-N 3.17Å; A264-C268 WeakPolarHBondContact O-CB 3.45Å; A264-C268 PolarHBondContact O-N 3.02Å; A264-C268 VanDerWaalsContact O-N 3.12Å
265E88.4Confident89.3Confident63 Ų6368.1 Ų68.129%0.29435%0.346SS..Hα-helixtrans-64.5-47.9176.3-173.3176162.700111.8R261 K262 S263 V267 C268 L269 V305 Y316R261-E265 PolarHBondContact O-N 3.42Å; K262-E265 PolarHBondContact O-N 3.06Å; S263-E265 VanDerWaalsContact C-N 3.34Å; S263-E265 PolarHBondContact O-N 3.3Å; E265-V267 PolarHBondContact O-N 3.43Å; E265-C268 WeakPolarHBondContact O-CB 3.38Å; E265-C268 PolarHBondContact O-N 2.94Å; E265-L269 PolarHBondContact O-N 3.39Å; E265-V305 HydrophobicContact CG-CB 4.39Å; E265-V305 HydrophobicContact CG-CG1 3.99Å; E265-V305 HydrophobicContact CG-CG2 4.06Å; E265-V305 WeakPolarHBondContact OE1-CG2 3.47Å; E265-Y316 HydrophobicContact CB-CD2 4.16Å; E265-Y316 HydrophobicContact CB-CE2 3.8Å; E265-Y316 HydrophobicContact CG-CE1 4.27Å; E265-Y316 HydrophobicContact CG-CE2 4.04Å
266N91.1Very high89.3Confident84 Ų8464 Ų6445%0.44933%0.328SS..Hα-helixtrans-63.3-42.3-179.2-73.2-11.8000112.5K262 S263 C268 L269 L270K262-N266 WeakPolarHBondContact O-CB 3.35Å; K262-N266 PolarHBondContact O-N 3.29Å; K262-N266 PolarHBondContact O-ND2 3.14Å; S263-N266 PolarHBondContact O-N 2.99Å; N266-C268 VanDerWaalsContact C-N 3.32Å; N266-L269 PolarHBondContact O-N 3.49Å; N266-L270 VanDerWaalsContact O-CB 3.28Å; N266-L270 WeakPolarHBondContact O-CB 3.47Å; N266-L270 PolarHBondContact O-N 3.38Å
267V93.1Very high89.2Confident22 Ų2264.3 Ų64.313%0.13334%0.337CS..Hα-helixtrans-64.3-40.4176.6168.30000110.3L241 I256 S263 E265 L269 L270 L271L241-V267 HydrophobicContact CD1-CG1 3.85Å; L241-V267 HydrophobicContact CD1-CG2 4.23Å; I256-V267 HydrophobicContact CD1-CG1 4.43Å; I256-V267 HydrophobicContact CG2-CG1 4.25Å; S263-V267 WeakPolarHBondContact O-CB 3.23Å; S263-V267 VanDerWaalsContact O-CG2 3.26Å; S263-V267 WeakPolarHBondContact O-CG2 3.4Å; S263-V267 PolarHBondContact O-N 3.14Å; E265-V267 PolarHBondContact O-N 3.43Å; V267-L269 PolarHBondContact O-N 3.12Å; V267-L270 WeakPolarHBondContact O-CB 3.49Å; V267-L270 PolarHBondContact O-N 3.18Å; V267-L271 HydrophobicContact CG1-CD1 4.13Å; V267-L271 WeakPolarHBondContact O-CG 3.36Å; V267-L271 PolarHBondContact O-N 3.5Å
268C93.4Very high89.3Confident7 Ų760.4 Ų60.45%0.04732%0.324CS..Hα-helixtrans-62-44.5176.4-155.10000111.6A264 E265 N266 T272 C309 Y316A264-C268 WeakPolarHBondContact O-CB 3.45Å; A264-C268 PolarHBondContact O-N 3.02Å; A264-C268 VanDerWaalsContact O-N 3.12Å; E265-C268 WeakPolarHBondContact O-CB 3.38Å; E265-C268 PolarHBondContact O-N 2.94Å; N266-C268 VanDerWaalsContact C-N 3.32Å; C268-T272 PolarHBondContact O-N 2.97Å; C268-C309 PolarHBondContact O-SG 2.64Å; C268-C309 PolarHBondContact SG-SG 2.87Å; C268-Y316 HydrophobicContact CB-CD1 4.16Å; C268-Y316 HydrophobicContact CB-CG 4.37Å
269L93.1Very high89.6Confident39 Ų3959.4 Ų59.420%0.20432%0.316CS..Hα-helixtrans-64.7-43.9174.2-78.7174.5000112.6E265 N266 V267 L271 T272 V305E265-L269 PolarHBondContact O-N 3.39Å; N266-L269 PolarHBondContact O-N 3.49Å; V267-L269 PolarHBondContact O-N 3.12Å; L269-L271 VanDerWaalsContact C-N 3.31Å; L269-L271 PolarHBondContact O-N 3.28Å; L269-T272 PolarHBondContact O-N 3.07Å; L269-T272 PolarHBondContact O-OG1 2.95Å; L269-V305 HydrophobicContact CD1-CG1 4.2Å; L269-V305 HydrophobicContact CD1-CG2 3.75Å; L269-V305 HydrophobicContact CD2-CB 4.04Å; L269-V305 HydrophobicContact CD2-CG1 3.61Å; L269-V305 HydrophobicContact CD2-CG2 3.94Å; L269-V305 HydrophobicContact CG-CB 4.25Å; L269-V305 HydrophobicContact CG-CG1 3.52Å; L269-V305 HydrophobicContact CG-CG2 3.98Å
270L93.9Very high90.1Very high36 Ų3656.6 Ų56.619%0.18830%0.295CS..Hα-helixtrans-52.9-52.2177.2166.761.1000110I236 D237 L241 N266 V267 T272 K273 V274I236-L270 HydrophobicContact CG2-CD1 3.52Å; I236-L270 WeakPolarHBondContact O-CD1 3.47Å; D237-L270 HydrophobicContact CB-CD1 4.41Å; L241-L270 HydrophobicContact CD1-CD2 4.24Å; N266-L270 VanDerWaalsContact O-CB 3.28Å; N266-L270 WeakPolarHBondContact O-CB 3.47Å; N266-L270 PolarHBondContact O-N 3.38Å; V267-L270 WeakPolarHBondContact O-CB 3.49Å; V267-L270 PolarHBondContact O-N 3.18Å; L270-T272 PolarHBondContact O-N 3.41Å; L270-K273 WeakPolarHBondContact O-CB 3.47Å; L270-K273 PolarHBondContact O-N 3.41Å; L270-V274 HydrophobicContact CD1-CG1 4.15Å; L270-V274 HydrophobicContact CD1-CG2 4.38Å; L270-V274 HydrophobicContact CG-CG2 4.43Å; L270-V274 WeakPolarHBondContact O-CG2 3.49Å; L270-V274 PolarHBondContact O-N 3.41Å
271L94.6Very high90.8Very high3 Ų359.8 Ų59.82%0.01630%0.302CS..Hα-helixtrans-60.1-28.9-177.8-72.5172.6000113.5L241 V245 I256 V267 L269 K273 V274 L275 L314L241-L271 HydrophobicContact CB-CD2 4.03Å; V245-L271 HydrophobicContact CG2-CD1 4.44Å; V245-L271 HydrophobicContact CG2-CD2 4.33Å; I256-L271 HydrophobicContact CD1-CD1 3.51Å; V267-L271 HydrophobicContact CG1-CD1 4.13Å; V267-L271 WeakPolarHBondContact O-CG 3.36Å; V267-L271 PolarHBondContact O-N 3.5Å; L269-L271 VanDerWaalsContact C-N 3.31Å; L269-L271 PolarHBondContact O-N 3.28Å; L271-K273 PolarHBondContact O-N 2.89Å; L271-V274 HydrophobicContact CD2-CG2 4.31Å; L271-V274 PolarHBondContact O-N 2.95Å; L271-L275 HydrophobicContact CB-CD1 3.98Å; L271-L275 HydrophobicContact CB-CG 4.25Å; L271-L275 HydrophobicContact CD2-CD1 4.35Å; L271-L275 HydrophobicContact CD2-CD2 4.37Å; L271-L275 HydrophobicContact CD2-CG 4.13Å; L271-L275 VanDerWaalsContact O-CB 3.23Å; L271-L275 WeakPolarHBondContact O-CB 3.38Å; L271-L275 VanDerWaalsContact O-CG 3.26Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 3.39Å; L271-L314 HydrophobicContact CB-CD1 3.58Å; L271-L314 HydrophobicContact CD1-CD2 4.29Å
272T93.6Very high91.6Very high13 Ų1356.9 Ų56.98%0.0829%0.294CS..Hα-helixtrans-65-23.1173.767.20000113.8C268 L269 L270 C309 Y312 L314C268-T272 PolarHBondContact O-N 2.97Å; L269-T272 PolarHBondContact O-N 3.07Å; L269-T272 PolarHBondContact O-OG1 2.95Å; L270-T272 PolarHBondContact O-N 3.41Å; T272-C309 HydrophobicContact CG2-CB 4.15Å; T272-C309 VanDerWaalsContact CG2-SG 3.57Å; T272-Y312 HydrophobicContact CG2-CD2 4.14Å; T272-Y312 PolarHBondContact O-OH 3.38Å; T272-L314 HydrophobicContact CG2-CD1 4.03Å
273K92.7Very high92.1Very high156 Ų15655.1 Ų55.168%0.67829%0.286SS*.Hα-helixtrans-92.4-27.5-177.8-60.3177-178.7176.70112.9L270 L271L270-K273 WeakPolarHBondContact O-CB 3.47Å; L270-K273 PolarHBondContact O-N 3.41Å; L271-K273 PolarHBondContact O-N 2.89Å
274V91.8Very high92.4Very high33 Ų3360.4 Ų60.420%0.231%0.305CS..Hα-helixtrans-110-21.8-170.8-62.80000114I236 D237 L270 L271I236-V274 HydrophobicContact CB-CG1 4.28Å; I236-V274 HydrophobicContact CG2-CG1 3.88Å; D237-V274 HydrophobicContact CB-CB 4.37Å; D237-V274 HydrophobicContact CB-CG1 4Å; D237-V274 HydrophobicContact CB-CG2 4.26Å; L270-V274 HydrophobicContact CD1-CG1 4.15Å; L270-V274 HydrophobicContact CD1-CG2 4.38Å; L270-V274 HydrophobicContact CG-CG2 4.43Å; L270-V274 WeakPolarHBondContact O-CG2 3.49Å; L270-V274 PolarHBondContact O-N 3.41Å; L271-V274 HydrophobicContact CD2-CG2 4.31Å; L271-V274 PolarHBondContact O-N 2.95Å
275L92.9Very high92.6Very high9 Ų966.2 Ų66.25%0.04733%0.33CS..SBendtrans-72151176.5-73.1176.8000112.4V245 T246 L271 S277 L279 Y312 L314V245-L275 HydrophobicContact CB-CD2 4.18Å; V245-L275 HydrophobicContact CG1-CD1 4.24Å; V245-L275 HydrophobicContact CG1-CD2 3.94Å; T246-L275 HydrophobicContact CG2-CD2 3.76Å; L271-L275 HydrophobicContact CB-CD1 3.98Å; L271-L275 HydrophobicContact CB-CG 4.25Å; L271-L275 HydrophobicContact CD2-CD1 4.35Å; L271-L275 HydrophobicContact CD2-CD2 4.37Å; L271-L275 HydrophobicContact CD2-CG 4.13Å; L271-L275 VanDerWaalsContact O-CB 3.23Å; L271-L275 WeakPolarHBondContact O-CB 3.38Å; L271-L275 VanDerWaalsContact O-CG 3.26Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 3.39Å; L275-S277 PolarHBondContact O-N 3.3Å; L275-L279 HydrophobicContact CB-CD1 4.03Å; L275-L279 HydrophobicContact CD1-CD1 4.15Å; L275-L279 HydrophobicContact CD2-CD1 4.48Å; L275-L279 HydrophobicContact CG-CD1 4.48Å; L275-Y312 HydrophobicContact CB-CD1 4.43Å; L275-L314 HydrophobicContact CD1-CD1 4.02Å; L275-L314 HydrophobicContact CD1-CD2 4.08Å; L275-L314 HydrophobicContact CD1-CG 4.41Å
276P91.4Very high92.9Very high65 Ų6568.7 Ų68.742%0.42234%0.342SS..  trans-56.5134.7179.4-24.633.2000113.1T246 D278 L279T246-P276 HydrophobicContact CG2-CG 3.84Å; P276-D278 PolarHBondContact O-N 3.02Å; P276-L279 WeakPolarHBondContact O-CB 3.33Å; P276-L279 PolarHBondContact O-N 3.44Å; P276-L279 VanDerWaalsContact O-N 3.12Å
277S91.3Very high93Very high77 Ų7766.1 Ų66.154%0.53833%0.326SS..G310 helixtrans-64.7-21.2-179.758.20000113.4L275 L279 L280L275-S277 PolarHBondContact O-N 3.3Å; S277-L279 PolarHBondContact O-N 3.47Å; S277-L280 WeakPolarHBondContact O-CB 3.4Å; S277-L280 WeakPolarHBondContact O-CG 3.5Å; S277-L280 PolarHBondContact O-N 2.67Å
278D91.7Very high92.9Very high96 Ų9670.9 Ų70.951%0.51335%0.345SS..G310 helixtrans-61.8-23.3174.2-74.3-35.9000113.2P276 L280 K281 H282P276-D278 PolarHBondContact O-N 3.02Å; D278-L280 PolarHBondContact O-N 3.36Å; D278-K281 WeakPolarHBondContact O-CB 3.46Å; D278-K281 PolarHBondContact O-N 3.2Å; D278-K281 IonicContact OD1-NZ 3.59Å; D278-K281 PolarHBondContact OD1-NZ 3.32Å; D278-H282 PolarHBondContact O-N 3.36Å
279L92.2Very high92.8Very high13 Ų1374.3 Ų74.37%0.06837%0.366CS..G310 helixtrans-62.4-23.8172.8-68177.4000112.7V249 P250 L275 P276 S277 K281 H282 K287V249-L279 HydrophobicContact CG1-CD1 4.35Å; V249-L279 HydrophobicContact CG1-CD2 3.91Å; P250-L279 HydrophobicContact CB-CD2 4.17Å; P250-L279 HydrophobicContact CG-CD2 4.39Å; L275-L279 HydrophobicContact CB-CD1 4.03Å; L275-L279 HydrophobicContact CD1-CD1 4.15Å; L275-L279 HydrophobicContact CD2-CD1 4.48Å; L275-L279 HydrophobicContact CG-CD1 4.48Å; P276-L279 WeakPolarHBondContact O-CB 3.33Å; P276-L279 PolarHBondContact O-N 3.44Å; P276-L279 VanDerWaalsContact O-N 3.12Å; S277-L279 PolarHBondContact O-N 3.47Å; L279-K281 PolarHBondContact O-N 3.39Å; L279-H282 PolarHBondContact O-N 2.99Å; L279-K287 PolarHBondContact O-NZ 3.27Å
280L92.8Very high92.6Very high57 Ų5777.5 Ų77.530%0.29838%0.378SS..G310 helixtrans-66.5-27.4173-66.6167.4000112.5S277 D278 K284 P311 Y312S277-L280 WeakPolarHBondContact O-CB 3.4Å; S277-L280 WeakPolarHBondContact O-CG 3.5Å; S277-L280 PolarHBondContact O-N 2.67Å; D278-L280 PolarHBondContact O-N 3.36Å; L280-K284 WeakPolarHBondContact O-CB 3.11Å; L280-P311 HydrophobicContact CD2-CB 3.8Å; L280-Y312 HydrophobicContact CD1-CE1 4.38Å; L280-Y312 HydrophobicContact CD1-CE2 4.29Å; L280-Y312 HydrophobicContact CD2-CD1 4.34Å; L280-Y312 HydrophobicContact CD2-CD2 3.71Å; L280-Y312 HydrophobicContact CD2-CE1 4.3Å; L280-Y312 HydrophobicContact CD2-CE2 3.64Å; L280-Y312 HydrophobicContact CD2-CG 4.06Å; L280-Y312 HydrophobicContact CG-CD1 4.36Å; L280-Y312 HydrophobicContact CG-CD2 4.48Å; L280-Y312 HydrophobicContact CG-CE1 4.05Å; L280-Y312 HydrophobicContact CG-CE2 4.16Å
281K93.8Very high92.3Very high148 Ų14877 Ų7764%0.64338%0.376SS*.THydrogen-bonded Turntrans-80.1-35.6177.9-59.3171.6-174.6159.20110.7D278 L279 K283 K284D278-K281 WeakPolarHBondContact O-CB 3.46Å; D278-K281 PolarHBondContact O-N 3.2Å; D278-K281 IonicContact OD1-NZ 3.59Å; D278-K281 PolarHBondContact OD1-NZ 3.32Å; L279-K281 PolarHBondContact O-N 3.39Å; K281-K283 PolarHBondContact O-N 3.12Å; K281-K284 WeakPolarHBondContact O-CB 3.18Å; K281-K284 PolarHBondContact O-N 3.24Å
282H92.9Very high91.9Very high75 Ų7581.1 Ų81.135%0.34740%0.398SS..THydrogen-bonded Turntrans-60.9123.2-179.9-173.974.9000111.4D278 L279 K284 K287D278-H282 PolarHBondContact O-N 3.36Å; L279-H282 PolarHBondContact O-N 2.99Å; H282-K284 PolarHBondContact O-N 3.02Å; H282-K287 WeakPolarHBondContact O-CE 3.49Å; H282-K287 PolarHBondContact O-NZ 3.46Å; H282-K287 VanDerWaalsContact O-NZ 3.16Å
283K93Very high91.3Very high115 Ų11587.9 Ų87.950%0.542%0.422SS..THydrogen-bonded Turntrans50.630.5179.7-69.7179.9165.4-166.60114.3K281 Q285 E286 K287K281-K283 PolarHBondContact O-N 3.12Å; K283-Q285 VanDerWaalsContact C-N 3.27Å; K283-Q285 PolarHBondContact O-N 3.22Å; K283-Q285 VanDerWaalsContact O-N 3.14Å; K283-E286 HydrophobicContact CB-CB 4.33Å; K283-E286 WeakPolarHBondContact CD-OE2 3.49Å; K283-E286 WeakPolarHBondContact CE-OE2 3.25Å; K283-E286 VanDerWaalsContact CG-OE2 3.28Å; K283-E286 WeakPolarHBondContact CG-OE2 3.09Å; K283-E286 IonicContact NZ-OE2 2.84Å; K283-E286 PolarHBondContact O-N 3.15Å; K283-E286 VanDerWaalsContact O-N 3.07Å; K283-K287 WeakPolarHBondContact O-CG 3.34Å; K283-K287 PolarHBondContact O-N 2.92Å
284K94.3Very high90.5Very high143 Ų14382 Ų8262%0.62240%0.398SS*.Hα-helixtrans-50.5-44.1-173.8-175176.3-179.1178.60113.3L280 K281 H282 K288L280-K284 WeakPolarHBondContact O-CB 3.11Å; K281-K284 WeakPolarHBondContact O-CB 3.18Å; K281-K284 PolarHBondContact O-N 3.24Å; H282-K284 PolarHBondContact O-N 3.02Å; K284-K288 WeakPolarHBondContact O-CB 3.25Å; K284-K288 PolarHBondContact O-N 3.23Å
285Q92.9Very high89.9Confident136 Ų13682.7 Ų82.764%0.63640%0.4SS*.Hα-helixtrans-69-40.2-178.1-169.461.718.100112.5K283 K288 T289K283-Q285 VanDerWaalsContact C-N 3.27Å; K283-Q285 PolarHBondContact O-N 3.22Å; K283-Q285 VanDerWaalsContact O-N 3.14Å; Q285-K288 PolarHBondContact O-N 3.13Å; Q285-T289 WeakPolarHBondContact O-CB 3.3Å; Q285-T289 PolarHBondContact O-N 3.3Å; Q285-T289 PolarHBondContact O-OG1 2.89Å
286E93.7Very high88.9Confident116 Ų11687.6 Ų87.654%0.54242%0.422SS..Hα-helixtrans-65.4-46.2176.2-66.2159.1-150.100110.7K283 K288 T289 F290K283-E286 HydrophobicContact CB-CB 4.33Å; K283-E286 WeakPolarHBondContact CD-OE2 3.49Å; K283-E286 WeakPolarHBondContact CE-OE2 3.25Å; K283-E286 VanDerWaalsContact CG-OE2 3.28Å; K283-E286 WeakPolarHBondContact CG-OE2 3.09Å; K283-E286 IonicContact NZ-OE2 2.84Å; K283-E286 PolarHBondContact O-N 3.15Å; K283-E286 VanDerWaalsContact O-N 3.07Å; E286-K288 PolarHBondContact O-N 3.43Å; E286-T289 PolarHBondContact O-N 3.39Å; E286-F290 WeakPolarHBondContact O-CB 3.47Å; E286-F290 PolarHBondContact O-N 3.23Å
287K93.6Very high87.7Confident29 Ų2989.4 Ų89.413%0.12643%0.425CS..Hα-helixtrans-61.1-42.3176-65.5-178.3-166.1177.90112.1L279 H282 K283 F290 L291 P311 Y312L279-K287 PolarHBondContact O-NZ 3.27Å; H282-K287 WeakPolarHBondContact O-CE 3.49Å; H282-K287 PolarHBondContact O-NZ 3.46Å; H282-K287 VanDerWaalsContact O-NZ 3.16Å; K283-K287 WeakPolarHBondContact O-CG 3.34Å; K283-K287 PolarHBondContact O-N 2.92Å; K287-F290 PolarHBondContact O-N 3.27Å; K287-L291 WeakPolarHBondContact O-CB 3.34Å; K287-L291 PolarHBondContact O-N 3Å; K287-P311 VanDerWaalsContact CD-O 3.22Å; K287-P311 WeakPolarHBondContact CD-O 3.43Å; K287-P311 PolarHBondContact NZ-O 2.72Å; K287-Y312 PolarHBondContact NZ-O 3Å; K287-Y312 VanDerWaalsContact NZ-O 3.1Å
288K91.3Very high86.3Confident123 Ų12388.3 Ų88.354%0.53542%0.417SS..Hα-helixtrans-63.5-42.6175.6-173.6177.2-179.9-179.20111.3K284 Q285 E286 L291 N292K284-K288 WeakPolarHBondContact O-CB 3.25Å; K284-K288 PolarHBondContact O-N 3.23Å; Q285-K288 PolarHBondContact O-N 3.13Å; E286-K288 PolarHBondContact O-N 3.43Å; K288-L291 PolarHBondContact O-N 3.07Å; K288-N292 WeakPolarHBondContact O-CB 3.38Å; K288-N292 PolarHBondContact O-N 3.14Å; K288-N292 PolarHBondContact O-ND2 3.47Å
289T91.5Very high84.9Confident78 Ų7886.5 Ų86.548%0.47941%0.407SS..Hα-helixtrans-63.9-44.1176.7-55.10000111.1Q285 E286 N292 R293Q285-T289 WeakPolarHBondContact O-CB 3.3Å; Q285-T289 PolarHBondContact O-N 3.3Å; Q285-T289 PolarHBondContact O-OG1 2.89Å; E286-T289 PolarHBondContact O-N 3.39Å; T289-N292 PolarHBondContact O-N 3.16Å; T289-R293 VanDerWaalsContact O-CB 3.31Å; T289-R293 WeakPolarHBondContact O-CB 3.34Å; T289-R293 PolarHBondContact O-N 3.15Å
290F88.4Confident83.7Confident107 Ų10787 Ų8747%0.46942%0.416SS..Hα-helixtrans-62.3-47.1174.6173.6-100.2000112E286 K287 N292 R293 L294 V310E286-F290 WeakPolarHBondContact O-CB 3.47Å; E286-F290 PolarHBondContact O-N 3.23Å; K287-F290 PolarHBondContact O-N 3.27Å; F290-N292 PolarHBondContact O-N 3.21Å; F290-R293 CarbonylContact O-C 3.27Å; F290-R293 PolarHBondContact O-N 3.36Å; F290-L294 HydrophobicContact CZ-CD1 4.11Å; F290-L294 WeakPolarHBondContact O-CB 3.38Å; F290-L294 PolarHBondContact O-N 3.29Å; F290-V310 HydrophobicContact CD1-CG1 3.72Å; F290-V310 HydrophobicContact CE1-CG1 4.12Å; F290-V310 HydrophobicContact CE1-CG2 4.23Å
291L87.1Confident82.2Confident26 Ų2689.2 Ų89.214%0.13642%0.42CS..Hα-helixtrans-61.5-44.8177.9-178.256.5000111.4K287 K288 R293 L294 I295 V310 P311K287-L291 WeakPolarHBondContact O-CB 3.34Å; K287-L291 PolarHBondContact O-N 3Å; K288-L291 PolarHBondContact O-N 3.07Å; L291-R293 VanDerWaalsContact C-N 3.3Å; L291-R293 PolarHBondContact O-N 3.1Å; L291-L294 PolarHBondContact O-N 3.32Å; L291-I295 HydrophobicContact CD1-CD1 4.01Å; L291-I295 HydrophobicContact CD1-CG1 4.16Å; L291-I295 HydrophobicContact CG-CD1 3.87Å; L291-I295 HydrophobicContact CG-CG1 4.43Å; L291-I295 WeakPolarHBondContact O-CB 3.27Å; L291-I295 WeakPolarHBondContact O-CG1 3.49Å; L291-I295 PolarHBondContact O-N 3.13Å; L291-V310 HydrophobicContact CB-CG1 3.76Å; L291-V310 HydrophobicContact CD1-CB 4.07Å; L291-V310 HydrophobicContact CD1-CG1 4.15Å; L291-V310 HydrophobicContact CD1-CG2 4.32Å; L291-V310 HydrophobicContact CG-CG1 4.36Å; L291-P311 HydrophobicContact CD2-CG 4.33Å
292N87.6Confident81Confident89 Ų8982.7 Ų82.748%0.47639%0.393SS..Hα-helixtrans-61.4-41.7176.3-73.4-13.2000111.3K288 T289 F290 I295 Q296K288-N292 WeakPolarHBondContact O-CB 3.38Å; K288-N292 PolarHBondContact O-N 3.14Å; K288-N292 PolarHBondContact O-ND2 3.47Å; T289-N292 PolarHBondContact O-N 3.16Å; F290-N292 PolarHBondContact O-N 3.21Å; N292-I295 PolarHBondContact O-N 3.46Å; N292-Q296 VanDerWaalsContact O-CB 3.26Å; N292-Q296 WeakPolarHBondContact O-CB 3.23Å; N292-Q296 PolarHBondContact O-N 3.45Å
293R79.8Confident80Confident155 Ų15581.6 Ų81.659%0.58539%0.393SS*.Hα-helixtrans-66.2-41175.8-174175.1179.3161.81.7112T289 F290 L291 Q296 E297T289-R293 VanDerWaalsContact O-CB 3.31Å; T289-R293 WeakPolarHBondContact O-CB 3.34Å; T289-R293 PolarHBondContact O-N 3.15Å; F290-R293 CarbonylContact O-C 3.27Å; F290-R293 PolarHBondContact O-N 3.36Å; L291-R293 VanDerWaalsContact C-N 3.3Å; L291-R293 PolarHBondContact O-N 3.1Å; R293-Q296 CarbonylContact O-C 3.58Å; R293-Q296 WeakPolarHBondContact O-CB 3.24Å; R293-Q296 PolarHBondContact O-N 3Å; R293-E297 HydrophobicContact CG-CG 4.29Å; R293-E297 WeakPolarHBondContact CG-OE1 3.39Å; R293-E297 IonicContact CZ-OE1 3.82Å; R293-E297 IonicContact NE-OE1 2.98Å; R293-E297 PolarHBondContact NE-OE1 3.36Å; R293-E297 IonicContact NH2-OE1 3.8Å; R293-E297 WeakPolarHBondContact O-CB 3.48Å; R293-E297 VanDerWaalsContact O-CG 3.3Å; R293-E297 WeakPolarHBondContact O-CG 3.18Å; R293-E297 PolarHBondContact O-N 3.21Å
294L77.4Confident79.3Confident33 Ų3381.6 Ų81.617%0.17340%0.399CS..Hα-helixtrans-62.9-46.7175.5-169.385.6000110.6F290 L291 Q296 E297 C298 V302 Q306F290-L294 HydrophobicContact CZ-CD1 4.11Å; F290-L294 WeakPolarHBondContact O-CB 3.38Å; F290-L294 PolarHBondContact O-N 3.29Å; L291-L294 PolarHBondContact O-N 3.32Å; L294-Q296 VanDerWaalsContact C-N 3.29Å; L294-Q296 PolarHBondContact O-N 3.09Å; L294-E297 PolarHBondContact O-N 3.34Å; L294-C298 VanDerWaalsContact O-CB 3.23Å; L294-C298 WeakPolarHBondContact O-CB 3.26Å; L294-C298 PolarHBondContact O-N 3.11Å; L294-C298 PolarHBondContact O-SG 2.86Å; L294-C298 VanDerWaalsContact O-SG 3.32Å; L294-V302 HydrophobicContact CD2-CG1 3.85Å; L294-V302 HydrophobicContact CD2-CG2 3.89Å; L294-V302 HydrophobicContact CG-CG2 3.97Å; L294-Q306 HydrophobicContact CD2-CG 3.94Å
295I77.5Confident78.7Confident47 Ų4775.5 Ų75.524%0.24137%0.374CS..Hα-helixtrans-57.5-44.9172.7-71.8171.4000109.5L291 N292 C298 D299 G300 V302L291-I295 HydrophobicContact CD1-CD1 4.01Å; L291-I295 HydrophobicContact CD1-CG1 4.16Å; L291-I295 HydrophobicContact CG-CD1 3.87Å; L291-I295 HydrophobicContact CG-CG1 4.43Å; L291-I295 WeakPolarHBondContact O-CB 3.27Å; L291-I295 WeakPolarHBondContact O-CG1 3.49Å; L291-I295 PolarHBondContact O-N 3.13Å; N292-I295 PolarHBondContact O-N 3.46Å; I295-C298 CarbonylContact O-C 3.58Å; I295-C298 PolarHBondContact O-N 3.5Å; I295-D299 CarbonylContact O-C 3.26Å; I295-D299 WeakPolarHBondContact O-CA 3.46Å; I295-D299 PolarHBondContact O-N 2.92Å; I295-G300 PolarHBondContact O-N 3.47Å; I295-V302 HydrophobicContact CB-CG2 4.41Å; I295-V302 HydrophobicContact CG1-CB 4.23Å; I295-V302 HydrophobicContact CG1-CG2 3.85Å
296Q71.7Confident78.1Confident111 Ų11170.2 Ų70.252%0.51935%0.349SS..Hα-helixtrans-67.2-41.4179-170.2179.522.500112.9N292 R293 L294 C298 D299 W525N292-Q296 VanDerWaalsContact O-CB 3.26Å; N292-Q296 WeakPolarHBondContact O-CB 3.23Å; N292-Q296 PolarHBondContact O-N 3.45Å; R293-Q296 CarbonylContact O-C 3.58Å; R293-Q296 WeakPolarHBondContact O-CB 3.24Å; R293-Q296 PolarHBondContact O-N 3Å; L294-Q296 VanDerWaalsContact C-N 3.29Å; L294-Q296 PolarHBondContact O-N 3.09Å; Q296-C298 VanDerWaalsContact C-N 3.29Å; Q296-C298 PolarHBondContact O-N 2.85Å; Q296-D299 PolarHBondContact O-N 3.39Å; Q296-W525 HydrophobicContact CG-CZ3 4.35Å; Q296-W525 VanDerWaalsContact NE2-CZ3 3.28Å
297E67.8Low77.8Confident103 Ų10369.6 Ų69.648%0.48134%0.342SS..Hα-helixtrans-70.6-27.9178.6-74.1176.6-177.600111.7R293 L294R293-E297 HydrophobicContact CG-CG 4.29Å; R293-E297 WeakPolarHBondContact CG-OE1 3.39Å; R293-E297 IonicContact CZ-OE1 3.82Å; R293-E297 IonicContact NE-OE1 2.98Å; R293-E297 PolarHBondContact NE-OE1 3.36Å; R293-E297 IonicContact NH2-OE1 3.8Å; R293-E297 WeakPolarHBondContact O-CB 3.48Å; R293-E297 VanDerWaalsContact O-CG 3.3Å; R293-E297 WeakPolarHBondContact O-CG 3.18Å; R293-E297 PolarHBondContact O-N 3.21Å; L294-E297 PolarHBondContact O-N 3.34Å
298C62.1Low77.5Confident55 Ų5573.3 Ų73.337%0.37236%0.359SS..THydrogen-bonded Turntrans-102.113.8176.8-58.50000114.5L294 I295 Q296 G300 R301 V302L294-C298 VanDerWaalsContact O-CB 3.23Å; L294-C298 WeakPolarHBondContact O-CB 3.26Å; L294-C298 PolarHBondContact O-N 3.11Å; L294-C298 PolarHBondContact O-SG 2.86Å; L294-C298 VanDerWaalsContact O-SG 3.32Å; I295-C298 CarbonylContact O-C 3.58Å; I295-C298 PolarHBondContact O-N 3.5Å; Q296-C298 VanDerWaalsContact C-N 3.29Å; Q296-C298 PolarHBondContact O-N 2.85Å; C298-G300 VanDerWaalsContact C-N 3.31Å; C298-G300 PolarHBondContact O-N 2.93Å; C298-R301 VanDerWaalsContact O-CB 3.29Å; C298-R301 WeakPolarHBondContact O-CB 3.47Å; C298-R301 PolarHBondContact O-N 3.31Å; C298-V302 HydrophobicContact CB-CG2 3.83Å
299D61.5Low77.6Confident57 Ų5767.5 Ų67.531%0.30533%0.334SS..THydrogen-bonded Turntrans50.138.8-176.5-56.1-30.4000116.5I295 Q296 R301 S534I295-D299 CarbonylContact O-C 3.26Å; I295-D299 WeakPolarHBondContact O-CA 3.46Å; I295-D299 PolarHBondContact O-N 2.92Å; Q296-D299 PolarHBondContact O-N 3.39Å; D299-R301 PolarHBondContact O-N 3.49Å; D299-R301 VanDerWaalsContact O-N 3.13Å; D299-R301 IonicContact OD2-CZ 3.28Å; D299-R301 IonicContact OD2-NH2 3.31Å; D299-R301 PolarHBondContact OD2-NH2 3.24Å; D299-S534 WeakPolarHBondContact OD1-CA 3.37Å; D299-S534 WeakPolarHBondContact OD1-CB 3.33Å; D299-S534 PolarHBondContact OD1-N 2.9Å; D299-S534 WeakPolarHBondContact OD2-CA 3.4Å; D299-S534 WeakPolarHBondContact OD2-CB 3.47Å; D299-S534 PolarHBondContact OD2-N 2.93Å
300G67.4Low77.6Confident25 Ų2564 Ų6426%0.25831%0.313SS..THydrogen-bonded Turntrans71.91.4-175.200000114.1I295 C298 V302 R307I295-G300 PolarHBondContact O-N 3.47Å; C298-G300 VanDerWaalsContact C-N 3.31Å; C298-G300 PolarHBondContact O-N 2.93Å; G300-V302 PolarHBondContact O-N 3.5Å; G300-R307 PolarHBondContact O-NH2 3.18Å
301R60.2Low77.9Confident102 Ų10261.2 Ų61.239%0.38531%0.305SS..  trans-82.817177.9-65.1179.9-99.7178.5-8.4114.2C298 D299 C303 P454C298-R301 VanDerWaalsContact O-CB 3.29Å; C298-R301 WeakPolarHBondContact O-CB 3.47Å; C298-R301 PolarHBondContact O-N 3.31Å; D299-R301 PolarHBondContact O-N 3.49Å; D299-R301 VanDerWaalsContact O-N 3.13Å; D299-R301 IonicContact OD2-CZ 3.28Å; D299-R301 IonicContact OD2-NH2 3.31Å; D299-R301 PolarHBondContact OD2-NH2 3.24Å; R301-C303 PolarHBondContact O-N 3.06Å; R301-P454 PolarHBondContact NH1-O 2.7Å; R301-P454 PolarHBondContact NH2-O 3.31Å
302V68.5Low78.2Confident11 Ų1162.3 Ų62.37%0.06731%0.308CS..  trans-61.3120.8169.1-179.60000108.2L294 I295 C298 G300 Q306 R307L294-V302 HydrophobicContact CD2-CG1 3.85Å; L294-V302 HydrophobicContact CD2-CG2 3.89Å; L294-V302 HydrophobicContact CG-CG2 3.97Å; I295-V302 HydrophobicContact CB-CG2 4.41Å; I295-V302 HydrophobicContact CG1-CB 4.23Å; I295-V302 HydrophobicContact CG1-CG2 3.85Å; C298-V302 HydrophobicContact CB-CG2 3.83Å; G300-V302 PolarHBondContact O-N 3.5Å; V302-Q306 HydrophobicContact CG1-CB 3.62Å; V302-Q306 HydrophobicContact CG1-CG 3.82Å; V302-R307 HydrophobicContact CB-CG 4.18Å; V302-R307 HydrophobicContact CG1-CG 3.82Å; V302-R307 PolarHBondContact O-NE 3.07Å
303C72Confident78.4Confident53 Ų5360.5 Ų60.536%0.35831%0.311SS..  trans-56.4150.8-178.871.70000110.6R301 V305 Q306 R307 Y316R301-C303 PolarHBondContact O-N 3.06Å; C303-V305 PolarHBondContact O-N 3.37Å; C303-V305 VanDerWaalsContact O-N 3.14Å; C303-Q306 PolarHBondContact O-N 3.23Å; C303-Q306 VanDerWaalsContact O-N 3.1Å; C303-Q306 VanDerWaalsContact SG-CB 3.53Å; C303-Q306 PolarHBondContact SG-N 2.89Å; C303-R307 PolarHBondContact O-N 3.24Å; C303-R307 VanDerWaalsContact O-N 3.08Å; C303-Y316 PolarHBondContact SG-OH 2.99Å; C303-Y316 VanDerWaalsContact SG-OH 3.4Å
304N78.9Confident79.1Confident114 Ų11454.3 Ų54.361%0.6129%0.289SS*.Hα-helixtrans-57.2-33-178.3-78-14.6000112.2R307 Q308N304-R307 PolarHBondContact O-N 3.13Å; N304-Q308 VanDerWaalsContact O-CG 3.31Å; N304-Q308 WeakPolarHBondContact O-CG 2.81Å; N304-Q308 PolarHBondContact O-N 3.49Å; N304-Q308 VanDerWaalsContact O-N 3.12Å
305V80.9Confident79.7Confident16 Ų1656 Ų5610%0.09731%0.308CS..Hα-helixtrans-58.4-56.9174.2177.20000111.1E265 L269 C303 R307 Q308 C309 Y316E265-V305 HydrophobicContact CG-CB 4.39Å; E265-V305 HydrophobicContact CG-CG1 3.99Å; E265-V305 HydrophobicContact CG-CG2 4.06Å; E265-V305 WeakPolarHBondContact OE1-CG2 3.47Å; L269-V305 HydrophobicContact CD1-CG1 4.2Å; L269-V305 HydrophobicContact CD1-CG2 3.75Å; L269-V305 HydrophobicContact CD2-CB 4.04Å; L269-V305 HydrophobicContact CD2-CG1 3.61Å; L269-V305 HydrophobicContact CD2-CG2 3.94Å; L269-V305 HydrophobicContact CG-CB 4.25Å; L269-V305 HydrophobicContact CG-CG1 3.52Å; L269-V305 HydrophobicContact CG-CG2 3.98Å; C303-V305 PolarHBondContact O-N 3.37Å; C303-V305 VanDerWaalsContact O-N 3.14Å; V305-R307 PolarHBondContact O-N 3.25Å; V305-Q308 WeakPolarHBondContact O-CA 3.34Å; V305-Q308 WeakPolarHBondContact O-CB 3.18Å; V305-Q308 PolarHBondContact O-N 3.02Å; V305-C309 PolarHBondContact O-N 3.47Å; V305-C309 PolarHBondContact O-SG 2.95Å; V305-Y316 HydrophobicContact CB-CE1 4.21Å; V305-Y316 HydrophobicContact CG1-CD1 4.25Å; V305-Y316 HydrophobicContact CG1-CE1 3.69Å
306Q81.4Confident80.1Confident25 Ų2556.3 Ų56.312%0.11731%0.306CS..Hα-helixtrans-61-34.4-178.4-165.573.511.600111.8L294 V302 C303 Q308 C309 V310 Y316L294-Q306 HydrophobicContact CD2-CG 3.94Å; V302-Q306 HydrophobicContact CG1-CB 3.62Å; V302-Q306 HydrophobicContact CG1-CG 3.82Å; C303-Q306 PolarHBondContact O-N 3.23Å; C303-Q306 VanDerWaalsContact O-N 3.1Å; C303-Q306 VanDerWaalsContact SG-CB 3.53Å; C303-Q306 PolarHBondContact SG-N 2.89Å; Q306-Q308 VanDerWaalsContact C-N 3.31Å; Q306-Q308 PolarHBondContact O-N 2.87Å; Q306-C309 PolarHBondContact O-N 3.33Å; Q306-V310 HydrophobicContact CG-CG2 4.08Å; Q306-V310 VanDerWaalsContact O-CG2 3.22Å; Q306-V310 WeakPolarHBondContact O-CG2 3.47Å; Q306-V310 PolarHBondContact O-N 3.04Å; Q306-Y316 VanDerWaalsContact OE1-CD1 3.22Å
307R86.7Confident80.3Confident103 Ų10358.4 Ų58.439%0.38932%0.316SS..Hα-helixtrans-63.3-35173.8-66.7-179.3-178.3-158.5-2.5113.1G300 V302 C303 N304 V305 P311G300-R307 PolarHBondContact O-NH2 3.18Å; V302-R307 HydrophobicContact CB-CG 4.18Å; V302-R307 HydrophobicContact CG1-CG 3.82Å; V302-R307 PolarHBondContact O-NE 3.07Å; C303-R307 PolarHBondContact O-N 3.24Å; C303-R307 VanDerWaalsContact O-N 3.08Å; N304-R307 PolarHBondContact O-N 3.13Å; V305-R307 PolarHBondContact O-N 3.25Å; R307-P311 WeakPolarHBondContact O-CD 3.49Å; R307-P311 WeakPolarHBondContact O-CG 3.33Å
308Q88.8Confident80.3Confident107 Ų10757.4 Ų57.450%0.531%0.311SS..Hα-helixtrans-78.5-35177.2-68.8172.610.800111.9N304 V305 Q306 P311N304-Q308 VanDerWaalsContact O-CG 3.31Å; N304-Q308 WeakPolarHBondContact O-CG 2.81Å; N304-Q308 PolarHBondContact O-N 3.49Å; N304-Q308 VanDerWaalsContact O-N 3.12Å; V305-Q308 WeakPolarHBondContact O-CA 3.34Å; V305-Q308 WeakPolarHBondContact O-CB 3.18Å; V305-Q308 PolarHBondContact O-N 3.02Å; Q306-Q308 VanDerWaalsContact C-N 3.31Å; Q306-Q308 PolarHBondContact O-N 2.87Å; Q308-P311 WeakPolarHBondContact O-CD 3.49Å
309C91.8Very high79.9Confident0 Ų057.9 Ų57.90%032%0.315CS..Hα-helixtrans-77.6-42.2-175.5-64.50000113.8C268 T272 V305 Q306 Y312 G313 L314C268-C309 PolarHBondContact O-SG 2.64Å; C268-C309 PolarHBondContact SG-SG 2.87Å; T272-C309 HydrophobicContact CG2-CB 4.15Å; T272-C309 VanDerWaalsContact CG2-SG 3.57Å; V305-C309 PolarHBondContact O-N 3.47Å; V305-C309 PolarHBondContact O-SG 2.95Å; Q306-C309 PolarHBondContact O-N 3.33Å; C309-Y312 WeakPolarHBondContact O-CB 3.28Å; C309-Y312 PolarHBondContact O-N 3.24Å; C309-G313 PolarHBondContact O-N 3.3Å; C309-L314 CarbonylContact C-O 3.58Å; C309-L314 VanDerWaalsContact C-O 3.26Å; C309-L314 HydrophobicContact CB-CB 3.9Å; C309-L314 PolarHBondContact O-N 3.45Å; C309-L314 VanDerWaalsContact O-N 3.08Å
310V92.6Very high79.3Confident6 Ų657 Ų574%0.03632%0.32CS..G310 helixtrans-58.9-38.6-175.3170.80000114F290 L291 Q306 Y312 G313 L314F290-V310 HydrophobicContact CD1-CG1 3.72Å; F290-V310 HydrophobicContact CE1-CG1 4.12Å; F290-V310 HydrophobicContact CE1-CG2 4.23Å; L291-V310 HydrophobicContact CB-CG1 3.76Å; L291-V310 HydrophobicContact CD1-CB 4.07Å; L291-V310 HydrophobicContact CD1-CG1 4.15Å; L291-V310 HydrophobicContact CD1-CG2 4.32Å; L291-V310 HydrophobicContact CG-CG1 4.36Å; Q306-V310 HydrophobicContact CG-CG2 4.08Å; Q306-V310 VanDerWaalsContact O-CG2 3.22Å; Q306-V310 WeakPolarHBondContact O-CG2 3.47Å; Q306-V310 PolarHBondContact O-N 3.04Å; V310-Y312 PolarHBondContact O-N 2.85Å; V310-G313 WeakPolarHBondContact O-CA 3.05Å; V310-G313 PolarHBondContact O-N 3.03Å; V310-L314 WeakPolarHBondContact CA-O 3.49Å; V310-L314 PolarHBondContact N-O 3.12Å
311P93.2Very high78Confident47 Ų4762.3 Ų62.331%0.30534%0.342SS..G310 helixtrans-55.7-34.3173.1-29.236.6000114.4L280 K287 L291 R307 Q308 G313L280-P311 HydrophobicContact CD2-CB 3.8Å; K287-P311 VanDerWaalsContact CD-O 3.22Å; K287-P311 WeakPolarHBondContact CD-O 3.43Å; K287-P311 PolarHBondContact NZ-O 2.72Å; L291-P311 HydrophobicContact CD2-CG 4.33Å; R307-P311 WeakPolarHBondContact O-CD 3.49Å; R307-P311 WeakPolarHBondContact O-CG 3.33Å; Q308-P311 WeakPolarHBondContact O-CD 3.49Å; P311-G313 VanDerWaalsContact C-N 3.25Å; P311-G313 PolarHBondContact O-N 2.98Å
312Y93.5Very high77.4Confident49 Ų4965.9 Ų65.919%0.19236%0.361CS..G310 helixtrans-75.4-15.4173.3-79.7-93.3000112.5T272 L275 L280 K287 C309 V310T272-Y312 HydrophobicContact CG2-CD2 4.14Å; T272-Y312 PolarHBondContact O-OH 3.38Å; L275-Y312 HydrophobicContact CB-CD1 4.43Å; L280-Y312 HydrophobicContact CD1-CE1 4.38Å; L280-Y312 HydrophobicContact CD1-CE2 4.29Å; L280-Y312 HydrophobicContact CD2-CD1 4.34Å; L280-Y312 HydrophobicContact CD2-CD2 3.71Å; L280-Y312 HydrophobicContact CD2-CE1 4.3Å; L280-Y312 HydrophobicContact CD2-CE2 3.64Å; L280-Y312 HydrophobicContact CD2-CG 4.06Å; L280-Y312 HydrophobicContact CG-CD1 4.36Å; L280-Y312 HydrophobicContact CG-CD2 4.48Å; L280-Y312 HydrophobicContact CG-CE1 4.05Å; L280-Y312 HydrophobicContact CG-CE2 4.16Å; K287-Y312 PolarHBondContact NZ-O 3Å; K287-Y312 VanDerWaalsContact NZ-O 3.1Å; C309-Y312 WeakPolarHBondContact O-CB 3.28Å; C309-Y312 PolarHBondContact O-N 3.24Å; V310-Y312 PolarHBondContact O-N 2.85Å
313G92.6Very high76.7Confident52 Ų5270.6 Ų70.654%0.53639%0.386SS..THydrogen-bonded Turntrans90.121.4-171.800000112.8C309 V310 P311C309-G313 PolarHBondContact O-N 3.3Å; V310-G313 WeakPolarHBondContact O-CA 3.05Å; V310-G313 PolarHBondContact O-N 3.03Å; P311-G313 VanDerWaalsContact C-N 3.25Å; P311-G313 PolarHBondContact O-N 2.98Å
314L93.9Very high76.3Confident25 Ų2570.3 Ų70.313%0.13139%0.387CS..  trans-104.8146-178.6-59.6170.5000111.1L271 T272 L275 C309 V310L271-L314 HydrophobicContact CB-CD1 3.58Å; L271-L314 HydrophobicContact CD1-CD2 4.29Å; T272-L314 HydrophobicContact CG2-CD1 4.03Å; L275-L314 HydrophobicContact CD1-CD1 4.02Å; L275-L314 HydrophobicContact CD1-CD2 4.08Å; L275-L314 HydrophobicContact CD1-CG 4.41Å; C309-L314 CarbonylContact C-O 3.58Å; C309-L314 VanDerWaalsContact C-O 3.26Å; C309-L314 HydrophobicContact CB-CB 3.9Å; C309-L314 PolarHBondContact O-N 3.45Å; C309-L314 VanDerWaalsContact O-N 3.08Å; V310-L314 WeakPolarHBondContact CA-O 3.49Å; V310-L314 PolarHBondContact N-O 3.12Å
315A90Very high76.2Confident69 Ų6965.2 Ų65.257%0.5736%0.36SS*.  trans-149.3152.1172.200000109.3
316Y86.8Confident76.3Confident53 Ų5370.6 Ų70.621%0.20838%0.382CS..  trans-124154.5172.974.5-78.4000111.3E265 C268 C303 V305 Q306E265-Y316 HydrophobicContact CB-CD2 4.16Å; E265-Y316 HydrophobicContact CB-CE2 3.8Å; E265-Y316 HydrophobicContact CG-CE1 4.27Å; E265-Y316 HydrophobicContact CG-CE2 4.04Å; C268-Y316 HydrophobicContact CB-CD1 4.16Å; C268-Y316 HydrophobicContact CB-CG 4.37Å; C303-Y316 PolarHBondContact SG-OH 2.99Å; C303-Y316 VanDerWaalsContact SG-OH 3.4Å; V305-Y316 HydrophobicContact CB-CE1 4.21Å; V305-Y316 HydrophobicContact CG1-CD1 4.25Å; V305-Y316 HydrophobicContact CG1-CE1 3.69Å; Q306-Y316 VanDerWaalsContact OE1-CD1 3.22Å
317H75.7Confident76.7Confident155 Ų15570.2 Ų70.272%0.71838%0.382SS*.  trans-145.2146.1173.5178.7-98.1000108.6
318H67.3Low76.9Confident81 Ų8165.4 Ų65.438%0.37537%0.365SS..  trans-129.5101.5174.357.761.4000111R261R261-H318 HydrophobicContact CB-CB 3.84Å; R261-H318 WeakPolarHBondContact CD-ND1 3.44Å; R261-H318 HydrophobicContact CG-CB 3.72Å
319S54.7Low77Confident65 Ų6560.3 Ų60.346%0.45534%0.341SS..PPolyproline II helixtrans-75.6160.2164.244.80000110.2
320G48.4Very low76.9Confident40 Ų4063.7 Ų63.741%0.41236%0.359SS..PPolyproline II helixtrans-61.2160.6176.200000113.3F322G320-F322 PolarHBondContact O-N 3.43Å
321N40.8Very low76.6Confident136 Ų13665.6 Ų65.673%0.72737%0.365SS*.PPolyproline II helixtrans-48.8131.2-177-74.6-1.4000112.2D323N321-D323 PolarHBondContact O-N 3.25Å
322F48Very low76.1Confident176 Ų17667.4 Ų67.477%0.77237%0.373SS*.  trans-81.553.9171.2-64.7-85.5000111G320G320-F322 PolarHBondContact O-N 3.43Å
323D51.9Low75.8Confident111 Ų11171.9 Ų71.959%0.59440%0.4SS*.  trans-65.7166.9170.3-84.3-29.1000110.5N321N321-D323 PolarHBondContact O-N 3.25Å
324A64.2Low75.6Confident46 Ų4670 Ų7038%0.3838%0.38SS..  trans-43.9143.2170.400000111.4N178 K326N178-A324 HydrophobicContact CB-CB 4.36Å; A324-K326 VanDerWaalsContact C-N 3.28Å; A324-K326 WeakPolarHBondContact O-CG 3.4Å; A324-K326 PolarHBondContact O-N 3.38Å
325C77Confident75.4Confident8 Ų870.7 Ų70.75%0.05438%0.381CS..  trans-65.585.7-177.5-176.70000110.2G144 N178 Q368G144-C325 PolarHBondContact N-SG 2.9Å; N178-C325 PolarHBondContact ND2-O 2.76Å; N178-C325 WeakPolarHBondContact OD1-CB 3.24Å; N178-C325 PolarHBondContact OD1-N 2.81Å; N178-C325 VanDerWaalsContact OD1-N 3.16Å; C325-Q368 PolarHBondContact O-NE2 3.3Å
326K83.8Confident75.5Confident129 Ų12967.4 Ų67.456%0.56135%0.354SS*.  trans-80.4153.7179.8-72.8-179.8-177.6179.70110.8G144 A324 S328G144-K326 WeakPolarHBondContact CA-O 3.37Å; A324-K326 VanDerWaalsContact C-N 3.28Å; A324-K326 WeakPolarHBondContact O-CG 3.4Å; A324-K326 PolarHBondContact O-N 3.38Å; K326-S328 PolarHBondContact O-N 3.27Å
327S90.1Very high75.9Confident16 Ų1664.9 Ų64.911%0.11234%0.344CS..  trans-56.6130.9171.1175.60000110.4E154 L329 L365E154-S327 PolarHBondContact OE1-OG 3.09Å; E154-S327 VanDerWaalsContact OE1-OG 3.04Å; E154-S327 WeakPolarHBondContact OE2-CA 3.47Å; E154-S327 WeakPolarHBondContact OE2-CB 3.34Å; E154-S327 PolarHBondContact OE2-OG 2.88Å; S327-L329 VanDerWaalsContact C-N 3.28Å; S327-L329 WeakPolarHBondContact OG-CB 3.43Å; S327-L329 PolarHBondContact OG-N 3.4Å; S327-L329 VanDerWaalsContact OG-N 3.11Å; S327-L365 WeakPolarHBondContact OG-CB 3.38Å
328S89.6Confident76.9Confident3 Ų358.4 Ų58.42%0.02131%0.314CS..G310 helixtrans-87.68.1173.5-71.10000112.1I143 G146 G150 S151 E154 K326 L330 Y331I143-S328 WeakPolarHBondContact O-CB 3.47Å; I143-S328 PolarHBondContact O-OG 2.99Å; G146-S328 WeakPolarHBondContact CA-OG 3.46Å; G146-S328 PolarHBondContact N-OG 3.04Å; G146-S328 VanDerWaalsContact N-OG 3.1Å; G150-S328 VanDerWaalsContact C-CB 3.5Å; S151-S328 VanDerWaalsContact N-CB 3.29Å; E154-S328 PolarHBondContact OE2-N 3.35Å; K326-S328 PolarHBondContact O-N 3.27Å; S328-L330 VanDerWaalsContact C-N 3.27Å; S328-L330 PolarHBondContact O-N 3.06Å; S328-Y331 WeakPolarHBondContact O-CD1 3Å; S328-Y331 PolarHBondContact O-N 3.17Å
329L92.1Very high78.1Confident0 Ų056.2 Ų56.20%030%0.304CS..G310 helixtrans-69.2-24.6-179.5-67.6-179.1000113.7E154 Q155 S327 G334 G336 L337 L340 T363 L365E154-L329 HydrophobicContact CG-CD1 4.37Å; E154-L329 HydrophobicContact CG-CD2 4.48Å; E154-L329 HydrophobicContact CG-CG 4.27Å; E154-L329 VanDerWaalsContact OE1-CD1 3.24Å; E154-L329 WeakPolarHBondContact OE1-CD1 3.45Å; Q155-L329 HydrophobicContact CG-CD2 4.07Å; S327-L329 VanDerWaalsContact C-N 3.28Å; S327-L329 WeakPolarHBondContact OG-CB 3.43Å; S327-L329 PolarHBondContact OG-N 3.4Å; S327-L329 VanDerWaalsContact OG-N 3.11Å; L329-G334 CarbonylContact O-C 3.56Å; L329-G336 CarbonylContact O-C 3.44Å; L329-G336 WeakPolarHBondContact O-CA 3.44Å; L329-G336 PolarHBondContact O-N 3.5Å; L329-L337 HydrophobicContact CB-CB 4.35Å; L329-L337 PolarHBondContact O-N 3.3Å; L329-L340 HydrophobicContact CD1-CD2 4.09Å; L329-T363 HydrophobicContact CD1-CG2 3.61Å; L329-L365 HydrophobicContact CB-CD2 4.29Å; L329-L365 HydrophobicContact CD1-CB 4.17Å
330L89.2Confident80.1Confident71 Ų7153.1 Ų53.137%0.37228%0.283SS..G310 helixtrans-87.3-2.2-179.7-62.6-174.3000114.5S328 G334 L365 I380S328-L330 VanDerWaalsContact C-N 3.27Å; S328-L330 PolarHBondContact O-N 3.06Å; L330-G334 PolarHBondContact O-N 2.91Å; L330-G334 VanDerWaalsContact O-N 3.15Å; L330-L365 HydrophobicContact CD1-CD1 3.65Å; L330-L365 HydrophobicContact CD2-CD1 4.31Å; L330-L365 HydrophobicContact CD2-CD2 3.84Å; L330-L365 HydrophobicContact CG-CD1 3.77Å; L330-L365 HydrophobicContact CG-CD2 4.11Å; L330-I380 HydrophobicContact CD1-CD1 4.43Å; L330-I380 HydrophobicContact CD2-CD1 4.33Å; L330-I380 HydrophobicContact CD2-CG2 3.68Å
331Y86.2Confident82.3Confident46 Ų4651.2 Ų51.218%0.1826%0.263CS..Hα-helixtrans-56.7145.2179.489.2-72.6000111.7G146 S151 S328 N333 G334 R335 G336G146-Y331 WeakPolarHBondContact O-CB 3.21Å; S151-Y331 VanDerWaalsContact CB-CE1 3.46Å; S328-Y331 WeakPolarHBondContact O-CD1 3Å; S328-Y331 PolarHBondContact O-N 3.17Å; Y331-N333 PolarHBondContact O-N 2.72Å; Y331-G334 PolarHBondContact O-N 3.34Å; Y331-R335 HydrophobicContact CD1-CB 4.34Å; Y331-R335 HydrophobicContact CE1-CB 3.95Å; Y331-R335 HydrophobicContact CE1-CG 4.2Å; Y331-R335 HydrophobicContact CE2-CB 4.26Å; Y331-R335 HydrophobicContact CE2-CG 4.36Å; Y331-R335 WeakPolarHBondContact O-CB 3.24Å; Y331-R335 PolarHBondContact O-N 3.29Å; Y331-R335 VanDerWaalsContact OH-CD 3.29Å; Y331-R335 WeakPolarHBondContact OH-CD 3.41Å; Y331-G336 VanDerWaalsContact CE1-N 3.27Å
332D83.1Confident85Confident85 Ų8544.9 Ų44.946%0.45523%0.229SC..Hα-helixtrans46.160177.5-156.7-1.5000112.9G334 R335D332-G334 PolarHBondContact O-N 2.71Å; D332-R335 HydrophobicContact CB-CB 4.32Å; D332-R335 PolarHBondContact O-N 3.38Å; D332-R335 IonicContact OD2-CZ 3.41Å; D332-R335 IonicContact OD2-NE 2.75Å; D332-R335 IonicContact OD2-NH1 3.77Å; D332-R335 PolarHBondContact OD2-NH1 2.92Å; D332-R335 IonicContact OD2-NH2 3.93Å; D332-R335 PolarHBondContact OD2-NH2 3.19Å
333N86Confident87.2Confident143 Ų14337 Ų3777%0.76520%0.196SC*.Hα-helixtrans57.449.2-179.4-58.6-37000113.7Y331 R335 K338Y331-N333 PolarHBondContact O-N 2.72Å; N333-R335 PolarHBondContact O-N 3.31Å; N333-K338 WeakPolarHBondContact O-CE 3.34Å; N333-K338 PolarHBondContact O-NZ 3.02Å
334G89.3Confident89.3Confident11 Ų1131.7 Ų31.711%0.11317%0.168CC..Hα-helixtrans75.519.5174.800000114.7L329 L330 Y331 D332 G336 L337 K338L329-G334 CarbonylContact O-C 3.56Å; L330-G334 PolarHBondContact O-N 2.91Å; L330-G334 VanDerWaalsContact O-N 3.15Å; Y331-G334 PolarHBondContact O-N 3.34Å; D332-G334 PolarHBondContact O-N 2.71Å; G334-G336 PolarHBondContact O-N 3.29Å; G334-L337 PolarHBondContact O-N 3.15Å; G334-L337 VanDerWaalsContact O-N 3.17Å; G334-K338 WeakPolarHBondContact O-CG 3.29Å; G334-K338 PolarHBondContact O-N 3.36Å
335R89.9Confident90.7Very high41 Ų4129.7 Ų29.716%0.15515%0.15CC..Hα-helixtrans-54.1-41.8-179.2-178.2177.1-68.3169.112.8112.5Y331 D332 N333 K338 N339 D416 D418Y331-R335 HydrophobicContact CD1-CB 4.34Å; Y331-R335 HydrophobicContact CE1-CB 3.95Å; Y331-R335 HydrophobicContact CE1-CG 4.2Å; Y331-R335 HydrophobicContact CE2-CB 4.26Å; Y331-R335 HydrophobicContact CE2-CG 4.36Å; Y331-R335 WeakPolarHBondContact O-CB 3.24Å; Y331-R335 PolarHBondContact O-N 3.29Å; Y331-R335 VanDerWaalsContact OH-CD 3.29Å; Y331-R335 WeakPolarHBondContact OH-CD 3.41Å; D332-R335 HydrophobicContact CB-CB 4.32Å; D332-R335 PolarHBondContact O-N 3.38Å; D332-R335 IonicContact OD2-CZ 3.41Å; D332-R335 IonicContact OD2-NE 2.75Å; D332-R335 IonicContact OD2-NH1 3.77Å; D332-R335 PolarHBondContact OD2-NH1 2.92Å; D332-R335 IonicContact OD2-NH2 3.93Å; D332-R335 PolarHBondContact OD2-NH2 3.19Å; N333-R335 PolarHBondContact O-N 3.31Å; R335-K338 PolarHBondContact O-N 3.44Å; R335-N339 PolarHBondContact O-N 3.02Å; R335-N339 PolarHBondContact O-ND2 3.08Å; R335-D416 VanDerWaalsContact CD-OD2 3.23Å; R335-D416 WeakPolarHBondContact CD-OD2 3.43Å; R335-D416 IonicContact CZ-OD1 2.85Å; R335-D416 IonicContact CZ-OD2 2.85Å; R335-D416 IonicContact NE-OD1 2.93Å; R335-D416 PolarHBondContact NE-OD1 3.23Å; R335-D416 IonicContact NE-OD2 2.98Å; R335-D416 PolarHBondContact NE-OD2 2.99Å; R335-D416 VanDerWaalsContact NE-OD2 3.12Å; R335-D416 IonicContact NH1-OD2 2.9Å; R335-D416 PolarHBondContact NH1-OD2 3.38Å; R335-D416 IonicContact NH2-OD2 3.86Å; R335-D418 IonicContact CZ-OD2 3.71Å; R335-D418 VanDerWaalsContact CZ-OD2 3.24Å; R335-D418 IonicContact NE-OD2 2.82Å; R335-D418 PolarHBondContact NE-OD2 3.12Å; R335-D418 IonicContact NH2-OD2 3.85Å; R335-D418 PolarHBondContact NH2-OD2 2.84Å
336G92.3Very high91.5Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-63-43.6179.500000113.4S151 Q155 L329 Y331 G334 N339 L340S151-G336 WeakPolarHBondContact OG-CA 3.2Å; Q155-G336 PolarHBondContact NE2-O 3.24Å; L329-G336 CarbonylContact O-C 3.44Å; L329-G336 WeakPolarHBondContact O-CA 3.44Å; L329-G336 PolarHBondContact O-N 3.5Å; Y331-G336 VanDerWaalsContact CE1-N 3.27Å; G334-G336 PolarHBondContact O-N 3.29Å; G336-N339 PolarHBondContact O-N 2.76Å; G336-L340 PolarHBondContact O-N 3.32Å
337L94.8Very high91.9Very high0 Ų025.5 Ų25.50%014%0.139CC..Hα-helixtrans-66.2-43.2176.5-177.562.2000111.9L329 G334 N339 L340 L341 I380 V381 A384L329-L337 HydrophobicContact CB-CB 4.35Å; L329-L337 PolarHBondContact O-N 3.3Å; G334-L337 PolarHBondContact O-N 3.15Å; G334-L337 VanDerWaalsContact O-N 3.17Å; L337-N339 VanDerWaalsContact C-N 3.3Å; L337-N339 PolarHBondContact O-N 3.44Å; L337-L340 HydrophobicContact CD1-CD2 4.47Å; L337-L340 WeakPolarHBondContact O-CB 3.38Å; L337-L340 PolarHBondContact O-N 3.47Å; L337-L341 HydrophobicContact CD1-CG 4.33Å; L337-L341 HydrophobicContact CG-CD1 4.35Å; L337-L341 WeakPolarHBondContact O-CG 3.26Å; L337-L341 PolarHBondContact O-N 3.21Å; L337-I380 HydrophobicContact CD2-CG2 3.63Å; L337-V381 HydrophobicContact CD2-CG2 4.15Å; L337-A384 HydrophobicContact CD2-CB 4.05Å; L337-A384 HydrophobicContact CG-CB 4.19Å
338K95.3Very high92.1Very high19 Ų1932.1 Ų32.18%0.08317%0.166CC..Hα-helixtrans-56.7-45.3175-65.7166.1-175.6169.10111.1N333 G334 R335 L341 L342 A384 F387 L388 V417 D418N333-K338 WeakPolarHBondContact O-CE 3.34Å; N333-K338 PolarHBondContact O-NZ 3.02Å; G334-K338 WeakPolarHBondContact O-CG 3.29Å; G334-K338 PolarHBondContact O-N 3.36Å; R335-K338 PolarHBondContact O-N 3.44Å; K338-L341 PolarHBondContact O-N 3.33Å; K338-L342 WeakPolarHBondContact O-CB 3.41Å; K338-L342 PolarHBondContact O-N 3.44Å; K338-A384 HydrophobicContact CG-CB 4.05Å; K338-F387 HydrophobicContact CD-CD1 3.57Å; K338-F387 HydrophobicContact CD-CE1 3.77Å; K338-F387 HydrophobicContact CD-CG 4.13Å; K338-F387 HydrophobicContact CD-CZ 4.46Å; K338-F387 HydrophobicContact CG-CD1 4.1Å; K338-L388 HydrophobicContact CB-CD2 4.35Å; K338-V417 HydrophobicContact CB-CG2 3.94Å; K338-V417 HydrophobicContact CD-CG2 4.12Å; K338-D418 IonicContact NZ-OD1 2.63Å; K338-D418 PolarHBondContact NZ-OD1 3.11Å
339N94Very high92.3Very high34 Ų3432.7 Ų32.718%0.18217%0.168CC..Hα-helixtrans-64.8-40.8176.8-75.9-26.9000112.8R335 G336 L337 S343 V417R335-N339 PolarHBondContact O-N 3.02Å; R335-N339 PolarHBondContact O-ND2 3.08Å; G336-N339 PolarHBondContact O-N 2.76Å; L337-N339 VanDerWaalsContact C-N 3.3Å; L337-N339 PolarHBondContact O-N 3.44Å; N339-S343 WeakPolarHBondContact O-CB 3.41Å; N339-S343 PolarHBondContact O-N 3.2Å; N339-V417 VanDerWaalsContact OD1-CG1 3.24Å; N339-V417 WeakPolarHBondContact OD1-CG1 3.48Å
340L95.6Very high92.4Very high0 Ų032.8 Ų32.80%017%0.169CC..Hα-helixtrans-58.2-53.8175.7177.558000110.7Q155 V158 L329 G336 L337 S343 T344 T363Q155-L340 HydrophobicContact CB-CD1 4.31Å; Q155-L340 HydrophobicContact CG-CB 3.92Å; Q155-L340 HydrophobicContact CG-CD1 4.04Å; Q155-L340 HydrophobicContact CG-CG 4.46Å; V158-L340 HydrophobicContact CG1-CD1 4.16Å; V158-L340 HydrophobicContact CG1-CD2 4.32Å; L329-L340 HydrophobicContact CD1-CD2 4.09Å; G336-L340 PolarHBondContact O-N 3.32Å; L337-L340 HydrophobicContact CD1-CD2 4.47Å; L337-L340 WeakPolarHBondContact O-CB 3.38Å; L337-L340 PolarHBondContact O-N 3.47Å; L340-S343 PolarHBondContact O-N 3.24Å; L340-T344 HydrophobicContact CD1-CG2 3.94Å; L340-T344 VanDerWaalsContact O-CG2 3.26Å; L340-T344 WeakPolarHBondContact O-CG2 3.37Å; L340-T344 PolarHBondContact O-N 3.13Å; L340-T344 PolarHBondContact O-OG1 3Å; L340-T363 HydrophobicContact CD2-CG2 3.7Å
341L95.8Very high92.4Very high0 Ų034.2 Ų34.20%017%0.172CC..Hα-helixtrans-61.8-46.8-178.5-66.4178.9000111.4L337 K338 S343 T344 I345 I350 I356 A384 L388L337-L341 HydrophobicContact CD1-CG 4.33Å; L337-L341 HydrophobicContact CG-CD1 4.35Å; L337-L341 WeakPolarHBondContact O-CG 3.26Å; L337-L341 PolarHBondContact O-N 3.21Å; K338-L341 PolarHBondContact O-N 3.33Å; L341-S343 PolarHBondContact O-N 2.85Å; L341-T344 PolarHBondContact O-N 3.32Å; L341-T344 PolarHBondContact O-OG1 2.87Å; L341-T344 VanDerWaalsContact O-OG1 3.08Å; L341-I345 WeakPolarHBondContact O-CB 3.42Å; L341-I345 WeakPolarHBondContact O-CD1 3.47Å; L341-I345 WeakPolarHBondContact O-CG1 3.29Å; L341-I345 PolarHBondContact O-N 3.26Å; L341-I350 HydrophobicContact CD2-CD1 4.41Å; L341-I356 HydrophobicContact CD2-CG2 4.06Å; L341-A384 HydrophobicContact CD1-CB 3.97Å; L341-L388 HydrophobicContact CB-CD1 3.97Å
342L95.7Very high92.6Very high3 Ų334 Ų342%0.01618%0.177CC..Hα-helixtrans-62.1-44.3179.1-173.365.6000111.4K338 T344 G346 L388 L393 V394 I403 V410 C411 V417K338-L342 WeakPolarHBondContact O-CB 3.41Å; K338-L342 PolarHBondContact O-N 3.44Å; L342-T344 VanDerWaalsContact C-N 3.34Å; L342-T344 PolarHBondContact O-N 3.07Å; L342-G346 PolarHBondContact O-N 3.22Å; L342-L388 HydrophobicContact CB-CD1 4.13Å; L342-L388 HydrophobicContact CB-CD2 4.15Å; L342-L388 HydrophobicContact CD1-CD2 4.42Å; L342-L388 HydrophobicContact CD2-CD2 4.5Å; L342-L393 HydrophobicContact CD1-CB 3.78Å; L342-L393 HydrophobicContact CD2-CB 4.41Å; L342-L393 HydrophobicContact CD2-CD1 4.02Å; L342-V394 HydrophobicContact CD1-CG1 3.71Å; L342-I403 HydrophobicContact CD1-CD1 4.09Å; L342-I403 HydrophobicContact CD1-CG1 4.39Å; L342-V410 HydrophobicContact CD2-CB 4.15Å; L342-V410 HydrophobicContact CD2-CG1 3.67Å; L342-C411 VanDerWaalsContact C-SG 3.53Å; L342-C411 PolarHBondContact O-SG 3.35Å; L342-V417 HydrophobicContact CD2-CG1 3.48Å; L342-V417 VanDerWaalsContact CD2-CG1 3.48Å
343S94.3Very high92.8Very high10 Ų1036.6 Ų36.67%0.0718%0.184CC..Hα-helixtrans-61.5-40178.5-179.70000112.2N121 K159 N339 L340 L341 L347N121-S343 PolarHBondContact ND2-OG 3.16Å; K159-S343 PolarHBondContact NZ-OG 2.88Å; N339-S343 WeakPolarHBondContact O-CB 3.41Å; N339-S343 PolarHBondContact O-N 3.2Å; L340-S343 PolarHBondContact O-N 3.24Å; L341-S343 PolarHBondContact O-N 2.85Å; S343-L347 WeakPolarHBondContact O-CB 3.14Å; S343-L347 WeakPolarHBondContact O-CD1 3.42Å; S343-L347 VanDerWaalsContact O-CG 3.25Å; S343-L347 WeakPolarHBondContact O-CG 3.49Å; S343-L347 PolarHBondContact O-N 3.18Å
344T95.9Very high93Very high0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-80.4-35.1-175.254.60000111.8K159 L340 L341 L342 G346 K348 M349 I350 I359K159-T344 HydrophobicContact CD-CG2 4.21Å; K159-T344 HydrophobicContact CG-CG2 3.99Å; L340-T344 HydrophobicContact CD1-CG2 3.94Å; L340-T344 VanDerWaalsContact O-CG2 3.26Å; L340-T344 WeakPolarHBondContact O-CG2 3.37Å; L340-T344 PolarHBondContact O-N 3.13Å; L340-T344 PolarHBondContact O-OG1 3Å; L341-T344 PolarHBondContact O-N 3.32Å; L341-T344 PolarHBondContact O-OG1 2.87Å; L341-T344 VanDerWaalsContact O-OG1 3.08Å; L342-T344 VanDerWaalsContact C-N 3.34Å; L342-T344 PolarHBondContact O-N 3.07Å; T344-G346 VanDerWaalsContact C-N 3.35Å; T344-K348 PolarHBondContact O-N 2.77Å; T344-M349 HydrophobicContact CG2-SD 4.09Å; T344-M349 WeakPolarHBondContact O-CB 3.42Å; T344-M349 PolarHBondContact O-N 2.76Å; T344-I350 PolarHBondContact O-N 2.95Å; T344-I350 WeakPolarHBondContact OG1-CD1 3.39Å; T344-I359 HydrophobicContact CG2-CD1 3.27Å
345I95.3Very high93.2Very high4 Ų434.2 Ų34.22%0.02118%0.177CC..Hα-helixtrans-63.4-44.2168.4-64162.8000109.6L341 L347 K348 I350 V394 I401 I403L341-I345 WeakPolarHBondContact O-CB 3.42Å; L341-I345 WeakPolarHBondContact O-CD1 3.47Å; L341-I345 WeakPolarHBondContact O-CG1 3.29Å; L341-I345 PolarHBondContact O-N 3.26Å; I345-L347 VanDerWaalsContact C-N 3.35Å; I345-L347 PolarHBondContact O-N 3.44Å; I345-K348 WeakPolarHBondContact O-CA 3.43Å; I345-K348 PolarHBondContact O-N 3.01Å; I345-I350 HydrophobicContact CB-CG1 4.46Å; I345-I350 HydrophobicContact CG1-CD1 3.81Å; I345-I350 HydrophobicContact CG1-CG1 3.63Å; I345-V394 HydrophobicContact CD1-CG1 4.01Å; I345-V394 HydrophobicContact CG2-CG1 4.13Å; I345-I401 HydrophobicContact CD1-CG2 3.77Å; I345-I401 HydrophobicContact CG1-CG2 4.41Å; I345-I401 HydrophobicContact CG2-CG2 4.28Å; I345-I403 HydrophobicContact CG2-CB 4.16Å
346G92.8Very high93.3Very high23 Ų2332.5 Ų32.524%0.23717%0.171CC..Hα-helixtrans-64.9-35.8-17900000114.6L342 T344 K348L342-G346 PolarHBondContact O-N 3.22Å; T344-G346 VanDerWaalsContact C-N 3.35Å; G346-K348 PolarHBondContact O-N 3.4Å
347L93.4Very high93.3Very high27 Ų2735.4 Ų35.414%0.14119%0.186CC..THydrogen-bonded Turntrans-78.3-2.6171.6-67.2168.5000112.3N121 Y124 E125 K159 S343 I345 M349N121-L347 HydrophobicContact CB-CD1 4.1Å; N121-L347 HydrophobicContact CB-CD2 4.42Å; N121-L347 WeakPolarHBondContact OD1-CD1 3.43Å; Y124-L347 HydrophobicContact CD1-CB 3.9Å; Y124-L347 HydrophobicContact CD1-CD1 4.4Å; Y124-L347 HydrophobicContact CD1-CD2 4.14Å; Y124-L347 HydrophobicContact CD1-CG 4.36Å; Y124-L347 HydrophobicContact CE1-CB 3.91Å; Y124-L347 WeakPolarHBondContact CE1-O 3.42Å; E125-L347 HydrophobicContact CB-CD2 4.16Å; K159-L347 HydrophobicContact CD-CD1 4.45Å; S343-L347 WeakPolarHBondContact O-CB 3.14Å; S343-L347 WeakPolarHBondContact O-CD1 3.42Å; S343-L347 VanDerWaalsContact O-CG 3.25Å; S343-L347 WeakPolarHBondContact O-CG 3.49Å; S343-L347 PolarHBondContact O-N 3.18Å; I345-L347 VanDerWaalsContact C-N 3.35Å; I345-L347 PolarHBondContact O-N 3.44Å; L347-M349 HydrophobicContact CB-CE 4.19Å; L347-M349 HydrophobicContact CB-CG 3.98Å; L347-M349 HydrophobicContact CB-SD 4.29Å; L347-M349 HydrophobicContact CD1-CE 3.68Å; L347-M349 HydrophobicContact CD1-SD 4.21Å; L347-M349 PolarHBondContact O-N 3.01Å
348K93.3Very high93.2Very high154 Ų15440.5 Ų40.567%0.6721%0.21SC*.THydrogen-bonded Turntrans58.529-174.9-51.6178.7179.8179.70113.1T344 I345 G346 I350T344-K348 PolarHBondContact O-N 2.77Å; I345-K348 WeakPolarHBondContact O-CA 3.43Å; I345-K348 PolarHBondContact O-N 3.01Å; G346-K348 PolarHBondContact O-N 3.4Å; K348-I350 VanDerWaalsContact C-N 3.35Å
349M93.6Very high93.2Very high16 Ų1639.6 Ų39.68%0.07921%0.206CC..SBendtrans-72.1-33.9172-68.9175.5173.500111.3Y124 K159 F162 C163 T344 L347Y124-M349 HydrophobicContact CD1-CE 3.47Å; Y124-M349 VanDerWaalsContact CD1-CE 3.47Å; Y124-M349 HydrophobicContact CD1-CG 4.37Å; Y124-M349 HydrophobicContact CD2-CE 3.56Å; Y124-M349 HydrophobicContact CE1-CE 3.68Å; Y124-M349 HydrophobicContact CE1-CG 3.64Å; Y124-M349 HydrophobicContact CE2-CE 3.8Å; Y124-M349 HydrophobicContact CE2-CG 4.26Å; Y124-M349 HydrophobicContact CG-CE 3.39Å; K159-M349 HydrophobicContact CD-SD 4.44Å; K159-M349 HydrophobicContact CG-SD 4.19Å; F162-M349 HydrophobicContact CD1-CB 4.24Å; F162-M349 HydrophobicContact CE1-CB 3.91Å; F162-M349 WeakPolarHBondContact CE1-O 3.39Å; C163-M349 HydrophobicContact CB-CE 3.93Å; T344-M349 HydrophobicContact CG2-SD 4.09Å; T344-M349 WeakPolarHBondContact O-CB 3.42Å; T344-M349 PolarHBondContact O-N 2.76Å; L347-M349 HydrophobicContact CB-CE 4.19Å; L347-M349 HydrophobicContact CB-CG 3.98Å; L347-M349 HydrophobicContact CB-SD 4.29Å; L347-M349 HydrophobicContact CD1-CE 3.68Å; L347-M349 HydrophobicContact CD1-SD 4.21Å; L347-M349 PolarHBondContact O-N 3.01Å
350I93.5Very high93.2Very high2 Ų238.3 Ų38.31%0.0120%0.199CC..  trans-127.7142.4179.667.8175.7000109.4F162 L341 T344 I345 K348 D355 I356 I359F162-I350 HydrophobicContact CZ-CG2 4.17Å; L341-I350 HydrophobicContact CD2-CD1 4.41Å; T344-I350 PolarHBondContact O-N 2.95Å; T344-I350 WeakPolarHBondContact OG1-CD1 3.39Å; I345-I350 HydrophobicContact CB-CG1 4.46Å; I345-I350 HydrophobicContact CG1-CD1 3.81Å; I345-I350 HydrophobicContact CG1-CG1 3.63Å; K348-I350 VanDerWaalsContact C-N 3.35Å; I350-D355 HydrophobicContact CB-CB 3.54Å; I350-D355 HydrophobicContact CG2-CB 3.7Å; I350-I356 HydrophobicContact CD1-CG1 3.75Å; I350-I359 HydrophobicContact CD1-CG2 4.26Å; I350-I359 HydrophobicContact CG2-CB 4.34Å; I350-I359 HydrophobicContact CG2-CD1 4.14Å; I350-I359 HydrophobicContact CG2-CG2 4.31Å
351K90.3Very high93.1Very high100 Ų10042.8 Ų42.844%0.43522%0.219SC..  trans-130.8-28.1-178.4-59.5-177.7-176.2-179.10113D355 E400 I401K351-D355 PolarHBondContact N-OD2 3.24Å; K351-E400 HydrophobicContact CB-CG 4.49Å; K351-E400 CarbonylContact O-C 3.57Å; K351-E400 WeakPolarHBondContact O-CA 2.98Å; K351-I401 PolarHBondContact O-N 2.84Å
352C90.7Very high93.1Very high42 Ų4243.8 Ų43.828%0.28422%0.224SC..SBendtrans-127173.1-175.773.20000112.5A354 D355 I356C352-A354 VanDerWaalsContact C-N 3.25Å; C352-A354 PolarHBondContact O-N 3.09Å; C352-D355 PolarHBondContact N-OD2 3.44Å; C352-D355 PolarHBondContact O-N 3.41Å; C352-D355 PolarHBondContact SG-OD2 3.02Å; C352-I356 PolarHBondContact O-N 3.12Å
353K87.1Confident93.1Very high140 Ų14043.6 Ų43.661%0.60922%0.223SC*.Hα-helixtrans-60.6-33.3178.8-170.2179.2179.3-177.60112.8I356 I357K353-I356 WeakPolarHBondContact O-CB 3.48Å; K353-I356 PolarHBondContact O-N 2.97Å; K353-I357 WeakPolarHBondContact O-CG1 3.45Å; K353-I357 PolarHBondContact O-N 3.24Å; K353-I357 VanDerWaalsContact O-N 3.15Å
354A89.5Confident93.1Very high63 Ų6343.1 Ų43.152%0.52122%0.22SC..Hα-helixtrans-64.9-42177.800000111.5C352 I356 I357 Q358C352-A354 VanDerWaalsContact C-N 3.25Å; C352-A354 PolarHBondContact O-N 3.09Å; A354-I356 VanDerWaalsContact C-N 3.33Å; A354-I356 PolarHBondContact O-N 2.89Å; A354-I357 PolarHBondContact O-N 2.75Å; A354-Q358 PolarHBondContact O-N 2.7Å
355D93.2Very high92.9Very high40 Ų4043.5 Ų43.521%0.21422%0.222CC..Hα-helixtrans-64-39176.4-53.4-31.5000111.8I350 K351 C352 I357 Q358 I359I350-D355 HydrophobicContact CB-CB 3.54Å; I350-D355 HydrophobicContact CG2-CB 3.7Å; K351-D355 PolarHBondContact N-OD2 3.24Å; C352-D355 PolarHBondContact N-OD2 3.44Å; C352-D355 PolarHBondContact O-N 3.41Å; C352-D355 PolarHBondContact SG-OD2 3.02Å; D355-I357 VanDerWaalsContact C-N 3.31Å; D355-I357 PolarHBondContact O-N 3.42Å; D355-Q358 WeakPolarHBondContact O-CB 3.24Å; D355-Q358 PolarHBondContact O-N 3.18Å; D355-I359 PolarHBondContact O-N 2.96Å
356I92.8Very high92.8Very high5 Ų545.3 Ų45.33%0.02623%0.229CC..Hα-helixtrans-58-45.7174.1-69.8170.9000110.3L341 I350 C352 K353 A354 Q358 I359 V360 V381 L385 I401L341-I356 HydrophobicContact CD2-CG2 4.06Å; I350-I356 HydrophobicContact CD1-CG1 3.75Å; C352-I356 PolarHBondContact O-N 3.12Å; K353-I356 WeakPolarHBondContact O-CB 3.48Å; K353-I356 PolarHBondContact O-N 2.97Å; A354-I356 VanDerWaalsContact C-N 3.33Å; A354-I356 PolarHBondContact O-N 2.89Å; I356-Q358 VanDerWaalsContact C-N 3.32Å; I356-Q358 PolarHBondContact O-N 3.05Å; I356-I359 WeakPolarHBondContact O-CG2 3.23Å; I356-I359 PolarHBondContact O-N 3.1Å; I356-V360 HydrophobicContact CG2-CG2 4.31Å; I356-V360 WeakPolarHBondContact O-CB 3.33Å; I356-V360 WeakPolarHBondContact O-CG2 3.23Å; I356-V360 PolarHBondContact O-N 3.01Å; I356-V381 HydrophobicContact CG2-CG1 3.46Å; I356-V381 VanDerWaalsContact CG2-CG1 3.46Å; I356-L385 HydrophobicContact CD1-CD2 4.25Å; I356-I401 HydrophobicContact CD1-CD1 3.47Å; I356-I401 VanDerWaalsContact CD1-CD1 3.47Å
357I91.3Very high92.8Very high61 Ų6145.2 Ų45.231%0.31322%0.223SC..Hα-helixtrans-63.2-42.8177.8-65.5165.1000110.1K353 A354 D355 I359 V360 K361K353-I357 WeakPolarHBondContact O-CG1 3.45Å; K353-I357 PolarHBondContact O-N 3.24Å; K353-I357 VanDerWaalsContact O-N 3.15Å; A354-I357 PolarHBondContact O-N 2.75Å; D355-I357 VanDerWaalsContact C-N 3.31Å; D355-I357 PolarHBondContact O-N 3.42Å; I357-I359 PolarHBondContact O-N 3.43Å; I357-V360 PolarHBondContact O-N 3.44Å; I357-K361 HydrophobicContact CG2-CD 4.04Å; I357-K361 HydrophobicContact CG2-CG 4.44Å; I357-K361 WeakPolarHBondContact O-CB 3.42Å; I357-K361 VanDerWaalsContact O-CG 3.27Å; I357-K361 WeakPolarHBondContact O-CG 3.29Å; I357-K361 PolarHBondContact O-N 3.27Å
358Q93Very high92.5Very high108 Ų10845.4 Ų45.451%0.50522%0.224SC..Hα-helixtrans-61.7-44.6179.8-173.4179.6-5.600112.2F162 A354 D355 I356 K361F162-Q358 HydrophobicContact CE2-CG 4.13Å; A354-Q358 PolarHBondContact O-N 2.7Å; D355-Q358 WeakPolarHBondContact O-CB 3.24Å; D355-Q358 PolarHBondContact O-N 3.18Å; I356-Q358 VanDerWaalsContact C-N 3.32Å; I356-Q358 PolarHBondContact O-N 3.05Å; Q358-K361 PolarHBondContact O-N 3.13Å
359I95.1Very high92.1Very high0 Ų039.1 Ų39.10%020%0.199CC..Hα-helixtrans-72.6-35.9-179.7-158.1160000112V158 F162 T344 I350 D355 I356 I357 K361 L362V158-I359 HydrophobicContact CG1-CD1 4.41Å; V158-I359 HydrophobicContact CG1-CG1 3.69Å; F162-I359 HydrophobicContact CD2-CB 4.37Å; F162-I359 HydrophobicContact CD2-CD1 4.37Å; F162-I359 HydrophobicContact CD2-CG1 4.25Å; F162-I359 HydrophobicContact CE2-CB 4.47Å; F162-I359 HydrophobicContact CG-CD1 4.27Å; T344-I359 HydrophobicContact CG2-CD1 3.27Å; I350-I359 HydrophobicContact CD1-CG2 4.26Å; I350-I359 HydrophobicContact CG2-CB 4.34Å; I350-I359 HydrophobicContact CG2-CD1 4.14Å; I350-I359 HydrophobicContact CG2-CG2 4.31Å; D355-I359 PolarHBondContact O-N 2.96Å; I356-I359 WeakPolarHBondContact O-CG2 3.23Å; I356-I359 PolarHBondContact O-N 3.1Å; I357-I359 PolarHBondContact O-N 3.43Å; I359-K361 VanDerWaalsContact C-N 3.31Å; I359-K361 PolarHBondContact O-N 3.01Å; I359-L362 WeakPolarHBondContact O-CB 3.48Å; I359-L362 PolarHBondContact O-N 3.45Å; I359-L362 VanDerWaalsContact O-N 3.13Å
360V94.8Very high91.1Very high6 Ų646 Ų464%0.03623%0.228CC..Hα-helixtrans-63.3-39.3174.3170.30000110.4I356 I357 L362 T363 Y366 I377 V381I356-V360 HydrophobicContact CG2-CG2 4.31Å; I356-V360 WeakPolarHBondContact O-CB 3.33Å; I356-V360 WeakPolarHBondContact O-CG2 3.23Å; I356-V360 PolarHBondContact O-N 3.01Å; I357-V360 PolarHBondContact O-N 3.44Å; V360-L362 PolarHBondContact O-N 2.85Å; V360-L362 VanDerWaalsContact O-N 3.09Å; V360-T363 WeakPolarHBondContact O-CB 3.28Å; V360-T363 WeakPolarHBondContact O-CG2 3.49Å; V360-T363 PolarHBondContact O-N 3.31Å; V360-T363 PolarHBondContact O-OG1 3.34Å; V360-Y366 HydrophobicContact CG1-CD2 4.34Å; V360-Y366 WeakPolarHBondContact O-CB 3.46Å; V360-I377 HydrophobicContact CG1-CG2 3.67Å; V360-V381 HydrophobicContact CG1-CG2 4.08Å; V360-V381 HydrophobicContact CG2-CG1 4.46Å; V360-V381 HydrophobicContact CG2-CG2 3.73Å
361K93.7Very high89.5Confident95 Ų9552.8 Ų52.841%0.41326%0.26SS..THydrogen-bonded Turntrans-60.2-19.1175.2-78.4178.1175.7-177.80114.4I357 Q358 I359 Y366I357-K361 HydrophobicContact CG2-CD 4.04Å; I357-K361 HydrophobicContact CG2-CG 4.44Å; I357-K361 WeakPolarHBondContact O-CB 3.42Å; I357-K361 VanDerWaalsContact O-CG 3.27Å; I357-K361 WeakPolarHBondContact O-CG 3.29Å; I357-K361 PolarHBondContact O-N 3.27Å; Q358-K361 PolarHBondContact O-N 3.13Å; I359-K361 VanDerWaalsContact C-N 3.31Å; I359-K361 PolarHBondContact O-N 3.01Å; K361-Y366 HydrophobicContact CB-CD1 4.37Å; K361-Y366 HydrophobicContact CB-CE1 4.39Å; K361-Y366 HydrophobicContact CG-CD1 4.27Å; K361-Y366 HydrophobicContact CG-CD2 4.07Å; K361-Y366 HydrophobicContact CG-CE1 3.95Å; K361-Y366 HydrophobicContact CG-CE2 3.72Å; K361-Y366 HydrophobicContact CG-CG 4.34Å
362L95.5Very high87.9Confident20 Ų2051.1 Ų51.111%0.10526%0.261CS..THydrogen-bonded Turntrans-87.6-8.8174.9-63.4177.2000113.3V158 M161 F162 F185 I359 V360V158-L362 HydrophobicContact CG1-CB 4.21Å; M161-L362 HydrophobicContact CB-CD1 4.46Å; M161-L362 HydrophobicContact CE-CB 4.15Å; M161-L362 VanDerWaalsContact CE-O 3.25Å; M161-L362 WeakPolarHBondContact CE-O 3.3Å; F162-L362 HydrophobicContact CB-CD1 3.84Å; F162-L362 HydrophobicContact CD2-CD1 3.84Å; F162-L362 HydrophobicContact CG-CD1 4.35Å; F185-L362 WeakPolarHBondContact CD2-O 3.45Å; F185-L362 WeakPolarHBondContact CE2-O 3.48Å; I359-L362 WeakPolarHBondContact O-CB 3.48Å; I359-L362 PolarHBondContact O-N 3.45Å; I359-L362 VanDerWaalsContact O-N 3.13Å; V360-L362 PolarHBondContact O-N 2.85Å; V360-L362 VanDerWaalsContact O-N 3.09Å
363T95.7Very high86.7Confident0 Ų056.4 Ų56.40%028%0.281CS..SBendtrans-77.4152.9-177.465.20000112.1V158 L329 L340 V360 L365 Y366 V367V158-T363 HydrophobicContact CG1-CG2 4.4Å; V158-T363 HydrophobicContact CG2-CG2 3.98Å; L329-T363 HydrophobicContact CD1-CG2 3.61Å; L340-T363 HydrophobicContact CD2-CG2 3.7Å; V360-T363 WeakPolarHBondContact O-CB 3.28Å; V360-T363 WeakPolarHBondContact O-CG2 3.49Å; V360-T363 PolarHBondContact O-N 3.31Å; V360-T363 PolarHBondContact O-OG1 3.34Å; T363-L365 PolarHBondContact O-N 3.28Å; T363-Y366 PolarHBondContact O-N 3.21Å; T363-Y366 WeakPolarHBondContact OG1-CB 3.43Å; T363-Y366 PolarHBondContact OG1-N 2.95Å; T363-V367 PolarHBondContact O-N 3.1Å
364L93.9Very high86Confident0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-65.3-33.2170.417961.6000109.6I143 E154 H181 L182 F185 Y366 V367 Q368I143-L364 HydrophobicContact CG2-CD2 3.61Å; E154-L364 HydrophobicContact CG-CB 4.42Å; E154-L364 WeakPolarHBondContact OE1-CB 3.42Å; E154-L364 PolarHBondContact OE1-N 3.3Å; H181-L364 HydrophobicContact CB-CD1 4.24Å; L182-L364 HydrophobicContact CD2-CD1 4.16Å; L182-L364 HydrophobicContact CD2-CD2 3.91Å; F185-L364 HydrophobicContact CB-CB 4.4Å; F185-L364 HydrophobicContact CB-CD1 3.79Å; F185-L364 HydrophobicContact CD1-CB 4.03Å; F185-L364 HydrophobicContact CD1-CD1 4.28Å; F185-L364 HydrophobicContact CD2-CB 3.86Å; F185-L364 HydrophobicContact CE1-CB 4.26Å; F185-L364 HydrophobicContact CE2-CB 4.09Å; F185-L364 VanDerWaalsContact CE2-N 3.31Å; F185-L364 HydrophobicContact CG-CB 3.83Å; F185-L364 HydrophobicContact CG-CD1 4.06Å; F185-L364 HydrophobicContact CZ-CB 4.28Å; L364-Y366 VanDerWaalsContact C-N 3.3Å; L364-Y366 PolarHBondContact O-N 2.81Å; L364-V367 PolarHBondContact O-N 2.92Å; L364-Q368 HydrophobicContact CD1-CG 4.06Å; L364-Q368 HydrophobicContact CG-CG 4.25Å; L364-Q368 WeakPolarHBondContact O-CG 3.4Å; L364-Q368 PolarHBondContact O-N 3.29Å
365L92.3Very high85.5Confident8 Ų857.7 Ų57.74%0.04228%0.282CS..Hα-helixtrans-51.4-50.1172.717959.9000111.3E154 S327 L329 L330 T363 Q368 C369E154-L365 PolarHBondContact OE1-N 3.05Å; S327-L365 WeakPolarHBondContact OG-CB 3.38Å; L329-L365 HydrophobicContact CB-CD2 4.29Å; L329-L365 HydrophobicContact CD1-CB 4.17Å; L330-L365 HydrophobicContact CD1-CD1 3.65Å; L330-L365 HydrophobicContact CD2-CD1 4.31Å; L330-L365 HydrophobicContact CD2-CD2 3.84Å; L330-L365 HydrophobicContact CG-CD1 3.77Å; L330-L365 HydrophobicContact CG-CD2 4.11Å; T363-L365 PolarHBondContact O-N 3.28Å; L365-Q368 PolarHBondContact O-N 2.85Å; L365-C369 VanDerWaalsContact O-CB 3.31Å; L365-C369 WeakPolarHBondContact O-CB 3.49Å; L365-C369 PolarHBondContact O-N 3.33Å; L365-C369 PolarHBondContact O-SG 2.9Å
366Y93.5Very high85Confident42 Ų4261 Ų6117%0.16530%0.296CS..Hα-helixtrans-65.2-41.1179.8-179.3-88000112.7V360 K361 T363 L364 Q368 C369 K370 I377V360-Y366 HydrophobicContact CG1-CD2 4.34Å; V360-Y366 WeakPolarHBondContact O-CB 3.46Å; K361-Y366 HydrophobicContact CB-CD1 4.37Å; K361-Y366 HydrophobicContact CB-CE1 4.39Å; K361-Y366 HydrophobicContact CG-CD1 4.27Å; K361-Y366 HydrophobicContact CG-CD2 4.07Å; K361-Y366 HydrophobicContact CG-CE1 3.95Å; K361-Y366 HydrophobicContact CG-CE2 3.72Å; K361-Y366 HydrophobicContact CG-CG 4.34Å; T363-Y366 PolarHBondContact O-N 3.21Å; T363-Y366 WeakPolarHBondContact OG1-CB 3.43Å; T363-Y366 PolarHBondContact OG1-N 2.95Å; L364-Y366 VanDerWaalsContact C-N 3.3Å; L364-Y366 PolarHBondContact O-N 2.81Å; Y366-Q368 VanDerWaalsContact C-N 3.28Å; Y366-Q368 PolarHBondContact O-N 2.84Å; Y366-C369 PolarHBondContact O-N 2.86Å; Y366-K370 WeakPolarHBondContact O-CB 3.41Å; Y366-K370 PolarHBondContact O-N 3.46Å; Y366-I377 HydrophobicContact CD2-CD1 3.52Å; Y366-I377 HydrophobicContact CD2-CG2 4.43Å; Y366-I377 HydrophobicContact CE2-CD1 4.02Å; Y366-I377 HydrophobicContact CG-CD1 4.24Å
367V91.7Very high84.8Confident21 Ų2161 Ų6113%0.12730%0.297CS..Hα-helixtrans-60-42.1177.6174.40000111.1H181 V184 F185 T363 L364H181-V367 HydrophobicContact CB-CG1 4.25Å; V184-V367 HydrophobicContact CB-CG1 4Å; V184-V367 HydrophobicContact CG1-CG1 3.9Å; V184-V367 HydrophobicContact CG1-CG2 3.96Å; F185-V367 HydrophobicContact CB-CG2 4.17Å; T363-V367 PolarHBondContact O-N 3.1Å; L364-V367 PolarHBondContact O-N 2.92Å
368Q88.3Confident84.7Confident31 Ų3160.8 Ų60.815%0.14530%0.296CS..Hα-helixtrans-76.5-35.7-178.6-69.4177.9-25.700112.7N178 H181 C325 L364 L365 Y366N178-Q368 PolarHBondContact ND2-NE2 2.98Å; H181-Q368 HydrophobicContact CB-CG 4.44Å; C325-Q368 PolarHBondContact O-NE2 3.3Å; L364-Q368 HydrophobicContact CD1-CG 4.06Å; L364-Q368 HydrophobicContact CG-CG 4.25Å; L364-Q368 WeakPolarHBondContact O-CG 3.4Å; L364-Q368 PolarHBondContact O-N 3.29Å; L365-Q368 PolarHBondContact O-N 2.85Å; Y366-Q368 VanDerWaalsContact C-N 3.28Å; Y366-Q368 PolarHBondContact O-N 2.84Å
369C84.8Confident84.5Confident21 Ų2158.1 Ų58.114%0.14229%0.289CS..Hα-helixtrans-80.5-12.4175.7-70.30000113.1L365 Y366 E371 S372 I377L365-C369 VanDerWaalsContact O-CB 3.31Å; L365-C369 WeakPolarHBondContact O-CB 3.49Å; L365-C369 PolarHBondContact O-N 3.33Å; L365-C369 PolarHBondContact O-SG 2.9Å; Y366-C369 PolarHBondContact O-N 2.86Å; C369-E371 PolarHBondContact O-N 3.25Å; C369-S372 CarbonylContact O-C 3.59Å; C369-S372 VanDerWaalsContact O-C 3.27Å; C369-S372 WeakPolarHBondContact O-CA 3.42Å; C369-S372 PolarHBondContact O-N 3.22Å; C369-I377 HydrophobicContact CB-CD1 3.39Å; C369-I377 HydrophobicContact CB-CG1 3.47Å; C369-I377 VanDerWaalsContact CB-CG1 3.47Å
370K72.6Confident84.3Confident162 Ų16259.6 Ų59.670%0.70430%0.297SS*.THydrogen-bonded Turntrans-58.2-21.4174.2-166.2-178.7176.4-171.10112.2Y366 S372Y366-K370 WeakPolarHBondContact O-CB 3.41Å; Y366-K370 PolarHBondContact O-N 3.46Å; K370-S372 VanDerWaalsContact C-N 3.29Å
371E60.1Low84.2Confident144 Ų14460 Ų6067%0.67330%0.299SS*.THydrogen-bonded Turntrans-76.2-10.3172.7-62.2178.9-174.700113.3H181 C369H181-E371 IonicContact CD2-OE1 3.44Å; H181-E371 IonicContact CE1-OE1 2.67Å; H181-E371 IonicContact NE2-OE1 3.13Å; H181-E371 PolarHBondContact NE2-OE1 3.1Å; C369-E371 PolarHBondContact O-N 3.25Å
372S55.6Low84.2Confident65 Ų6560.7 Ų60.746%0.45530%0.304SS..SBendtrans-138.5105-177.6-54.60000110.5C369 K370C369-S372 CarbonylContact O-C 3.59Å; C369-S372 VanDerWaalsContact O-C 3.27Å; C369-S372 WeakPolarHBondContact O-CA 3.42Å; C369-S372 PolarHBondContact O-N 3.22Å; K370-S372 VanDerWaalsContact C-N 3.29Å
373E65.4Low84.2Confident153 Ų15365.8 Ų65.872%0.71533%0.327SS*.  trans9.2116.9179.4-62.6-174-177.600118.8N375 E376E373-N375 PolarHBondContact O-N 3.3Å; E373-E376 PolarHBondContact O-N 3.35Å
374E72.7Confident84.2Confident109 Ų10966 Ų6651%0.50933%0.33SS..Hα-helixtrans-48.7-21.7178.3-169.4171.6-172.800114.9E376 N378E374-E376 VanDerWaalsContact C-N 3.34Å; E374-E376 PolarHBondContact O-N 2.86Å; E374-N378 PolarHBondContact O-N 3.04Å; E374-N378 PolarHBondContact O-ND2 2.9Å; E374-N378 VanDerWaalsContact O-ND2 3.08Å
375N78.6Confident84.2Confident120 Ų12067.6 Ų67.664%0.64234%0.338SS*.Hα-helixtrans-61.8-35.8174.6-69.4-29.4000113.5E373 N378 S379E373-N375 PolarHBondContact O-N 3.3Å; N375-N378 PolarHBondContact O-N 3.5Å; N375-S379 PolarHBondContact O-N 2.77Å
376E84.1Confident84.3Confident109 Ų10973.8 Ų73.851%0.50936%0.364SS..Hα-helixtrans-67.1-47.6-177.9-170.7178.3-179.800111E373 E374 N378 S379 I380E373-E376 PolarHBondContact O-N 3.35Å; E374-E376 VanDerWaalsContact C-N 3.34Å; E374-E376 PolarHBondContact O-N 2.86Å; E376-N378 VanDerWaalsContact C-N 3.31Å; E376-N378 PolarHBondContact O-N 3.24Å; E376-S379 WeakPolarHBondContact O-CB 3.5Å; E376-S379 PolarHBondContact O-N 2.8Å; E376-S379 VanDerWaalsContact O-N 3.15Å; E376-I380 HydrophobicContact CG-CD1 4.14Å; E376-I380 WeakPolarHBondContact O-CG1 3.24Å; E376-I380 PolarHBondContact O-N 2.85Å
377I87.9Confident84.4Confident6 Ų674.1 Ų74.13%0.03137%0.367CS..Hα-helixtrans-59.3-45177.5-56.4172.7000110.4V360 Y366 C369 S379 I380 V381V360-I377 HydrophobicContact CG1-CG2 3.67Å; Y366-I377 HydrophobicContact CD2-CD1 3.52Å; Y366-I377 HydrophobicContact CD2-CG2 4.43Å; Y366-I377 HydrophobicContact CE2-CD1 4.02Å; Y366-I377 HydrophobicContact CG-CD1 4.24Å; C369-I377 HydrophobicContact CB-CD1 3.39Å; C369-I377 HydrophobicContact CB-CG1 3.47Å; C369-I377 VanDerWaalsContact CB-CG1 3.47Å; I377-S379 VanDerWaalsContact C-N 3.3Å; I377-S379 PolarHBondContact O-N 3.36Å; I377-I380 PolarHBondContact O-N 3.41Å; I377-V381 HydrophobicContact CG2-CG2 4.21Å; I377-V381 VanDerWaalsContact O-CG2 3.27Å; I377-V381 WeakPolarHBondContact O-CG2 3.27Å; I377-V381 PolarHBondContact O-N 3.34Å
378N88.6Confident84.7Confident56 Ų5673.1 Ų73.130%0.29936%0.361SS..Hα-helixtrans-60.3-40.7178.6-78.1-41000111.9E374 N375 E376 Q382E374-N378 PolarHBondContact O-N 3.04Å; E374-N378 PolarHBondContact O-ND2 2.9Å; E374-N378 VanDerWaalsContact O-ND2 3.08Å; N375-N378 PolarHBondContact O-N 3.5Å; E376-N378 VanDerWaalsContact C-N 3.31Å; E376-N378 PolarHBondContact O-N 3.24Å; N378-Q382 WeakPolarHBondContact O-CB 3.22Å; N378-Q382 WeakPolarHBondContact O-CG 3.44Å; N378-Q382 PolarHBondContact O-N 2.97Å
379S90.1Very high85Confident52 Ų5274.6 Ų74.636%0.36437%0.369SS..Hα-helixtrans-62.3-47.5174.9-175.80000111.6N375 E376 I377 V381 Q382 Q383N375-S379 PolarHBondContact O-N 2.77Å; E376-S379 WeakPolarHBondContact O-CB 3.5Å; E376-S379 PolarHBondContact O-N 2.8Å; E376-S379 VanDerWaalsContact O-N 3.15Å; I377-S379 VanDerWaalsContact C-N 3.3Å; I377-S379 PolarHBondContact O-N 3.36Å; S379-V381 PolarHBondContact O-N 2.68Å; S379-Q382 PolarHBondContact O-N 3.41Å; S379-Q383 VanDerWaalsContact O-CG 3.3Å; S379-Q383 WeakPolarHBondContact O-CG 3.43Å; S379-Q383 PolarHBondContact O-N 3.28Å; S379-Q383 PolarHBondContact OG-NE2 3.43Å
380I90.7Very high85.5Confident32 Ų3278.4 Ų78.416%0.16439%0.388CS..Hα-helixtrans-60.8-45.2179.4-65.2168.3000111.1L330 L337 E376 I377 Q383 A384L330-I380 HydrophobicContact CD1-CD1 4.43Å; L330-I380 HydrophobicContact CD2-CD1 4.33Å; L330-I380 HydrophobicContact CD2-CG2 3.68Å; L337-I380 HydrophobicContact CD2-CG2 3.63Å; E376-I380 HydrophobicContact CG-CD1 4.14Å; E376-I380 WeakPolarHBondContact O-CG1 3.24Å; E376-I380 PolarHBondContact O-N 2.85Å; I377-I380 PolarHBondContact O-N 3.41Å; I380-Q383 PolarHBondContact O-N 3.37Å; I380-A384 PolarHBondContact O-N 2.86Å
381V93.2Very high86.5Confident14 Ų1472.3 Ų72.39%0.08536%0.362CS..Hα-helixtrans-63.7-42.1178.21720000111.1L337 I356 V360 I377 S379 A384 L385L337-V381 HydrophobicContact CD2-CG2 4.15Å; I356-V381 HydrophobicContact CG2-CG1 3.46Å; I356-V381 VanDerWaalsContact CG2-CG1 3.46Å; V360-V381 HydrophobicContact CG1-CG2 4.08Å; V360-V381 HydrophobicContact CG2-CG1 4.46Å; V360-V381 HydrophobicContact CG2-CG2 3.73Å; I377-V381 HydrophobicContact CG2-CG2 4.21Å; I377-V381 VanDerWaalsContact O-CG2 3.27Å; I377-V381 WeakPolarHBondContact O-CG2 3.27Å; I377-V381 PolarHBondContact O-N 3.34Å; S379-V381 PolarHBondContact O-N 2.68Å; V381-A384 PolarHBondContact O-N 3.38Å; V381-L385 PolarHBondContact O-N 3.26Å
382Q93.4Very high88.1Confident110 Ų11072.7 Ų72.751%0.51436%0.362SS..Hα-helixtrans-63.5-40.7176.1-75.3176.118.200112.1N378 S379 L385 K386N378-Q382 WeakPolarHBondContact O-CB 3.22Å; N378-Q382 WeakPolarHBondContact O-CG 3.44Å; N378-Q382 PolarHBondContact O-N 2.97Å; S379-Q382 PolarHBondContact O-N 3.41Å; Q382-L385 PolarHBondContact O-N 3.45Å; Q382-K386 VanDerWaalsContact O-CB 3.3Å; Q382-K386 WeakPolarHBondContact O-CB 3.45Å; Q382-K386 PolarHBondContact O-N 3.28Å
383Q94.6Very high90.1Very high126 Ų12669.6 Ų69.659%0.58934%0.34SS*.Hα-helixtrans-63.3-43.4175.4-70.61742300111.6S379 I380 K386 F387S379-Q383 VanDerWaalsContact O-CG 3.3Å; S379-Q383 WeakPolarHBondContact O-CG 3.43Å; S379-Q383 PolarHBondContact O-N 3.28Å; S379-Q383 PolarHBondContact OG-NE2 3.43Å; I380-Q383 PolarHBondContact O-N 3.37Å; Q383-K386 PolarHBondContact O-N 3.16Å; Q383-F387 WeakPolarHBondContact O-CB 3.46Å; Q383-F387 PolarHBondContact O-N 3.41Å
384A95.2Very high91.5Very high6 Ų662.4 Ų62.45%0.0531%0.306CS..Hα-helixtrans-61.9-44.4175.700000111.7L337 K338 L341 I380 V381 F387 L388L337-A384 HydrophobicContact CD2-CB 4.05Å; L337-A384 HydrophobicContact CG-CB 4.19Å; K338-A384 HydrophobicContact CG-CB 4.05Å; L341-A384 HydrophobicContact CD1-CB 3.97Å; I380-A384 PolarHBondContact O-N 2.86Å; V381-A384 PolarHBondContact O-N 3.38Å; A384-F387 WeakPolarHBondContact O-CB 3.03Å; A384-F387 PolarHBondContact O-N 2.93Å; A384-L388 WeakPolarHBondContact O-CG 3.18Å; A384-L388 PolarHBondContact O-N 2.7Å; A384-L388 VanDerWaalsContact O-N 3.09Å
385L94.5Very high92.5Very high33 Ų3359.8 Ų59.817%0.17330%0.298CS..Hα-helixtrans-65.4-43177.2-176.164.2000112.2I356 V381 Q382 F387 L388 L389 V394 I401I356-L385 HydrophobicContact CD1-CD2 4.25Å; V381-L385 PolarHBondContact O-N 3.26Å; Q382-L385 PolarHBondContact O-N 3.45Å; L385-F387 VanDerWaalsContact C-N 3.27Å; L385-F387 PolarHBondContact O-N 2.96Å; L385-L388 PolarHBondContact O-N 2.98Å; L385-L388 VanDerWaalsContact O-N 3.16Å; L385-L389 HydrophobicContact CG-CD1 4.24Å; L385-L389 PolarHBondContact O-N 2.89Å; L385-V394 HydrophobicContact CD1-CG2 4.39Å; L385-I401 HydrophobicContact CD1-CD1 4Å; L385-I401 HydrophobicContact CD1-CG2 4.29Å; L385-I401 HydrophobicContact CD2-CD1 3.82Å
386K95.5Very high93.2Very high137 Ų13758 Ų5860%0.59629%0.291SS*.Hα-helixtrans-59.2-40175.5-174.4178.6-178.2179.20111.2Q382 Q383 L389 N390Q382-K386 VanDerWaalsContact O-CB 3.3Å; Q382-K386 WeakPolarHBondContact O-CB 3.45Å; Q382-K386 PolarHBondContact O-N 3.28Å; Q383-K386 PolarHBondContact O-N 3.16Å; K386-L389 PolarHBondContact O-N 3.07Å; K386-N390 WeakPolarHBondContact O-CB 3Å; K386-N390 PolarHBondContact O-N 3.34Å
387F95.9Very high93.4Very high49 Ų4959.2 Ų59.222%0.21530%0.295CS..Hα-helixtrans-60.5-49.5173.5176.2-89.9000111.6K338 Q383 A384 L385 L389 N390 E391 V417 D418K338-F387 HydrophobicContact CD-CD1 3.57Å; K338-F387 HydrophobicContact CD-CE1 3.77Å; K338-F387 HydrophobicContact CD-CG 4.13Å; K338-F387 HydrophobicContact CD-CZ 4.46Å; K338-F387 HydrophobicContact CG-CD1 4.1Å; Q383-F387 WeakPolarHBondContact O-CB 3.46Å; Q383-F387 PolarHBondContact O-N 3.41Å; A384-F387 WeakPolarHBondContact O-CB 3.03Å; A384-F387 PolarHBondContact O-N 2.93Å; L385-F387 VanDerWaalsContact C-N 3.27Å; L385-F387 PolarHBondContact O-N 2.96Å; F387-L389 VanDerWaalsContact C-N 3.29Å; F387-L389 PolarHBondContact O-N 2.81Å; F387-N390 PolarHBondContact O-N 3.42Å; F387-E391 HydrophobicContact CD1-CG 4.24Å; F387-E391 HydrophobicContact CD2-CG 4.31Å; F387-E391 HydrophobicContact CE1-CG 3.8Å; F387-E391 HydrophobicContact CE2-CG 3.87Å; F387-E391 HydrophobicContact CG-CG 4.48Å; F387-E391 HydrophobicContact CZ-CG 3.6Å; F387-E391 WeakPolarHBondContact O-CB 3.34Å; F387-E391 WeakPolarHBondContact O-CG 3.31Å; F387-E391 PolarHBondContact O-N 3.13Å; F387-V417 HydrophobicContact CE1-CB 4.3Å; F387-V417 HydrophobicContact CE1-CG2 4.25Å; F387-D418 VanDerWaalsContact CZ-OD1 3.24Å; F387-D418 WeakPolarHBondContact CZ-OD1 3.4Å
388L96.1Very high93.3Very high0 Ų068.1 Ų68.10%034%0.337CS..Hα-helixtrans-61.4-36.6179.8-63.9177.5000112.8K338 L341 L342 A384 L385 K392 L393 V394 V417K338-L388 HydrophobicContact CB-CD2 4.35Å; L341-L388 HydrophobicContact CB-CD1 3.97Å; L342-L388 HydrophobicContact CB-CD1 4.13Å; L342-L388 HydrophobicContact CB-CD2 4.15Å; L342-L388 HydrophobicContact CD1-CD2 4.42Å; L342-L388 HydrophobicContact CD2-CD2 4.5Å; A384-L388 WeakPolarHBondContact O-CG 3.18Å; A384-L388 PolarHBondContact O-N 2.7Å; A384-L388 VanDerWaalsContact O-N 3.09Å; L385-L388 PolarHBondContact O-N 2.98Å; L385-L388 VanDerWaalsContact O-N 3.16Å; L388-K392 PolarHBondContact O-N 3.25Å; L388-L393 HydrophobicContact CD2-CB 4.45Å; L388-L393 HydrophobicContact CD2-CD1 3.93Å; L388-L393 PolarHBondContact O-N 3.4Å; L388-V394 HydrophobicContact CB-CG1 4.46Å; L388-V394 HydrophobicContact CB-CG2 3.72Å; L388-V394 PolarHBondContact O-N 2.8Å; L388-V417 HydrophobicContact CD2-CG1 4.35Å
389L94.9Very high93.1Very high62 Ų6272.7 Ų72.733%0.32536%0.361SS..Hα-helixtrans-67.5-48.2174.4-74.8165.1000111.7L385 K386 F387 E391 K392 V394L385-L389 HydrophobicContact CG-CD1 4.24Å; L385-L389 PolarHBondContact O-N 2.89Å; K386-L389 PolarHBondContact O-N 3.07Å; F387-L389 VanDerWaalsContact C-N 3.29Å; F387-L389 PolarHBondContact O-N 2.81Å; L389-E391 VanDerWaalsContact C-N 3.25Å; L389-E391 PolarHBondContact O-N 2.98Å; L389-K392 WeakPolarHBondContact O-CA 3.41Å; L389-K392 PolarHBondContact O-N 2.99Å; L389-V394 HydrophobicContact CD2-CG2 3.88Å; L389-V394 HydrophobicContact CG-CG2 3.93Å
390N95.5Very high93.2Very high101 Ų10174.3 Ų74.354%0.5436%0.363SS..Hα-helixtrans-62-35.8177.2-73.7-8.4000111.8K386 F387 K392 R421K386-N390 WeakPolarHBondContact O-CB 3Å; K386-N390 PolarHBondContact O-N 3.34Å; F387-N390 PolarHBondContact O-N 3.42Å; N390-K392 PolarHBondContact O-N 3.25Å; N390-R421 PolarHBondContact O-NH2 3.42Å
391E93.9Very high93.3Very high35 Ų3573.8 Ų73.816%0.16436%0.36CS..THydrogen-bonded Turntrans-75-5.6174.8-70.2-52.2112.100113.6F387 L389 L393 R421F387-E391 HydrophobicContact CD1-CG 4.24Å; F387-E391 HydrophobicContact CD2-CG 4.31Å; F387-E391 HydrophobicContact CE1-CG 3.8Å; F387-E391 HydrophobicContact CE2-CG 3.87Å; F387-E391 HydrophobicContact CG-CG 4.48Å; F387-E391 HydrophobicContact CZ-CG 3.6Å; F387-E391 WeakPolarHBondContact O-CB 3.34Å; F387-E391 WeakPolarHBondContact O-CG 3.31Å; F387-E391 PolarHBondContact O-N 3.13Å; L389-E391 VanDerWaalsContact C-N 3.25Å; L389-E391 PolarHBondContact O-N 2.98Å; E391-L393 HydrophobicContact CB-CD1 4.1Å; E391-L393 HydrophobicContact CB-CG 3.92Å; E391-L393 PolarHBondContact O-N 3.43Å; E391-R421 VanDerWaalsContact C-NH2 3.34Å; E391-R421 VanDerWaalsContact CD-CZ 3.43Å; E391-R421 VanDerWaalsContact CD-NH1 3.26Å; E391-R421 PolarHBondContact O-NH2 2.93Å; E391-R421 IonicContact OE1-CZ 3.66Å; E391-R421 IonicContact OE1-NH1 3.57Å; E391-R421 PolarHBondContact OE1-NH1 2.9Å; E391-R421 IonicContact OE1-NH2 3.64Å; E391-R421 IonicContact OE2-CZ 3.05Å; E391-R421 IonicContact OE2-NE 2.95Å; E391-R421 PolarHBondContact OE2-NE 3.41Å; E391-R421 IonicContact OE2-NH1 2.76Å; E391-R421 PolarHBondContact OE2-NH1 3.17Å; E391-R421 IonicContact OE2-NH2 3.67Å
392K94.3Very high93.3Very high151 Ų15175.4 Ų75.466%0.65737%0.37SS*.THydrogen-bonded Turntrans58.228.6-175.8-55.2-177.3179.2-178.70113.1L388 L389 N390 S404L388-K392 PolarHBondContact O-N 3.25Å; L389-K392 WeakPolarHBondContact O-CA 3.41Å; L389-K392 PolarHBondContact O-N 2.99Å; N390-K392 PolarHBondContact O-N 3.25Å; K392-S404 VanDerWaalsContact O-CB 3.28Å; K392-S404 WeakPolarHBondContact O-CB 3.36Å; K392-S404 PolarHBondContact O-OG 2.97Å
393L96.3Very high93.4Very high0 Ų071.5 Ų71.50%035%0.353CS..SBendtrans-82.7-25.6175-59.1-179.9000111.4L342 L388 E391 S404 L406 G407 V410 V417L342-L393 HydrophobicContact CD1-CB 3.78Å; L342-L393 HydrophobicContact CD2-CB 4.41Å; L342-L393 HydrophobicContact CD2-CD1 4.02Å; L388-L393 HydrophobicContact CD2-CB 4.45Å; L388-L393 HydrophobicContact CD2-CD1 3.93Å; L388-L393 PolarHBondContact O-N 3.4Å; E391-L393 HydrophobicContact CB-CD1 4.1Å; E391-L393 HydrophobicContact CB-CG 3.92Å; E391-L393 PolarHBondContact O-N 3.43Å; L393-S404 WeakPolarHBondContact CA-OG 3.47Å; L393-S404 PolarHBondContact O-N 3.47Å; L393-S404 PolarHBondContact O-OG 3.27Å; L393-S404 VanDerWaalsContact O-OG 3.12Å; L393-L406 HydrophobicContact CD2-CB 4.49Å; L393-L406 HydrophobicContact CD2-CD2 3.86Å; L393-L406 HydrophobicContact CD2-CG 3.73Å; L393-G407 WeakPolarHBondContact O-CA 3.44Å; L393-V410 HydrophobicContact CD2-CG2 4Å; L393-V417 HydrophobicContact CD1-CB 4.06Å; L393-V417 HydrophobicContact CD1-CG1 3.96Å
394V95.8Very high93.4Very high2 Ų266.1 Ų66.11%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-133160.3171.6-57.50000109.7L342 I345 L385 L388 L389 I401 V402L342-V394 HydrophobicContact CD1-CG1 3.71Å; I345-V394 HydrophobicContact CD1-CG1 4.01Å; I345-V394 HydrophobicContact CG2-CG1 4.13Å; L385-V394 HydrophobicContact CD1-CG2 4.39Å; L388-V394 HydrophobicContact CB-CG1 4.46Å; L388-V394 HydrophobicContact CB-CG2 3.72Å; L388-V394 PolarHBondContact O-N 2.8Å; L389-V394 HydrophobicContact CD2-CG2 3.88Å; L389-V394 HydrophobicContact CG-CG2 3.93Å; V394-I401 HydrophobicContact CB-CG2 4Å; V394-I401 HydrophobicContact CG2-CG2 4.09Å; V394-V402 CarbonylContact C-O 3.48Å; V394-V402 WeakPolarHBondContact CA-O 3.13Å
395T94.4Very high93.3Very high55 Ų5570.2 Ų70.234%0.33736%0.355SS..EExtended strand (participates in β ladder)trans-139.3154177.555.40000109.7V402T395-V402 PolarHBondContact N-O 3.34Å; T395-V402 PolarHBondContact O-N 3.34Å
396T91.7Very high93.4Very high81 Ų8169.7 Ų69.750%0.49735%0.352SS..EExtended strand (participates in β ladder)trans-95.5130.9173.9-470000110E400T396-E400 CarbonylContact C-O 3.56Å; T396-E400 VanDerWaalsContact CA-O 3.31Å; T396-E400 WeakPolarHBondContact CA-O 3.38Å
397K89.3Confident93.4Very high135 Ų13563.1 Ų63.159%0.58732%0.324SS*.EExtended strand (participates in β ladder)trans-133.7124172.1-70-173.5176.3-174.20108.3D399 E400 V402K397-D399 VanDerWaalsContact C-N 3.25Å; K397-D399 PolarHBondContact O-N 2.83Å; K397-E400 PolarHBondContact N-O 2.91Å; K397-E400 WeakPolarHBondContact O-CA 3.46Å; K397-E400 WeakPolarHBondContact O-CB 3.43Å; K397-E400 PolarHBondContact O-N 2.91Å; K397-V402 HydrophobicContact CB-CG2 4.23Å; K397-V402 HydrophobicContact CD-CG2 4.5Å
398E85.8Confident93.3Very high194 Ų19461.7 Ų61.791%0.90732%0.32SS*.THydrogen-bonded Turntrans50.545176.3-59.2176.3-176.300112.8E400E398-E400 PolarHBondContact O-N 3.06Å
399D84Confident93.2Very high151 Ų15161.7 Ų61.781%0.80732%0.32SS*.THydrogen-bonded Turntrans62.3-0.4-173.8-62.4-33.7000116.8K397K397-D399 VanDerWaalsContact C-N 3.25Å; K397-D399 PolarHBondContact O-N 2.83Å
400E91.7Very high93.1Very high87 Ų8758.9 Ų58.941%0.40731%0.306SS..EExtended strand (participates in β ladder)trans-88.6143.8168.5-63-163.8159.800111.8K351 T396 K397 E398 V402K351-E400 HydrophobicContact CB-CG 4.49Å; K351-E400 CarbonylContact O-C 3.57Å; K351-E400 WeakPolarHBondContact O-CA 2.98Å; T396-E400 CarbonylContact C-O 3.56Å; T396-E400 VanDerWaalsContact CA-O 3.31Å; T396-E400 WeakPolarHBondContact CA-O 3.38Å; K397-E400 PolarHBondContact N-O 2.91Å; K397-E400 WeakPolarHBondContact O-CA 3.46Å; K397-E400 WeakPolarHBondContact O-CB 3.43Å; K397-E400 PolarHBondContact O-N 2.91Å; E398-E400 PolarHBondContact O-N 3.06Å; E400-V402 HydrophobicContact CB-CG2 4.38Å
401I93.3Very high92.8Very high20 Ų2055.6 Ų55.610%0.10329%0.29CS..EExtended strand (participates in β ladder)trans-92.7115.1173.6-57.9162000107.7I345 K351 I356 L385 V394I345-I401 HydrophobicContact CD1-CG2 3.77Å; I345-I401 HydrophobicContact CG1-CG2 4.41Å; I345-I401 HydrophobicContact CG2-CG2 4.28Å; K351-I401 PolarHBondContact O-N 2.84Å; I356-I401 HydrophobicContact CD1-CD1 3.47Å; I356-I401 VanDerWaalsContact CD1-CD1 3.47Å; L385-I401 HydrophobicContact CD1-CD1 4Å; L385-I401 HydrophobicContact CD1-CG2 4.29Å; L385-I401 HydrophobicContact CD2-CD1 3.82Å; V394-I401 HydrophobicContact CB-CG2 4Å; V394-I401 HydrophobicContact CG2-CG2 4.09Å
402V94.3Very high92.5Very high48 Ų4856.4 Ų56.429%0.29129%0.294SS..EExtended strand (participates in β ladder)trans-116.1141.2-175.4-172.10000109.7V394 T395 K397 E400V394-V402 CarbonylContact C-O 3.48Å; V394-V402 WeakPolarHBondContact CA-O 3.13Å; T395-V402 PolarHBondContact N-O 3.34Å; T395-V402 PolarHBondContact O-N 3.34Å; K397-V402 HydrophobicContact CB-CG2 4.23Å; K397-V402 HydrophobicContact CD-CG2 4.5Å; E400-V402 HydrophobicContact CB-CG2 4.38Å
403I95.1Very high92.2Very high29 Ų2949.4 Ų49.415%0.14926%0.264CS..EExtended strand (participates in β ladder)trans-69.1139176.5-162.2156.3000111.5L342 I345 G407 A408 C411L342-I403 HydrophobicContact CD1-CD1 4.09Å; L342-I403 HydrophobicContact CD1-CG1 4.39Å; I345-I403 HydrophobicContact CG2-CB 4.16Å; I403-G407 WeakPolarHBondContact CD1-O 3.47Å; I403-A408 HydrophobicContact CD1-CB 4.35Å; I403-A408 HydrophobicContact CG1-CB 4.37Å; I403-A408 HydrophobicContact CG2-CB 4.39Å; I403-C411 HydrophobicContact CD1-CB 4.38Å
404S94.8Very high91.7Very high12 Ų1252.4 Ų52.48%0.08430%0.295CS..  trans-81165172.1790000111.1K392 L393 L406 G407 A408K392-S404 VanDerWaalsContact O-CB 3.28Å; K392-S404 WeakPolarHBondContact O-CB 3.36Å; K392-S404 PolarHBondContact O-OG 2.97Å; L393-S404 WeakPolarHBondContact CA-OG 3.47Å; L393-S404 PolarHBondContact O-N 3.47Å; L393-S404 PolarHBondContact O-OG 3.27Å; L393-S404 VanDerWaalsContact O-OG 3.12Å; S404-L406 VanDerWaalsContact C-N 3.28Å; S404-L406 PolarHBondContact O-N 3.43Å; S404-L406 PolarHBondContact OG-N 3.12Å; S404-G407 PolarHBondContact O-N 3.29Å; S404-G407 VanDerWaalsContact O-N 3.11Å; S404-G407 PolarHBondContact OG-N 2.95Å; S404-A408 PolarHBondContact O-N 3.14Å
405P93Very high91.3Very high93 Ų9352.7 Ų52.760%0.60430%0.296SS*.Hα-helixtrans-54.7-43.4173.2-26.835.5000112.7A408 A409 M559P405-A408 PolarHBondContact O-N 3.21Å; P405-A409 PolarHBondContact O-N 3.16Å; P405-M559 HydrophobicContact CB-SD 4.37Å
406L95.3Very high90.9Very high21 Ų2151.5 Ų51.511%0.1129%0.288CS..Hα-helixtrans-62.9-45.3174.6178.861.4000111.4L393 S404 A408 A409 V410 H424 F555L393-L406 HydrophobicContact CD2-CB 4.49Å; L393-L406 HydrophobicContact CD2-CD2 3.86Å; L393-L406 HydrophobicContact CD2-CG 3.73Å; S404-L406 VanDerWaalsContact C-N 3.28Å; S404-L406 PolarHBondContact O-N 3.43Å; S404-L406 PolarHBondContact OG-N 3.12Å; L406-A408 VanDerWaalsContact C-N 3.29Å; L406-A408 PolarHBondContact O-N 3.26Å; L406-A409 WeakPolarHBondContact O-CB 3.46Å; L406-A409 PolarHBondContact O-N 3Å; L406-V410 HydrophobicContact CD1-CG2 4.38Å; L406-V410 VanDerWaalsContact O-CG2 3.27Å; L406-V410 WeakPolarHBondContact O-CG2 3.47Å; L406-V410 PolarHBondContact O-N 3.05Å; L406-H424 HydrophobicContact CD1-CB 3.79Å; L406-F555 HydrophobicContact CD1-CE2 3.86Å; L406-F555 HydrophobicContact CD1-CZ 3.55Å
407G95.5Very high90.9Very high0 Ų047.6 Ų47.60%026%0.264CS..Hα-helixtrans-57.8-42.8175.200000112.4L393 I403 S404 A409 V410 C411L393-G407 WeakPolarHBondContact O-CA 3.44Å; I403-G407 WeakPolarHBondContact CD1-O 3.47Å; S404-G407 PolarHBondContact O-N 3.29Å; S404-G407 VanDerWaalsContact O-N 3.11Å; S404-G407 PolarHBondContact OG-N 2.95Å; G407-A409 VanDerWaalsContact C-N 3.35Å; G407-V410 PolarHBondContact O-N 2.85Å; G407-C411 WeakPolarHBondContact O-CB 3.47Å; G407-C411 PolarHBondContact O-N 3.43Å
408A93.4Very high90.8Very high18 Ų1843.7 Ų43.715%0.14925%0.249CC..Hα-helixtrans-63.9-42.4178.300000110.9I403 S404 P405 L406 C411 K412I403-A408 HydrophobicContact CD1-CB 4.35Å; I403-A408 HydrophobicContact CG1-CB 4.37Å; I403-A408 HydrophobicContact CG2-CB 4.39Å; S404-A408 PolarHBondContact O-N 3.14Å; P405-A408 PolarHBondContact O-N 3.21Å; L406-A408 VanDerWaalsContact C-N 3.29Å; L406-A408 PolarHBondContact O-N 3.26Å; A408-C411 PolarHBondContact O-N 2.79Å; A408-K412 WeakPolarHBondContact O-CG 3.31Å; A408-K412 PolarHBondContact O-N 3.43Å
409A93.8Very high90.9Very high0 Ų036.3 Ų36.30%022%0.216CC..Hα-helixtrans-59.5-45.6173.500000112P405 L406 G407 K412 G413 F555 Q558 M559P405-A409 PolarHBondContact O-N 3.16Å; L406-A409 WeakPolarHBondContact O-CB 3.46Å; L406-A409 PolarHBondContact O-N 3Å; G407-A409 VanDerWaalsContact C-N 3.35Å; A409-K412 PolarHBondContact O-N 2.84Å; A409-G413 PolarHBondContact O-N 3.06Å; A409-F555 HydrophobicContact CB-CD1 4.33Å; A409-F555 HydrophobicContact CB-CD2 3.48Å; A409-F555 VanDerWaalsContact CB-CD2 3.48Å; A409-F555 HydrophobicContact CB-CE1 4.35Å; A409-F555 HydrophobicContact CB-CE2 3.52Å; A409-F555 HydrophobicContact CB-CG 3.91Å; A409-F555 HydrophobicContact CB-CZ 3.96Å; A409-F555 WeakPolarHBondContact CB-O 3.4Å; A409-F555 WeakPolarHBondContact O-CD2 3.33Å; A409-Q558 HydrophobicContact CB-CB 3.77Å; A409-M559 HydrophobicContact CB-CG 3.78Å; A409-M559 HydrophobicContact CB-SD 4.01Å
410V94.1Very high91.2Very high3 Ų329.1 Ų29.12%0.01818%0.177CC..Hα-helixtrans-60.2-47.6176.51740000111.1L342 L393 L406 G407 G413 G414 I415 V417 F555L342-V410 HydrophobicContact CD2-CB 4.15Å; L342-V410 HydrophobicContact CD2-CG1 3.67Å; L393-V410 HydrophobicContact CD2-CG2 4Å; L406-V410 HydrophobicContact CD1-CG2 4.38Å; L406-V410 VanDerWaalsContact O-CG2 3.27Å; L406-V410 WeakPolarHBondContact O-CG2 3.47Å; L406-V410 PolarHBondContact O-N 3.05Å; G407-V410 PolarHBondContact O-N 2.85Å; V410-G413 PolarHBondContact O-N 3.23Å; V410-G414 WeakPolarHBondContact O-CA 3.23Å; V410-G414 PolarHBondContact O-N 3.22Å; V410-I415 WeakPolarHBondContact CG1-O 3.38Å; V410-I415 PolarHBondContact O-N 2.7Å; V410-I415 VanDerWaalsContact O-N 3.17Å; V410-V417 HydrophobicContact CG1-CG1 4.12Å; V410-F555 HydrophobicContact CG2-CD2 4.49Å; V410-F555 HydrophobicContact CG2-CE2 3.89Å
411C89.7Confident91.2Very high32 Ų3229.7 Ų29.722%0.21618%0.176CC..Hα-helixtrans-58.7-49.4176.1-83.90000112.9L342 I403 G407 A408 G414L342-C411 VanDerWaalsContact C-SG 3.53Å; L342-C411 PolarHBondContact O-SG 3.35Å; I403-C411 HydrophobicContact CD1-CB 4.38Å; G407-C411 WeakPolarHBondContact O-CB 3.47Å; G407-C411 PolarHBondContact O-N 3.43Å; A408-C411 PolarHBondContact O-N 2.79Å; C411-G414 PolarHBondContact O-N 3.43Å
412K86.5Confident91.1Very high53 Ų5333.3 Ų33.323%0.2319%0.188CC..Hα-helixtrans-71.2-35.2-177.4-67.5-154.7-164-165.80112.3E125 A408 A409 R554 Q558E125-K412 VanDerWaalsContact OE1-CE 3.24Å; E125-K412 WeakPolarHBondContact OE1-CE 3.27Å; E125-K412 IonicContact OE1-NZ 3.61Å; E125-K412 PolarHBondContact OE1-NZ 3.16Å; A408-K412 WeakPolarHBondContact O-CG 3.31Å; A408-K412 PolarHBondContact O-N 3.43Å; A409-K412 PolarHBondContact O-N 2.84Å; K412-R554 WeakPolarHBondContact O-CB 3.28Å; K412-R554 WeakPolarHBondContact O-CD 3.47Å; K412-R554 PolarHBondContact O-NE 2.92Å; K412-Q558 HydrophobicContact CB-CG 4.23Å; K412-Q558 HydrophobicContact CD-CG 3.66Å; K412-Q558 VanDerWaalsContact CE-OE1 3.25Å; K412-Q558 HydrophobicContact CG-CG 4.07Å
413G88.5Confident91.1Very high4 Ų431 Ų314%0.04117%0.174CC..Hα-helixtrans-75.1-21.5175.700000114.4A409 V410 I415 S551A409-G413 PolarHBondContact O-N 3.06Å; V410-G413 PolarHBondContact O-N 3.23Å; G413-I415 PolarHBondContact O-N 3Å; G413-S551 VanDerWaalsContact CA-O 3.27Å; G413-S551 WeakPolarHBondContact CA-O 3.16Å; G413-S551 WeakPolarHBondContact O-CA 3.42Å; G413-S551 WeakPolarHBondContact O-CB 3.35Å; G413-S551 PolarHBondContact O-OG 3.46Å
414G85.3Confident91.1Very high62 Ų6231.1 Ų31.164%0.63917%0.174SC*.THydrogen-bonded Turntrans61.932.4-168.600000111.7V410 C411V410-G414 WeakPolarHBondContact O-CA 3.23Å; V410-G414 PolarHBondContact O-N 3.22Å; C411-G414 PolarHBondContact O-N 3.43Å
415I88.6Confident91Very high8 Ų832.9 Ų32.94%0.04119%0.186CC..  trans-78.8142.7177.2-59.7-168.9000108.4V410 G413 V417 I419 V423 F548 L552 F555V410-I415 WeakPolarHBondContact CG1-O 3.38Å; V410-I415 PolarHBondContact O-N 2.7Å; V410-I415 VanDerWaalsContact O-N 3.17Å; G413-I415 PolarHBondContact O-N 3Å; I415-V417 PolarHBondContact O-N 3.45Å; I415-I419 HydrophobicContact CG2-CD1 4.46Å; I415-I419 HydrophobicContact CG2-CG1 4.23Å; I415-V423 HydrophobicContact CD1-CG1 4.12Å; I415-V423 HydrophobicContact CG2-CG2 4.18Å; I415-F548 HydrophobicContact CD1-CE2 4.48Å; I415-L552 HydrophobicContact CD1-CD2 3.95Å; I415-F555 HydrophobicContact CD1-CB 3.78Å; I415-F555 HydrophobicContact CD1-CD2 3.42Å; I415-F555 VanDerWaalsContact CD1-CD2 3.42Å; I415-F555 HydrophobicContact CD1-CE2 4.13Å; I415-F555 HydrophobicContact CD1-CG 3.66Å; I415-F555 HydrophobicContact CG1-CD2 4.2Å
416D85.5Confident90.9Very high30 Ų3029.1 Ų29.116%0.1616%0.161CC..  trans-65.4128.9177.5-176.4-27000110.6R335 D418 I419 S420R335-D416 VanDerWaalsContact CD-OD2 3.23Å; R335-D416 WeakPolarHBondContact CD-OD2 3.43Å; R335-D416 IonicContact CZ-OD1 2.85Å; R335-D416 IonicContact CZ-OD2 2.85Å; R335-D416 IonicContact NE-OD1 2.93Å; R335-D416 PolarHBondContact NE-OD1 3.23Å; R335-D416 IonicContact NE-OD2 2.98Å; R335-D416 PolarHBondContact NE-OD2 2.99Å; R335-D416 VanDerWaalsContact NE-OD2 3.12Å; R335-D416 IonicContact NH1-OD2 2.9Å; R335-D416 PolarHBondContact NH1-OD2 3.38Å; R335-D416 IonicContact NH2-OD2 3.86Å; D416-D418 PolarHBondContact O-N 3.25Å; D416-D418 PolarHBondContact OD1-N 3.47Å; D416-I419 HydrophobicContact CB-CD1 4.24Å; D416-I419 HydrophobicContact CB-CG1 3.96Å; D416-I419 WeakPolarHBondContact O-CG1 3.43Å; D416-I419 PolarHBondContact O-N 3.33Å; D416-S420 WeakPolarHBondContact O-CB 3.4Å; D416-S420 PolarHBondContact O-N 3.47Å
417V90.5Very high90.8Very high0 Ų028.3 Ų28.30%016%0.157CC..THydrogen-bonded Turntrans-55.6-34.9-179-70.50000112.8K338 N339 L342 F387 L388 L393 V410 I415 I419 S420K338-V417 HydrophobicContact CB-CG2 3.94Å; K338-V417 HydrophobicContact CD-CG2 4.12Å; N339-V417 VanDerWaalsContact OD1-CG1 3.24Å; N339-V417 WeakPolarHBondContact OD1-CG1 3.48Å; L342-V417 HydrophobicContact CD2-CG1 3.48Å; L342-V417 VanDerWaalsContact CD2-CG1 3.48Å; F387-V417 HydrophobicContact CE1-CB 4.3Å; F387-V417 HydrophobicContact CE1-CG2 4.25Å; L388-V417 HydrophobicContact CD2-CG1 4.35Å; L393-V417 HydrophobicContact CD1-CB 4.06Å; L393-V417 HydrophobicContact CD1-CG1 3.96Å; V410-V417 HydrophobicContact CG1-CG1 4.12Å; I415-V417 PolarHBondContact O-N 3.45Å; V417-I419 VanDerWaalsContact C-N 3.34Å; V417-I419 PolarHBondContact O-N 3.02Å; V417-S420 PolarHBondContact O-OG 2.86Å
418D87.4Confident90.7Very high53 Ų5330.7 Ų30.728%0.28317%0.169SC..THydrogen-bonded Turntrans-72.3-27-175.7-64.9-35.8000112.3R335 K338 F387 D416R335-D418 IonicContact CZ-OD2 3.71Å; R335-D418 VanDerWaalsContact CZ-OD2 3.24Å; R335-D418 IonicContact NE-OD2 2.82Å; R335-D418 PolarHBondContact NE-OD2 3.12Å; R335-D418 IonicContact NH2-OD2 3.85Å; R335-D418 PolarHBondContact NH2-OD2 2.84Å; K338-D418 IonicContact NZ-OD1 2.63Å; K338-D418 PolarHBondContact NZ-OD1 3.11Å; F387-D418 VanDerWaalsContact CZ-OD1 3.24Å; F387-D418 WeakPolarHBondContact CZ-OD1 3.4Å; D416-D418 PolarHBondContact O-N 3.25Å; D416-D418 PolarHBondContact OD1-N 3.47Å
419I88.1Confident90.5Very high38 Ų3833.8 Ų33.820%0.19518%0.183CC..THydrogen-bonded Turntrans-103.1-11.117865.4173000113.4I415 D416 V417 R421 R422 V423 Y449I415-I419 HydrophobicContact CG2-CD1 4.46Å; I415-I419 HydrophobicContact CG2-CG1 4.23Å; D416-I419 HydrophobicContact CB-CD1 4.24Å; D416-I419 HydrophobicContact CB-CG1 3.96Å; D416-I419 WeakPolarHBondContact O-CG1 3.43Å; D416-I419 PolarHBondContact O-N 3.33Å; V417-I419 VanDerWaalsContact C-N 3.34Å; V417-I419 PolarHBondContact O-N 3.02Å; I419-R421 VanDerWaalsContact C-N 3.35Å; I419-R421 PolarHBondContact O-N 3.49Å; I419-R422 WeakPolarHBondContact O-CA 3.29Å; I419-R422 WeakPolarHBondContact O-CB 3.26Å; I419-R422 PolarHBondContact O-N 3.33Å; I419-V423 HydrophobicContact CD1-CG2 4.21Å; I419-V423 HydrophobicContact CG1-CG2 4.18Å; I419-V423 PolarHBondContact O-N 2.96Å; I419-Y449 HydrophobicContact CD1-CD2 4.43Å; I419-Y449 HydrophobicContact CD1-CG 4.3Å
420S91.8Very high90.2Very high0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-51.7-46.3-169.259.60000114.3D416 V417 R422 V423 H424D416-S420 WeakPolarHBondContact O-CB 3.4Å; D416-S420 PolarHBondContact O-N 3.47Å; V417-S420 PolarHBondContact O-OG 2.86Å; S420-R422 VanDerWaalsContact C-N 3.33Å; S420-R422 PolarHBondContact O-N 3.36Å; S420-V423 PolarHBondContact O-N 3.14Å; S420-H424 PolarHBondContact O-N 2.92Å
421R91.6Very high89.9Confident100 Ų10036 Ų3638%0.37720%0.195SC..Hα-helixtrans-62.2-39.4177-179.3-175.3-76165-9.7112.2N390 E391 I419 H424 S425N390-R421 PolarHBondContact O-NH2 3.42Å; E391-R421 VanDerWaalsContact C-NH2 3.34Å; E391-R421 VanDerWaalsContact CD-CZ 3.43Å; E391-R421 VanDerWaalsContact CD-NH1 3.26Å; E391-R421 PolarHBondContact O-NH2 2.93Å; E391-R421 IonicContact OE1-CZ 3.66Å; E391-R421 IonicContact OE1-NH1 3.57Å; E391-R421 PolarHBondContact OE1-NH1 2.9Å; E391-R421 IonicContact OE1-NH2 3.64Å; E391-R421 IonicContact OE2-CZ 3.05Å; E391-R421 IonicContact OE2-NE 2.95Å; E391-R421 PolarHBondContact OE2-NE 3.41Å; E391-R421 IonicContact OE2-NH1 2.76Å; E391-R421 PolarHBondContact OE2-NH1 3.17Å; E391-R421 IonicContact OE2-NH2 3.67Å; I419-R421 VanDerWaalsContact C-N 3.35Å; I419-R421 PolarHBondContact O-N 3.49Å; R421-H424 PolarHBondContact O-N 2.9Å; R421-S425 WeakPolarHBondContact O-CB 3.4Å; R421-S425 PolarHBondContact O-N 3.31Å
422R91.3Very high89.8Confident96 Ų9641.2 Ų41.236%0.36222%0.216SC..Hα-helixtrans-68-42.1177.8-17760.1172.1-169.7-4.2110.9I419 S420 H424 S425 D426 Y449 D502I419-R422 WeakPolarHBondContact O-CA 3.29Å; I419-R422 WeakPolarHBondContact O-CB 3.26Å; I419-R422 PolarHBondContact O-N 3.33Å; S420-R422 VanDerWaalsContact C-N 3.33Å; S420-R422 PolarHBondContact O-N 3.36Å; R422-H424 PolarHBondContact O-N 3.44Å; R422-S425 PolarHBondContact O-N 3.47Å; R422-D426 WeakPolarHBondContact CD-OD1 3.37Å; R422-D426 IonicContact CZ-OD1 3.24Å; R422-D426 IonicContact NE-OD1 3.93Å; R422-D426 PolarHBondContact NE-OD1 3.27Å; R422-D426 VanDerWaalsContact NE-OD1 3.11Å; R422-D426 IonicContact NE-OD2 3.01Å; R422-D426 IonicContact NH1-OD1 2.67Å; R422-D426 IonicContact NH2-OD1 3.69Å; R422-D426 WeakPolarHBondContact O-CB 3.38Å; R422-D426 PolarHBondContact O-N 3.43Å; R422-Y449 HydrophobicContact CG-CD1 4.3Å; R422-Y449 HydrophobicContact CG-CE1 3.79Å; R422-D502 IonicContact CZ-OD2 2.64Å; R422-D502 IonicContact NH2-OD2 3.41Å; R422-D502 PolarHBondContact NH2-OD2 3.43Å
423V93.5Very high89.5Confident0 Ų042.5 Ų42.50%023%0.226CC..Hα-helixtrans-56.8-51.6173.8178.30000110.1I415 I419 S420 S425 D426 L427 Y449 F548 L552I415-V423 HydrophobicContact CD1-CG1 4.12Å; I415-V423 HydrophobicContact CG2-CG2 4.18Å; I419-V423 HydrophobicContact CD1-CG2 4.21Å; I419-V423 HydrophobicContact CG1-CG2 4.18Å; I419-V423 PolarHBondContact O-N 2.96Å; S420-V423 PolarHBondContact O-N 3.14Å; V423-S425 PolarHBondContact O-N 2.95Å; V423-D426 PolarHBondContact O-N 3.46Å; V423-L427 HydrophobicContact CG1-CD1 4.05Å; V423-L427 HydrophobicContact CG1-CG 4.42Å; V423-L427 VanDerWaalsContact O-CG 3.29Å; V423-L427 WeakPolarHBondContact O-CG 3.2Å; V423-L427 PolarHBondContact O-N 2.9Å; V423-Y449 HydrophobicContact CB-CE2 4.41Å; V423-Y449 HydrophobicContact CG2-CD2 3.87Å; V423-Y449 HydrophobicContact CG2-CE2 3.61Å; V423-Y449 HydrophobicContact CG2-CG 4.49Å; V423-F548 HydrophobicContact CG1-CZ 4.16Å; V423-F548 HydrophobicContact CG2-CZ 4.15Å; V423-L552 HydrophobicContact CG1-CD2 3.76Å
424H94.7Very high89.2Confident31 Ų3144.2 Ų44.214%0.14423%0.233CC..Hα-helixtrans-57.7-49.9179.4178.7-123.1000112.5L406 S420 R421 R422 D426 L427 L428 F555 M559 E561L406-H424 HydrophobicContact CD1-CB 3.79Å; S420-H424 PolarHBondContact O-N 2.92Å; R421-H424 PolarHBondContact O-N 2.9Å; R422-H424 PolarHBondContact O-N 3.44Å; H424-D426 PolarHBondContact O-N 2.97Å; H424-L427 PolarHBondContact O-N 3.22Å; H424-L428 PolarHBondContact O-N 2.94Å; H424-L428 VanDerWaalsContact O-N 3.09Å; H424-F555 HydrophobicContact CB-CZ 4.07Å; H424-M559 WeakPolarHBondContact NE2-CE 3.39Å; H424-E561 IonicContact CD2-OE1 3.17Å; H424-E561 IonicContact CE1-OE1 3.06Å; H424-E561 PolarHBondContact CE1-OE1 3.49Å; H424-E561 IonicContact NE2-OE1 3Å; H424-E561 PolarHBondContact NE2-OE1 3.07Å
425S92.6Very high89.2Confident48 Ų4842.5 Ų42.534%0.33621%0.21SC..Hα-helixtrans-60.4-43.3178-1770000112.5R421 R422 V423 L427 L428 L429R421-S425 WeakPolarHBondContact O-CB 3.4Å; R421-S425 PolarHBondContact O-N 3.31Å; R422-S425 PolarHBondContact O-N 3.47Å; V423-S425 PolarHBondContact O-N 2.95Å; S425-L427 VanDerWaalsContact C-N 3.35Å; S425-L428 PolarHBondContact O-N 3.36Å; S425-L429 WeakPolarHBondContact O-CG 3.19Å; S425-L429 PolarHBondContact O-N 2.9Å
426D91.9Very high89Confident15 Ų1547.6 Ų47.68%0.0824%0.236CC..Hα-helixtrans-67.5-36.3-178.7-74-2.2000111.5R422 V423 H424 L429 A430 Y449 R508R422-D426 WeakPolarHBondContact CD-OD1 3.37Å; R422-D426 IonicContact CZ-OD1 3.24Å; R422-D426 IonicContact NE-OD1 3.93Å; R422-D426 PolarHBondContact NE-OD1 3.27Å; R422-D426 VanDerWaalsContact NE-OD1 3.11Å; R422-D426 IonicContact NE-OD2 3.01Å; R422-D426 IonicContact NH1-OD1 2.67Å; R422-D426 IonicContact NH2-OD1 3.69Å; R422-D426 WeakPolarHBondContact O-CB 3.38Å; R422-D426 PolarHBondContact O-N 3.43Å; V423-D426 PolarHBondContact O-N 3.46Å; H424-D426 PolarHBondContact O-N 2.97Å; D426-L429 PolarHBondContact O-N 3.5Å; D426-A430 VanDerWaalsContact O-CB 3.28Å; D426-A430 WeakPolarHBondContact O-CB 3.43Å; D426-A430 PolarHBondContact O-N 3.38Å; D426-Y449 VanDerWaalsContact CB-OH 3.23Å; D426-Y449 WeakPolarHBondContact CB-OH 3.48Å; D426-Y449 WeakPolarHBondContact OD2-CE1 3.26Å; D426-Y449 PolarHBondContact OD2-OH 3.14Å; D426-R508 IonicContact OD2-NH1 3.84Å; D426-R508 PolarHBondContact OD2-NH1 3.42Å
427L93.8Very high89Confident4 Ų453.4 Ų53.42%0.02127%0.267CS..Hα-helixtrans-68.5-38.4175.9-66.6178.3000112.3V423 H424 S425 A430 L431 C445 L552 F555 V556 L562 L565V423-L427 HydrophobicContact CG1-CD1 4.05Å; V423-L427 HydrophobicContact CG1-CG 4.42Å; V423-L427 VanDerWaalsContact O-CG 3.29Å; V423-L427 WeakPolarHBondContact O-CG 3.2Å; V423-L427 PolarHBondContact O-N 2.9Å; H424-L427 PolarHBondContact O-N 3.22Å; S425-L427 VanDerWaalsContact C-N 3.35Å; L427-A430 WeakPolarHBondContact O-CB 3.31Å; L427-A430 PolarHBondContact O-N 3.29Å; L427-L431 WeakPolarHBondContact O-CG 3.41Å; L427-L431 PolarHBondContact O-N 3.43Å; L427-C445 HydrophobicContact CD2-CB 4.06Å; L427-L552 HydrophobicContact CD1-CD2 3.9Å; L427-F555 HydrophobicContact CD1-CD1 4.38Å; L427-F555 HydrophobicContact CD1-CE1 4.35Å; L427-V556 HydrophobicContact CD1-CG1 4.38Å; L427-L562 HydrophobicContact CB-CD1 4.36Å; L427-L562 HydrophobicContact CB-CD2 4.23Å; L427-L562 HydrophobicContact CD1-CD1 4.11Å; L427-L565 HydrophobicContact CB-CD1 4.09Å; L427-L565 HydrophobicContact CD1-CD1 4.41Å; L427-L565 HydrophobicContact CD2-CD1 3.87Å; L427-L565 HydrophobicContact CG-CD1 4.33Å
428L92.1Very high88.9Confident50 Ų5054.3 Ų54.326%0.26227%0.273SS..Hα-helixtrans-63.7-44.7173.4-74.2176.2000111.8H424 S425 A430 L431 Q432 E561 L562H424-L428 PolarHBondContact O-N 2.94Å; H424-L428 VanDerWaalsContact O-N 3.09Å; S425-L428 PolarHBondContact O-N 3.36Å; L428-A430 VanDerWaalsContact C-N 3.29Å; L428-A430 PolarHBondContact O-N 3.04Å; L428-L431 PolarHBondContact O-N 3.27Å; L428-Q432 WeakPolarHBondContact O-CG 3.47Å; L428-Q432 PolarHBondContact O-N 3Å; L428-Q432 VanDerWaalsContact O-N 3.16Å; L428-E561 HydrophobicContact CD2-CG 4.06Å; L428-L562 HydrophobicContact CD2-CD2 3.74Å; L428-L562 HydrophobicContact CG-CD2 4.27Å
429L88.9Confident89Confident83 Ų8356.1 Ų56.144%0.43528%0.28SS..Hα-helixtrans-62.8-37.4174.8-71.6171.7000112S425 D426 L431 Q432 N433S425-L429 WeakPolarHBondContact O-CG 3.19Å; S425-L429 PolarHBondContact O-N 2.9Å; D426-L429 PolarHBondContact O-N 3.5Å; L429-L431 VanDerWaalsContact C-N 3.34Å; L429-Q432 PolarHBondContact O-N 3.11Å; L429-N433 PolarHBondContact O-N 3.49Å
430A88Confident89.3Confident4 Ų454.5 Ų54.53%0.03327%0.271CS..Hα-helixtrans-62.5-40.817500000111.6D426 L427 L428 N433 M434 H441D426-A430 VanDerWaalsContact O-CB 3.28Å; D426-A430 WeakPolarHBondContact O-CB 3.43Å; D426-A430 PolarHBondContact O-N 3.38Å; L427-A430 WeakPolarHBondContact O-CB 3.31Å; L427-A430 PolarHBondContact O-N 3.29Å; L428-A430 VanDerWaalsContact C-N 3.29Å; L428-A430 PolarHBondContact O-N 3.04Å; A430-N433 CarbonylContact O-C 3.38Å; A430-N433 PolarHBondContact O-N 3.34Å; A430-M434 HydrophobicContact CB-CE 4Å; A430-M434 VanDerWaalsContact O-CA 3.27Å; A430-M434 WeakPolarHBondContact O-CA 3.37Å; A430-M434 WeakPolarHBondContact O-CB 3.41Å; A430-M434 PolarHBondContact O-N 3.12Å; A430-H441 VanDerWaalsContact CB-NE2 3.3Å; A430-H441 WeakPolarHBondContact CB-NE2 3.36Å; A430-H441 PolarHBondContact O-CE1 3.1Å
431L89Confident89.2Confident44 Ų4454.7 Ų54.723%0.2327%0.272CS..Hα-helixtrans-65.6-37.4177.1-76.6175.4000113.3L427 L428 L429 N433 M434 L562 A564 L565L427-L431 WeakPolarHBondContact O-CG 3.41Å; L427-L431 PolarHBondContact O-N 3.43Å; L428-L431 PolarHBondContact O-N 3.27Å; L429-L431 VanDerWaalsContact C-N 3.34Å; L431-N433 PolarHBondContact O-N 2.85Å; L431-M434 HydrophobicContact CD2-SD 3.87Å; L431-M434 PolarHBondContact O-N 2.63Å; L431-L562 HydrophobicContact CD1-CD2 3.43Å; L431-L562 VanDerWaalsContact CD1-CD2 3.43Å; L431-A564 HydrophobicContact CD2-CB 3.85Å; L431-L565 HydrophobicContact CD2-CG 4.09Å; L431-L565 HydrophobicContact CG-CD1 4.44Å; L431-L565 HydrophobicContact CG-CG 4.48Å
432Q85.7Confident89.3Confident142 Ų14250.5 Ų50.566%0.66426%0.257SS*.Hα-helixtrans-62.2-28.8177.3-70.4176.1-4.500112.9L428 L429L428-Q432 WeakPolarHBondContact O-CG 3.47Å; L428-Q432 PolarHBondContact O-N 3Å; L428-Q432 VanDerWaalsContact O-N 3.16Å; L429-Q432 PolarHBondContact O-N 3.11Å
433N81.1Confident89.4Confident81 Ų8146 Ų4643%0.43324%0.24SC..THydrogen-bonded Turntrans-124.235.5-178.8-61.3-67000111.6L429 A430 L431 V435 H441L429-N433 PolarHBondContact O-N 3.49Å; A430-N433 CarbonylContact O-C 3.38Å; A430-N433 PolarHBondContact O-N 3.34Å; L431-N433 PolarHBondContact O-N 2.85Å; N433-V435 PolarHBondContact O-N 3.4Å; N433-V435 VanDerWaalsContact O-N 3.12Å; N433-H441 PolarHBondContact O-CE1 3.5Å; N433-H441 PolarHBondContact O-ND1 3.48Å
434M83Confident89.4Confident40 Ų4046.4 Ų46.420%0.19724%0.242CC..  trans-73.8109.5-171.9-167.6123.9-84.900111.8A430 L431 L436 H441 L442 L565A430-M434 HydrophobicContact CB-CE 4Å; A430-M434 VanDerWaalsContact O-CA 3.27Å; A430-M434 WeakPolarHBondContact O-CA 3.37Å; A430-M434 WeakPolarHBondContact O-CB 3.41Å; A430-M434 PolarHBondContact O-N 3.12Å; L431-M434 HydrophobicContact CD2-SD 3.87Å; L431-M434 PolarHBondContact O-N 2.63Å; M434-L436 HydrophobicContact CG-CD2 3.78Å; M434-L436 HydrophobicContact CG-CG 4.21Å; M434-L436 PolarHBondContact O-N 2.9Å; M434-L436 HydrophobicContact SD-CD2 4.49Å; M434-H441 HydrophobicContact CE-CB 4.28Å; M434-H441 WeakPolarHBondContact CE-ND1 3.34Å; M434-L442 HydrophobicContact CE-CD2 4.47Å; M434-L565 HydrophobicContact CE-CD2 4.25Å; M434-L565 HydrophobicContact SD-CD2 4.01Å
435V83.4Confident89.3Confident25 Ų2545.1 Ų45.115%0.15224%0.236CC..  trans-83.5106.7169.5172.60000109.4N433 L437 S438 V472 L476N433-V435 PolarHBondContact O-N 3.4Å; N433-V435 VanDerWaalsContact O-N 3.12Å; V435-L437 HydrophobicContact CG1-CB 4.34Å; V435-S438 VanDerWaalsContact O-O 3.06Å; V435-V472 HydrophobicContact CB-CG1 4.23Å; V435-V472 HydrophobicContact CG1-CB 4.2Å; V435-V472 HydrophobicContact CG1-CG1 3.27Å; V435-V472 HydrophobicContact CG2-CG1 3.93Å; V435-L476 HydrophobicContact CG2-CB 4.39Å
436L85.1Confident89.4Confident115 Ų11542.9 Ų42.960%0.60222%0.22SC*.  trans-89.9-10.8174.4-63.3179.1000113.7M434 S438 L568M434-L436 HydrophobicContact CG-CD2 3.78Å; M434-L436 HydrophobicContact CG-CG 4.21Å; M434-L436 PolarHBondContact O-N 2.9Å; M434-L436 HydrophobicContact SD-CD2 4.49Å; L436-S438 PolarHBondContact O-N 3.25Å; L436-L568 HydrophobicContact CD2-CD1 3.53Å; L436-L568 HydrophobicContact CD2-CD2 4.4Å
437L86.6Confident89.5Confident152 Ų15242.1 Ų42.180%0.79622%0.217SC*.SBendtrans-69.3-15.6174.6-66.9172.3000112.9V435 V472V435-L437 HydrophobicContact CG1-CB 4.34Å; L437-V472 HydrophobicContact CB-CG1 4.4Å; L437-V472 HydrophobicContact CD1-CG1 4.25Å; L437-V472 HydrophobicContact CD1-CG2 4.29Å
438S88.1Confident89.3Confident19 Ų1942.5 Ų42.513%0.13322%0.219CC..  trans-135.8147.2174.1172.90000110.7V435 L436 F440 E473V435-S438 VanDerWaalsContact O-O 3.06Å; L436-S438 PolarHBondContact O-N 3.25Å; S438-F440 PolarHBondContact O-N 2.84Å; S438-F440 WeakPolarHBondContact OG-CB 3.29Å; S438-F440 PolarHBondContact OG-N 2.84Å; S438-E473 WeakPolarHBondContact OG-CG 3.25Å; S438-E473 PolarHBondContact OG-OE1 3.07Å
439H89.9Confident89.1Confident92 Ų9241 Ų4143%0.42621%0.21SC..THydrogen-bonded Turntrans-75.6-8.8173.7-60.489.6000113.1H441 L442 L443 W519 F572H439-H441 VanDerWaalsContact C-N 3.28Å; H439-H441 PolarHBondContact O-N 3.21Å; H439-L442 PolarHBondContact O-N 3.32Å; H439-L443 WeakPolarHBondContact O-CG 3.43Å; H439-L443 PolarHBondContact O-N 2.82Å; H439-W519 HydrophobicContact CB-CZ2 4.25Å; H439-W519 AromaticContact CD2-CZ2 3.46Å; H439-W519 VanDerWaalsContact CD2-CZ2 3.46Å; H439-W519 WeakPolarHBondContact CD2-CZ2 3.47Å; H439-W519 AromaticContact CG-CE2 3.78Å; H439-W519 AromaticContact CG-CZ2 3.64Å; H439-W519 AromaticContact CG-NE1 3.73Å; H439-W519 AromaticContact ND1-CZ2 3.98Å; H439-W519 AromaticContact ND1-NE1 3.66Å; H439-W519 AromaticContact NE2-CZ2 3.7Å; H439-F572 HydrophobicContact CB-CE2 4.04Å
440F92.5Very high88.2Confident3 Ų340.9 Ų40.91%0.01322%0.216CC..Hα-helixtrans-60.3-35.5-173.5-174.2-120.8000113.4S438 L443 Y444 L469 E473 L476 L477 A512 F513 R516S438-F440 PolarHBondContact O-N 2.84Å; S438-F440 WeakPolarHBondContact OG-CB 3.29Å; S438-F440 PolarHBondContact OG-N 2.84Å; F440-L443 WeakPolarHBondContact O-CB 3.49Å; F440-L443 PolarHBondContact O-N 2.85Å; F440-Y444 PolarHBondContact O-N 3.02Å; F440-L469 HydrophobicContact CE1-CD1 4.48Å; F440-L469 HydrophobicContact CE1-CD2 4.43Å; F440-E473 HydrophobicContact CB-CG 3.94Å; F440-E473 HydrophobicContact CD1-CB 4.28Å; F440-E473 HydrophobicContact CD1-CG 4.31Å; F440-E473 HydrophobicContact CG-CG 4.42Å; F440-L476 HydrophobicContact CD1-CD2 4.03Å; F440-L477 HydrophobicContact CE1-CD2 4.01Å; F440-L477 HydrophobicContact CE1-CG 4.37Å; F440-A512 HydrophobicContact CE2-CB 3.83Å; F440-A512 HydrophobicContact CZ-CB 4.16Å; F440-F513 HydrophobicContact CE1-CE1 4.09Å; F440-F513 AromaticContact CE2-CD1 3.63Å; F440-F513 HydrophobicContact CE2-CD1 3.63Å; F440-F513 AromaticContact CE2-CE1 4Å; F440-F513 HydrophobicContact CE2-CE1 4Å; F440-F513 AromaticContact CZ-CD1 3.47Å; F440-F513 HydrophobicContact CZ-CD1 3.47Å; F440-F513 VanDerWaalsContact CZ-CD1 3.47Å; F440-F513 AromaticContact CZ-CE1 3.35Å; F440-F513 HydrophobicContact CZ-CE1 3.35Å; F440-F513 HydrophobicContact CZ-CZ 4.39Å; F440-R516 HydrophobicContact CD2-CB 3.96Å; F440-R516 HydrophobicContact CD2-CG 4.2Å; F440-R516 HydrophobicContact CE2-CB 4.25Å
441H91.4Very high87.1Confident4 Ų443 Ų432%0.01923%0.229CC..Hα-helixtrans-66.5-44.2177.5-157.1170.7000111.7A430 N433 M434 H439 L443 Y444 C445 L476A430-H441 VanDerWaalsContact CB-NE2 3.3Å; A430-H441 WeakPolarHBondContact CB-NE2 3.36Å; A430-H441 PolarHBondContact O-CE1 3.1Å; N433-H441 PolarHBondContact O-CE1 3.5Å; N433-H441 PolarHBondContact O-ND1 3.48Å; M434-H441 HydrophobicContact CE-CB 4.28Å; M434-H441 WeakPolarHBondContact CE-ND1 3.34Å; H439-H441 VanDerWaalsContact C-N 3.28Å; H439-H441 PolarHBondContact O-N 3.21Å; H441-L443 VanDerWaalsContact C-N 3.31Å; H441-L443 PolarHBondContact O-N 3.04Å; H441-Y444 WeakPolarHBondContact O-CB 3.33Å; H441-Y444 PolarHBondContact O-N 3.02Å; H441-Y444 VanDerWaalsContact O-N 3.13Å; H441-C445 PolarHBondContact O-N 3.08Å; H441-C445 PolarHBondContact O-SG 3.39Å; H441-L476 HydrophobicContact CB-CD2 3.62Å; H441-L476 WeakPolarHBondContact CE1-CD1 3.31Å; H441-L476 WeakPolarHBondContact ND1-CD1 3.39Å; H441-L476 WeakPolarHBondContact NE2-CD1 3.45Å
442L92.6Very high86Confident13 Ų1349.9 Ų49.97%0.06826%0.26CS..Hα-helixtrans-62.4-40175.3-66.4176.1000111.3M434 H439 Y444 C445 I446 L565 L568 L569 F572M434-L442 HydrophobicContact CE-CD2 4.47Å; H439-L442 PolarHBondContact O-N 3.32Å; L442-Y444 VanDerWaalsContact C-N 3.3Å; L442-Y444 PolarHBondContact O-N 3.34Å; L442-C445 PolarHBondContact O-N 2.97Å; L442-I446 PolarHBondContact O-N 2.92Å; L442-L565 HydrophobicContact CD2-CD2 3.8Å; L442-L568 HydrophobicContact CD1-CB 4.31Å; L442-L568 HydrophobicContact CD2-CB 4.43Å; L442-L569 HydrophobicContact CD2-CD2 4.45Å; L442-F572 HydrophobicContact CB-CD1 4.04Å; L442-F572 HydrophobicContact CB-CD2 4.39Å; L442-F572 HydrophobicContact CB-CE1 3.68Å; L442-F572 HydrophobicContact CB-CE2 4.09Å; L442-F572 HydrophobicContact CB-CG 4.37Å; L442-F572 HydrophobicContact CB-CZ 3.7Å; L442-F572 HydrophobicContact CD1-CB 4.43Å; L442-F572 HydrophobicContact CD1-CD1 4.45Å; L442-F572 HydrophobicContact CD1-CD2 4.13Å; L442-F572 HydrophobicContact CD1-CG 4.08Å
443L93.7Very high85.3Confident1 Ų144 Ų441%0.00523%0.231CC..Hα-helixtrans-58.8-41.3173.8-68.5167.1000111.5H439 F440 H441 I446 V447 L515 R516 W519 F572 L576H439-L443 WeakPolarHBondContact O-CG 3.43Å; H439-L443 PolarHBondContact O-N 2.82Å; F440-L443 WeakPolarHBondContact O-CB 3.49Å; F440-L443 PolarHBondContact O-N 2.85Å; H441-L443 VanDerWaalsContact C-N 3.31Å; H441-L443 PolarHBondContact O-N 3.04Å; L443-I446 WeakPolarHBondContact O-CG1 3.27Å; L443-V447 WeakPolarHBondContact O-CG2 3.35Å; L443-L515 HydrophobicContact CB-CB 4.37Å; L443-L515 HydrophobicContact CD2-CB 3.92Å; L443-R516 HydrophobicContact CD1-CB 3.93Å; L443-R516 HydrophobicContact CD1-CG 4.44Å; L443-W519 HydrophobicContact CD1-CB 4.04Å; L443-W519 HydrophobicContact CD1-CG 4.3Å; L443-W519 HydrophobicContact CD2-CB 4.3Å; L443-W519 HydrophobicContact CD2-CE3 4.48Å; L443-F572 HydrophobicContact CB-CZ 4.47Å; L443-F572 HydrophobicContact CD2-CE1 4.48Å; L443-F572 HydrophobicContact CD2-CE2 4.18Å; L443-F572 HydrophobicContact CD2-CZ 3.51Å; L443-F572 HydrophobicContact CG-CE2 4.28Å; L443-F572 HydrophobicContact CG-CZ 3.7Å; L443-L576 HydrophobicContact CD2-CD1 4.21Å; L443-L576 HydrophobicContact CD2-CD2 4.3Å
444Y93.5Very high85Confident9 Ų942.6 Ų42.64%0.03523%0.227CC..Hα-helixtrans-64.9-44.4174.8167.9-104.5000112.6F440 H441 L442 I446 V447 L480 R508 V509F440-Y444 PolarHBondContact O-N 3.02Å; H441-Y444 WeakPolarHBondContact O-CB 3.33Å; H441-Y444 PolarHBondContact O-N 3.02Å; H441-Y444 VanDerWaalsContact O-N 3.13Å; L442-Y444 VanDerWaalsContact C-N 3.3Å; L442-Y444 PolarHBondContact O-N 3.34Å; Y444-I446 PolarHBondContact O-N 2.85Å; Y444-V447 PolarHBondContact O-N 2.94Å; Y444-V447 VanDerWaalsContact O-N 3.14Å; Y444-L480 HydrophobicContact CD1-CD1 4.43Å; Y444-L480 HydrophobicContact CE1-CD1 4.05Å; Y444-L480 HydrophobicContact CE1-CD2 4.36Å; Y444-L480 HydrophobicContact CE2-CD1 4.46Å; Y444-R508 HydrophobicContact CD2-CB 4.3Å; Y444-R508 HydrophobicContact CE2-CB 3.81Å; Y444-R508 PolarHBondContact O-NH2 3.11Å; Y444-V509 HydrophobicContact CD2-CG2 3.88Å; Y444-V509 HydrophobicContact CE2-CG2 3.69Å
445C93.4Very high84.9Confident4 Ų440.9 Ų40.93%0.02722%0.219CC..Hα-helixtrans-59.3-34.6179.5-66.90000112.7L427 H441 L442L427-C445 HydrophobicContact CD2-CB 4.06Å; H441-C445 PolarHBondContact O-N 3.08Å; H441-C445 PolarHBondContact O-SG 3.39Å; L442-C445 PolarHBondContact O-N 2.97Å
446I93.1Very high84.9Confident0 Ų046.7 Ų46.70%024%0.242CC..THydrogen-bonded Turntrans-86.20.8-179.467.7161.9000114.4L442 L443 Y444 P448 L515 A545 F548 A549 L552 L569 F572 L576L442-I446 PolarHBondContact O-N 2.92Å; L443-I446 WeakPolarHBondContact O-CG1 3.27Å; Y444-I446 PolarHBondContact O-N 2.85Å; I446-P448 WeakPolarHBondContact O-CD 3.41Å; I446-L515 HydrophobicContact CD1-CD1 4.34Å; I446-L515 HydrophobicContact CG1-CD1 4.27Å; I446-A545 HydrophobicContact CD1-CB 4.18Å; I446-A545 HydrophobicContact CG1-CB 4.44Å; I446-A545 WeakPolarHBondContact O-CA 3.43Å; I446-F548 WeakPolarHBondContact O-CD1 3.47Å; I446-A549 HydrophobicContact CB-CB 3.9Å; I446-A549 HydrophobicContact CG2-CB 3.57Å; I446-L552 HydrophobicContact CG2-CD1 4.39Å; I446-L569 HydrophobicContact CG2-CD2 3.91Å; I446-F572 HydrophobicContact CD1-CE1 3.88Å; I446-F572 HydrophobicContact CD1-CZ 4.47Å; I446-F572 HydrophobicContact CG1-CE1 4.4Å; I446-F572 HydrophobicContact CG2-CE1 4.3Å; I446-L576 HydrophobicContact CD1-CD2 3.3Å
447V93.9Very high85Confident0 Ų043.4 Ų43.40%023%0.225CC..SBendtrans-72.9121.3173.6-177.70000109.6L443 Y444 R508 L511 A512 L515L443-V447 WeakPolarHBondContact O-CG2 3.35Å; Y444-V447 PolarHBondContact O-N 2.94Å; Y444-V447 VanDerWaalsContact O-N 3.14Å; V447-R508 HydrophobicContact CB-CB 4.38Å; V447-R508 HydrophobicContact CB-CG 4.42Å; V447-R508 HydrophobicContact CG1-CB 4.11Å; V447-R508 HydrophobicContact CG1-CG 3.92Å; V447-R508 PolarHBondContact O-NE 3.33Å; V447-L511 HydrophobicContact CG1-CB 3.84Å; V447-L511 HydrophobicContact CG1-CD1 3.8Å; V447-L511 HydrophobicContact CG1-CG 4.49Å; V447-L511 HydrophobicContact CG2-CB 4.42Å; V447-A512 HydrophobicContact CG2-CB 4.09Å; V447-L515 HydrophobicContact CG2-CD1 3.82Å
448P90.1Very high85.2Confident11 Ų1137.6 Ų37.67%0.07120%0.195CC..  trans-64.3159.1-179.9-19.632.3000113.6I446 V451 F548I446-P448 WeakPolarHBondContact O-CD 3.41Å; P448-V451 HydrophobicContact CB-CG2 4.09Å; P448-F548 HydrophobicContact CB-CB 4.29Å; P448-F548 HydrophobicContact CB-CG 4.3Å; P448-F548 HydrophobicContact CG-CB 3.78Å; P448-F548 HydrophobicContact CG-CD1 4.44Å; P448-F548 HydrophobicContact CG-CG 4.23Å
449Y88Confident85.3Confident19 Ų1939.1 Ų39.18%0.07520%0.197CC..SBendtrans-92.9-21.9-173.7-71.8-106.5000114.8I419 R422 V423 D426 L504 R508 F548I419-Y449 HydrophobicContact CD1-CD2 4.43Å; I419-Y449 HydrophobicContact CD1-CG 4.3Å; R422-Y449 HydrophobicContact CG-CD1 4.3Å; R422-Y449 HydrophobicContact CG-CE1 3.79Å; V423-Y449 HydrophobicContact CB-CE2 4.41Å; V423-Y449 HydrophobicContact CG2-CD2 3.87Å; V423-Y449 HydrophobicContact CG2-CE2 3.61Å; V423-Y449 HydrophobicContact CG2-CG 4.49Å; D426-Y449 VanDerWaalsContact CB-OH 3.23Å; D426-Y449 WeakPolarHBondContact CB-OH 3.48Å; D426-Y449 WeakPolarHBondContact OD2-CE1 3.26Å; D426-Y449 PolarHBondContact OD2-OH 3.14Å; Y449-L504 HydrophobicContact CD1-CD2 3.93Å; Y449-L504 WeakPolarHBondContact O-CD1 3.45Å; Y449-R508 VanDerWaalsContact CE1-NH1 3.26Å; Y449-R508 VanDerWaalsContact OH-CZ 3.3Å; Y449-R508 PolarHBondContact OH-NH1 2.83Å; Y449-R508 PolarHBondContact OH-NH2 3.18Å; Y449-F548 HydrophobicContact CD2-CE1 4.26Å; Y449-F548 AromaticContact CD2-CZ 3.87Å; Y449-F548 HydrophobicContact CD2-CZ 3.87Å; Y449-F548 HydrophobicContact CE2-CE1 4.08Å; Y449-F548 AromaticContact CE2-CZ 3.82Å; Y449-F548 HydrophobicContact CE2-CZ 3.82Å
450S70.8Confident85.5Confident81 Ų8138.2 Ų38.257%0.56620%0.196SC*.SBendtrans-122.9-4.5-164.853.90000114.8Q452S450-Q452 PolarHBondContact O-N 2.7Å
451V63.9Low85.6Confident49 Ų4938.7 Ų38.730%0.29720%0.198SC..  trans-86.8112.7-174.9-173.10000109.8P448 Y453P448-V451 HydrophobicContact CB-CG2 4.09Å; V451-Y453 HydrophobicContact CB-CE1 3.91Å; V451-Y453 HydrophobicContact CB-CE2 3.82Å; V451-Y453 VanDerWaalsContact CB-CZ 3.45Å; V451-Y453 WeakPolarHBondContact CB-OH 3.45Å; V451-Y453 HydrophobicContact CG1-CD1 3.84Å; V451-Y453 HydrophobicContact CG1-CE1 3.3Å; V451-Y453 HydrophobicContact CG1-CE2 4.07Å; V451-Y453 HydrophobicContact CG1-CG 4.42Å; V451-Y453 VanDerWaalsContact CG1-CZ 3.44Å; V451-Y453 WeakPolarHBondContact O-CD2 3.36Å; V451-Y453 WeakPolarHBondContact O-CE2 3.33Å; V451-Y453 PolarHBondContact O-N 2.67Å; V451-Y453 VanDerWaalsContact O-N 3.15Å
452Q67.3Low85.8Confident187 Ų18738.5 Ų38.587%0.87420%0.197SC*.  trans-76.999.3171-67.6-177.15.800109.1S450S450-Q452 PolarHBondContact O-N 2.7Å
453Y69.8Low85.9Confident18 Ų1840.5 Ų40.57%0.07121%0.205CC..  trans-80146.5168.2-49.5-76.9000108.6V451 I455 L511 Q540 L541 S544V451-Y453 HydrophobicContact CB-CE1 3.91Å; V451-Y453 HydrophobicContact CB-CE2 3.82Å; V451-Y453 VanDerWaalsContact CB-CZ 3.45Å; V451-Y453 WeakPolarHBondContact CB-OH 3.45Å; V451-Y453 HydrophobicContact CG1-CD1 3.84Å; V451-Y453 HydrophobicContact CG1-CE1 3.3Å; V451-Y453 HydrophobicContact CG1-CE2 4.07Å; V451-Y453 HydrophobicContact CG1-CG 4.42Å; V451-Y453 VanDerWaalsContact CG1-CZ 3.44Å; V451-Y453 WeakPolarHBondContact O-CD2 3.36Å; V451-Y453 WeakPolarHBondContact O-CE2 3.33Å; V451-Y453 PolarHBondContact O-N 2.67Å; V451-Y453 VanDerWaalsContact O-N 3.15Å; Y453-I455 HydrophobicContact CG-CD1 4.37Å; Y453-I455 PolarHBondContact O-N 2.89Å; Y453-L511 HydrophobicContact CD2-CD1 3.65Å; Y453-L511 HydrophobicContact CD2-CD2 4.05Å; Y453-L511 HydrophobicContact CE2-CD1 3.68Å; Y453-Q540 HydrophobicContact CD1-CG 4.34Å; Y453-Q540 HydrophobicContact CE1-CG 4.32Å; Y453-L541 HydrophobicContact CD1-CB 4.13Å; Y453-L541 HydrophobicContact CD2-CD1 4.14Å; Y453-L541 VanDerWaalsContact CE1-CA 3.48Å; Y453-L541 HydrophobicContact CE1-CB 4.01Å; Y453-L541 HydrophobicContact CE1-CD1 4.08Å; Y453-L541 HydrophobicContact CE2-CD1 3.6Å; Y453-S544 WeakPolarHBondContact OH-CB 3.44Å
454P75Confident86Confident53 Ų5344.5 Ų44.534%0.34423%0.226SC..SBendtrans-7344.8169.832.9-35.2000111.1R301 A537R301-P454 PolarHBondContact NH1-O 2.7Å; R301-P454 PolarHBondContact NH2-O 3.31Å; P454-A537 HydrophobicContact CG-CB 3.74Å
455I80.7Confident86.1Confident3 Ų344.2 Ų44.22%0.01523%0.225CC..  trans-117.6106.4-178.6-57.7177.4000106.6Y453 Q507 F510 L511 I514 A533 A537 L541Y453-I455 HydrophobicContact CG-CD1 4.37Å; Y453-I455 PolarHBondContact O-N 2.89Å; I455-Q507 PolarHBondContact O-NE2 2.91Å; I455-F510 HydrophobicContact CG2-CD1 4.41Å; I455-F510 HydrophobicContact CG2-CE1 3.98Å; I455-L511 HydrophobicContact CB-CD2 4.24Å; I455-L511 HydrophobicContact CD1-CD2 4.05Å; I455-L511 HydrophobicContact CG2-CD2 4.05Å; I455-I514 HydrophobicContact CD1-CD1 3.91Å; I455-I514 HydrophobicContact CG2-CD1 3.72Å; I455-A533 HydrophobicContact CD1-CB 4.39Å; I455-A533 HydrophobicContact CG1-CB 3.88Å; I455-A533 HydrophobicContact CG2-CB 4.36Å; I455-A537 HydrophobicContact CD1-CB 4.12Å; I455-A537 HydrophobicContact CG1-CB 3.85Å; I455-L541 HydrophobicContact CD1-CB 4.46Å; I455-L541 HydrophobicContact CD1-CD2 4.3Å
456F83.1Confident86.1Confident147 Ų14744 Ų4465%0.64522%0.224SC*.  trans-88.9139.6-179.5-60.9-70.4000110.5D458 F510F456-D458 PolarHBondContact O-N 3.14Å; F456-F510 WeakPolarHBondContact O-CE1 3.27Å
457L87.8Confident86.2Confident47 Ų4748 Ų4825%0.24624%0.241CC..  trans-64.8115.4173177.864.1000110W459 F462 V506 F510L457-W459 HydrophobicContact CD2-CH2 4.35Å; L457-W459 HydrophobicContact CD2-CZ2 3.68Å; L457-F462 HydrophobicContact CD1-CD2 3.67Å; L457-F462 HydrophobicContact CD1-CE2 4.39Å; L457-V506 HydrophobicContact CD1-CG1 4.41Å; L457-V506 HydrophobicContact CD2-CG1 3.77Å; L457-F510 HydrophobicContact CD1-CB 3.71Å; L457-F510 HydrophobicContact CD1-CD1 4.02Å; L457-F510 HydrophobicContact CD1-CD2 3.73Å; L457-F510 HydrophobicContact CD1-CE2 4.31Å; L457-F510 HydrophobicContact CD1-CG 3.55Å
458D89.9Confident86.2Confident29 Ų2950.5 Ų50.516%0.15526%0.256CS..  trans-109.6115171.6-171.5-34.4000108.9F456 N460 I461 F462 R532F456-D458 PolarHBondContact O-N 3.14Å; D458-N460 PolarHBondContact O-N 3.48Å; D458-N460 WeakPolarHBondContact OD1-CB 3.44Å; D458-N460 PolarHBondContact OD1-N 3.22Å; D458-N460 PolarHBondContact OD1-ND2 3.42Å; D458-I461 HydrophobicContact CB-CB 4.14Å; D458-I461 HydrophobicContact CB-CD1 3.72Å; D458-I461 HydrophobicContact CB-CG1 3.88Å; D458-I461 PolarHBondContact O-N 2.86Å; D458-F462 PolarHBondContact O-N 3.26Å; D458-R532 IonicContact OD2-CZ 2.76Å; D458-R532 IonicContact OD2-NE 3.83Å; D458-R532 IonicContact OD2-NH1 3.3Å; D458-R532 PolarHBondContact OD2-NH1 2.98Å
459W92.2Very high86.4Confident51 Ų5150.3 Ų50.319%0.19326%0.255CS..Hα-helixtrans-68.2-20.6-177.2-72.6106.2000114.1L457 F462 Y463 F486 I487 R490 R491 V506L457-W459 HydrophobicContact CD2-CH2 4.35Å; L457-W459 HydrophobicContact CD2-CZ2 3.68Å; W459-F462 HydrophobicContact CE3-CB 4.17Å; W459-F462 HydrophobicContact CE3-CD1 4.44Å; W459-F462 HydrophobicContact CE3-CG 4.17Å; W459-F462 HydrophobicContact CZ3-CD1 4.3Å; W459-F462 HydrophobicContact CZ3-CD2 4.44Å; W459-F462 HydrophobicContact CZ3-CG 4.24Å; W459-Y463 VanDerWaalsContact O-CB 3.25Å; W459-Y463 WeakPolarHBondContact O-CB 3.33Å; W459-Y463 PolarHBondContact O-N 3.13Å; W459-F486 AromaticContact CH2-CE1 3.85Å; W459-F486 HydrophobicContact CH2-CE1 3.85Å; W459-F486 HydrophobicContact CH2-CZ 4.27Å; W459-F486 HydrophobicContact CZ3-CE1 4.21Å; W459-I487 HydrophobicContact CE3-CG2 4.5Å; W459-R490 HydrophobicContact CD2-CB 3.6Å; W459-R490 HydrophobicContact CE3-CB 3.64Å; W459-R490 HydrophobicContact CE3-CG 4.49Å; W459-R490 HydrophobicContact CG-CB 4.3Å; W459-R490 HydrophobicContact CH2-CB 3.72Å; W459-R490 HydrophobicContact CH2-CG 3.68Å; W459-R490 HydrophobicContact CZ2-CB 3.69Å; W459-R490 HydrophobicContact CZ2-CG 3.79Å; W459-R490 HydrophobicContact CZ3-CB 3.7Å; W459-R490 HydrophobicContact CZ3-CG 4.06Å; W459-R491 HydrophobicContact CB-CB 4.21Å; W459-V506 HydrophobicContact CH2-CG1 3.53Å; W459-V506 HydrophobicContact CZ2-CG1 4.02Å; W459-V506 HydrophobicContact CZ3-CG1 4.3Å
460N93.7Very high86.6Confident73 Ų7352.8 Ų52.839%0.3927%0.272SS..Hα-helixtrans-70.9-46.3171.6-61.5-66.3000109.9D458 F462 Y463 D464 R491D458-N460 PolarHBondContact O-N 3.48Å; D458-N460 WeakPolarHBondContact OD1-CB 3.44Å; D458-N460 PolarHBondContact OD1-N 3.22Å; D458-N460 PolarHBondContact OD1-ND2 3.42Å; N460-F462 VanDerWaalsContact C-N 3.34Å; N460-F462 PolarHBondContact O-N 2.92Å; N460-Y463 WeakPolarHBondContact O-CB 3.23Å; N460-Y463 PolarHBondContact O-N 2.99Å; N460-D464 PolarHBondContact O-N 3.1Å; N460-R491 PolarHBondContact OD1-NE 3.04Å
461I94Very high87.6Confident13 Ų1354 Ų547%0.06727%0.269CS..Hα-helixtrans-64.8-41.5176.9-56.5175.4000110.2D458 Y463 D464 E465 F510 R530 F531 R532D458-I461 HydrophobicContact CB-CB 4.14Å; D458-I461 HydrophobicContact CB-CD1 3.72Å; D458-I461 HydrophobicContact CB-CG1 3.88Å; D458-I461 PolarHBondContact O-N 2.86Å; I461-Y463 VanDerWaalsContact C-N 3.32Å; I461-Y463 PolarHBondContact O-N 3.48Å; I461-D464 PolarHBondContact O-N 3.4Å; I461-E465 HydrophobicContact CG2-CG 4.34Å; I461-E465 WeakPolarHBondContact O-CG 3.38Å; I461-E465 PolarHBondContact O-N 3.31Å; I461-F510 HydrophobicContact CB-CE2 4.17Å; I461-F510 HydrophobicContact CB-CZ 4.41Å; I461-F510 HydrophobicContact CG2-CE2 4.01Å; I461-F510 HydrophobicContact CG2-CZ 4.27Å; I461-R530 WeakPolarHBondContact CD1-O 3.41Å; I461-F531 HydrophobicContact CG2-CD1 3.76Å; I461-F531 HydrophobicContact CG2-CE1 3.95Å; I461-F531 HydrophobicContact CG2-CG 4.43Å; I461-R532 HydrophobicContact CD1-CB 4.45Å; I461-R532 HydrophobicContact CD1-CG 3.94Å
462F95.1Very high88.8Confident0 Ų054.4 Ų54.40%027%0.271CS..Hα-helixtrans-58.9-45.5175.5-163.2-68.4000111.3L457 D458 W459 N460 E465 F466 I482 I487 V506 V509 F510 F513L457-F462 HydrophobicContact CD1-CD2 3.67Å; L457-F462 HydrophobicContact CD1-CE2 4.39Å; D458-F462 PolarHBondContact O-N 3.26Å; W459-F462 HydrophobicContact CE3-CB 4.17Å; W459-F462 HydrophobicContact CE3-CD1 4.44Å; W459-F462 HydrophobicContact CE3-CG 4.17Å; W459-F462 HydrophobicContact CZ3-CD1 4.3Å; W459-F462 HydrophobicContact CZ3-CD2 4.44Å; W459-F462 HydrophobicContact CZ3-CG 4.24Å; N460-F462 VanDerWaalsContact C-N 3.34Å; N460-F462 PolarHBondContact O-N 2.92Å; F462-E465 PolarHBondContact O-N 3.42Å; F462-F466 WeakPolarHBondContact O-CB 3.39Å; F462-F466 PolarHBondContact O-N 2.85Å; F462-I482 HydrophobicContact CE1-CG2 3.99Å; F462-I482 HydrophobicContact CZ-CD1 4.41Å; F462-I482 HydrophobicContact CZ-CG2 4.09Å; F462-I487 HydrophobicContact CD1-CD1 4.04Å; F462-I487 HydrophobicContact CD1-CG1 4.03Å; F462-I487 HydrophobicContact CD1-CG2 3.95Å; F462-I487 HydrophobicContact CE1-CD1 3.71Å; F462-I487 HydrophobicContact CE1-CG1 3.81Å; F462-V506 HydrophobicContact CE2-CG1 4.12Å; F462-V509 HydrophobicContact CE2-CB 4.44Å; F462-V509 HydrophobicContact CE2-CG1 4.03Å; F462-V509 HydrophobicContact CZ-CB 4.42Å; F462-V509 HydrophobicContact CZ-CG1 3.7Å; F462-F510 HydrophobicContact CB-CD2 4.2Å; F462-F510 HydrophobicContact CB-CE2 4.36Å; F462-F510 HydrophobicContact CD2-CB 4Å; F462-F510 AromaticContact CD2-CD2 3.65Å; F462-F510 HydrophobicContact CD2-CD2 3.65Å; F462-F510 HydrophobicContact CD2-CG 4.25Å; F462-F510 HydrophobicContact CE2-CB 4.1Å; F462-F510 HydrophobicContact CE2-CD2 4.49Å; F462-F510 HydrophobicContact CG-CD2 4.34Å; F462-F513 HydrophobicContact CD1-CE2 4.15Å; F462-F513 HydrophobicContact CD2-CE2 4.1Å; F462-F513 HydrophobicContact CE1-CE2 4.01Å; F462-F513 HydrophobicContact CE1-CZ 4.38Å; F462-F513 AromaticContact CE2-CE2 3.98Å; F462-F513 HydrophobicContact CE2-CE2 3.98Å; F462-F513 HydrophobicContact CG-CE2 4.17Å; F462-F513 AromaticContact CZ-CE2 3.93Å; F462-F513 HydrophobicContact CZ-CE2 3.93Å; F462-F513 HydrophobicContact CZ-CZ 4.39Å
463Y94.8Very high90Very high56 Ų5646 Ų4622%0.2223%0.232CC..Hα-helixtrans-59.2-50.1175.6179.2-87.1000110.7W459 N460 I461 E465 F466 F467 I487 I488W459-Y463 VanDerWaalsContact O-CB 3.25Å; W459-Y463 WeakPolarHBondContact O-CB 3.33Å; W459-Y463 PolarHBondContact O-N 3.13Å; N460-Y463 WeakPolarHBondContact O-CB 3.23Å; N460-Y463 PolarHBondContact O-N 2.99Å; I461-Y463 VanDerWaalsContact C-N 3.32Å; I461-Y463 PolarHBondContact O-N 3.48Å; Y463-E465 PolarHBondContact O-N 3.01Å; Y463-F466 WeakPolarHBondContact O-CB 3.29Å; Y463-F466 PolarHBondContact O-N 3.35Å; Y463-F467 HydrophobicContact CD1-CD2 4.16Å; Y463-F467 HydrophobicContact CD1-CE2 4.1Å; Y463-F467 AromaticContact CD2-CE2 3.9Å; Y463-F467 HydrophobicContact CD2-CE2 3.9Å; Y463-F467 AromaticContact CE1-CD2 3.88Å; Y463-F467 HydrophobicContact CE1-CD2 3.88Å; Y463-F467 AromaticContact CE1-CE2 3.63Å; Y463-F467 HydrophobicContact CE1-CE2 3.63Å; Y463-F467 HydrophobicContact CE2-CD2 4.35Å; Y463-F467 AromaticContact CE2-CE2 3.39Å; Y463-F467 HydrophobicContact CE2-CE2 3.39Å; Y463-F467 HydrophobicContact CE2-CZ 4.08Å; Y463-F467 HydrophobicContact CG-CE2 4.22Å; Y463-F467 AromaticContact CZ-CD2 3.97Å; Y463-F467 AromaticContact CZ-CE2 3.23Å; Y463-F467 AromaticContact CZ-CZ 3.91Å; Y463-F467 VanDerWaalsContact O-CD2 3.25Å; Y463-F467 WeakPolarHBondContact O-CD2 3.5Å; Y463-F467 PolarHBondContact O-N 3.37Å; Y463-I487 HydrophobicContact CD2-CG2 4.06Å; Y463-I488 HydrophobicContact CD2-CG1 4.2Å; Y463-I488 HydrophobicContact CE2-CD1 4.35Å; Y463-I488 HydrophobicContact CE2-CG1 3.69Å
464D95.3Very high91.1Very high85 Ų8546.3 Ų46.346%0.45523%0.233SC..Hα-helixtrans-62-42.7-179.2-63.3-20.1000112N460 I461 F466 F467 T468N460-D464 PolarHBondContact O-N 3.1Å; I461-D464 PolarHBondContact O-N 3.4Å; D464-F466 PolarHBondContact O-N 2.95Å; D464-F467 PolarHBondContact O-N 3.27Å; D464-T468 WeakPolarHBondContact O-CG2 3.4Å
465E95.7Very high91.7Very high2 Ų246.8 Ų46.81%0.00924%0.238CC..Hα-helixtrans-65.2-37.8176.8-72.7-49.5115.500112.7I461 F462 Y463 F467 T468 F513 R517 R530 F531I461-E465 HydrophobicContact CG2-CG 4.34Å; I461-E465 WeakPolarHBondContact O-CG 3.38Å; I461-E465 PolarHBondContact O-N 3.31Å; F462-E465 PolarHBondContact O-N 3.42Å; Y463-E465 PolarHBondContact O-N 3.01Å; E465-F467 VanDerWaalsContact C-N 3.25Å; E465-F467 PolarHBondContact O-N 2.86Å; E465-T468 WeakPolarHBondContact O-CB 3.33Å; E465-T468 PolarHBondContact O-N 3.07Å; E465-T468 PolarHBondContact O-OG1 2.79Å; E465-F513 HydrophobicContact CB-CB 4.33Å; E465-F513 HydrophobicContact CB-CD1 4.19Å; E465-F513 HydrophobicContact CB-CD2 3.64Å; E465-F513 HydrophobicContact CB-CE1 4.43Å; E465-F513 HydrophobicContact CB-CE2 3.87Å; E465-F513 HydrophobicContact CB-CG 3.82Å; E465-F513 HydrophobicContact CB-CZ 4.26Å; E465-F513 HydrophobicContact CG-CB 4.14Å; E465-F513 HydrophobicContact CG-CD2 4.13Å; E465-F513 HydrophobicContact CG-CG 4.17Å; E465-R517 IonicContact OE1-NE 3.65Å; E465-R517 IonicContact OE1-NH2 3.62Å; E465-R517 IonicContact OE2-CZ 2.68Å; E465-R517 VanDerWaalsContact OE2-CZ 3.31Å; E465-R517 IonicContact OE2-NE 3.46Å; E465-R517 PolarHBondContact OE2-NE 3.46Å; E465-R517 IonicContact OE2-NH2 3.2Å; E465-R517 PolarHBondContact OE2-NH2 3.43Å; E465-R530 IonicContact OE1-CZ 2.81Å; E465-R530 IonicContact OE1-NE 2.85Å; E465-R530 PolarHBondContact OE1-NE 2.86Å; E465-R530 IonicContact OE1-NH2 3.02Å; E465-R530 PolarHBondContact OE1-NH2 3.03Å; E465-R530 IonicContact OE2-NH2 2.92Å; E465-F531 HydrophobicContact CG-CE1 3.81Å; E465-F531 HydrophobicContact CG-CZ 3.7Å
466F95.1Very high92.1Very high1 Ų146.9 Ų46.90%0.00424%0.238CC..Hα-helixtrans-57-38.6177.9178.3-95.6000112.4F462 Y463 D464 T468 L469 K474 L477 E484 I487F462-F466 WeakPolarHBondContact O-CB 3.39Å; F462-F466 PolarHBondContact O-N 2.85Å; Y463-F466 WeakPolarHBondContact O-CB 3.29Å; Y463-F466 PolarHBondContact O-N 3.35Å; D464-F466 PolarHBondContact O-N 2.95Å; F466-T468 VanDerWaalsContact C-N 3.26Å; F466-T468 PolarHBondContact O-N 2.89Å; F466-L469 HydrophobicContact CD2-CD1 4.31Å; F466-L469 WeakPolarHBondContact O-CB 3.41Å; F466-L469 PolarHBondContact O-N 2.81Å; F466-K474 HydrophobicContact CE1-CD 4.27Å; F466-K474 HydrophobicContact CE2-CG 4.22Å; F466-K474 HydrophobicContact CZ-CB 4.45Å; F466-K474 HydrophobicContact CZ-CD 4.19Å; F466-K474 HydrophobicContact CZ-CG 4.13Å; F466-K474 WeakPolarHBondContact O-CE 3.36Å; F466-L477 HydrophobicContact CD2-CD1 3.76Å; F466-L477 HydrophobicContact CE2-CB 4.46Å; F466-L477 HydrophobicContact CE2-CD1 4.08Å; F466-E484 HydrophobicContact CE1-CB 3.91Å; F466-E484 HydrophobicContact CE1-CG 4.12Å; F466-E484 HydrophobicContact CZ-CB 4.2Å; F466-I487 HydrophobicContact CB-CD1 3.83Å; F466-I487 HydrophobicContact CD1-CD1 3.99Å; F466-I487 HydrophobicContact CD2-CD1 3.23Å; F466-I487 HydrophobicContact CE1-CD1 4.37Å; F466-I487 HydrophobicContact CE2-CD1 3.7Å; F466-I487 HydrophobicContact CG-CD1 3.4Å; F466-I487 HydrophobicContact CZ-CD1 4.24Å
467F94.2Very high92.5Very high83 Ų8339.9 Ų39.936%0.36421%0.208SC..Hα-helixtrans-75.8-13.5177.6-74.6-81.1000114Y463 D464 E465 L469 E484Y463-F467 HydrophobicContact CD1-CD2 4.16Å; Y463-F467 HydrophobicContact CD1-CE2 4.1Å; Y463-F467 AromaticContact CD2-CE2 3.9Å; Y463-F467 HydrophobicContact CD2-CE2 3.9Å; Y463-F467 AromaticContact CE1-CD2 3.88Å; Y463-F467 HydrophobicContact CE1-CD2 3.88Å; Y463-F467 AromaticContact CE1-CE2 3.63Å; Y463-F467 HydrophobicContact CE1-CE2 3.63Å; Y463-F467 HydrophobicContact CE2-CD2 4.35Å; Y463-F467 AromaticContact CE2-CE2 3.39Å; Y463-F467 HydrophobicContact CE2-CE2 3.39Å; Y463-F467 HydrophobicContact CE2-CZ 4.08Å; Y463-F467 HydrophobicContact CG-CE2 4.22Å; Y463-F467 AromaticContact CZ-CD2 3.97Å; Y463-F467 AromaticContact CZ-CE2 3.23Å; Y463-F467 AromaticContact CZ-CZ 3.91Å; Y463-F467 VanDerWaalsContact O-CD2 3.25Å; Y463-F467 WeakPolarHBondContact O-CD2 3.5Å; Y463-F467 PolarHBondContact O-N 3.37Å; D464-F467 PolarHBondContact O-N 3.27Å; E465-F467 VanDerWaalsContact C-N 3.25Å; E465-F467 PolarHBondContact O-N 2.86Å; F467-L469 VanDerWaalsContact C-N 3.3Å; F467-E484 HydrophobicContact CZ-CG 4.05Å; F467-E484 WeakPolarHBondContact CZ-OE1 3.3Å
468T93.8Very high92.6Very high52 Ų5243.4 Ų43.432%0.31922%0.218SC..THydrogen-bonded Turntrans-86.1-4.9174.475.10000113.2D464 E465 F466 R516 R517D464-T468 WeakPolarHBondContact O-CG2 3.4Å; E465-T468 WeakPolarHBondContact O-CB 3.33Å; E465-T468 PolarHBondContact O-N 3.07Å; E465-T468 PolarHBondContact O-OG1 2.79Å; F466-T468 VanDerWaalsContact C-N 3.26Å; F466-T468 PolarHBondContact O-N 2.89Å; T468-R516 PolarHBondContact O-NH2 2.88Å; T468-R517 VanDerWaalsContact CG2-NH2 3.35Å; T468-R517 PolarHBondContact OG1-NH2 2.94Å
469L93.4Very high92.3Very high8 Ų844.7 Ų44.74%0.04223%0.229CC..SBendtrans-78.7145.8176.7-61.4179.7000110.9F440 F466 F467 E473 K474 L477 F513F440-L469 HydrophobicContact CE1-CD1 4.48Å; F440-L469 HydrophobicContact CE1-CD2 4.43Å; F466-L469 HydrophobicContact CD2-CD1 4.31Å; F466-L469 WeakPolarHBondContact O-CB 3.41Å; F466-L469 PolarHBondContact O-N 2.81Å; F467-L469 VanDerWaalsContact C-N 3.3Å; L469-E473 WeakPolarHBondContact CA-OE2 3.45Å; L469-E473 HydrophobicContact CB-CB 3.87Å; L469-E473 HydrophobicContact CD1-CB 4.43Å; L469-E473 HydrophobicContact CD2-CB 4.14Å; L469-E473 HydrophobicContact CG-CB 4.36Å; L469-K474 HydrophobicContact CB-CG 3.8Å; L469-K474 HydrophobicContact CD1-CG 4.42Å; L469-K474 VanDerWaalsContact O-CE 3.24Å; L469-K474 WeakPolarHBondContact O-CE 3.5Å; L469-L477 HydrophobicContact CD1-CD1 3.4Å; L469-L477 HydrophobicContact CD1-CG 4.21Å; L469-F513 HydrophobicContact CD1-CE1 3.69Å; L469-F513 HydrophobicContact CD1-CZ 4.08Å; L469-F513 HydrophobicContact CD2-CD1 4.25Å; L469-F513 HydrophobicContact CD2-CE1 3.8Å; L469-F513 HydrophobicContact CG-CE1 4.05Å
470T92.7Very high92.1Very high71 Ų7144.1 Ų44.144%0.43623%0.23SC..  trans-67.1160.4166.961.70000110.5V472 E473 K474T470-V472 PolarHBondContact O-N 3.14Å; T470-E473 PolarHBondContact N-OE2 3Å; T470-E473 PolarHBondContact O-N 3.45Å; T470-E473 VanDerWaalsContact O-N 3.09Å; T470-E473 VanDerWaalsContact OG1-CG 3.26Å; T470-E473 WeakPolarHBondContact OG1-CG 3.32Å; T470-E473 PolarHBondContact OG1-N 3.2Å; T470-E473 PolarHBondContact OG1-OE2 3.06Å; T470-E473 VanDerWaalsContact OG1-OE2 3.12Å; T470-K474 WeakPolarHBondContact O-CG 3.47Å; T470-K474 PolarHBondContact O-N 3.35Å
471E92.3Very high91.8Very high107 Ų10742.6 Ų42.650%0.523%0.232SC..Hα-helixtrans-59.9-31.6178-72.8-52.9122.100112.9K474 S475 R478E471-K474 PolarHBondContact O-N 3.39Å; E471-K474 WeakPolarHBondContact OE1-CD 3.27Å; E471-K474 IonicContact OE1-NZ 2.71Å; E471-K474 PolarHBondContact OE1-NZ 3.41Å; E471-S475 PolarHBondContact O-N 3.22Å; E471-R478 IonicContact OE2-NH2 3.9Å; E471-R478 PolarHBondContact OE2-NH2 3.42Å
472V89.5Confident91.6Very high57 Ų5742 Ų4235%0.34523%0.229SC..Hα-helixtrans-67.7-41.6176.3-158.30000111.2V435 L437 T470 S475 L476V435-V472 HydrophobicContact CB-CG1 4.23Å; V435-V472 HydrophobicContact CG1-CB 4.2Å; V435-V472 HydrophobicContact CG1-CG1 3.27Å; V435-V472 HydrophobicContact CG2-CG1 3.93Å; L437-V472 HydrophobicContact CB-CG1 4.4Å; L437-V472 HydrophobicContact CD1-CG1 4.25Å; L437-V472 HydrophobicContact CD1-CG2 4.29Å; T470-V472 PolarHBondContact O-N 3.14Å; V472-S475 WeakPolarHBondContact O-CB 3.46Å; V472-S475 PolarHBondContact O-N 3.12Å; V472-L476 PolarHBondContact O-N 3.12Å
473E92Very high91.3Very high10 Ų1045 Ų455%0.04725%0.245CC..Hα-helixtrans-67.5-36.5174.2-70.5170.1146.700112.2S438 F440 L469 T470 S475 L476 L477 R516S438-E473 WeakPolarHBondContact OG-CG 3.25Å; S438-E473 PolarHBondContact OG-OE1 3.07Å; F440-E473 HydrophobicContact CB-CG 3.94Å; F440-E473 HydrophobicContact CD1-CB 4.28Å; F440-E473 HydrophobicContact CD1-CG 4.31Å; F440-E473 HydrophobicContact CG-CG 4.42Å; L469-E473 WeakPolarHBondContact CA-OE2 3.45Å; L469-E473 HydrophobicContact CB-CB 3.87Å; L469-E473 HydrophobicContact CD1-CB 4.43Å; L469-E473 HydrophobicContact CD2-CB 4.14Å; L469-E473 HydrophobicContact CG-CB 4.36Å; T470-E473 PolarHBondContact N-OE2 3Å; T470-E473 PolarHBondContact O-N 3.45Å; T470-E473 VanDerWaalsContact O-N 3.09Å; T470-E473 VanDerWaalsContact OG1-CG 3.26Å; T470-E473 WeakPolarHBondContact OG1-CG 3.32Å; T470-E473 PolarHBondContact OG1-N 3.2Å; T470-E473 PolarHBondContact OG1-OE2 3.06Å; T470-E473 VanDerWaalsContact OG1-OE2 3.12Å; E473-S475 VanDerWaalsContact C-N 3.34Å; E473-L476 WeakPolarHBondContact O-CB 3.28Å; E473-L476 PolarHBondContact O-N 2.89Å; E473-L477 PolarHBondContact O-N 3.35Å; E473-R516 IonicContact OE1-CZ 3.52Å; E473-R516 IonicContact OE1-NE 2.73Å; E473-R516 PolarHBondContact OE1-NE 2.85Å; E473-R516 IonicContact OE1-NH2 3.29Å; E473-R516 IonicContact OE2-CZ 3.59Å; E473-R516 IonicContact OE2-NE 3.42Å; E473-R516 IonicContact OE2-NH2 3.45Å; E473-R516 PolarHBondContact OE2-NH2 3.37Å
474K92.5Very high91.1Very high24 Ų2446.4 Ų46.410%0.10425%0.253CS..Hα-helixtrans-66.1-37.9173.5-68.2179.8-167.1163.30111.7F466 L469 T470 E471 L476 L477 R478F466-K474 HydrophobicContact CE1-CD 4.27Å; F466-K474 HydrophobicContact CE2-CG 4.22Å; F466-K474 HydrophobicContact CZ-CB 4.45Å; F466-K474 HydrophobicContact CZ-CD 4.19Å; F466-K474 HydrophobicContact CZ-CG 4.13Å; F466-K474 WeakPolarHBondContact O-CE 3.36Å; L469-K474 HydrophobicContact CB-CG 3.8Å; L469-K474 HydrophobicContact CD1-CG 4.42Å; L469-K474 VanDerWaalsContact O-CE 3.24Å; L469-K474 WeakPolarHBondContact O-CE 3.5Å; T470-K474 WeakPolarHBondContact O-CG 3.47Å; T470-K474 PolarHBondContact O-N 3.35Å; E471-K474 PolarHBondContact O-N 3.39Å; E471-K474 WeakPolarHBondContact OE1-CD 3.27Å; E471-K474 IonicContact OE1-NZ 2.71Å; E471-K474 PolarHBondContact OE1-NZ 3.41Å; K474-L476 VanDerWaalsContact C-N 3.26Å; K474-L476 PolarHBondContact O-N 3.21Å; K474-L477 PolarHBondContact O-N 3.05Å; K474-L477 VanDerWaalsContact O-N 3.12Å; K474-R478 WeakPolarHBondContact O-CG 3.38Å; K474-R478 PolarHBondContact O-N 3.44Å
475S88.7Confident90.8Very high63 Ų6348.7 Ų48.744%0.44126%0.261SS..Hα-helixtrans-58.3-40.2175.8-168.30000111.7E471 V472 E473 R478 S479E471-S475 PolarHBondContact O-N 3.22Å; V472-S475 WeakPolarHBondContact O-CB 3.46Å; V472-S475 PolarHBondContact O-N 3.12Å; E473-S475 VanDerWaalsContact C-N 3.34Å; S475-R478 WeakPolarHBondContact O-CB 3.39Å; S475-R478 PolarHBondContact O-N 3.38Å; S475-S479 PolarHBondContact O-N 3.47Å
476L87.6Confident90.5Very high5 Ų549.9 Ų49.93%0.02627%0.266CS..Hα-helixtrans-59.7-45.6173.2172.166.1000112.3V435 F440 H441 V472 E473 K474 R478 S479 L480V435-L476 HydrophobicContact CG2-CB 4.39Å; F440-L476 HydrophobicContact CD1-CD2 4.03Å; H441-L476 HydrophobicContact CB-CD2 3.62Å; H441-L476 WeakPolarHBondContact CE1-CD1 3.31Å; H441-L476 WeakPolarHBondContact ND1-CD1 3.39Å; H441-L476 WeakPolarHBondContact NE2-CD1 3.45Å; V472-L476 PolarHBondContact O-N 3.12Å; E473-L476 WeakPolarHBondContact O-CB 3.28Å; E473-L476 PolarHBondContact O-N 2.89Å; K474-L476 VanDerWaalsContact C-N 3.26Å; K474-L476 PolarHBondContact O-N 3.21Å; L476-R478 VanDerWaalsContact C-N 3.3Å; L476-R478 PolarHBondContact O-N 3.45Å; L476-S479 PolarHBondContact O-N 3.36Å; L476-S479 PolarHBondContact O-OG 3.25Å; L476-L480 HydrophobicContact CG-CD1 4.5Å; L476-L480 WeakPolarHBondContact O-CG 3.47Å; L476-L480 PolarHBondContact O-N 2.99Å; L476-L480 VanDerWaalsContact O-N 3.12Å
477L91.5Very high90.3Very high1 Ų149.8 Ų49.81%0.00527%0.266CS..Hα-helixtrans-64.6-37.9178.3-65.9-170.4000111.7F440 F466 L469 E473 K474 S479 L480 G481 I482 V509 F513F440-L477 HydrophobicContact CE1-CD2 4.01Å; F440-L477 HydrophobicContact CE1-CG 4.37Å; F466-L477 HydrophobicContact CD2-CD1 3.76Å; F466-L477 HydrophobicContact CE2-CB 4.46Å; F466-L477 HydrophobicContact CE2-CD1 4.08Å; L469-L477 HydrophobicContact CD1-CD1 3.4Å; L469-L477 HydrophobicContact CD1-CG 4.21Å; E473-L477 PolarHBondContact O-N 3.35Å; K474-L477 PolarHBondContact O-N 3.05Å; K474-L477 VanDerWaalsContact O-N 3.12Å; L477-S479 VanDerWaalsContact C-N 3.33Å; L477-S479 PolarHBondContact O-N 2.85Å; L477-L480 HydrophobicContact CD2-CD1 4.31Å; L477-L480 CarbonylContact O-C 3.56Å; L477-L480 PolarHBondContact O-N 2.91Å; L477-L480 VanDerWaalsContact O-N 3.11Å; L477-G481 PolarHBondContact O-N 3.45Å; L477-I482 CarbonylContact C-O 3.53Å; L477-I482 HydrophobicContact CB-CB 4.24Å; L477-I482 HydrophobicContact CB-CG2 4.46Å; L477-I482 WeakPolarHBondContact CB-O 3.44Å; L477-I482 CarbonylContact O-C 3.56Å; L477-I482 WeakPolarHBondContact O-CA 3.44Å; L477-I482 PolarHBondContact O-N 3.01Å; L477-I482 VanDerWaalsContact O-O 3.12Å; L477-V509 HydrophobicContact CD1-CG1 4.33Å; L477-V509 HydrophobicContact CD2-CG1 3.57Å; L477-V509 HydrophobicContact CD2-CG2 4.06Å; L477-F513 HydrophobicContact CD1-CE1 4.32Å; L477-F513 HydrophobicContact CD1-CZ 3.93Å
478R90Very high90Very high120 Ų12048.4 Ų48.445%0.45326%0.262SS..Hα-helixtrans-60.6-41.4174.1-66.5172.2-167.31536.8111.4E471 K474 S475 L476 L480 G481 I482 N483E471-R478 IonicContact OE2-NH2 3.9Å; E471-R478 PolarHBondContact OE2-NH2 3.42Å; K474-R478 WeakPolarHBondContact O-CG 3.38Å; K474-R478 PolarHBondContact O-N 3.44Å; S475-R478 WeakPolarHBondContact O-CB 3.39Å; S475-R478 PolarHBondContact O-N 3.38Å; L476-R478 VanDerWaalsContact C-N 3.3Å; L476-R478 PolarHBondContact O-N 3.45Å; R478-L480 VanDerWaalsContact C-N 3.26Å; R478-L480 PolarHBondContact O-N 2.88Å; R478-G481 PolarHBondContact O-N 3.12Å; R478-I482 PolarHBondContact N-O 3.38Å; R478-N483 HydrophobicContact CG-CB 4.3Å
479S85.1Confident89.7Confident57 Ų5750.2 Ų50.240%0.39927%0.268SS..Hα-helixtrans-67.2-25.7175.762.10000113.3S475 L476 L477 G481S475-S479 PolarHBondContact O-N 3.47Å; L476-S479 PolarHBondContact O-N 3.36Å; L476-S479 PolarHBondContact O-OG 3.25Å; L477-S479 VanDerWaalsContact C-N 3.33Å; L477-S479 PolarHBondContact O-N 2.85Å; S479-G481 PolarHBondContact O-N 3.34Å
480L87.5Confident89.3Confident38 Ų3852.4 Ų52.420%0.19928%0.275CS..THydrogen-bonded Turntrans-81.62.4171-63.4174.9000113.4Y444 L476 L477 R478 L505 V509Y444-L480 HydrophobicContact CD1-CD1 4.43Å; Y444-L480 HydrophobicContact CE1-CD1 4.05Å; Y444-L480 HydrophobicContact CE1-CD2 4.36Å; Y444-L480 HydrophobicContact CE2-CD1 4.46Å; L476-L480 HydrophobicContact CG-CD1 4.5Å; L476-L480 WeakPolarHBondContact O-CG 3.47Å; L476-L480 PolarHBondContact O-N 2.99Å; L476-L480 VanDerWaalsContact O-N 3.12Å; L477-L480 HydrophobicContact CD2-CD1 4.31Å; L477-L480 CarbonylContact O-C 3.56Å; L477-L480 PolarHBondContact O-N 2.91Å; L477-L480 VanDerWaalsContact O-N 3.11Å; R478-L480 VanDerWaalsContact C-N 3.26Å; R478-L480 PolarHBondContact O-N 2.88Å; L480-L505 HydrophobicContact CB-CD2 4.34Å; L480-V509 HydrophobicContact CD1-CG2 4.17Å
481G87.2Confident89Confident42 Ų4254.2 Ų54.243%0.43327%0.274SS..THydrogen-bonded Turntrans82.710.3-178.500000114.8L477 R478 S479L477-G481 PolarHBondContact O-N 3.45Å; R478-G481 PolarHBondContact O-N 3.12Å; S479-G481 PolarHBondContact O-N 3.34Å
482I90.2Very high88.7Confident0 Ų057.3 Ų57.30%029%0.286CS..  trans-103.593.6177.3-61170.3000108.5F462 L477 R478 F486 I487 L505 V506 V509F462-I482 HydrophobicContact CE1-CG2 3.99Å; F462-I482 HydrophobicContact CZ-CD1 4.41Å; F462-I482 HydrophobicContact CZ-CG2 4.09Å; L477-I482 CarbonylContact C-O 3.53Å; L477-I482 HydrophobicContact CB-CB 4.24Å; L477-I482 HydrophobicContact CB-CG2 4.46Å; L477-I482 WeakPolarHBondContact CB-O 3.44Å; L477-I482 CarbonylContact O-C 3.56Å; L477-I482 WeakPolarHBondContact O-CA 3.44Å; L477-I482 PolarHBondContact O-N 3.01Å; L477-I482 VanDerWaalsContact O-O 3.12Å; R478-I482 PolarHBondContact N-O 3.38Å; I482-F486 HydrophobicContact CG1-CD1 4.43Å; I482-F486 HydrophobicContact CG1-CE1 4.28Å; I482-F486 HydrophobicContact CG2-CD1 4.14Å; I482-I487 HydrophobicContact CG2-CD1 3.89Å; I482-I487 HydrophobicContact CG2-CG1 3.85Å; I482-L505 HydrophobicContact CD1-CD2 3.51Å; I482-L505 HydrophobicContact CG1-CD2 4.18Å; I482-V506 HydrophobicContact CD1-CG2 4.31Å; I482-V509 HydrophobicContact CD1-CB 4.22Å; I482-V509 HydrophobicContact CD1-CG1 4.33Å; I482-V509 HydrophobicContact CD1-CG2 3.88Å
483N89.2Confident88.2Confident64 Ų6457.4 Ų57.434%0.34230%0.299SS..  trans-103.8171.3172.966.521.9000111.4R478 Q485 F486 I487R478-N483 HydrophobicContact CG-CB 4.3Å; N483-Q485 VanDerWaalsContact C-N 3.29Å; N483-Q485 PolarHBondContact O-N 3.01Å; N483-Q485 PolarHBondContact OD1-N 3.29Å; N483-F486 WeakPolarHBondContact O-CB 3.36Å; N483-F486 PolarHBondContact O-N 2.93Å; N483-F486 VanDerWaalsContact OD1-CB 3.27Å; N483-F486 WeakPolarHBondContact OD1-CB 3.38Å; N483-F486 PolarHBondContact OD1-N 3.24Å; N483-I487 WeakPolarHBondContact O-CG1 3.44Å; N483-I487 PolarHBondContact O-N 3.25Å; N483-I487 VanDerWaalsContact O-N 3.13Å
484E90.8Very high87.2Confident85 Ų8560.1 Ų60.140%0.39732%0.319SS..Hα-helixtrans-59-40.4-178.2-171.8179163.100112.4F466 F467 F486 I487 I488F466-E484 HydrophobicContact CE1-CB 3.91Å; F466-E484 HydrophobicContact CE1-CG 4.12Å; F466-E484 HydrophobicContact CZ-CB 4.2Å; F467-E484 HydrophobicContact CZ-CG 4.05Å; F467-E484 WeakPolarHBondContact CZ-OE1 3.3Å; E484-F486 PolarHBondContact O-N 3.46Å; E484-I487 PolarHBondContact O-N 3.13Å; E484-I488 HydrophobicContact CG-CD1 3.86Å; E484-I488 HydrophobicContact CG-CG1 4.49Å; E484-I488 VanDerWaalsContact O-CG1 3.31Å; E484-I488 WeakPolarHBondContact O-CG1 3.48Å; E484-I488 PolarHBondContact O-N 3.19Å
485Q88.3Confident85.9Confident132 Ų13265.6 Ų65.662%0.61735%0.347SS*.Hα-helixtrans-60.8-44.6177.2-67.9178.3-7.300111.7N483 I487 I488 M489N483-Q485 VanDerWaalsContact C-N 3.29Å; N483-Q485 PolarHBondContact O-N 3.01Å; N483-Q485 PolarHBondContact OD1-N 3.29Å; Q485-I487 VanDerWaalsContact C-N 3.35Å; Q485-I487 PolarHBondContact O-N 3.46Å; Q485-I488 PolarHBondContact O-N 3.22Å; Q485-M489 HydrophobicContact CB-CE 4.45Å; Q485-M489 WeakPolarHBondContact O-CB 3.45Å; Q485-M489 VanDerWaalsContact O-CG 3.25Å; Q485-M489 WeakPolarHBondContact O-CG 3.44Å; Q485-M489 PolarHBondContact O-N 2.89Å
486F89.3Confident84.2Confident27 Ų2765.3 Ų65.312%0.11835%0.346CS..Hα-helixtrans-58.7-46.1176.2172.1-95000111.3W459 I482 N483 E484 M489 R490 T501 V506W459-F486 AromaticContact CH2-CE1 3.85Å; W459-F486 HydrophobicContact CH2-CE1 3.85Å; W459-F486 HydrophobicContact CH2-CZ 4.27Å; W459-F486 HydrophobicContact CZ3-CE1 4.21Å; I482-F486 HydrophobicContact CG1-CD1 4.43Å; I482-F486 HydrophobicContact CG1-CE1 4.28Å; I482-F486 HydrophobicContact CG2-CD1 4.14Å; N483-F486 WeakPolarHBondContact O-CB 3.36Å; N483-F486 PolarHBondContact O-N 2.93Å; N483-F486 VanDerWaalsContact OD1-CB 3.27Å; N483-F486 WeakPolarHBondContact OD1-CB 3.38Å; N483-F486 PolarHBondContact OD1-N 3.24Å; E484-F486 PolarHBondContact O-N 3.46Å; F486-M489 PolarHBondContact O-N 3.49Å; F486-R490 HydrophobicContact CE1-CG 4.18Å; F486-R490 HydrophobicContact CE2-CG 4.17Å; F486-R490 HydrophobicContact CZ-CG 4Å; F486-R490 VanDerWaalsContact O-CG 3.26Å; F486-R490 WeakPolarHBondContact O-CG 3.31Å; F486-R490 PolarHBondContact O-N 3.37Å; F486-T501 HydrophobicContact CE2-CG2 4.36Å; F486-T501 WeakPolarHBondContact CE2-OG1 3.27Å; F486-T501 HydrophobicContact CZ-CG2 4.01Å; F486-V506 HydrophobicContact CE1-CG2 4.22Å; F486-V506 HydrophobicContact CZ-CG2 4.16Å
487I89.9Confident82.6Confident0 Ų071 Ų710%039%0.386CS..Hα-helixtrans-64.9-45.4179.8-59.4164.9000110.7W459 F462 Y463 F466 I482 N483 E484 Q485 M489 R490 R491W459-I487 HydrophobicContact CE3-CG2 4.5Å; F462-I487 HydrophobicContact CD1-CD1 4.04Å; F462-I487 HydrophobicContact CD1-CG1 4.03Å; F462-I487 HydrophobicContact CD1-CG2 3.95Å; F462-I487 HydrophobicContact CE1-CD1 3.71Å; F462-I487 HydrophobicContact CE1-CG1 3.81Å; Y463-I487 HydrophobicContact CD2-CG2 4.06Å; F466-I487 HydrophobicContact CB-CD1 3.83Å; F466-I487 HydrophobicContact CD1-CD1 3.99Å; F466-I487 HydrophobicContact CD2-CD1 3.23Å; F466-I487 HydrophobicContact CE1-CD1 4.37Å; F466-I487 HydrophobicContact CE2-CD1 3.7Å; F466-I487 HydrophobicContact CG-CD1 3.4Å; F466-I487 HydrophobicContact CZ-CD1 4.24Å; I482-I487 HydrophobicContact CG2-CD1 3.89Å; I482-I487 HydrophobicContact CG2-CG1 3.85Å; N483-I487 WeakPolarHBondContact O-CG1 3.44Å; N483-I487 PolarHBondContact O-N 3.25Å; N483-I487 VanDerWaalsContact O-N 3.13Å; E484-I487 PolarHBondContact O-N 3.13Å; Q485-I487 VanDerWaalsContact C-N 3.35Å; Q485-I487 PolarHBondContact O-N 3.46Å; I487-M489 PolarHBondContact O-N 2.92Å; I487-R490 PolarHBondContact O-N 3.5Å; I487-R491 WeakPolarHBondContact O-CB 3.15Å; I487-R491 PolarHBondContact O-N 3.17Å
488I89.1Confident80.6Confident54 Ų5475.6 Ų75.628%0.27742%0.418SS..Hα-helixtrans-61-44.2178.2-69.4167.4000111Y463 E484 Q485 R490 R491 K492Y463-I488 HydrophobicContact CD2-CG1 4.2Å; Y463-I488 HydrophobicContact CE2-CD1 4.35Å; Y463-I488 HydrophobicContact CE2-CG1 3.69Å; E484-I488 HydrophobicContact CG-CD1 3.86Å; E484-I488 HydrophobicContact CG-CG1 4.49Å; E484-I488 VanDerWaalsContact O-CG1 3.31Å; E484-I488 WeakPolarHBondContact O-CG1 3.48Å; E484-I488 PolarHBondContact O-N 3.19Å; Q485-I488 PolarHBondContact O-N 3.22Å; I488-R490 PolarHBondContact O-N 3.16Å; I488-R491 PolarHBondContact O-N 2.79Å; I488-K492 HydrophobicContact CG2-CD 4.41Å; I488-K492 WeakPolarHBondContact O-CG 3.36Å; I488-K492 PolarHBondContact O-N 3.44Å
489M86.2Confident78.8Confident89 Ų8977.9 Ų77.944%0.43843%0.431SS..Hα-helixtrans-60.9-45.4177.8-73.3178.3-165.900111.5Q485 F486 I487 K492 G493 S494Q485-M489 HydrophobicContact CB-CE 4.45Å; Q485-M489 WeakPolarHBondContact O-CB 3.45Å; Q485-M489 VanDerWaalsContact O-CG 3.25Å; Q485-M489 WeakPolarHBondContact O-CG 3.44Å; Q485-M489 PolarHBondContact O-N 2.89Å; F486-M489 PolarHBondContact O-N 3.49Å; I487-M489 PolarHBondContact O-N 2.92Å; M489-K492 PolarHBondContact O-N 2.81Å; M489-G493 PolarHBondContact O-N 2.9Å; M489-S494 WeakPolarHBondContact O-CB 3.39Å; M489-S494 PolarHBondContact O-N 3.17Å
490R86.6Confident77.5Confident55 Ų5581.5 Ų81.521%0.20845%0.451CS..Hα-helixtrans-66.2-38.5178.5-68.6-67.5-175138.7-0112.5W459 F486 I487 I488 K492 G493W459-R490 HydrophobicContact CD2-CB 3.6Å; W459-R490 HydrophobicContact CE3-CB 3.64Å; W459-R490 HydrophobicContact CE3-CG 4.49Å; W459-R490 HydrophobicContact CG-CB 4.3Å; W459-R490 HydrophobicContact CH2-CB 3.72Å; W459-R490 HydrophobicContact CH2-CG 3.68Å; W459-R490 HydrophobicContact CZ2-CB 3.69Å; W459-R490 HydrophobicContact CZ2-CG 3.79Å; W459-R490 HydrophobicContact CZ3-CB 3.7Å; W459-R490 HydrophobicContact CZ3-CG 4.06Å; F486-R490 HydrophobicContact CE1-CG 4.18Å; F486-R490 HydrophobicContact CE2-CG 4.17Å; F486-R490 HydrophobicContact CZ-CG 4Å; F486-R490 VanDerWaalsContact O-CG 3.26Å; F486-R490 WeakPolarHBondContact O-CG 3.31Å; F486-R490 PolarHBondContact O-N 3.37Å; I487-R490 PolarHBondContact O-N 3.5Å; I488-R490 PolarHBondContact O-N 3.16Å; R490-K492 VanDerWaalsContact C-N 3.32Å; R490-K492 PolarHBondContact O-N 2.99Å; R490-G493 PolarHBondContact O-N 2.62Å
491R85Confident76.4Confident108 Ų10881 Ų8141%0.40845%0.45SS..Hα-helixtrans-62.5-36.7174.2-173.8179.5174.1-165.3-2.7112.6W459 N460 I487 I488 G493W459-R491 HydrophobicContact CB-CB 4.21Å; N460-R491 PolarHBondContact OD1-NE 3.04Å; I487-R491 WeakPolarHBondContact O-CB 3.15Å; I487-R491 PolarHBondContact O-N 3.17Å; I488-R491 PolarHBondContact O-N 2.79Å; R491-G493 PolarHBondContact O-N 3.43Å
492K86.3Confident76Confident173 Ų17381.9 Ų81.975%0.75245%0.445SS*.THydrogen-bonded Turntrans-74.6-1.3173.6-70.4-177.6178.5-176.80113.7I488 M489 R490 S494I488-K492 HydrophobicContact CG2-CD 4.41Å; I488-K492 WeakPolarHBondContact O-CG 3.36Å; I488-K492 PolarHBondContact O-N 3.44Å; M489-K492 PolarHBondContact O-N 2.81Å; R490-K492 VanDerWaalsContact C-N 3.32Å; R490-K492 PolarHBondContact O-N 2.99Å; K492-S494 VanDerWaalsContact C-N 3.28Å; K492-S494 PolarHBondContact O-N 2.91Å
493G78.7Confident75.6Confident59 Ų5987.1 Ų87.161%0.60848%0.476SS*.THydrogen-bonded Turntrans76.411-176.800000114.3M489 R490 R491 I495M489-G493 PolarHBondContact O-N 2.9Å; R490-G493 PolarHBondContact O-N 2.62Å; R491-G493 PolarHBondContact O-N 3.43Å; G493-I495 PolarHBondContact O-N 3.4Å
494S71.5Confident75.5Confident67 Ų6787.1 Ų87.147%0.46948%0.476SS..  trans-82114.3178.5-1670000110.3M489 K492 S496M489-S494 WeakPolarHBondContact O-CB 3.39Å; M489-S494 PolarHBondContact O-N 3.17Å; K492-S494 VanDerWaalsContact C-N 3.28Å; K492-S494 PolarHBondContact O-N 2.91Å; S494-S496 PolarHBondContact O-N 3.43Å
495I64.5Low75.4Confident138 Ų13884 Ų8471%0.70846%0.462SS*.  trans-90.798.3173.2-55.4169.3000106.8G493 S497G493-I495 PolarHBondContact O-N 3.4Å; I495-S497 PolarHBondContact O-N 3.35Å
496S53.8Low75.5Confident58 Ų5878 Ų7841%0.40643%0.434SS..  trans-64128.8171.8-1790000109.8S494 S498S494-S496 PolarHBondContact O-N 3.43Å; S496-S498 VanDerWaalsContact C-N 3.27Å; S496-S498 PolarHBondContact O-N 2.69Å
497S53.4Low75.6Confident124 Ų12479 Ų7987%0.86744%0.439SS*.SBendtrans-72.9-13.1178.847.30000114I495I495-S497 PolarHBondContact O-N 3.35Å
498S49.7Very low75.8Confident97 Ų9779.2 Ų79.268%0.67844%0.44SS*.SBendtrans-93.1-22.9-163.7158.80000115.6S496S496-S498 VanDerWaalsContact C-N 3.27Å; S496-S498 PolarHBondContact O-N 2.69Å
499K53.3Low76Confident168 Ų16876.7 Ų76.773%0.7343%0.427SS*.  trans-146.1100173.4-76.9-175.7178.2176.40109.3T501K499-T501 PolarHBondContact O-N 3.36Å
500T57.2Low76.4Confident134 Ų13472.4 Ų72.482%0.82241%0.406SS*.  trans-6883.5168.133.40000108.8D502T500-D502 PolarHBondContact O-N 2.88Å
501T64.5Low76.9Confident28 Ų2870.1 Ų70.117%0.17240%0.398CS..  trans-52.6132.5167.7-51.40000108.6F486 K499 V503 V506F486-T501 HydrophobicContact CE2-CG2 4.36Å; F486-T501 WeakPolarHBondContact CE2-OG1 3.27Å; F486-T501 HydrophobicContact CZ-CG2 4.01Å; K499-T501 PolarHBondContact O-N 3.36Å; T501-V503 PolarHBondContact O-N 3.05Å; T501-V503 VanDerWaalsContact O-N 3.11Å; T501-V506 HydrophobicContact CG2-CG2 3.86Å
502D78.3Confident77.3Confident60 Ų6065 Ų6532%0.32138%0.378SS..  trans-53.9115.1-179.5179.31.6000110.4R422 T500 L504 L505 V506R422-D502 IonicContact CZ-OD2 2.64Å; R422-D502 IonicContact NH2-OD2 3.41Å; R422-D502 PolarHBondContact NH2-OD2 3.43Å; T500-D502 PolarHBondContact O-N 2.88Å; D502-L504 PolarHBondContact O-N 2.71Å; D502-L504 VanDerWaalsContact OD1-CB 3.3Å; D502-L504 WeakPolarHBondContact OD1-CB 3.47Å; D502-L504 PolarHBondContact OD1-N 3.31Å; D502-L505 HydrophobicContact CB-CB 3.86Å; D502-L505 WeakPolarHBondContact O-CB 3.28Å; D502-L505 PolarHBondContact O-N 3.11Å; D502-L505 VanDerWaalsContact O-N 3.07Å; D502-V506 PolarHBondContact O-N 2.94Å; D502-V506 VanDerWaalsContact O-N 3.14Å
503V82.7Confident77.8Confident109 Ų10956.7 Ų56.766%0.66134%0.343SS*.Hα-helixtrans-58.4-36-178.8177.10000110.4T501 V506 Q507T501-V503 PolarHBondContact O-N 3.05Å; T501-V503 VanDerWaalsContact O-N 3.11Å; V503-V506 PolarHBondContact O-N 3.23Å; V503-Q507 WeakPolarHBondContact O-CB 3.25Å; V503-Q507 PolarHBondContact O-N 2.76Å
504L86.1Confident78.6Confident64 Ų6453.9 Ų53.934%0.33531%0.314SS..Hα-helixtrans-66.4-40.5178.1-178.760.3000111.3Y449 D502 Q507 R508Y449-L504 HydrophobicContact CD1-CD2 3.93Å; Y449-L504 WeakPolarHBondContact O-CD1 3.45Å; D502-L504 PolarHBondContact O-N 2.71Å; D502-L504 VanDerWaalsContact OD1-CB 3.3Å; D502-L504 WeakPolarHBondContact OD1-CB 3.47Å; D502-L504 PolarHBondContact OD1-N 3.31Å; L504-Q507 PolarHBondContact O-N 3Å; L504-R508 HydrophobicContact CD1-CG 4.4Å; L504-R508 WeakPolarHBondContact O-CB 3.41Å; L504-R508 VanDerWaalsContact O-CG 3.31Å; L504-R508 WeakPolarHBondContact O-CG 3.34Å; L504-R508 PolarHBondContact O-N 3.45Å
505L89.2Confident79.6Confident19 Ų1950.7 Ų50.710%0.09929%0.291CS..Hα-helixtrans-60.1-48.8175.9-179.3159.3000110.7L480 I482 D502 Q507 R508 V509L480-L505 HydrophobicContact CB-CD2 4.34Å; I482-L505 HydrophobicContact CD1-CD2 3.51Å; I482-L505 HydrophobicContact CG1-CD2 4.18Å; D502-L505 HydrophobicContact CB-CB 3.86Å; D502-L505 WeakPolarHBondContact O-CB 3.28Å; D502-L505 PolarHBondContact O-N 3.11Å; D502-L505 VanDerWaalsContact O-N 3.07Å; L505-Q507 VanDerWaalsContact C-N 3.34Å; L505-Q507 PolarHBondContact O-N 2.98Å; L505-R508 PolarHBondContact O-N 3.44Å; L505-V509 HydrophobicContact CD2-CG2 4.3Å; L505-V509 WeakPolarHBondContact O-CG2 3.44Å; L505-V509 PolarHBondContact O-N 3.02Å
506V90.7Very high81.1Confident6 Ų645.3 Ų45.34%0.03626%0.262CS..Hα-helixtrans-61.1-44.6179175.50000111.1L457 W459 F462 I482 F486 T501 D502 V503 R508 V509 F510L457-V506 HydrophobicContact CD1-CG1 4.41Å; L457-V506 HydrophobicContact CD2-CG1 3.77Å; W459-V506 HydrophobicContact CH2-CG1 3.53Å; W459-V506 HydrophobicContact CZ2-CG1 4.02Å; W459-V506 HydrophobicContact CZ3-CG1 4.3Å; F462-V506 HydrophobicContact CE2-CG1 4.12Å; I482-V506 HydrophobicContact CD1-CG2 4.31Å; F486-V506 HydrophobicContact CE1-CG2 4.22Å; F486-V506 HydrophobicContact CZ-CG2 4.16Å; T501-V506 HydrophobicContact CG2-CG2 3.86Å; D502-V506 PolarHBondContact O-N 2.94Å; D502-V506 VanDerWaalsContact O-N 3.14Å; V503-V506 PolarHBondContact O-N 3.23Å; V506-R508 VanDerWaalsContact C-N 3.33Å; V506-R508 PolarHBondContact O-N 3.35Å; V506-V509 PolarHBondContact O-N 2.86Å; V506-F510 PolarHBondContact O-N 3.49Å
507Q90.9Very high82.9Confident49 Ų4943.6 Ų43.623%0.22925%0.247CC..Hα-helixtrans-60.6-43.7177.4-173.266.917.700111.2I455 V503 L504 L505 V509 F510 L511I455-Q507 PolarHBondContact O-NE2 2.91Å; V503-Q507 WeakPolarHBondContact O-CB 3.25Å; V503-Q507 PolarHBondContact O-N 2.76Å; L504-Q507 PolarHBondContact O-N 3Å; L505-Q507 VanDerWaalsContact C-N 3.34Å; L505-Q507 PolarHBondContact O-N 2.98Å; Q507-V509 PolarHBondContact O-N 3.23Å; Q507-F510 WeakPolarHBondContact O-CB 3.37Å; Q507-F510 PolarHBondContact O-N 2.9Å; Q507-L511 HydrophobicContact CG-CD1 4.42Å; Q507-L511 WeakPolarHBondContact O-CG 3.42Å; Q507-L511 PolarHBondContact O-N 3.33Å
508R93.7Very high84.6Confident4 Ų438.1 Ų38.12%0.01521%0.208CC..Hα-helixtrans-63.7-39.1178.1-74.4176.165.3-1441.1112.4D426 Y444 V447 Y449 L504 L505 V506 L511 A512D426-R508 IonicContact OD2-NH1 3.84Å; D426-R508 PolarHBondContact OD2-NH1 3.42Å; Y444-R508 HydrophobicContact CD2-CB 4.3Å; Y444-R508 HydrophobicContact CE2-CB 3.81Å; Y444-R508 PolarHBondContact O-NH2 3.11Å; V447-R508 HydrophobicContact CB-CB 4.38Å; V447-R508 HydrophobicContact CB-CG 4.42Å; V447-R508 HydrophobicContact CG1-CB 4.11Å; V447-R508 HydrophobicContact CG1-CG 3.92Å; V447-R508 PolarHBondContact O-NE 3.33Å; Y449-R508 VanDerWaalsContact CE1-NH1 3.26Å; Y449-R508 VanDerWaalsContact OH-CZ 3.3Å; Y449-R508 PolarHBondContact OH-NH1 2.83Å; Y449-R508 PolarHBondContact OH-NH2 3.18Å; L504-R508 HydrophobicContact CD1-CG 4.4Å; L504-R508 WeakPolarHBondContact O-CB 3.41Å; L504-R508 VanDerWaalsContact O-CG 3.31Å; L504-R508 WeakPolarHBondContact O-CG 3.34Å; L504-R508 PolarHBondContact O-N 3.45Å; L505-R508 PolarHBondContact O-N 3.44Å; V506-R508 VanDerWaalsContact C-N 3.33Å; V506-R508 PolarHBondContact O-N 3.35Å; R508-L511 PolarHBondContact O-N 3.02Å; R508-A512 WeakPolarHBondContact O-CB 3.38Å; R508-A512 PolarHBondContact O-N 2.76Å
509V94.2Very high86.5Confident1 Ų135.9 Ų35.91%0.00618%0.184CC..Hα-helixtrans-62.6-43.1173.6170.40000111.3Y444 F462 L477 L480 I482 L505 V506 Q507 L511 A512 F513Y444-V509 HydrophobicContact CD2-CG2 3.88Å; Y444-V509 HydrophobicContact CE2-CG2 3.69Å; F462-V509 HydrophobicContact CE2-CB 4.44Å; F462-V509 HydrophobicContact CE2-CG1 4.03Å; F462-V509 HydrophobicContact CZ-CB 4.42Å; F462-V509 HydrophobicContact CZ-CG1 3.7Å; L477-V509 HydrophobicContact CD1-CG1 4.33Å; L477-V509 HydrophobicContact CD2-CG1 3.57Å; L477-V509 HydrophobicContact CD2-CG2 4.06Å; L480-V509 HydrophobicContact CD1-CG2 4.17Å; I482-V509 HydrophobicContact CD1-CB 4.22Å; I482-V509 HydrophobicContact CD1-CG1 4.33Å; I482-V509 HydrophobicContact CD1-CG2 3.88Å; L505-V509 HydrophobicContact CD2-CG2 4.3Å; L505-V509 WeakPolarHBondContact O-CG2 3.44Å; L505-V509 PolarHBondContact O-N 3.02Å; V506-V509 PolarHBondContact O-N 2.86Å; Q507-V509 PolarHBondContact O-N 3.23Å; V509-L511 VanDerWaalsContact C-N 3.34Å; V509-L511 PolarHBondContact O-N 2.98Å; V509-A512 WeakPolarHBondContact O-CB 3.25Å; V509-A512 PolarHBondContact O-N 3.35Å; V509-A512 VanDerWaalsContact O-N 3.12Å; V509-F513 HydrophobicContact CG1-CE2 4.21Å; V509-F513 HydrophobicContact CG1-CZ 4.05Å; V509-F513 PolarHBondContact O-N 3.37Å; V509-F513 VanDerWaalsContact O-N 3.12Å
510F95Very high88.1Confident0 Ų031.7 Ų31.70%017%0.17CC..Hα-helixtrans-61.4-42.8177.2-173.3-113.1000112.2I455 F456 L457 I461 F462 V506 Q507 A512 F513 F531I455-F510 HydrophobicContact CG2-CD1 4.41Å; I455-F510 HydrophobicContact CG2-CE1 3.98Å; F456-F510 WeakPolarHBondContact O-CE1 3.27Å; L457-F510 HydrophobicContact CD1-CB 3.71Å; L457-F510 HydrophobicContact CD1-CD1 4.02Å; L457-F510 HydrophobicContact CD1-CD2 3.73Å; L457-F510 HydrophobicContact CD1-CE2 4.31Å; L457-F510 HydrophobicContact CD1-CG 3.55Å; I461-F510 HydrophobicContact CB-CE2 4.17Å; I461-F510 HydrophobicContact CB-CZ 4.41Å; I461-F510 HydrophobicContact CG2-CE2 4.01Å; I461-F510 HydrophobicContact CG2-CZ 4.27Å; F462-F510 HydrophobicContact CB-CD2 4.2Å; F462-F510 HydrophobicContact CB-CE2 4.36Å; F462-F510 HydrophobicContact CD2-CB 4Å; F462-F510 AromaticContact CD2-CD2 3.65Å; F462-F510 HydrophobicContact CD2-CD2 3.65Å; F462-F510 HydrophobicContact CD2-CG 4.25Å; F462-F510 HydrophobicContact CE2-CB 4.1Å; F462-F510 HydrophobicContact CE2-CD2 4.49Å; F462-F510 HydrophobicContact CG-CD2 4.34Å; V506-F510 PolarHBondContact O-N 3.49Å; Q507-F510 WeakPolarHBondContact O-CB 3.37Å; Q507-F510 PolarHBondContact O-N 2.9Å; F510-A512 VanDerWaalsContact C-N 3.31Å; F510-A512 PolarHBondContact O-N 2.95Å; F510-F513 HydrophobicContact CD2-CD2 4.31Å; F510-F513 WeakPolarHBondContact O-CB 3.36Å; F510-F513 PolarHBondContact O-N 3.42Å; F510-F531 HydrophobicContact CE1-CD1 4.35Å; F510-F531 HydrophobicContact CE2-CD1 4.02Å; F510-F531 HydrophobicContact CE2-CE1 4.22Å; F510-F531 AromaticContact CZ-CD1 3.79Å; F510-F531 HydrophobicContact CZ-CD1 3.79Å; F510-F531 HydrophobicContact CZ-CE1 4.44Å
511L95.4Very high89.4Confident6 Ų631.7 Ų31.73%0.03116%0.158CC..Hα-helixtrans-66-33.5174.2-63.3174.6000112.2V447 Y453 I455 Q507 R508 V509 F513 I514 L515 L541V447-L511 HydrophobicContact CG1-CB 3.84Å; V447-L511 HydrophobicContact CG1-CD1 3.8Å; V447-L511 HydrophobicContact CG1-CG 4.49Å; V447-L511 HydrophobicContact CG2-CB 4.42Å; Y453-L511 HydrophobicContact CD2-CD1 3.65Å; Y453-L511 HydrophobicContact CD2-CD2 4.05Å; Y453-L511 HydrophobicContact CE2-CD1 3.68Å; I455-L511 HydrophobicContact CB-CD2 4.24Å; I455-L511 HydrophobicContact CD1-CD2 4.05Å; I455-L511 HydrophobicContact CG2-CD2 4.05Å; Q507-L511 HydrophobicContact CG-CD1 4.42Å; Q507-L511 WeakPolarHBondContact O-CG 3.42Å; Q507-L511 PolarHBondContact O-N 3.33Å; R508-L511 PolarHBondContact O-N 3.02Å; V509-L511 VanDerWaalsContact C-N 3.34Å; V509-L511 PolarHBondContact O-N 2.98Å; L511-F513 VanDerWaalsContact C-N 3.28Å; L511-F513 PolarHBondContact O-N 2.93Å; L511-I514 HydrophobicContact CD2-CD1 4.23Å; L511-I514 WeakPolarHBondContact O-CB 3.07Å; L511-I514 PolarHBondContact O-N 2.97Å; L511-I514 VanDerWaalsContact O-N 3.13Å; L511-L515 PolarHBondContact O-N 2.84Å; L511-L515 VanDerWaalsContact O-N 3.1Å; L511-L541 HydrophobicContact CB-CD1 4.12Å; L511-L541 HydrophobicContact CB-CD2 4.15Å; L511-L541 HydrophobicContact CD1-CD1 4.24Å; L511-L541 HydrophobicContact CD2-CD1 4.27Å; L511-L541 HydrophobicContact CD2-CD2 3.98Å; L511-L541 HydrophobicContact CG-CD1 4.44Å
512A95.3Very high90.3Very high0 Ų032.6 Ų32.60%016%0.161CC..Hα-helixtrans-63.6-32.4174.300000112.1F440 V447 R508 V509 F510 I514 L515 R516F440-A512 HydrophobicContact CE2-CB 3.83Å; F440-A512 HydrophobicContact CZ-CB 4.16Å; V447-A512 HydrophobicContact CG2-CB 4.09Å; R508-A512 WeakPolarHBondContact O-CB 3.38Å; R508-A512 PolarHBondContact O-N 2.76Å; V509-A512 WeakPolarHBondContact O-CB 3.25Å; V509-A512 PolarHBondContact O-N 3.35Å; V509-A512 VanDerWaalsContact O-N 3.12Å; F510-A512 VanDerWaalsContact C-N 3.31Å; F510-A512 PolarHBondContact O-N 2.95Å; A512-I514 VanDerWaalsContact C-N 3.3Å; A512-I514 PolarHBondContact O-N 3.25Å; A512-L515 PolarHBondContact O-N 3.37Å; A512-R516 WeakPolarHBondContact O-CB 3.46Å; A512-R516 PolarHBondContact O-N 3.24Å
513F96.6Very high90.6Very high0 Ų033.4 Ų33.40%017%0.165CC..Hα-helixtrans-61.2-40.1171.9-66.4-39.4000112.1F440 F462 E465 L469 L477 V509 F510 L511 R516 R517 F531F440-F513 HydrophobicContact CE1-CE1 4.09Å; F440-F513 AromaticContact CE2-CD1 3.63Å; F440-F513 HydrophobicContact CE2-CD1 3.63Å; F440-F513 AromaticContact CE2-CE1 4Å; F440-F513 HydrophobicContact CE2-CE1 4Å; F440-F513 AromaticContact CZ-CD1 3.47Å; F440-F513 HydrophobicContact CZ-CD1 3.47Å; F440-F513 VanDerWaalsContact CZ-CD1 3.47Å; F440-F513 AromaticContact CZ-CE1 3.35Å; F440-F513 HydrophobicContact CZ-CE1 3.35Å; F440-F513 HydrophobicContact CZ-CZ 4.39Å; F462-F513 HydrophobicContact CD1-CE2 4.15Å; F462-F513 HydrophobicContact CD2-CE2 4.1Å; F462-F513 HydrophobicContact CE1-CE2 4.01Å; F462-F513 HydrophobicContact CE1-CZ 4.38Å; F462-F513 AromaticContact CE2-CE2 3.98Å; F462-F513 HydrophobicContact CE2-CE2 3.98Å; F462-F513 HydrophobicContact CG-CE2 4.17Å; F462-F513 AromaticContact CZ-CE2 3.93Å; F462-F513 HydrophobicContact CZ-CE2 3.93Å; F462-F513 HydrophobicContact CZ-CZ 4.39Å; E465-F513 HydrophobicContact CB-CB 4.33Å; E465-F513 HydrophobicContact CB-CD1 4.19Å; E465-F513 HydrophobicContact CB-CD2 3.64Å; E465-F513 HydrophobicContact CB-CE1 4.43Å; E465-F513 HydrophobicContact CB-CE2 3.87Å; E465-F513 HydrophobicContact CB-CG 3.82Å; E465-F513 HydrophobicContact CB-CZ 4.26Å; E465-F513 HydrophobicContact CG-CB 4.14Å; E465-F513 HydrophobicContact CG-CD2 4.13Å; E465-F513 HydrophobicContact CG-CG 4.17Å; L469-F513 HydrophobicContact CD1-CE1 3.69Å; L469-F513 HydrophobicContact CD1-CZ 4.08Å; L469-F513 HydrophobicContact CD2-CD1 4.25Å; L469-F513 HydrophobicContact CD2-CE1 3.8Å; L469-F513 HydrophobicContact CG-CE1 4.05Å; L477-F513 HydrophobicContact CD1-CE1 4.32Å; L477-F513 HydrophobicContact CD1-CZ 3.93Å; V509-F513 HydrophobicContact CG1-CE2 4.21Å; V509-F513 HydrophobicContact CG1-CZ 4.05Å; V509-F513 PolarHBondContact O-N 3.37Å; V509-F513 VanDerWaalsContact O-N 3.12Å; F510-F513 HydrophobicContact CD2-CD2 4.31Å; F510-F513 WeakPolarHBondContact O-CB 3.36Å; F510-F513 PolarHBondContact O-N 3.42Å; L511-F513 VanDerWaalsContact C-N 3.28Å; L511-F513 PolarHBondContact O-N 2.93Å; F513-R516 WeakPolarHBondContact O-CB 3.46Å; F513-R516 PolarHBondContact O-N 2.79Å; F513-R517 VanDerWaalsContact O-CG 3.31Å; F513-R517 WeakPolarHBondContact O-CG 3.5Å; F513-R517 PolarHBondContact O-N 3.01Å; F513-R517 VanDerWaalsContact O-N 3.1Å; F513-F531 HydrophobicContact CB-CE1 3.83Å; F513-F531 HydrophobicContact CB-CZ 3.8Å
514I94.7Very high90.6Very high0 Ų029.2 Ų29.20%014%0.139CC..Hα-helixtrans-62.9-46.9176-55.2179.4000109.8I455 L511 A512 R516 R517 M518 V527 F531 V538 L541I455-I514 HydrophobicContact CD1-CD1 3.91Å; I455-I514 HydrophobicContact CG2-CD1 3.72Å; L511-I514 HydrophobicContact CD2-CD1 4.23Å; L511-I514 WeakPolarHBondContact O-CB 3.07Å; L511-I514 PolarHBondContact O-N 2.97Å; L511-I514 VanDerWaalsContact O-N 3.13Å; A512-I514 VanDerWaalsContact C-N 3.3Å; A512-I514 PolarHBondContact O-N 3.25Å; I514-R516 VanDerWaalsContact C-N 3.3Å; I514-R516 PolarHBondContact O-N 3.45Å; I514-R517 PolarHBondContact O-N 3.44Å; I514-M518 WeakPolarHBondContact O-CG 3.31Å; I514-M518 PolarHBondContact O-N 2.94Å; I514-V527 HydrophobicContact CG2-CG1 3.75Å; I514-F531 HydrophobicContact CD1-CB 4.16Å; I514-F531 HydrophobicContact CD1-CD1 4.04Å; I514-F531 HydrophobicContact CD1-CG 4.03Å; I514-F531 HydrophobicContact CG1-CB 4.29Å; I514-F531 HydrophobicContact CG1-CD1 3.54Å; I514-F531 HydrophobicContact CG1-CD2 3.9Å; I514-F531 HydrophobicContact CG1-CE1 3.73Å; I514-F531 HydrophobicContact CG1-CE2 4.08Å; I514-F531 HydrophobicContact CG1-CG 3.63Å; I514-F531 HydrophobicContact CG1-CZ 3.99Å; I514-V538 HydrophobicContact CG2-CG1 3.88Å; I514-V538 HydrophobicContact CG2-CG2 4.13Å; I514-L541 HydrophobicContact CB-CD2 3.8Å; I514-L541 HydrophobicContact CD1-CD2 4.1Å; I514-L541 HydrophobicContact CG1-CD2 4.49Å; I514-L541 HydrophobicContact CG2-CD2 3.82Å
515L93.5Very high90.5Very high0 Ų032.5 Ų32.50%015%0.148CC..Hα-helixtrans-62.4-35.2176.8-66-176.6000112.4L443 I446 V447 L511 A512 M518 W519 L541 V542 A545L443-L515 HydrophobicContact CB-CB 4.37Å; L443-L515 HydrophobicContact CD2-CB 3.92Å; I446-L515 HydrophobicContact CD1-CD1 4.34Å; I446-L515 HydrophobicContact CG1-CD1 4.27Å; V447-L515 HydrophobicContact CG2-CD1 3.82Å; L511-L515 PolarHBondContact O-N 2.84Å; L511-L515 VanDerWaalsContact O-N 3.1Å; A512-L515 PolarHBondContact O-N 3.37Å; L515-M518 WeakPolarHBondContact O-CB 3.44Å; L515-M518 PolarHBondContact O-N 2.97Å; L515-W519 VanDerWaalsContact O-CB 3.31Å; L515-W519 WeakPolarHBondContact O-CB 3.38Å; L515-W519 PolarHBondContact O-N 3.35Å; L515-L541 HydrophobicContact CD2-CD2 4.3Å; L515-L541 HydrophobicContact CD2-CG 4.04Å; L515-L541 HydrophobicContact CG-CD2 4.38Å; L515-L541 HydrophobicContact CG-CG 4.42Å; L515-V542 HydrophobicContact CD2-CG2 3.89Å; L515-A545 HydrophobicContact CD1-CB 3.8Å; L515-A545 HydrophobicContact CD2-CB 4.22Å
516R94.2Very high90.6Very high24 Ų2437.4 Ų37.49%0.09117%0.17CC..Hα-helixtrans-62.9-42.2175.4-176.7177.5174.5-96.713112.2F440 L443 T468 E473 A512 F513 I514 W519 N520F440-R516 HydrophobicContact CD2-CB 3.96Å; F440-R516 HydrophobicContact CD2-CG 4.2Å; F440-R516 HydrophobicContact CE2-CB 4.25Å; L443-R516 HydrophobicContact CD1-CB 3.93Å; L443-R516 HydrophobicContact CD1-CG 4.44Å; T468-R516 PolarHBondContact O-NH2 2.88Å; E473-R516 IonicContact OE1-CZ 3.52Å; E473-R516 IonicContact OE1-NE 2.73Å; E473-R516 PolarHBondContact OE1-NE 2.85Å; E473-R516 IonicContact OE1-NH2 3.29Å; E473-R516 IonicContact OE2-CZ 3.59Å; E473-R516 IonicContact OE2-NE 3.42Å; E473-R516 IonicContact OE2-NH2 3.45Å; E473-R516 PolarHBondContact OE2-NH2 3.37Å; A512-R516 WeakPolarHBondContact O-CB 3.46Å; A512-R516 PolarHBondContact O-N 3.24Å; F513-R516 WeakPolarHBondContact O-CB 3.46Å; F513-R516 PolarHBondContact O-N 2.79Å; I514-R516 VanDerWaalsContact C-N 3.3Å; I514-R516 PolarHBondContact O-N 3.45Å; R516-W519 WeakPolarHBondContact O-CB 3.45Å; R516-W519 PolarHBondContact O-N 3.25Å; R516-N520 WeakPolarHBondContact O-CB 3.17Å; R516-N520 VanDerWaalsContact O-CG 3.26Å; R516-N520 PolarHBondContact O-N 3.41Å; R516-N520 PolarHBondContact O-ND2 3.17Å
517R93Very high90.7Very high22 Ų2237.1 Ų37.18%0.08317%0.168CC..Hα-helixtrans-66.2-42.4177-64.3-77.6177.3-166-3.1111.3E465 T468 F513 I514 W519 N520 E522 V527 R530 F531E465-R517 IonicContact OE1-NE 3.65Å; E465-R517 IonicContact OE1-NH2 3.62Å; E465-R517 IonicContact OE2-CZ 2.68Å; E465-R517 VanDerWaalsContact OE2-CZ 3.31Å; E465-R517 IonicContact OE2-NE 3.46Å; E465-R517 PolarHBondContact OE2-NE 3.46Å; E465-R517 IonicContact OE2-NH2 3.2Å; E465-R517 PolarHBondContact OE2-NH2 3.43Å; T468-R517 VanDerWaalsContact CG2-NH2 3.35Å; T468-R517 PolarHBondContact OG1-NH2 2.94Å; F513-R517 VanDerWaalsContact O-CG 3.31Å; F513-R517 WeakPolarHBondContact O-CG 3.5Å; F513-R517 PolarHBondContact O-N 3.01Å; F513-R517 VanDerWaalsContact O-N 3.1Å; I514-R517 PolarHBondContact O-N 3.44Å; R517-W519 VanDerWaalsContact C-N 3.33Å; R517-W519 PolarHBondContact O-N 2.87Å; R517-N520 CarbonylContact O-C 3.15Å; R517-N520 PolarHBondContact O-N 3.24Å; R517-E522 VanDerWaalsContact CD-CD 3.43Å; R517-E522 WeakPolarHBondContact CD-OE1 3.36Å; R517-E522 WeakPolarHBondContact CD-OE2 3.45Å; R517-E522 IonicContact CZ-OE1 2.79Å; R517-E522 IonicContact NE-OE1 3.12Å; R517-E522 IonicContact NH1-OE1 3.92Å; R517-E522 PolarHBondContact NH1-OE1 2.92Å; R517-E522 WeakPolarHBondContact O-CB 3.42Å; R517-E522 PolarHBondContact O-N 3.03Å; R517-V527 HydrophobicContact CB-CG1 4.18Å; R517-V527 HydrophobicContact CB-CG2 3.79Å; R517-R530 VanDerWaalsContact CZ-CZ 3.49Å; R517-R530 VanDerWaalsContact CZ-NH1 3.35Å; R517-F531 HydrophobicContact CG-CE2 3.95Å; R517-F531 HydrophobicContact CG-CZ 4.27Å
518M89.2Confident90.6Very high10 Ų1035.2 Ų35.25%0.04916%0.161CC..Hα-helixtrans-60.6-42.2172.7-69.9-58.7-63.900112.3I514 L515 N520 K521 V524 V527 V538 V542 N579I514-M518 WeakPolarHBondContact O-CG 3.31Å; I514-M518 PolarHBondContact O-N 2.94Å; L515-M518 WeakPolarHBondContact O-CB 3.44Å; L515-M518 PolarHBondContact O-N 2.97Å; M518-N520 VanDerWaalsContact C-N 3.33Å; M518-K521 PolarHBondContact O-N 2.89Å; M518-K521 VanDerWaalsContact O-N 3.13Å; M518-V524 HydrophobicContact CE-CG2 3.63Å; M518-V524 HydrophobicContact SD-CG2 4.18Å; M518-V527 HydrophobicContact SD-CB 4.34Å; M518-V527 HydrophobicContact SD-CG1 4.42Å; M518-V527 HydrophobicContact SD-CG2 4.1Å; M518-V538 HydrophobicContact CG-CG1 4.11Å; M518-V538 HydrophobicContact SD-CG1 3.89Å; M518-V542 HydrophobicContact CB-CG2 4.36Å; M518-V542 HydrophobicContact CE-CG2 4.12Å; M518-V542 HydrophobicContact CG-CG2 3.94Å; M518-N579 PolarHBondContact O-ND2 3.02Å; M518-N579 PolarHBondContact O-OD1 2.96Å
519W89Confident90.5Very high50 Ų5037.6 Ų37.619%0.18919%0.187CC..Hα-helixtrans-62.7-38.8175.4178.1-92.5000112.3H439 L443 L515 R516 R517 K521 F572 A575 L576H439-W519 HydrophobicContact CB-CZ2 4.25Å; H439-W519 AromaticContact CD2-CZ2 3.46Å; H439-W519 VanDerWaalsContact CD2-CZ2 3.46Å; H439-W519 WeakPolarHBondContact CD2-CZ2 3.47Å; H439-W519 AromaticContact CG-CE2 3.78Å; H439-W519 AromaticContact CG-CZ2 3.64Å; H439-W519 AromaticContact CG-NE1 3.73Å; H439-W519 AromaticContact ND1-CZ2 3.98Å; H439-W519 AromaticContact ND1-NE1 3.66Å; H439-W519 AromaticContact NE2-CZ2 3.7Å; L443-W519 HydrophobicContact CD1-CB 4.04Å; L443-W519 HydrophobicContact CD1-CG 4.3Å; L443-W519 HydrophobicContact CD2-CB 4.3Å; L443-W519 HydrophobicContact CD2-CE3 4.48Å; L515-W519 VanDerWaalsContact O-CB 3.31Å; L515-W519 WeakPolarHBondContact O-CB 3.38Å; L515-W519 PolarHBondContact O-N 3.35Å; R516-W519 WeakPolarHBondContact O-CB 3.45Å; R516-W519 PolarHBondContact O-N 3.25Å; R517-W519 VanDerWaalsContact C-N 3.33Å; R517-W519 PolarHBondContact O-N 2.87Å; W519-K521 PolarHBondContact O-N 3.44Å; W519-F572 HydrophobicContact CD2-CE2 4.38Å; W519-F572 HydrophobicContact CE3-CD2 4.48Å; W519-F572 AromaticContact CE3-CE2 3.9Å; W519-F572 HydrophobicContact CE3-CE2 3.9Å; W519-F572 AromaticContact CH2-CD2 3.53Å; W519-F572 HydrophobicContact CH2-CD2 3.53Å; W519-F572 AromaticContact CH2-CE2 3.69Å; W519-F572 HydrophobicContact CH2-CE2 3.69Å; W519-F572 HydrophobicContact CZ2-CD2 4.26Å; W519-F572 HydrophobicContact CZ2-CE2 4.21Å; W519-F572 AromaticContact CZ3-CD2 3.66Å; W519-F572 HydrophobicContact CZ3-CD2 3.66Å; W519-F572 AromaticContact CZ3-CE2 3.52Å; W519-F572 HydrophobicContact CZ3-CE2 3.52Å; W519-F572 HydrophobicContact CZ3-CZ 4.41Å; W519-A575 HydrophobicContact CH2-CB 3.6Å; W519-A575 HydrophobicContact CZ3-CB 3.78Å; W519-L576 HydrophobicContact CE3-CB 4.04Å; W519-L576 HydrophobicContact CE3-CD1 3.89Å; W519-L576 HydrophobicContact CZ3-CB 3.9Å
520N87.9Confident90.5Very high79 Ų7942.1 Ų42.142%0.42220%0.204SC..THydrogen-bonded Turntrans-7313.6174.5-68.5-15000113.6R516 R517 M518 E522R516-N520 WeakPolarHBondContact O-CB 3.17Å; R516-N520 VanDerWaalsContact O-CG 3.26Å; R516-N520 PolarHBondContact O-N 3.41Å; R516-N520 PolarHBondContact O-ND2 3.17Å; R517-N520 CarbonylContact O-C 3.15Å; R517-N520 PolarHBondContact O-N 3.24Å; M518-N520 VanDerWaalsContact C-N 3.33Å; N520-E522 PolarHBondContact O-N 3Å
521K82.6Confident90.4Very high134 Ų13442.2 Ų42.258%0.58320%0.204SC*.THydrogen-bonded Turntrans62.522.9174.8-55172.2-177.6170.30113.8M518 W519 N579M518-K521 PolarHBondContact O-N 2.89Å; M518-K521 VanDerWaalsContact O-N 3.13Å; W519-K521 PolarHBondContact O-N 3.44Å; K521-N579 WeakPolarHBondContact CG-OD1 3.31Å
522E85.5Confident90.2Very high47 Ų4750.3 Ų50.322%0.2223%0.234CC..  trans-66.9154.1171.8-65.5-175.7-153.200111R517 N520 V527R517-E522 VanDerWaalsContact CD-CD 3.43Å; R517-E522 WeakPolarHBondContact CD-OE1 3.36Å; R517-E522 WeakPolarHBondContact CD-OE2 3.45Å; R517-E522 IonicContact CZ-OE1 2.79Å; R517-E522 IonicContact NE-OE1 3.12Å; R517-E522 IonicContact NH1-OE1 3.92Å; R517-E522 PolarHBondContact NH1-OE1 2.92Å; R517-E522 WeakPolarHBondContact O-CB 3.42Å; R517-E522 PolarHBondContact O-N 3.03Å; N520-E522 PolarHBondContact O-N 3Å; E522-V527 HydrophobicContact CB-CG2 3.76Å
523N82.6Confident89.7Confident77 Ų7750.5 Ų50.541%0.41224%0.236SC..  trans-71.8134.5-179.2-173.9-18000110.3W525 E526 V527N523-W525 PolarHBondContact O-N 2.82Å; N523-W525 VanDerWaalsContact OD1-CD1 3.27Å; N523-W525 PolarHBondContact OD1-N 2.94Å; N523-W525 VanDerWaalsContact OD1-N 3.1Å; N523-E526 HydrophobicContact CB-CB 4.34Å; N523-E526 HydrophobicContact CB-CG 4.05Å; N523-E526 PolarHBondContact N-OE2 2.96Å; N523-E526 WeakPolarHBondContact O-CB 3.35Å; N523-E526 PolarHBondContact O-N 3.34Å; N523-V527 WeakPolarHBondContact O-CG2 3.46Å; N523-V527 PolarHBondContact O-N 3.36Å
524V83.7Confident89.1Confident21 Ų2151 Ų5113%0.12724%0.239CC..Hα-helixtrans-51.5-34.9177.3-166.90000112.2M518 A528 R535 V538 Q539M518-V524 HydrophobicContact CE-CG2 3.63Å; M518-V524 HydrophobicContact SD-CG2 4.18Å; V524-A528 WeakPolarHBondContact O-CB 3.4Å; V524-A528 PolarHBondContact O-N 3.41Å; V524-R535 HydrophobicContact CB-CG 4.24Å; V524-R535 HydrophobicContact CG1-CG 3.6Å; V524-V538 HydrophobicContact CG1-CB 4.21Å; V524-V538 HydrophobicContact CG1-CG1 4Å; V524-Q539 HydrophobicContact CG1-CG 4.05Å
525W84.6Confident88.5Confident134 Ų13455.8 Ų55.851%0.50826%0.257SS..Hα-helixtrans-66.8-41.3177.2-68.395.3000113Q296 N523 G529Q296-W525 HydrophobicContact CG-CZ3 4.35Å; Q296-W525 VanDerWaalsContact NE2-CZ3 3.28Å; N523-W525 PolarHBondContact O-N 2.82Å; N523-W525 VanDerWaalsContact OD1-CD1 3.27Å; N523-W525 PolarHBondContact OD1-N 2.94Å; N523-W525 VanDerWaalsContact OD1-N 3.1Å; W525-G529 PolarHBondContact O-N 3.32Å
526E90.4Very high87.8Confident122 Ų12257.4 Ų57.457%0.5727%0.274SS*.Hα-helixtrans-69.2-44178.1-67.8165.8178.400110.2N523 G529 R530N523-E526 HydrophobicContact CB-CB 4.34Å; N523-E526 HydrophobicContact CB-CG 4.05Å; N523-E526 PolarHBondContact N-OE2 2.96Å; N523-E526 WeakPolarHBondContact O-CB 3.35Å; N523-E526 PolarHBondContact O-N 3.34Å; E526-G529 PolarHBondContact O-N 2.99Å; E526-R530 VanDerWaalsContact O-CB 3.28Å; E526-R530 WeakPolarHBondContact O-CB 3.47Å; E526-R530 PolarHBondContact O-N 3.39Å
527V92Very high87.2Confident0 Ų056.3 Ų56.30%027%0.27CS..Hα-helixtrans-61.8-47.5175.7-179.50000110.6I514 R517 M518 E522 N523 G529 R530 F531 V538I514-V527 HydrophobicContact CG2-CG1 3.75Å; R517-V527 HydrophobicContact CB-CG1 4.18Å; R517-V527 HydrophobicContact CB-CG2 3.79Å; M518-V527 HydrophobicContact SD-CB 4.34Å; M518-V527 HydrophobicContact SD-CG1 4.42Å; M518-V527 HydrophobicContact SD-CG2 4.1Å; E522-V527 HydrophobicContact CB-CG2 3.76Å; N523-V527 WeakPolarHBondContact O-CG2 3.46Å; N523-V527 PolarHBondContact O-N 3.36Å; V527-G529 PolarHBondContact O-N 3.29Å; V527-R530 PolarHBondContact O-N 3.27Å; V527-F531 HydrophobicContact CG1-CD2 3.93Å; V527-F531 HydrophobicContact CG1-CE2 4.15Å; V527-F531 WeakPolarHBondContact O-CD2 3.42Å; V527-F531 PolarHBondContact O-N 3.04Å; V527-V538 HydrophobicContact CG1-CG1 4.25Å
528A90.2Very high86.9Confident8 Ų855.2 Ų55.27%0.06627%0.266CS..Hα-helixtrans-55.1-50.5175.800000111.8V524 R530 F531 R532 A533 V538V524-A528 WeakPolarHBondContact O-CB 3.4Å; V524-A528 PolarHBondContact O-N 3.41Å; A528-R530 PolarHBondContact O-N 2.91Å; A528-F531 PolarHBondContact O-N 3.33Å; A528-R532 PolarHBondContact O-N 3.45Å; A528-R532 VanDerWaalsContact O-N 3.11Å; A528-A533 CarbonylContact C-O 3.53Å; A528-A533 VanDerWaalsContact C-O 3.28Å; A528-A533 VanDerWaalsContact CA-O 3.31Å; A528-A533 WeakPolarHBondContact CA-O 3.41Å; A528-A533 WeakPolarHBondContact CB-O 3.34Å; A528-A533 PolarHBondContact O-N 3.35Å; A528-V538 HydrophobicContact CB-CG2 4.28Å
529G91.2Very high86.7Confident55 Ų5558.6 Ų58.657%0.56728%0.282SS*.Hα-helixtrans-59.9-44.5176.800000113W525 E526 V527 F531 R532W525-G529 PolarHBondContact O-N 3.32Å; E526-G529 PolarHBondContact O-N 2.99Å; V527-G529 PolarHBondContact O-N 3.29Å; G529-F531 PolarHBondContact O-N 3.23Å; G529-R532 PolarHBondContact O-N 2.96Å
530R94.1Very high86.4Confident96 Ų9660.5 Ų60.536%0.36229%0.293SS..Hα-helixtrans-61.3-42.4-179.3-175.6173.4-175.7141.59.5113I461 E465 R517 E526 V527 A528I461-R530 WeakPolarHBondContact CD1-O 3.41Å; E465-R530 IonicContact OE1-CZ 2.81Å; E465-R530 IonicContact OE1-NE 2.85Å; E465-R530 PolarHBondContact OE1-NE 2.86Å; E465-R530 IonicContact OE1-NH2 3.02Å; E465-R530 PolarHBondContact OE1-NH2 3.03Å; E465-R530 IonicContact OE2-NH2 2.92Å; R517-R530 VanDerWaalsContact CZ-CZ 3.49Å; R517-R530 VanDerWaalsContact CZ-NH1 3.35Å; E526-R530 VanDerWaalsContact O-CB 3.28Å; E526-R530 WeakPolarHBondContact O-CB 3.47Å; E526-R530 PolarHBondContact O-N 3.39Å; V527-R530 PolarHBondContact O-N 3.27Å; A528-R530 PolarHBondContact O-N 2.91Å
531F93.8Very high86.5Confident2 Ų256.8 Ų56.81%0.00927%0.273CS..THydrogen-bonded Turntrans-92.28.1-179.6-71.1-90.5000113.9I461 E465 F510 F513 I514 R517 V527 A528 G529 A533I461-F531 HydrophobicContact CG2-CD1 3.76Å; I461-F531 HydrophobicContact CG2-CE1 3.95Å; I461-F531 HydrophobicContact CG2-CG 4.43Å; E465-F531 HydrophobicContact CG-CE1 3.81Å; E465-F531 HydrophobicContact CG-CZ 3.7Å; F510-F531 HydrophobicContact CE1-CD1 4.35Å; F510-F531 HydrophobicContact CE2-CD1 4.02Å; F510-F531 HydrophobicContact CE2-CE1 4.22Å; F510-F531 AromaticContact CZ-CD1 3.79Å; F510-F531 HydrophobicContact CZ-CD1 3.79Å; F510-F531 HydrophobicContact CZ-CE1 4.44Å; F513-F531 HydrophobicContact CB-CE1 3.83Å; F513-F531 HydrophobicContact CB-CZ 3.8Å; I514-F531 HydrophobicContact CD1-CB 4.16Å; I514-F531 HydrophobicContact CD1-CD1 4.04Å; I514-F531 HydrophobicContact CD1-CG 4.03Å; I514-F531 HydrophobicContact CG1-CB 4.29Å; I514-F531 HydrophobicContact CG1-CD1 3.54Å; I514-F531 HydrophobicContact CG1-CD2 3.9Å; I514-F531 HydrophobicContact CG1-CE1 3.73Å; I514-F531 HydrophobicContact CG1-CE2 4.08Å; I514-F531 HydrophobicContact CG1-CG 3.63Å; I514-F531 HydrophobicContact CG1-CZ 3.99Å; R517-F531 HydrophobicContact CG-CE2 3.95Å; R517-F531 HydrophobicContact CG-CZ 4.27Å; V527-F531 HydrophobicContact CG1-CD2 3.93Å; V527-F531 HydrophobicContact CG1-CE2 4.15Å; V527-F531 WeakPolarHBondContact O-CD2 3.42Å; V527-F531 PolarHBondContact O-N 3.04Å; A528-F531 PolarHBondContact O-N 3.33Å; G529-F531 PolarHBondContact O-N 3.23Å; F531-A533 HydrophobicContact CB-CB 4.35Å; F531-A533 PolarHBondContact O-N 3.39Å
532R89.5Confident86.8Confident176 Ų17651.4 Ų51.466%0.66425%0.251SS*.THydrogen-bonded Turntrans50.839.8-175.8-59.2176.2176.8179.4-8.5112.2D458 I461 A528 G529D458-R532 IonicContact OD2-CZ 2.76Å; D458-R532 IonicContact OD2-NE 3.83Å; D458-R532 IonicContact OD2-NH1 3.3Å; D458-R532 PolarHBondContact OD2-NH1 2.98Å; I461-R532 HydrophobicContact CD1-CB 4.45Å; I461-R532 HydrophobicContact CD1-CG 3.94Å; A528-R532 PolarHBondContact O-N 3.45Å; A528-R532 VanDerWaalsContact O-N 3.11Å; G529-R532 PolarHBondContact O-N 2.96Å
533A86.5Confident86.6Confident4 Ų454.1 Ų54.13%0.03326%0.263CS..  trans-123159.6-176.100000110.5I455 A528 F531 V538I455-A533 HydrophobicContact CD1-CB 4.39Å; I455-A533 HydrophobicContact CG1-CB 3.88Å; I455-A533 HydrophobicContact CG2-CB 4.36Å; A528-A533 CarbonylContact C-O 3.53Å; A528-A533 VanDerWaalsContact C-O 3.28Å; A528-A533 VanDerWaalsContact CA-O 3.31Å; A528-A533 WeakPolarHBondContact CA-O 3.41Å; A528-A533 WeakPolarHBondContact CB-O 3.34Å; A528-A533 PolarHBondContact O-N 3.35Å; F531-A533 HydrophobicContact CB-CB 4.35Å; F531-A533 PolarHBondContact O-N 3.39Å; A533-V538 HydrophobicContact CB-CG2 4.22Å
534S82.1Confident86.8Confident10 Ų1051.8 Ų51.87%0.0725%0.253CS..  trans-78.8150.2-179.580.90000110.6D299 G536 A537 V538D299-S534 WeakPolarHBondContact OD1-CA 3.37Å; D299-S534 WeakPolarHBondContact OD1-CB 3.33Å; D299-S534 PolarHBondContact OD1-N 2.9Å; D299-S534 WeakPolarHBondContact OD2-CA 3.4Å; D299-S534 WeakPolarHBondContact OD2-CB 3.47Å; D299-S534 PolarHBondContact OD2-N 2.93Å; S534-G536 PolarHBondContact O-N 3.44Å; S534-G536 PolarHBondContact OG-N 3.21Å; S534-A537 WeakPolarHBondContact O-CB 3.46Å; S534-A537 PolarHBondContact O-N 2.96Å; S534-A537 WeakPolarHBondContact OG-CB 2.98Å; S534-A537 PolarHBondContact OG-N 2.88Å; S534-V538 WeakPolarHBondContact O-CG2 3.43Å; S534-V538 PolarHBondContact O-N 3.48Å
535R83.4Confident87.1Confident100 Ų10050.8 Ų50.838%0.37725%0.247SC..Hα-helixtrans-51.5-42.1167.8-167.5-167.577.9108.51.8110.3V524 Q539V524-R535 HydrophobicContact CB-CG 4.24Å; V524-R535 HydrophobicContact CG1-CG 3.6Å; R535-Q539 VanDerWaalsContact CZ-OE1 3.32Å; R535-Q539 WeakPolarHBondContact O-CB 3.32Å; R535-Q539 VanDerWaalsContact O-CG 3.23Å; R535-Q539 WeakPolarHBondContact O-CG 3.37Å; R535-Q539 PolarHBondContact O-N 3.19Å
536G77.5Confident87.2Confident34 Ų3445 Ų4535%0.35123%0.226SC..Hα-helixtrans-61.9-42.217600000112.9S534 Q539 Q540S534-G536 PolarHBondContact O-N 3.44Å; S534-G536 PolarHBondContact OG-N 3.21Å; G536-Q539 PolarHBondContact O-N 3.25Å; G536-Q540 VanDerWaalsContact O-CB 3.31Å; G536-Q540 WeakPolarHBondContact O-CB 3.49Å; G536-Q540 PolarHBondContact O-N 2.83Å
537A82.5Confident86.9Confident1 Ų140.8 Ų40.81%0.00822%0.216CC..Hα-helixtrans-66.3-43.8179.100000112P454 I455 S534 Q540 L541P454-A537 HydrophobicContact CG-CB 3.74Å; I455-A537 HydrophobicContact CD1-CB 4.12Å; I455-A537 HydrophobicContact CG1-CB 3.85Å; S534-A537 WeakPolarHBondContact O-CB 3.46Å; S534-A537 PolarHBondContact O-N 2.96Å; S534-A537 WeakPolarHBondContact OG-CB 2.98Å; S534-A537 PolarHBondContact OG-N 2.88Å; A537-Q540 PolarHBondContact O-N 2.9Å; A537-L541 WeakPolarHBondContact O-CB 3.19Å; A537-L541 PolarHBondContact O-N 3.34Å
538V87.8Confident86.7Confident0 Ų041.9 Ų41.90%022%0.221CC..Hα-helixtrans-63.6-42.9174.9176.40000110.5I514 M518 V524 V527 A528 A533 S534 L541 V542I514-V538 HydrophobicContact CG2-CG1 3.88Å; I514-V538 HydrophobicContact CG2-CG2 4.13Å; M518-V538 HydrophobicContact CG-CG1 4.11Å; M518-V538 HydrophobicContact SD-CG1 3.89Å; V524-V538 HydrophobicContact CG1-CB 4.21Å; V524-V538 HydrophobicContact CG1-CG1 4Å; V527-V538 HydrophobicContact CG1-CG1 4.25Å; A528-V538 HydrophobicContact CB-CG2 4.28Å; A533-V538 HydrophobicContact CB-CG2 4.22Å; S534-V538 WeakPolarHBondContact O-CG2 3.43Å; S534-V538 PolarHBondContact O-N 3.48Å; V538-L541 PolarHBondContact O-N 2.85Å; V538-V542 WeakPolarHBondContact O-CG2 3.43Å; V538-V542 PolarHBondContact O-N 3.44Å
539Q83.7Confident86.8Confident80 Ų8041.5 Ų41.537%0.37422%0.217SC..Hα-helixtrans-63.6-41.6175.7-74.2-178.2-4900112.3V524 R535 G536 V542 H543V524-Q539 HydrophobicContact CG1-CG 4.05Å; R535-Q539 VanDerWaalsContact CZ-OE1 3.32Å; R535-Q539 WeakPolarHBondContact O-CB 3.32Å; R535-Q539 VanDerWaalsContact O-CG 3.23Å; R535-Q539 WeakPolarHBondContact O-CG 3.37Å; R535-Q539 PolarHBondContact O-N 3.19Å; G536-Q539 PolarHBondContact O-N 3.25Å; Q539-V542 PolarHBondContact O-N 2.86Å; Q539-H543 WeakPolarHBondContact O-CB 3.27Å; Q539-H543 PolarHBondContact O-N 3.05Å
540Q82.9Confident86.5Confident91 Ų9140.9 Ų40.943%0.42520%0.204SC..Hα-helixtrans-62.7-43.1175.2-173.9-179.71.600111Y453 G536 A537 H543 S544Y453-Q540 HydrophobicContact CD1-CG 4.34Å; Y453-Q540 HydrophobicContact CE1-CG 4.32Å; G536-Q540 VanDerWaalsContact O-CB 3.31Å; G536-Q540 WeakPolarHBondContact O-CB 3.49Å; G536-Q540 PolarHBondContact O-N 2.83Å; A537-Q540 PolarHBondContact O-N 2.9Å; Q540-H543 PolarHBondContact O-N 3.46Å; Q540-S544 WeakPolarHBondContact O-CB 3.2Å; Q540-S544 PolarHBondContact O-N 2.89Å; Q540-S544 PolarHBondContact O-OG 2.88Å; Q540-S544 VanDerWaalsContact O-OG 3.05Å
541L90.3Very high86.2Confident0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-58.1-51.1174.6173.563.8000111.7Y453 I455 L511 I514 L515 A537 V538 H543 S544 A545Y453-L541 HydrophobicContact CD1-CB 4.13Å; Y453-L541 HydrophobicContact CD2-CD1 4.14Å; Y453-L541 VanDerWaalsContact CE1-CA 3.48Å; Y453-L541 HydrophobicContact CE1-CB 4.01Å; Y453-L541 HydrophobicContact CE1-CD1 4.08Å; Y453-L541 HydrophobicContact CE2-CD1 3.6Å; I455-L541 HydrophobicContact CD1-CB 4.46Å; I455-L541 HydrophobicContact CD1-CD2 4.3Å; L511-L541 HydrophobicContact CB-CD1 4.12Å; L511-L541 HydrophobicContact CB-CD2 4.15Å; L511-L541 HydrophobicContact CD1-CD1 4.24Å; L511-L541 HydrophobicContact CD2-CD1 4.27Å; L511-L541 HydrophobicContact CD2-CD2 3.98Å; L511-L541 HydrophobicContact CG-CD1 4.44Å; I514-L541 HydrophobicContact CB-CD2 3.8Å; I514-L541 HydrophobicContact CD1-CD2 4.1Å; I514-L541 HydrophobicContact CG1-CD2 4.49Å; I514-L541 HydrophobicContact CG2-CD2 3.82Å; L515-L541 HydrophobicContact CD2-CD2 4.3Å; L515-L541 HydrophobicContact CD2-CG 4.04Å; L515-L541 HydrophobicContact CG-CD2 4.38Å; L515-L541 HydrophobicContact CG-CG 4.42Å; A537-L541 WeakPolarHBondContact O-CB 3.19Å; A537-L541 PolarHBondContact O-N 3.34Å; V538-L541 PolarHBondContact O-N 2.85Å; L541-H543 VanDerWaalsContact C-N 3.31Å; L541-H543 PolarHBondContact O-N 3.47Å; L541-S544 PolarHBondContact O-N 3.18Å; L541-A545 VanDerWaalsContact O-CB 3.27Å; L541-A545 WeakPolarHBondContact O-CB 3.5Å; L541-A545 PolarHBondContact O-N 3.11Å
542V87.8Confident86.1Confident22 Ų2237.8 Ų37.813%0.13320%0.198CC..Hα-helixtrans-58.7-45.1177.9172.80000110.6L515 M518 V538 Q539 A545 L546L515-V542 HydrophobicContact CD2-CG2 3.89Å; M518-V542 HydrophobicContact CB-CG2 4.36Å; M518-V542 HydrophobicContact CE-CG2 4.12Å; M518-V542 HydrophobicContact CG-CG2 3.94Å; V538-V542 WeakPolarHBondContact O-CG2 3.43Å; V538-V542 PolarHBondContact O-N 3.44Å; Q539-V542 PolarHBondContact O-N 2.86Å; V542-A545 PolarHBondContact O-N 3Å; V542-L546 HydrophobicContact CG1-CD1 3.96Å; V542-L546 VanDerWaalsContact O-CG 3.27Å; V542-L546 WeakPolarHBondContact O-CG 3.43Å; V542-L546 PolarHBondContact O-N 3Å
543H82.5Confident86.2Confident103 Ų10330.3 Ų30.348%0.47717%0.172SC..Hα-helixtrans-64.6-45179.8-168.476.6000112.6Q539 Q540 L541 L546 G547Q539-H543 WeakPolarHBondContact O-CB 3.27Å; Q539-H543 PolarHBondContact O-N 3.05Å; Q540-H543 PolarHBondContact O-N 3.46Å; L541-H543 VanDerWaalsContact C-N 3.31Å; L541-H543 PolarHBondContact O-N 3.47Å; H543-L546 PolarHBondContact O-N 3.16Å; H543-G547 PolarHBondContact O-N 3.15Å
544S85.9Confident86.3Confident28 Ų2832.2 Ų32.220%0.19618%0.179CC..Hα-helixtrans-65.7-38.6177-64.90000112.2Y453 Q540 L541 G547 F548Y453-S544 WeakPolarHBondContact OH-CB 3.44Å; Q540-S544 WeakPolarHBondContact O-CB 3.2Å; Q540-S544 PolarHBondContact O-N 2.89Å; Q540-S544 PolarHBondContact O-OG 2.88Å; Q540-S544 VanDerWaalsContact O-OG 3.05Å; L541-S544 PolarHBondContact O-N 3.18Å; S544-G547 PolarHBondContact O-N 3.39Å; S544-F548 WeakPolarHBondContact O-CB 3.43Å; S544-F548 PolarHBondContact O-N 2.88Å
545A90.7Very high86.8Confident0 Ų031.8 Ų31.80%018%0.175CC..Hα-helixtrans-63.8-42.3175.700000111.2I446 L515 L541 V542 F548 A549I446-A545 HydrophobicContact CD1-CB 4.18Å; I446-A545 HydrophobicContact CG1-CB 4.44Å; I446-A545 WeakPolarHBondContact O-CA 3.43Å; L515-A545 HydrophobicContact CD1-CB 3.8Å; L515-A545 HydrophobicContact CD2-CB 4.22Å; L541-A545 VanDerWaalsContact O-CB 3.27Å; L541-A545 WeakPolarHBondContact O-CB 3.5Å; L541-A545 PolarHBondContact O-N 3.11Å; V542-A545 PolarHBondContact O-N 3Å; A545-F548 PolarHBondContact O-N 3.28Å; A545-A549 WeakPolarHBondContact O-CB 3.2Å; A545-A549 PolarHBondContact O-N 2.72Å
546L87Confident87.3Confident12 Ų1227 Ų276%0.06316%0.157CC..Hα-helixtrans-65.6-39.9174.8-69.6166.6000112.7V542 H543 A549 S550 I573 L576 Q577V542-L546 HydrophobicContact CG1-CD1 3.96Å; V542-L546 VanDerWaalsContact O-CG 3.27Å; V542-L546 WeakPolarHBondContact O-CG 3.43Å; V542-L546 PolarHBondContact O-N 3Å; H543-L546 PolarHBondContact O-N 3.16Å; L546-A549 PolarHBondContact O-N 3.29Å; L546-S550 PolarHBondContact O-N 3.43Å; L546-S550 PolarHBondContact O-OG 2.79Å; L546-I573 HydrophobicContact CD2-CG2 4.02Å; L546-L576 HydrophobicContact CD2-CB 4.03Å; L546-L576 HydrophobicContact CD2-CD2 3.9Å; L546-L576 HydrophobicContact CD2-CG 3.93Å; L546-L576 HydrophobicContact CG-CD2 4.46Å; L546-Q577 HydrophobicContact CD1-CB 4.08Å; L546-Q577 HydrophobicContact CD1-CG 4.24Å; L546-Q577 HydrophobicContact CD2-CB 3.9Å
547G82.9Confident88Confident34 Ų3429.8 Ų29.835%0.35116%0.161SC..Hα-helixtrans-60.9-49.6174.100000111.8H543 S544 S550 S551H543-G547 PolarHBondContact O-N 3.15Å; S544-G547 PolarHBondContact O-N 3.39Å; G547-S550 WeakPolarHBondContact O-CB 3.49Å; G547-S550 PolarHBondContact O-N 3.5Å; G547-S551 PolarHBondContact O-N 2.78Å; G547-S551 VanDerWaalsContact O-N 3.12Å
548F89.8Confident88.3Confident24 Ų2432.8 Ų32.811%0.10518%0.175CC..Hα-helixtrans-65.8-38.1177.1-176.6-115.6000112.4I415 V423 I446 P448 Y449 S544 A545 S550 S551 L552I415-F548 HydrophobicContact CD1-CE2 4.48Å; V423-F548 HydrophobicContact CG1-CZ 4.16Å; V423-F548 HydrophobicContact CG2-CZ 4.15Å; I446-F548 WeakPolarHBondContact O-CD1 3.47Å; P448-F548 HydrophobicContact CB-CB 4.29Å; P448-F548 HydrophobicContact CB-CG 4.3Å; P448-F548 HydrophobicContact CG-CB 3.78Å; P448-F548 HydrophobicContact CG-CD1 4.44Å; P448-F548 HydrophobicContact CG-CG 4.23Å; Y449-F548 HydrophobicContact CD2-CE1 4.26Å; Y449-F548 AromaticContact CD2-CZ 3.87Å; Y449-F548 HydrophobicContact CD2-CZ 3.87Å; Y449-F548 HydrophobicContact CE2-CE1 4.08Å; Y449-F548 AromaticContact CE2-CZ 3.82Å; Y449-F548 HydrophobicContact CE2-CZ 3.82Å; S544-F548 WeakPolarHBondContact O-CB 3.43Å; S544-F548 PolarHBondContact O-N 2.88Å; A545-F548 PolarHBondContact O-N 3.28Å; F548-S550 VanDerWaalsContact C-N 3.29Å; F548-S550 PolarHBondContact O-N 3.31Å; F548-S551 CarbonylContact O-C 3.56Å; F548-S551 WeakPolarHBondContact O-CA 3.48Å; F548-S551 VanDerWaalsContact O-CB 3.29Å; F548-S551 WeakPolarHBondContact O-CB 3.49Å; F548-S551 PolarHBondContact O-N 2.83Å; F548-S551 VanDerWaalsContact O-N 3.16Å; F548-L552 HydrophobicContact CD1-CD1 3.89Å; F548-L552 HydrophobicContact CD1-CG 4.12Å; F548-L552 HydrophobicContact CE1-CD1 3.56Å; F548-L552 HydrophobicContact CE1-CD2 4.12Å; F548-L552 HydrophobicContact CE1-CG 3.81Å; F548-L552 HydrophobicContact CE2-CD2 4.37Å; F548-L552 HydrophobicContact CE2-CG 4.41Å; F548-L552 HydrophobicContact CZ-CD1 4.16Å; F548-L552 HydrophobicContact CZ-CD2 3.84Å; F548-L552 HydrophobicContact CZ-CG 3.96Å; F548-L552 WeakPolarHBondContact O-CG 3.45Å; F548-L552 PolarHBondContact O-N 3.42Å
549A90.6Very high88.5Confident0 Ų033.4 Ų33.40%018%0.178CC..Hα-helixtrans-62.4-37.6175.100000112.1I446 A545 L546 S551 L552 C553 I573I446-A549 HydrophobicContact CB-CB 3.9Å; I446-A549 HydrophobicContact CG2-CB 3.57Å; A545-A549 WeakPolarHBondContact O-CB 3.2Å; A545-A549 PolarHBondContact O-N 2.72Å; L546-A549 PolarHBondContact O-N 3.29Å; A549-S551 VanDerWaalsContact C-N 3.34Å; A549-L552 WeakPolarHBondContact O-CB 3.44Å; A549-L552 PolarHBondContact O-N 2.93Å; A549-C553 PolarHBondContact O-N 3.37Å; A549-I573 HydrophobicContact CB-CD1 3.45Å; A549-I573 VanDerWaalsContact CB-CD1 3.45Å; A549-I573 HydrophobicContact CB-CG1 3.53Å; A549-I573 WeakPolarHBondContact O-CD1 3.42Å
550S85.6Confident88.8Confident42 Ų4235.8 Ų35.829%0.29419%0.193SC..Hα-helixtrans-64.2-40.2174.2-56.20000111.5L546 G547 F548L546-S550 PolarHBondContact O-N 3.43Å; L546-S550 PolarHBondContact O-OG 2.79Å; G547-S550 WeakPolarHBondContact O-CB 3.49Å; G547-S550 PolarHBondContact O-N 3.5Å; F548-S550 VanDerWaalsContact C-N 3.29Å; F548-S550 PolarHBondContact O-N 3.31Å
551S87.9Confident89.3Confident33 Ų3336.1 Ų36.123%0.23120%0.195CC..Hα-helixtrans-62.2-43170.3-74.20000112.3G413 G547 F548 A549 C553 R554 F555G413-S551 VanDerWaalsContact CA-O 3.27Å; G413-S551 WeakPolarHBondContact CA-O 3.16Å; G413-S551 WeakPolarHBondContact O-CA 3.42Å; G413-S551 WeakPolarHBondContact O-CB 3.35Å; G413-S551 PolarHBondContact O-OG 3.46Å; G547-S551 PolarHBondContact O-N 2.78Å; G547-S551 VanDerWaalsContact O-N 3.12Å; F548-S551 CarbonylContact O-C 3.56Å; F548-S551 WeakPolarHBondContact O-CA 3.48Å; F548-S551 VanDerWaalsContact O-CB 3.29Å; F548-S551 WeakPolarHBondContact O-CB 3.49Å; F548-S551 PolarHBondContact O-N 2.83Å; F548-S551 VanDerWaalsContact O-N 3.16Å; A549-S551 VanDerWaalsContact C-N 3.34Å; S551-C553 PolarHBondContact O-N 3.37Å; S551-R554 PolarHBondContact O-N 3.46Å; S551-F555 PolarHBondContact O-N 3.04Å
552L92.4Very high89.4Confident0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-62.3-41.9177.8-76.6-177.2000112.2I415 V423 L427 I446 F548 A549 R554 F555 V556 L569I415-L552 HydrophobicContact CD1-CD2 3.95Å; V423-L552 HydrophobicContact CG1-CD2 3.76Å; L427-L552 HydrophobicContact CD1-CD2 3.9Å; I446-L552 HydrophobicContact CG2-CD1 4.39Å; F548-L552 HydrophobicContact CD1-CD1 3.89Å; F548-L552 HydrophobicContact CD1-CG 4.12Å; F548-L552 HydrophobicContact CE1-CD1 3.56Å; F548-L552 HydrophobicContact CE1-CD2 4.12Å; F548-L552 HydrophobicContact CE1-CG 3.81Å; F548-L552 HydrophobicContact CE2-CD2 4.37Å; F548-L552 HydrophobicContact CE2-CG 4.41Å; F548-L552 HydrophobicContact CZ-CD1 4.16Å; F548-L552 HydrophobicContact CZ-CD2 3.84Å; F548-L552 HydrophobicContact CZ-CG 3.96Å; F548-L552 WeakPolarHBondContact O-CG 3.45Å; F548-L552 PolarHBondContact O-N 3.42Å; A549-L552 WeakPolarHBondContact O-CB 3.44Å; A549-L552 PolarHBondContact O-N 2.93Å; L552-R554 VanDerWaalsContact C-N 3.27Å; L552-R554 PolarHBondContact O-N 3.45Å; L552-F555 WeakPolarHBondContact O-CB 3.4Å; L552-F555 PolarHBondContact O-N 3.04Å; L552-V556 WeakPolarHBondContact O-CG1 3.31Å; L552-V556 WeakPolarHBondContact O-CG2 3.48Å; L552-V556 PolarHBondContact O-N 3.14Å; L552-L569 HydrophobicContact CB-CD1 4.1Å
553C91.1Very high89.6Confident19 Ų1943 Ų4313%0.12822%0.218CC..Hα-helixtrans-52.5-46.9175.5-77.70000111.9A549 S551 V556 E557 L569 I573A549-C553 PolarHBondContact O-N 3.37Å; S551-C553 PolarHBondContact O-N 3.37Å; C553-V556 VanDerWaalsContact O-CG2 3.23Å; C553-V556 WeakPolarHBondContact O-CG2 3.19Å; C553-E557 VanDerWaalsContact O-CG 3.29Å; C553-E557 WeakPolarHBondContact O-CG 3.09Å; C553-E557 PolarHBondContact O-N 2.88Å; C553-E557 VanDerWaalsContact O-N 3.15Å; C553-L569 VanDerWaalsContact SG-CB 3.6Å; C553-I573 WeakPolarHBondContact SG-CD1 3.39Å
554R88.5Confident90.1Very high44 Ų4439.1 Ų39.117%0.16620%0.204CC..Hα-helixtrans-72.4-29.6179.1-61.9-17969.886.93.5113I97 K412 S551 L552I97-R554 VanDerWaalsContact CG2-NH1 3.33Å; I97-R554 PolarHBondContact O-NH1 3.39Å; K412-R554 WeakPolarHBondContact O-CB 3.28Å; K412-R554 WeakPolarHBondContact O-CD 3.47Å; K412-R554 PolarHBondContact O-NE 2.92Å; S551-R554 PolarHBondContact O-N 3.46Å; L552-R554 VanDerWaalsContact C-N 3.27Å; L552-R554 PolarHBondContact O-N 3.45Å
555F93Very high90.4Very high0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-67.2-50.3174179.7-84.9000111L406 A409 V410 I415 H424 L427 S551 L552 E557 Q558 M559 L562L406-F555 HydrophobicContact CD1-CE2 3.86Å; L406-F555 HydrophobicContact CD1-CZ 3.55Å; A409-F555 HydrophobicContact CB-CD1 4.33Å; A409-F555 HydrophobicContact CB-CD2 3.48Å; A409-F555 VanDerWaalsContact CB-CD2 3.48Å; A409-F555 HydrophobicContact CB-CE1 4.35Å; A409-F555 HydrophobicContact CB-CE2 3.52Å; A409-F555 HydrophobicContact CB-CG 3.91Å; A409-F555 HydrophobicContact CB-CZ 3.96Å; A409-F555 WeakPolarHBondContact CB-O 3.4Å; A409-F555 WeakPolarHBondContact O-CD2 3.33Å; V410-F555 HydrophobicContact CG2-CD2 4.49Å; V410-F555 HydrophobicContact CG2-CE2 3.89Å; I415-F555 HydrophobicContact CD1-CB 3.78Å; I415-F555 HydrophobicContact CD1-CD2 3.42Å; I415-F555 VanDerWaalsContact CD1-CD2 3.42Å; I415-F555 HydrophobicContact CD1-CE2 4.13Å; I415-F555 HydrophobicContact CD1-CG 3.66Å; I415-F555 HydrophobicContact CG1-CD2 4.2Å; H424-F555 HydrophobicContact CB-CZ 4.07Å; L427-F555 HydrophobicContact CD1-CD1 4.38Å; L427-F555 HydrophobicContact CD1-CE1 4.35Å; S551-F555 PolarHBondContact O-N 3.04Å; L552-F555 WeakPolarHBondContact O-CB 3.4Å; L552-F555 PolarHBondContact O-N 3.04Å; F555-E557 PolarHBondContact O-N 2.97Å; F555-Q558 PolarHBondContact O-N 3.41Å; F555-Q558 VanDerWaalsContact O-N 3.13Å; F555-M559 HydrophobicContact CD1-CG 4.48Å; F555-M559 HydrophobicContact CE1-CG 4.07Å; F555-M559 HydrophobicContact CZ-CG 4.48Å; F555-L562 HydrophobicContact CD1-CD1 4.26Å; F555-L562 HydrophobicContact CE1-CD1 3.9Å
556V93.7Very high90.3Very high1 Ų143.1 Ų43.11%0.00622%0.215CC..Hα-helixtrans-68.7-23.1-178.8-58.30000112.8L427 L552 C553 Q558 M559 L562 L565 R566 L569L427-V556 HydrophobicContact CD1-CG1 4.38Å; L552-V556 WeakPolarHBondContact O-CG1 3.31Å; L552-V556 WeakPolarHBondContact O-CG2 3.48Å; L552-V556 PolarHBondContact O-N 3.14Å; C553-V556 VanDerWaalsContact O-CG2 3.23Å; C553-V556 WeakPolarHBondContact O-CG2 3.19Å; V556-Q558 PolarHBondContact O-N 3.11Å; V556-M559 PolarHBondContact O-N 3.43Å; V556-L562 HydrophobicContact CB-CB 4.04Å; V556-L562 HydrophobicContact CG1-CB 4.02Å; V556-L562 HydrophobicContact CG1-CD1 3.89Å; V556-L565 HydrophobicContact CG1-CB 4.09Å; V556-L565 HydrophobicContact CG1-CD1 4.43Å; V556-R566 HydrophobicContact CB-CB 4.48Å; V556-R566 HydrophobicContact CG2-CB 3.89Å; V556-R566 HydrophobicContact CG2-CG 4.37Å; V556-L569 HydrophobicContact CG2-CD1 4.41Å
557E90.7Very high90.5Very high92 Ų9246.1 Ų46.143%0.4324%0.237SC..THydrogen-bonded Turntrans-59-25.4170.9-82.3167.8-16600113.7C553 F555 R566C553-E557 VanDerWaalsContact O-CG 3.29Å; C553-E557 WeakPolarHBondContact O-CG 3.09Å; C553-E557 PolarHBondContact O-N 2.88Å; C553-E557 VanDerWaalsContact O-N 3.15Å; F555-E557 PolarHBondContact O-N 2.97Å; E557-R566 HydrophobicContact CG-CG 4.33Å
558Q89.7Confident90.8Very high64 Ų6447.3 Ų47.330%0.29924%0.235SC..THydrogen-bonded Turntrans-97.5-2.7179.8-63.9-58.2-76.600113.7A409 K412 F555 V556A409-Q558 HydrophobicContact CB-CB 3.77Å; K412-Q558 HydrophobicContact CB-CG 4.23Å; K412-Q558 HydrophobicContact CD-CG 3.66Å; K412-Q558 VanDerWaalsContact CE-OE1 3.25Å; K412-Q558 HydrophobicContact CG-CG 4.07Å; F555-Q558 PolarHBondContact O-N 3.41Å; F555-Q558 VanDerWaalsContact O-N 3.13Å; V556-Q558 PolarHBondContact O-N 3.11Å
559M91.6Very high90.8Very high13 Ų1346.2 Ų46.26%0.06423%0.231CC..  trans-12197.7-173.6-63.1-61.2-66.700109.6P405 A409 H424 F555 V556 E561 L562P405-M559 HydrophobicContact CB-SD 4.37Å; A409-M559 HydrophobicContact CB-CG 3.78Å; A409-M559 HydrophobicContact CB-SD 4.01Å; H424-M559 WeakPolarHBondContact NE2-CE 3.39Å; F555-M559 HydrophobicContact CD1-CG 4.48Å; F555-M559 HydrophobicContact CE1-CG 4.07Å; F555-M559 HydrophobicContact CZ-CG 4.48Å; V556-M559 PolarHBondContact O-N 3.43Å; M559-E561 HydrophobicContact CE-CG 4.36Å; M559-E561 VanDerWaalsContact CE-OE1 3.27Å; M559-E561 WeakPolarHBondContact CE-OE1 3.23Å; M559-E561 PolarHBondContact O-N 3.11Å; M559-L562 HydrophobicContact CB-CB 4.11Å; M559-L562 HydrophobicContact CB-CD1 3.79Å; M559-L562 HydrophobicContact CB-CG 3.84Å; M559-L562 HydrophobicContact CG-CD1 4.19Å; M559-L562 WeakPolarHBondContact O-CA 3.38Å; M559-L562 WeakPolarHBondContact O-CB 3.4Å; M559-L562 PolarHBondContact O-N 3.26Å
560D90.7Very high90.6Very high130 Ų13048.7 Ų48.770%0.69525%0.247SC*.G310 helixtrans-57.9-36.8-175.7-67.2-35.1000113L562 W563D560-L562 PolarHBondContact O-N 3.11Å; D560-L562 VanDerWaalsContact O-N 3.15Å; D560-W563 WeakPolarHBondContact O-CB 3.35Å; D560-W563 PolarHBondContact O-N 2.98Å; D560-W563 VanDerWaalsContact O-N 3.14Å
561E92.7Very high90.3Very high98 Ų9852 Ų5246%0.45826%0.261SS..G310 helixtrans-62.3-18.3175.159.6-174.1-163.300113.8H424 L428 M559H424-E561 IonicContact CD2-OE1 3.17Å; H424-E561 IonicContact CE1-OE1 3.06Å; H424-E561 PolarHBondContact CE1-OE1 3.49Å; H424-E561 IonicContact NE2-OE1 3Å; H424-E561 PolarHBondContact NE2-OE1 3.07Å; L428-E561 HydrophobicContact CD2-CG 4.06Å; M559-E561 HydrophobicContact CE-CG 4.36Å; M559-E561 VanDerWaalsContact CE-OE1 3.27Å; M559-E561 WeakPolarHBondContact CE-OE1 3.23Å; M559-E561 PolarHBondContact O-N 3.11Å
562L93.1Very high90.2Very high0 Ų050.9 Ų50.90%025%0.252CS..G310 helixtrans-98.917.4177.8-55.2-177.4000113.2L427 L428 L431 F555 V556 M559 D560 A564 L565 R566L427-L562 HydrophobicContact CB-CD1 4.36Å; L427-L562 HydrophobicContact CB-CD2 4.23Å; L427-L562 HydrophobicContact CD1-CD1 4.11Å; L428-L562 HydrophobicContact CD2-CD2 3.74Å; L428-L562 HydrophobicContact CG-CD2 4.27Å; L431-L562 HydrophobicContact CD1-CD2 3.43Å; L431-L562 VanDerWaalsContact CD1-CD2 3.43Å; F555-L562 HydrophobicContact CD1-CD1 4.26Å; F555-L562 HydrophobicContact CE1-CD1 3.9Å; V556-L562 HydrophobicContact CB-CB 4.04Å; V556-L562 HydrophobicContact CG1-CB 4.02Å; V556-L562 HydrophobicContact CG1-CD1 3.89Å; M559-L562 HydrophobicContact CB-CB 4.11Å; M559-L562 HydrophobicContact CB-CD1 3.79Å; M559-L562 HydrophobicContact CB-CG 3.84Å; M559-L562 HydrophobicContact CG-CD1 4.19Å; M559-L562 WeakPolarHBondContact O-CA 3.38Å; M559-L562 WeakPolarHBondContact O-CB 3.4Å; M559-L562 PolarHBondContact O-N 3.26Å; D560-L562 PolarHBondContact O-N 3.11Å; D560-L562 VanDerWaalsContact O-N 3.15Å; L562-A564 PolarHBondContact O-N 3.19Å; L562-L565 PolarHBondContact O-N 2.97Å; L562-R566 PolarHBondContact O-N 3.06Å; L562-R566 VanDerWaalsContact O-N 3.15Å
563W92.4Very high89.7Confident165 Ų16551.5 Ų51.563%0.62526%0.255SS*.Hα-helixtrans-52.1-33.5-17669.7-91.7000114.5D560 R566 S567D560-W563 WeakPolarHBondContact O-CB 3.35Å; D560-W563 PolarHBondContact O-N 2.98Å; D560-W563 VanDerWaalsContact O-N 3.14Å; W563-R566 WeakPolarHBondContact O-CB 3.38Å; W563-R566 PolarHBondContact O-N 3.01Å; W563-S567 PolarHBondContact O-N 3.26Å; W563-S567 VanDerWaalsContact O-N 3.13Å; W563-S567 PolarHBondContact O-OG 3.38Å
564A91.4Very high89.1Confident22 Ų2254.9 Ų54.918%0.18227%0.268CS..Hα-helixtrans-64.3-43.8179.100000110.9L431 L562 S567 L568L431-A564 HydrophobicContact CD2-CB 3.85Å; L562-A564 PolarHBondContact O-N 3.19Å; A564-S567 PolarHBondContact O-N 3.24Å; A564-L568 WeakPolarHBondContact O-CD1 3.44Å; A564-L568 VanDerWaalsContact O-CG 3.25Å; A564-L568 WeakPolarHBondContact O-CG 3.34Å; A564-L568 PolarHBondContact O-N 2.91Å
565L92.2Very high88.6Confident0 Ų054.2 Ų54.20%027%0.271CS..Hα-helixtrans-68.1-36.2175.3-67.6174.7000112L427 L431 M434 L442 V556 L562 S567 L568 L569L427-L565 HydrophobicContact CB-CD1 4.09Å; L427-L565 HydrophobicContact CD1-CD1 4.41Å; L427-L565 HydrophobicContact CD2-CD1 3.87Å; L427-L565 HydrophobicContact CG-CD1 4.33Å; L431-L565 HydrophobicContact CD2-CG 4.09Å; L431-L565 HydrophobicContact CG-CD1 4.44Å; L431-L565 HydrophobicContact CG-CG 4.48Å; M434-L565 HydrophobicContact CE-CD2 4.25Å; M434-L565 HydrophobicContact SD-CD2 4.01Å; L442-L565 HydrophobicContact CD2-CD2 3.8Å; V556-L565 HydrophobicContact CG1-CB 4.09Å; V556-L565 HydrophobicContact CG1-CD1 4.43Å; L562-L565 PolarHBondContact O-N 2.97Å; L565-S567 PolarHBondContact O-N 3.38Å; L565-L568 PolarHBondContact O-N 3.48Å; L565-L569 HydrophobicContact CB-CD1 4.18Å; L565-L569 HydrophobicContact CB-CG 4.41Å; L565-L569 WeakPolarHBondContact O-CB 3.39Å; L565-L569 WeakPolarHBondContact O-CG 3.32Å; L565-L569 PolarHBondContact O-N 3.42Å
566R90.2Very high88Confident113 Ų11354.4 Ų54.443%0.42627%0.272SS..Hα-helixtrans-55.9-34.4173.3-170.5-178.676.3-170.13.4111.9V556 E557 L562 W563 P570V556-R566 HydrophobicContact CB-CB 4.48Å; V556-R566 HydrophobicContact CG2-CB 3.89Å; V556-R566 HydrophobicContact CG2-CG 4.37Å; E557-R566 HydrophobicContact CG-CG 4.33Å; L562-R566 PolarHBondContact O-N 3.06Å; L562-R566 VanDerWaalsContact O-N 3.15Å; W563-R566 WeakPolarHBondContact O-CB 3.38Å; W563-R566 PolarHBondContact O-N 3.01Å; R566-P570 VanDerWaalsContact O-CD 3.3Å; R566-P570 WeakPolarHBondContact O-CD 3.45Å; R566-P570 WeakPolarHBondContact O-CG 3.35Å
567S89.6Confident87.2Confident74 Ų7457.6 Ų57.652%0.51729%0.287SS..Hα-helixtrans-83.9-35.9179.7-50.70000112.7W563 A564 L565W563-S567 PolarHBondContact O-N 3.26Å; W563-S567 VanDerWaalsContact O-N 3.13Å; W563-S567 PolarHBondContact O-OG 3.38Å; A564-S567 PolarHBondContact O-N 3.24Å; L565-S567 PolarHBondContact O-N 3.38Å
568L90.4Very high86.2Confident59 Ų5954.5 Ų54.531%0.30927%0.272SS..Hα-helixtrans-84.3-39.7-174.2-68.2166.5000114.1L436 L442 A564 L565 F572L436-L568 HydrophobicContact CD2-CD1 3.53Å; L436-L568 HydrophobicContact CD2-CD2 4.4Å; L442-L568 HydrophobicContact CD1-CB 4.31Å; L442-L568 HydrophobicContact CD2-CB 4.43Å; A564-L568 WeakPolarHBondContact O-CD1 3.44Å; A564-L568 VanDerWaalsContact O-CG 3.25Å; A564-L568 WeakPolarHBondContact O-CG 3.34Å; A564-L568 PolarHBondContact O-N 2.91Å; L565-L568 PolarHBondContact O-N 3.48Å; L568-F572 VanDerWaalsContact O-CB 3.25Å; L568-F572 WeakPolarHBondContact O-CB 3.3Å; L568-F572 PolarHBondContact O-N 3.31Å
569L89.6Confident85.3Confident2 Ų252.3 Ų52.31%0.0126%0.263CS..Hα-helixtrans-64.3-43.1-170.6-73.6175.1000114.6L442 I446 L552 C553 V556 L565 D571 F572 I573L442-L569 HydrophobicContact CD2-CD2 4.45Å; I446-L569 HydrophobicContact CG2-CD2 3.91Å; L552-L569 HydrophobicContact CB-CD1 4.1Å; C553-L569 VanDerWaalsContact SG-CB 3.6Å; V556-L569 HydrophobicContact CG2-CD1 4.41Å; L565-L569 HydrophobicContact CB-CD1 4.18Å; L565-L569 HydrophobicContact CB-CG 4.41Å; L565-L569 WeakPolarHBondContact O-CB 3.39Å; L565-L569 WeakPolarHBondContact O-CG 3.32Å; L565-L569 PolarHBondContact O-N 3.42Å; L569-D571 PolarHBondContact O-N 3.29Å; L569-F572 HydrophobicContact CD2-CD1 4.33Å; L569-F572 PolarHBondContact O-N 3.44Å; L569-I573 HydrophobicContact CB-CD1 4.14Å; L569-I573 WeakPolarHBondContact O-CB 3.39Å; L569-I573 WeakPolarHBondContact O-CD1 3.25Å; L569-I573 WeakPolarHBondContact O-CG1 3.2Å; L569-I573 PolarHBondContact O-N 2.93Å
570P85.3Confident83.9Confident52 Ų5252.2 Ų52.234%0.33826%0.263SS..Hα-helixtrans-58-47.7-172.5-27.836.4000114.1R566 K574R566-P570 VanDerWaalsContact O-CD 3.3Å; R566-P570 WeakPolarHBondContact O-CD 3.45Å; R566-P570 WeakPolarHBondContact O-CG 3.35Å; P570-K574 WeakPolarHBondContact O-CG 3.49Å; P570-K574 PolarHBondContact O-N 3.43Å
571D81.1Confident82.6Confident110 Ų11047.7 Ų47.759%0.58824%0.243SC*.Hα-helixtrans-75.9-35-179.5-68.9-26000111.9L569 I573 K574 A575L569-D571 PolarHBondContact O-N 3.29Å; D571-I573 PolarHBondContact O-N 2.97Å; D571-K574 PolarHBondContact O-N 3.1Å; D571-K574 IonicContact OD1-NZ 2.79Å; D571-A575 WeakPolarHBondContact O-CB 3.35Å; D571-A575 PolarHBondContact O-N 2.86Å
572F84.1Confident81.4Confident11 Ų1146.8 Ų46.85%0.04825%0.253CS..Hα-helixtrans-59.3-44172.9174.7-108.6000112.3H439 L442 L443 I446 W519 L568 L569 A575 L576H439-F572 HydrophobicContact CB-CE2 4.04Å; L442-F572 HydrophobicContact CB-CD1 4.04Å; L442-F572 HydrophobicContact CB-CD2 4.39Å; L442-F572 HydrophobicContact CB-CE1 3.68Å; L442-F572 HydrophobicContact CB-CE2 4.09Å; L442-F572 HydrophobicContact CB-CG 4.37Å; L442-F572 HydrophobicContact CB-CZ 3.7Å; L442-F572 HydrophobicContact CD1-CB 4.43Å; L442-F572 HydrophobicContact CD1-CD1 4.45Å; L442-F572 HydrophobicContact CD1-CD2 4.13Å; L442-F572 HydrophobicContact CD1-CG 4.08Å; L443-F572 HydrophobicContact CB-CZ 4.47Å; L443-F572 HydrophobicContact CD2-CE1 4.48Å; L443-F572 HydrophobicContact CD2-CE2 4.18Å; L443-F572 HydrophobicContact CD2-CZ 3.51Å; L443-F572 HydrophobicContact CG-CE2 4.28Å; L443-F572 HydrophobicContact CG-CZ 3.7Å; I446-F572 HydrophobicContact CD1-CE1 3.88Å; I446-F572 HydrophobicContact CD1-CZ 4.47Å; I446-F572 HydrophobicContact CG1-CE1 4.4Å; I446-F572 HydrophobicContact CG2-CE1 4.3Å; W519-F572 HydrophobicContact CD2-CE2 4.38Å; W519-F572 HydrophobicContact CE3-CD2 4.48Å; W519-F572 AromaticContact CE3-CE2 3.9Å; W519-F572 HydrophobicContact CE3-CE2 3.9Å; W519-F572 AromaticContact CH2-CD2 3.53Å; W519-F572 HydrophobicContact CH2-CD2 3.53Å; W519-F572 AromaticContact CH2-CE2 3.69Å; W519-F572 HydrophobicContact CH2-CE2 3.69Å; W519-F572 HydrophobicContact CZ2-CD2 4.26Å; W519-F572 HydrophobicContact CZ2-CE2 4.21Å; W519-F572 AromaticContact CZ3-CD2 3.66Å; W519-F572 HydrophobicContact CZ3-CD2 3.66Å; W519-F572 AromaticContact CZ3-CE2 3.52Å; W519-F572 HydrophobicContact CZ3-CE2 3.52Å; W519-F572 HydrophobicContact CZ3-CZ 4.41Å; L568-F572 VanDerWaalsContact O-CB 3.25Å; L568-F572 WeakPolarHBondContact O-CB 3.3Å; L568-F572 PolarHBondContact O-N 3.31Å; L569-F572 HydrophobicContact CD2-CD1 4.33Å; L569-F572 PolarHBondContact O-N 3.44Å; F572-A575 PolarHBondContact O-N 3.21Å; F572-L576 PolarHBondContact O-N 3.41Å
573I83.5Confident80.6Confident13 Ų1351.8 Ų51.87%0.06728%0.276CS..Hα-helixtrans-65.2-44.4178.2-68.7163.2000111L546 A549 C553 L569 D571 A575 L576 Q577L546-I573 HydrophobicContact CD2-CG2 4.02Å; A549-I573 HydrophobicContact CB-CD1 3.45Å; A549-I573 VanDerWaalsContact CB-CD1 3.45Å; A549-I573 HydrophobicContact CB-CG1 3.53Å; A549-I573 WeakPolarHBondContact O-CD1 3.42Å; C553-I573 WeakPolarHBondContact SG-CD1 3.39Å; L569-I573 HydrophobicContact CB-CD1 4.14Å; L569-I573 WeakPolarHBondContact O-CB 3.39Å; L569-I573 WeakPolarHBondContact O-CD1 3.25Å; L569-I573 WeakPolarHBondContact O-CG1 3.2Å; L569-I573 PolarHBondContact O-N 2.93Å; D571-I573 PolarHBondContact O-N 2.97Å; I573-A575 VanDerWaalsContact C-N 3.31Å; I573-A575 PolarHBondContact O-N 3.21Å; I573-L576 PolarHBondContact O-N 3.39Å; I573-Q577 VanDerWaalsContact O-CB 3.29Å; I573-Q577 WeakPolarHBondContact O-CB 3.43Å; I573-Q577 PolarHBondContact O-N 3.24Å
574K77.7Confident80.1Confident90 Ų9044.3 Ų44.339%0.39125%0.249SC..Hα-helixtrans-59.2-44.3176.6-71.5172.7-172.4164.80111.3P570 D571 Q577 F578P570-K574 WeakPolarHBondContact O-CG 3.49Å; P570-K574 PolarHBondContact O-N 3.43Å; D571-K574 PolarHBondContact O-N 3.1Å; D571-K574 IonicContact OD1-NZ 2.79Å; K574-Q577 PolarHBondContact O-N 3.35Å; K574-F578 WeakPolarHBondContact O-CD2 3.33Å; K574-F578 PolarHBondContact O-N 2.95Å
575A78.3Confident79.5Confident29 Ų2944.6 Ų44.624%0.2425%0.247CC..Hα-helixtrans-61.2-44.8176.800000111.8W519 D571 F572 I573 N579W519-A575 HydrophobicContact CH2-CB 3.6Å; W519-A575 HydrophobicContact CZ3-CB 3.78Å; D571-A575 WeakPolarHBondContact O-CB 3.35Å; D571-A575 PolarHBondContact O-N 2.86Å; F572-A575 PolarHBondContact O-N 3.21Å; I573-A575 VanDerWaalsContact C-N 3.31Å; I573-A575 PolarHBondContact O-N 3.21Å; A575-N579 WeakPolarHBondContact O-CA 3.2Å; A575-N579 PolarHBondContact O-N 3.11Å
576L80.9Confident79Confident4 Ų446.9 Ų46.92%0.02126%0.261CS..Hα-helixtrans-68.2-40.5178.6-176.665.5000112.5L443 I446 W519 L546 F572 I573 F578 N579L443-L576 HydrophobicContact CD2-CD1 4.21Å; L443-L576 HydrophobicContact CD2-CD2 4.3Å; I446-L576 HydrophobicContact CD1-CD2 3.3Å; W519-L576 HydrophobicContact CE3-CB 4.04Å; W519-L576 HydrophobicContact CE3-CD1 3.89Å; W519-L576 HydrophobicContact CZ3-CB 3.9Å; L546-L576 HydrophobicContact CD2-CB 4.03Å; L546-L576 HydrophobicContact CD2-CD2 3.9Å; L546-L576 HydrophobicContact CD2-CG 3.93Å; L546-L576 HydrophobicContact CG-CD2 4.46Å; F572-L576 PolarHBondContact O-N 3.41Å; I573-L576 PolarHBondContact O-N 3.39Å; L576-F578 PolarHBondContact O-N 3.02Å; L576-N579 PolarHBondContact O-N 3.03Å
577Q75.4Confident78.9Confident69 Ų6941.5 Ų41.532%0.32224%0.241SC..Hα-helixtrans-60.3-49.4-176.6179.8175.20.900111.8S93 L546 I573 K574S93-Q577 PolarHBondContact OG-NE2 2.99Å; L546-Q577 HydrophobicContact CD1-CB 4.08Å; L546-Q577 HydrophobicContact CD1-CG 4.24Å; L546-Q577 HydrophobicContact CD2-CB 3.9Å; I573-Q577 VanDerWaalsContact O-CB 3.29Å; I573-Q577 WeakPolarHBondContact O-CB 3.43Å; I573-Q577 PolarHBondContact O-N 3.24Å; K574-Q577 PolarHBondContact O-N 3.35Å
578F70Confident78.6Confident26 Ų2638.9 Ų38.911%0.11422%0.221CC..Hα-helixtrans-83.6-29.5-177.4-60.1-58.4000111.7K574 L576 V580 I585 M588 R595K574-F578 WeakPolarHBondContact O-CD2 3.33Å; K574-F578 PolarHBondContact O-N 2.95Å; L576-F578 PolarHBondContact O-N 3.02Å; F578-V580 HydrophobicContact CB-CG2 3.51Å; F578-V580 WeakPolarHBondContact O-CG1 3.18Å; F578-V580 PolarHBondContact O-N 3.08Å; F578-I585 HydrophobicContact CD2-CB 4.36Å; F578-I585 HydrophobicContact CD2-CG1 4.12Å; F578-I585 HydrophobicContact CD2-CG2 3.91Å; F578-I585 HydrophobicContact CE2-CG2 3.83Å; F578-M588 HydrophobicContact CB-CE 4.36Å; F578-M588 HydrophobicContact CB-CG 4.23Å; F578-M588 HydrophobicContact CD1-CB 3.39Å; F578-M588 HydrophobicContact CD1-CE 3.68Å; F578-M588 HydrophobicContact CD1-CG 3.93Å; F578-M588 HydrophobicContact CD2-CB 4.29Å; F578-M588 HydrophobicContact CE1-CB 3.46Å; F578-M588 VanDerWaalsContact CE1-CB 3.46Å; F578-M588 HydrophobicContact CE1-CE 4.45Å; F578-M588 HydrophobicContact CE1-CG 4.48Å; F578-M588 HydrophobicContact CE2-CB 4.36Å; F578-M588 HydrophobicContact CG-CB 3.81Å; F578-M588 HydrophobicContact CG-CE 4.41Å; F578-M588 HydrophobicContact CG-CG 4.08Å; F578-M588 HydrophobicContact CZ-CB 3.96Å; F578-R595 PolarHBondContact O-NE 2.87Å; F578-R595 PolarHBondContact O-NH2 3.46Å
579N70.2Confident78.1Confident18 Ų1839.8 Ų39.810%0.09622%0.224CC..  trans46.149.5-174.3-166.99.5000111M518 K521 A575 L576M518-N579 PolarHBondContact O-ND2 3.02Å; M518-N579 PolarHBondContact O-OD1 2.96Å; K521-N579 WeakPolarHBondContact CG-OD1 3.31Å; A575-N579 WeakPolarHBondContact O-CA 3.2Å; A575-N579 PolarHBondContact O-N 3.11Å; L576-N579 PolarHBondContact O-N 3.03Å
580V63.5Low77.8Confident11 Ų1139.9 Ų39.97%0.06722%0.224CC..SBendtrans-128.1169.2178.3-67.40000109.1F578 L584 I585 M588 R595F578-V580 HydrophobicContact CB-CG2 3.51Å; F578-V580 WeakPolarHBondContact O-CG1 3.18Å; F578-V580 PolarHBondContact O-N 3.08Å; V580-L584 HydrophobicContact CB-CB 4.1Å; V580-L584 HydrophobicContact CB-CD1 4.18Å; V580-L584 HydrophobicContact CG2-CB 3.87Å; V580-I585 HydrophobicContact CG2-CG1 4.26Å; V580-M588 HydrophobicContact CG1-SD 4.4Å; V580-M588 HydrophobicContact CG2-CG 4.14Å; V580-R595 HydrophobicContact CG1-CB 4.01Å; V580-R595 HydrophobicContact CG1-CG 3.57Å
581A63.8Low77.2Confident35 Ų3540.5 Ų40.529%0.28922%0.222SC..  trans-60.6145.7168.500000110.4E583 L584A581-E583 HydrophobicContact CB-CG 4.04Å; A581-E583 PolarHBondContact O-N 3.49Å; A581-E583 VanDerWaalsContact O-N 3.1Å; A581-L584 PolarHBondContact O-N 2.99Å
582A67.4Low76.9Confident80 Ų8037.6 Ų37.666%0.66122%0.219SC*.G310 helixtrans-54.1-34.9-174.500000113L584 I585A582-L584 PolarHBondContact O-N 2.82Å; A582-I585 HydrophobicContact CB-CD1 4.42Å; A582-I585 WeakPolarHBondContact O-CB 3.15Å; A582-I585 WeakPolarHBondContact O-CG1 3.4Å; A582-I585 PolarHBondContact O-N 3.33Å
583E76.4Confident76.9Confident105 Ų10537.3 Ų37.349%0.49122%0.218SC..G310 helixtrans-61.9-22.5177.469.1-165.5178.300114.8A581 Y602A581-E583 HydrophobicContact CB-CG 4.04Å; A581-E583 PolarHBondContact O-N 3.49Å; A581-E583 VanDerWaalsContact O-N 3.1Å; E583-Y602 HydrophobicContact CB-CE2 3.81Å; E583-Y602 HydrophobicContact CG-CD2 4.48Å; E583-Y602 HydrophobicContact CG-CE2 3.97Å; E583-Y602 PolarHBondContact OE2-OH 2.79Å
584L81.9Confident76.9Confident8 Ų842.9 Ų42.94%0.04224%0.244CC..G310 helixtrans-90.2-13179.9-60.3-178.8000112.7V580 A581 A582 L587 M588 A598 R599 Y602V580-L584 HydrophobicContact CB-CB 4.1Å; V580-L584 HydrophobicContact CB-CD1 4.18Å; V580-L584 HydrophobicContact CG2-CB 3.87Å; A581-L584 PolarHBondContact O-N 2.99Å; A582-L584 PolarHBondContact O-N 2.82Å; L584-L587 PolarHBondContact O-N 3.24Å; L584-L587 VanDerWaalsContact O-N 3.14Å; L584-M588 WeakPolarHBondContact O-CG 3.29Å; L584-M588 PolarHBondContact O-N 2.91Å; L584-M588 VanDerWaalsContact O-N 3.16Å; L584-A598 HydrophobicContact CB-CB 4.43Å; L584-R599 HydrophobicContact CD1-CG 3.6Å; L584-Y602 HydrophobicContact CD2-CD2 3.77Å; L584-Y602 HydrophobicContact CD2-CG 3.74Å
585I77.6Confident77Confident27 Ų2743.6 Ų43.614%0.13824%0.244CC..Hα-helixtrans-54.5-47.2-176.3-66.2176.2000112.1F578 V580 A582 L587 M588F578-I585 HydrophobicContact CD2-CB 4.36Å; F578-I585 HydrophobicContact CD2-CG1 4.12Å; F578-I585 HydrophobicContact CD2-CG2 3.91Å; F578-I585 HydrophobicContact CE2-CG2 3.83Å; V580-I585 HydrophobicContact CG2-CG1 4.26Å; A582-I585 HydrophobicContact CB-CD1 4.42Å; A582-I585 WeakPolarHBondContact O-CB 3.15Å; A582-I585 WeakPolarHBondContact O-CG1 3.4Å; A582-I585 PolarHBondContact O-N 3.33Å; I585-L587 PolarHBondContact O-N 2.99Å; I585-M588 WeakPolarHBondContact O-CB 3.49Å; I585-M588 PolarHBondContact O-N 3.46Å; I585-M588 VanDerWaalsContact O-N 3.1Å
586P82.2Confident77.2Confident48 Ų4845.5 Ų45.531%0.31226%0.26SS..Hα-helixtrans-59.7-34.6-179.9-24.134.8000113.4I609P586-I609 HydrophobicContact CB-CG1 4.47Å; P586-I609 WeakPolarHBondContact O-CD1 3.38Å; P586-I609 VanDerWaalsContact O-CG1 3.23Å; P586-I609 WeakPolarHBondContact O-CG1 3.27Å
587L87.4Confident77.6Confident0 Ų047.6 Ų47.60%027%0.267CS..Hα-helixtrans-77.4-27-179.4-59.3175.5000112.3L584 I585 E589 I590 V593 A598 L601 Y602 Y606 V612L584-L587 PolarHBondContact O-N 3.24Å; L584-L587 VanDerWaalsContact O-N 3.14Å; I585-L587 PolarHBondContact O-N 2.99Å; L587-E589 PolarHBondContact O-N 3.09Å; L587-I590 HydrophobicContact CD2-CD1 4.24Å; L587-I590 WeakPolarHBondContact O-CB 3.47Å; L587-I590 PolarHBondContact O-N 3.16Å; L587-V593 WeakPolarHBondContact O-CB 3.25Å; L587-V593 WeakPolarHBondContact O-CG1 3.42Å; L587-A598 HydrophobicContact CB-CB 4.19Å; L587-L601 HydrophobicContact CD1-CB 4.07Å; L587-Y602 HydrophobicContact CD1-CD2 4.19Å; L587-Y606 WeakPolarHBondContact CD1-O 3.38Å; L587-V612 HydrophobicContact CD2-CG2 4.06Å
588M83.7Confident78.2Confident19 Ų1944.3 Ų44.39%0.09425%0.252CS..Hα-helixtrans-70.9-15.6177.4-67.2-69.1-59.800113.1F578 V580 L584 I585 I590 R595 A598F578-M588 HydrophobicContact CB-CE 4.36Å; F578-M588 HydrophobicContact CB-CG 4.23Å; F578-M588 HydrophobicContact CD1-CB 3.39Å; F578-M588 HydrophobicContact CD1-CE 3.68Å; F578-M588 HydrophobicContact CD1-CG 3.93Å; F578-M588 HydrophobicContact CD2-CB 4.29Å; F578-M588 HydrophobicContact CE1-CB 3.46Å; F578-M588 VanDerWaalsContact CE1-CB 3.46Å; F578-M588 HydrophobicContact CE1-CE 4.45Å; F578-M588 HydrophobicContact CE1-CG 4.48Å; F578-M588 HydrophobicContact CE2-CB 4.36Å; F578-M588 HydrophobicContact CG-CB 3.81Å; F578-M588 HydrophobicContact CG-CE 4.41Å; F578-M588 HydrophobicContact CG-CG 4.08Å; F578-M588 HydrophobicContact CZ-CB 3.96Å; V580-M588 HydrophobicContact CG1-SD 4.4Å; V580-M588 HydrophobicContact CG2-CG 4.14Å; L584-M588 WeakPolarHBondContact O-CG 3.29Å; L584-M588 PolarHBondContact O-N 2.91Å; L584-M588 VanDerWaalsContact O-N 3.16Å; I585-M588 WeakPolarHBondContact O-CB 3.49Å; I585-M588 PolarHBondContact O-N 3.46Å; I585-M588 VanDerWaalsContact O-N 3.1Å; M588-I590 VanDerWaalsContact C-N 3.26Å; M588-R595 HydrophobicContact CE-CG 4.17Å; M588-A598 HydrophobicContact CG-CB 4.28Å; M588-A598 HydrophobicContact SD-CB 3.7Å
589E80.3Confident79Confident79 Ų7950.4 Ų50.437%0.36927%0.274SS..THydrogen-bonded Turntrans-70.9-22.6172.6-64.2-179.3-176.600112.1L587 I609 L642 K646L587-E589 PolarHBondContact O-N 3.09Å; E589-I609 HydrophobicContact CB-CD1 4.39Å; E589-I609 WeakPolarHBondContact OE2-CD1 3.42Å; E589-L642 HydrophobicContact CB-CD1 4.03Å; E589-K646 IonicContact OE2-NZ 3.67Å
590I83.2Confident80.1Confident3 Ų352 Ų522%0.01528%0.281CS..SBendtrans-72.9130.5-176.7-56.5173.2000110.1L587 M588 G592 V593 I609 V612 M635 A639 L642L587-I590 HydrophobicContact CD2-CD1 4.24Å; L587-I590 WeakPolarHBondContact O-CB 3.47Å; L587-I590 PolarHBondContact O-N 3.16Å; M588-I590 VanDerWaalsContact C-N 3.26Å; I590-G592 PolarHBondContact O-N 3.38Å; I590-V593 HydrophobicContact CB-CB 4.19Å; I590-V593 HydrophobicContact CB-CG2 3.7Å; I590-V593 HydrophobicContact CG2-CG2 3.71Å; I590-V593 WeakPolarHBondContact O-CB 3.46Å; I590-V593 PolarHBondContact O-N 3.32Å; I590-I609 HydrophobicContact CG1-CG1 4.42Å; I590-V612 HydrophobicContact CD1-CB 3.85Å; I590-V612 HydrophobicContact CD1-CG1 3.96Å; I590-V612 HydrophobicContact CD1-CG2 3.73Å; I590-M635 HydrophobicContact CG2-CB 4.23Å; I590-M635 HydrophobicContact CG2-CG 4.5Å; I590-M635 WeakPolarHBondContact CG2-O 3.26Å; I590-A639 HydrophobicContact CD1-CB 4.2Å; I590-A639 HydrophobicContact CG1-CB 4.4Å; I590-L642 HydrophobicContact CG1-CD1 4.3Å
591H73.5Confident81.5Confident65 Ų6551.5 Ų51.530%0.30128%0.278SS..THydrogen-bonded Turntrans-59.1129.4-177.2-172.8-85.9000112.2V593 Q634 S638H591-V593 VanDerWaalsContact C-N 3.25Å; H591-V593 PolarHBondContact O-N 2.96Å; H591-Q634 PolarHBondContact CE1-NE2 2.81Å; H591-Q634 PolarHBondContact ND1-NE2 3.42Å; H591-S638 VanDerWaalsContact CB-OG 3.24Å; H591-S638 WeakPolarHBondContact CB-OG 3.31Å; H591-S638 PolarHBondContact N-OG 3.1Å
592G74.4Confident82.8Confident50 Ų5052.7 Ų52.752%0.51528%0.276SS..THydrogen-bonded Turntrans80.4-3.3-178.100000114.7I590I590-G592 PolarHBondContact O-N 3.38Å
593V83.7Confident84Confident4 Ų458 Ų582%0.02428%0.284CS..  trans-85.4118174.6-179.70000109.7L587 I590 H591 R597 A598 L601 M635L587-V593 WeakPolarHBondContact O-CB 3.25Å; L587-V593 WeakPolarHBondContact O-CG1 3.42Å; I590-V593 HydrophobicContact CB-CB 4.19Å; I590-V593 HydrophobicContact CB-CG2 3.7Å; I590-V593 HydrophobicContact CG2-CG2 3.71Å; I590-V593 WeakPolarHBondContact O-CB 3.46Å; I590-V593 PolarHBondContact O-N 3.32Å; H591-V593 VanDerWaalsContact C-N 3.25Å; H591-V593 PolarHBondContact O-N 2.96Å; V593-R597 HydrophobicContact CG1-CB 4.14Å; V593-R597 HydrophobicContact CG1-CG 4.16Å; V593-R597 HydrophobicContact CG2-CG 4.27Å; V593-A598 HydrophobicContact CG1-CB 3.81Å; V593-L601 HydrophobicContact CG1-CD1 4.06Å; V593-L601 HydrophobicContact CG2-CD1 3.99Å; V593-M635 HydrophobicContact CG2-CG 4.06Å; V593-M635 HydrophobicContact CG2-SD 3.84Å
594Q82.6Confident84.8Confident131 Ų13155 Ų5561%0.61228%0.277SS*.  trans-110173.8173.8-64.9-65.2-25.800109.8A596 R597 A598Q594-A596 VanDerWaalsContact C-N 3.3Å; Q594-A596 PolarHBondContact O-N 3.2Å; Q594-A596 VanDerWaalsContact O-N 3.1Å; Q594-R597 CarbonylContact O-C 3.52Å; Q594-R597 WeakPolarHBondContact O-CA 3.31Å; Q594-R597 PolarHBondContact O-N 3.18Å; Q594-A598 PolarHBondContact O-N 3.22Å
595R80.6Confident85.2Confident104 Ų10456.7 Ų56.739%0.39230%0.296SS..Hα-helixtrans-46.5-48-174.9-55.2-170.9-177.5152.710.7114.2F578 V580 M588 A598 R599F578-R595 PolarHBondContact O-NE 2.87Å; F578-R595 PolarHBondContact O-NH2 3.46Å; V580-R595 HydrophobicContact CG1-CB 4.01Å; V580-R595 HydrophobicContact CG1-CG 3.57Å; M588-R595 HydrophobicContact CE-CG 4.17Å; R595-A598 PolarHBondContact O-N 3.41Å; R595-R599 WeakPolarHBondContact O-CG 3.46Å; R595-R599 PolarHBondContact O-N 2.99Å; R595-R599 VanDerWaalsContact O-N 3.11Å
596A82.3Confident86Confident70 Ų7057.2 Ų57.258%0.57930%0.296SS*.Hα-helixtrans-64.5-41.6-179.900000112.1Q594 R599 Q600Q594-A596 VanDerWaalsContact C-N 3.3Å; Q594-A596 PolarHBondContact O-N 3.2Å; Q594-A596 VanDerWaalsContact O-N 3.1Å; A596-R599 PolarHBondContact O-N 3.36Å; A596-Q600 WeakPolarHBondContact O-CG 3.47Å; A596-Q600 PolarHBondContact O-N 3.19Å; A596-Q600 VanDerWaalsContact O-N 3.13Å
597R90.3Very high86.3Confident47 Ų4760.3 Ų60.318%0.17731%0.305CS..Hα-helixtrans-70.8-39.7179.1-173.956.152.884.40.5111.8V593 Q594 R599 Q600 L601 V627 M635V593-R597 HydrophobicContact CG1-CB 4.14Å; V593-R597 HydrophobicContact CG1-CG 4.16Å; V593-R597 HydrophobicContact CG2-CG 4.27Å; Q594-R597 CarbonylContact O-C 3.52Å; Q594-R597 WeakPolarHBondContact O-CA 3.31Å; Q594-R597 PolarHBondContact O-N 3.18Å; R597-R599 VanDerWaalsContact C-N 3.32Å; R597-R599 PolarHBondContact O-N 3.44Å; R597-Q600 PolarHBondContact O-N 3.31Å; R597-L601 HydrophobicContact CG-CD1 4.32Å; R597-L601 WeakPolarHBondContact O-CG 3.47Å; R597-L601 PolarHBondContact O-N 2.83Å; R597-V627 VanDerWaalsContact NH1-CG2 3.34Å; R597-M635 HydrophobicContact CG-SD 4.04Å
598A87.8Confident86.4Confident0 Ų062.1 Ų62.10%032%0.318CS..Hα-helixtrans-59.5-43174.400000111.4L584 L587 M588 V593 Q594 R595 L601 Y602L584-A598 HydrophobicContact CB-CB 4.43Å; L587-A598 HydrophobicContact CB-CB 4.19Å; M588-A598 HydrophobicContact CG-CB 4.28Å; M588-A598 HydrophobicContact SD-CB 3.7Å; V593-A598 HydrophobicContact CG1-CB 3.81Å; Q594-A598 PolarHBondContact O-N 3.22Å; R595-A598 PolarHBondContact O-N 3.41Å; A598-L601 PolarHBondContact O-N 3.26Å; A598-Y602 WeakPolarHBondContact O-CB 3.5Å; A598-Y602 PolarHBondContact O-N 3.46Å
599R87.2Confident86.4Confident155 Ų15561.6 Ų61.659%0.58532%0.315SS*.Hα-helixtrans-61.9-42.7174.4-72174.8-174.9176.80.9112.7L584 R595 A596 R597 K603L584-R599 HydrophobicContact CD1-CG 3.6Å; R595-R599 WeakPolarHBondContact O-CG 3.46Å; R595-R599 PolarHBondContact O-N 2.99Å; R595-R599 VanDerWaalsContact O-N 3.11Å; A596-R599 PolarHBondContact O-N 3.36Å; R597-R599 VanDerWaalsContact C-N 3.32Å; R597-R599 PolarHBondContact O-N 3.44Å; R599-K603 VanDerWaalsContact O-CB 3.29Å; R599-K603 WeakPolarHBondContact O-CB 3.11Å; R599-K603 PolarHBondContact O-N 3.11Å
600Q92.3Very high86.6Confident52 Ų5261 Ų6124%0.24332%0.317CS..Hα-helixtrans-62.5-46.2177.1-71.3174-25.900111.3A596 R597 K603 A604 L624A596-Q600 WeakPolarHBondContact O-CG 3.47Å; A596-Q600 PolarHBondContact O-N 3.19Å; A596-Q600 VanDerWaalsContact O-N 3.13Å; R597-Q600 PolarHBondContact O-N 3.31Å; Q600-K603 PolarHBondContact O-N 2.95Å; Q600-A604 VanDerWaalsContact O-CB 3.3Å; Q600-A604 WeakPolarHBondContact O-CB 3.3Å; Q600-A604 PolarHBondContact O-N 3.3Å; Q600-L624 HydrophobicContact CB-CD2 3.62Å
601L93.3Very high87Confident0 Ų063.6 Ų63.60%033%0.331CS..Hα-helixtrans-58.1-50.9176.1-78.6166000111.6L587 V593 R597 A598 K603 A604 G605 Y606 V612 L620 L624L587-L601 HydrophobicContact CD1-CB 4.07Å; V593-L601 HydrophobicContact CG1-CD1 4.06Å; V593-L601 HydrophobicContact CG2-CD1 3.99Å; R597-L601 HydrophobicContact CG-CD1 4.32Å; R597-L601 WeakPolarHBondContact O-CG 3.47Å; R597-L601 PolarHBondContact O-N 2.83Å; A598-L601 PolarHBondContact O-N 3.26Å; L601-K603 PolarHBondContact O-N 3.19Å; L601-A604 CarbonylContact O-C 3.59Å; L601-A604 WeakPolarHBondContact O-CB 3.45Å; L601-A604 PolarHBondContact O-N 3Å; L601-A604 VanDerWaalsContact O-N 3.12Å; L601-G605 PolarHBondContact O-N 3.22Å; L601-Y606 CarbonylContact C-O 3.59Å; L601-Y606 HydrophobicContact CD2-CD2 4Å; L601-Y606 HydrophobicContact CD2-CG 4.2Å; L601-Y606 PolarHBondContact O-N 3.13Å; L601-V612 HydrophobicContact CD2-CG2 4.14Å; L601-L620 HydrophobicContact CD2-CD2 3.61Å; L601-L624 HydrophobicContact CD2-CD1 3.76Å; L601-L624 HydrophobicContact CD2-CD2 4.08Å; L601-L624 HydrophobicContact CD2-CG 4.46Å; L601-L624 HydrophobicContact CG-CD1 4.24Å; L601-L624 HydrophobicContact CG-CD2 4.12Å
602Y91.5Very high87.7Confident60 Ų6060.5 Ų60.524%0.23532%0.317CS..Hα-helixtrans-60.9-44.8-179.6-166-80.4000111.8E583 L584 L587 A598 A604 G605 Y606 K607E583-Y602 HydrophobicContact CB-CE2 3.81Å; E583-Y602 HydrophobicContact CG-CD2 4.48Å; E583-Y602 HydrophobicContact CG-CE2 3.97Å; E583-Y602 PolarHBondContact OE2-OH 2.79Å; L584-Y602 HydrophobicContact CD2-CD2 3.77Å; L584-Y602 HydrophobicContact CD2-CG 3.74Å; L587-Y602 HydrophobicContact CD1-CD2 4.19Å; A598-Y602 WeakPolarHBondContact O-CB 3.5Å; A598-Y602 PolarHBondContact O-N 3.46Å; Y602-A604 VanDerWaalsContact C-N 3.27Å; Y602-A604 PolarHBondContact O-N 2.99Å; Y602-G605 PolarHBondContact O-N 2.73Å; Y602-Y606 WeakPolarHBondContact CA-O 3.43Å; Y602-Y606 PolarHBondContact N-O 3.42Å; Y602-K607 HydrophobicContact CD2-CB 4.2Å; Y602-K607 HydrophobicContact CD2-CG 3.96Å; Y602-K607 HydrophobicContact CE1-CD 4.44Å; Y602-K607 HydrophobicContact CE1-CG 4.43Å; Y602-K607 HydrophobicContact CE2-CB 4Å; Y602-K607 HydrophobicContact CE2-CD 4.15Å; Y602-K607 HydrophobicContact CE2-CG 3.77Å; Y602-K607 HydrophobicContact CG-CG 4.38Å
603K91.4Very high88.2Confident192 Ų19258.2 Ų58.284%0.83529%0.292SS*.Hα-helixtrans-63.9-32.7176.8-172.5178.1179.8-178.20112.3R599 Q600 L601 G605R599-K603 VanDerWaalsContact O-CB 3.29Å; R599-K603 WeakPolarHBondContact O-CB 3.11Å; R599-K603 PolarHBondContact O-N 3.11Å; Q600-K603 PolarHBondContact O-N 2.95Å; L601-K603 PolarHBondContact O-N 3.19Å; K603-G605 PolarHBondContact O-N 2.82Å
604A92.8Very high88.3Confident41 Ų4163.3 Ų63.334%0.33932%0.32SS..THydrogen-bonded Turntrans-77-1.4174.400000113.8Q600 L601 Y602 Y606 A623Q600-A604 VanDerWaalsContact O-CB 3.3Å; Q600-A604 WeakPolarHBondContact O-CB 3.3Å; Q600-A604 PolarHBondContact O-N 3.3Å; L601-A604 CarbonylContact O-C 3.59Å; L601-A604 WeakPolarHBondContact O-CB 3.45Å; L601-A604 PolarHBondContact O-N 3Å; L601-A604 VanDerWaalsContact O-N 3.12Å; Y602-A604 VanDerWaalsContact C-N 3.27Å; Y602-A604 PolarHBondContact O-N 2.99Å; A604-Y606 HydrophobicContact CB-CD2 3.87Å; A604-Y606 HydrophobicContact CB-CE2 4.04Å; A604-A623 HydrophobicContact CB-CB 3.97Å
605G91.8Very high88.5Confident44 Ų4457.7 Ų57.745%0.45430%0.296SS..THydrogen-bonded Turntrans96.9-4.4177.700000114.9L601 Y602 K603 K607L601-G605 PolarHBondContact O-N 3.22Å; Y602-G605 PolarHBondContact O-N 2.73Å; K603-G605 PolarHBondContact O-N 2.82Å; G605-K607 PolarHBondContact O-N 2.67Å; G605-K607 VanDerWaalsContact O-N 3.17Å
606Y93.5Very high88.8Confident37 Ų3756.5 Ų56.515%0.14530%0.297CS..  trans-82.890.4173.9-55.2-79.6000109.4L587 L601 Y602 A604 D611 V612 A615 L620 A623L587-Y606 WeakPolarHBondContact CD1-O 3.38Å; L601-Y606 CarbonylContact C-O 3.59Å; L601-Y606 HydrophobicContact CD2-CD2 4Å; L601-Y606 HydrophobicContact CD2-CG 4.2Å; L601-Y606 PolarHBondContact O-N 3.13Å; Y602-Y606 WeakPolarHBondContact CA-O 3.43Å; Y602-Y606 PolarHBondContact N-O 3.42Å; A604-Y606 HydrophobicContact CB-CD2 3.87Å; A604-Y606 HydrophobicContact CB-CE2 4.04Å; Y606-D611 HydrophobicContact CD1-CB 3.9Å; Y606-V612 HydrophobicContact CG-CG2 4.48Å; Y606-A615 HydrophobicContact CD1-CB 4.31Å; Y606-A615 HydrophobicContact CE1-CB 3.57Å; Y606-L620 HydrophobicContact CD2-CD2 3.96Å; Y606-L620 HydrophobicContact CE1-CD2 4.25Å; Y606-L620 HydrophobicContact CE2-CD2 3.64Å; Y606-L620 HydrophobicContact CG-CD2 4.37Å; Y606-A623 HydrophobicContact CE2-CB 4.2Å
607K89.7Confident89Confident114 Ų11453.4 Ų53.450%0.49627%0.272SS..  trans-98.1-19.7-173-62.4-176.9-179.3-178.20112.8Y602 G605 D611Y602-K607 HydrophobicContact CD2-CB 4.2Å; Y602-K607 HydrophobicContact CD2-CG 3.96Å; Y602-K607 HydrophobicContact CE1-CD 4.44Å; Y602-K607 HydrophobicContact CE1-CG 4.43Å; Y602-K607 HydrophobicContact CE2-CB 4Å; Y602-K607 HydrophobicContact CE2-CD 4.15Å; Y602-K607 HydrophobicContact CE2-CG 3.77Å; Y602-K607 HydrophobicContact CG-CG 4.38Å; G605-K607 PolarHBondContact O-N 2.67Å; G605-K607 VanDerWaalsContact O-N 3.17Å; K607-D611 PolarHBondContact N-OD2 2.83Å
608S88.1Confident88.8Confident38 Ų3854.5 Ų54.527%0.26628%0.283SS..SBendtrans-124.3162.7-178.379.80000112V610 D611 V612S608-V610 PolarHBondContact O-N 3.27Å; S608-V610 WeakPolarHBondContact OG-CB 3.16Å; S608-V610 PolarHBondContact OG-N 3.35Å; S608-D611 PolarHBondContact N-OD2 3.44Å; S608-D611 PolarHBondContact O-N 3.32Å; S608-D611 PolarHBondContact OG-N 2.9Å; S608-D611 VanDerWaalsContact OG-N 3.08Å; S608-D611 PolarHBondContact OG-OD1 3.22Å; S608-D611 PolarHBondContact OG-OD2 2.74Å; S608-D611 VanDerWaalsContact OG-OD2 3.1Å; S608-V612 PolarHBondContact O-N 2.99Å
609I84.6Confident88.8Confident7 Ų756.5 Ų56.54%0.03630%0.297CS..Hα-helixtrans-60.9-32.9171.6-60170.7000110.3P586 E589 I590 V612 A613 A639 L642 L643P586-I609 HydrophobicContact CB-CG1 4.47Å; P586-I609 WeakPolarHBondContact O-CD1 3.38Å; P586-I609 VanDerWaalsContact O-CG1 3.23Å; P586-I609 WeakPolarHBondContact O-CG1 3.27Å; E589-I609 HydrophobicContact CB-CD1 4.39Å; E589-I609 WeakPolarHBondContact OE2-CD1 3.42Å; I590-I609 HydrophobicContact CG1-CG1 4.42Å; I609-V612 PolarHBondContact O-N 2.9Å; I609-A613 VanDerWaalsContact O-CB 3.32Å; I609-A613 WeakPolarHBondContact O-CB 3.36Å; I609-A613 PolarHBondContact O-N 3.47Å; I609-A639 HydrophobicContact CG2-CB 3.85Å; I609-A639 WeakPolarHBondContact CG2-O 3.4Å; I609-L642 HydrophobicContact CD1-CD1 4.22Å; I609-L642 HydrophobicContact CG2-CB 4.11Å; I609-L642 HydrophobicContact CG2-CD1 4.38Å; I609-L643 HydrophobicContact CG2-CD2 4.2Å; I609-L643 HydrophobicContact CG2-CG 4.04Å
610V85Confident88.9Confident66 Ų6649.1 Ų49.140%0.427%0.269SS..Hα-helixtrans-62.2-44.2176.6-178.40000111.1S608 V612 A613 N614 L643S608-V610 PolarHBondContact O-N 3.27Å; S608-V610 WeakPolarHBondContact OG-CB 3.16Å; S608-V610 PolarHBondContact OG-N 3.35Å; V610-V612 VanDerWaalsContact C-N 3.32Å; V610-V612 PolarHBondContact O-N 3.48Å; V610-A613 PolarHBondContact O-N 3.11Å; V610-N614 WeakPolarHBondContact CG1-ND2 3.26Å; V610-N614 WeakPolarHBondContact O-CB 3.24Å; V610-N614 PolarHBondContact O-N 3.45Å; V610-L643 HydrophobicContact CG2-CD1 4.21Å; V610-L643 HydrophobicContact CG2-CD2 3.64Å
611D90.5Very high88.8Confident59 Ų5948.9 Ų48.932%0.31627%0.271SS..Hα-helixtrans-61.1-43.7180-51-25.6000110.7Y606 K607 S608 A615Y606-D611 HydrophobicContact CD1-CB 3.9Å; K607-D611 PolarHBondContact N-OD2 2.83Å; S608-D611 PolarHBondContact N-OD2 3.44Å; S608-D611 PolarHBondContact O-N 3.32Å; S608-D611 PolarHBondContact OG-N 2.9Å; S608-D611 VanDerWaalsContact OG-N 3.08Å; S608-D611 PolarHBondContact OG-OD1 3.22Å; S608-D611 PolarHBondContact OG-OD2 2.74Å; S608-D611 VanDerWaalsContact OG-OD2 3.1Å; D611-A615 PolarHBondContact O-N 3.31Å; D611-A615 VanDerWaalsContact O-N 3.12Å
612V89.1Confident88.7Confident0 Ų056.4 Ų56.40%031%0.306CS..Hα-helixtrans-70.2-36.3178.6-176.60000111.7L587 I590 L601 Y606 S608 I609 V610 N614 A615 L620 M635 A639L587-V612 HydrophobicContact CD2-CG2 4.06Å; I590-V612 HydrophobicContact CD1-CB 3.85Å; I590-V612 HydrophobicContact CD1-CG1 3.96Å; I590-V612 HydrophobicContact CD1-CG2 3.73Å; L601-V612 HydrophobicContact CD2-CG2 4.14Å; Y606-V612 HydrophobicContact CG-CG2 4.48Å; S608-V612 PolarHBondContact O-N 2.99Å; I609-V612 PolarHBondContact O-N 2.9Å; V610-V612 VanDerWaalsContact C-N 3.32Å; V610-V612 PolarHBondContact O-N 3.48Å; V612-N614 VanDerWaalsContact C-N 3.35Å; V612-A615 PolarHBondContact O-N 3.02Å; V612-L620 HydrophobicContact CG1-CD1 4.42Å; V612-M635 HydrophobicContact CG1-CB 4.46Å; V612-A639 HydrophobicContact CB-CB 3.99Å; V612-A639 HydrophobicContact CG1-CB 3.95Å
613A84.3Confident88.6Confident1 Ų155.9 Ų55.91%0.00831%0.314CS..Hα-helixtrans-68-34.5177.800000112.8I609 V610 A639 K640 L643I609-A613 VanDerWaalsContact O-CB 3.32Å; I609-A613 WeakPolarHBondContact O-CB 3.36Å; I609-A613 PolarHBondContact O-N 3.47Å; V610-A613 PolarHBondContact O-N 3.11Å; A613-A639 HydrophobicContact CB-CB 3.92Å; A613-K640 HydrophobicContact CB-CG 3.8Å; A613-K640 WeakPolarHBondContact O-CE 3.33Å; A613-L643 HydrophobicContact CB-CD1 3.36Å; A613-L643 HydrophobicContact CB-CG 4.47Å
614N85.6Confident88.5Confident111 Ų11147 Ų4759%0.59428%0.276SS*.Hα-helixtrans-85.1-12.1178.8-71.5-19.8000113.3V610 V612V610-N614 WeakPolarHBondContact CG1-ND2 3.26Å; V610-N614 WeakPolarHBondContact O-CB 3.24Å; V610-N614 PolarHBondContact O-N 3.45Å; V612-N614 VanDerWaalsContact C-N 3.35Å
615A86.9Confident88.2Confident13 Ų1351.6 Ų51.611%0.10729%0.291CS..SBendtrans-67.2145.6176.600000111.9Y606 D611 V612 L620 I636Y606-A615 HydrophobicContact CD1-CB 4.31Å; Y606-A615 HydrophobicContact CE1-CB 3.57Å; D611-A615 PolarHBondContact O-N 3.31Å; D611-A615 VanDerWaalsContact O-N 3.12Å; V612-A615 PolarHBondContact O-N 3.02Å; A615-L620 HydrophobicContact CB-CD1 3.86Å; A615-L620 HydrophobicContact CB-CD2 4.42Å; A615-L620 HydrophobicContact CB-CG 3.82Å; A615-I636 VanDerWaalsContact O-CD1 3.28Å; A615-I636 WeakPolarHBondContact O-CD1 3.43Å
616D86.9Confident88Confident80 Ų8058.1 Ų58.143%0.42831%0.309SS..  trans-85.5153.5163.774.288.4000111V618 S619 L620D616-V618 PolarHBondContact O-N 3.27Å; D616-V618 WeakPolarHBondContact OD1-CA 3.49Å; D616-V618 VanDerWaalsContact OD1-CB 3.32Å; D616-V618 WeakPolarHBondContact OD1-CB 3.4Å; D616-V618 PolarHBondContact OD1-N 3.15Å; D616-S619 VanDerWaalsContact CG-OG 3.26Å; D616-S619 PolarHBondContact O-N 2.86Å; D616-S619 PolarHBondContact OD1-N 2.81Å; D616-S619 PolarHBondContact OD1-OG 3.4Å; D616-S619 WeakPolarHBondContact OD2-CB 3.4Å; D616-S619 PolarHBondContact OD2-OG 3.31Å; D616-L620 PolarHBondContact O-N 3.16Å
617A85.8Confident87.6Confident5 Ų557 Ų574%0.04131%0.306CS..Hα-helixtrans-66.8-23.6-174.500000113.2V621 A632 Y633 I636A617-V621 VanDerWaalsContact O-CG2 3.23Å; A617-V621 WeakPolarHBondContact O-CG2 3.44Å; A617-V621 PolarHBondContact O-N 3.15Å; A617-A632 HydrophobicContact CB-CB 4.35Å; A617-Y633 HydrophobicContact CB-CD1 3.81Å; A617-Y633 HydrophobicContact CB-CD2 4Å; A617-Y633 HydrophobicContact CB-CE1 3.6Å; A617-Y633 HydrophobicContact CB-CE2 3.82Å; A617-Y633 HydrophobicContact CB-CG 3.99Å; A617-I636 HydrophobicContact CB-CD1 3.89Å
618V86.3Confident87.3Confident70 Ų7061.4 Ų61.442%0.42432%0.32SS..Hα-helixtrans-76.5-48.1-179.3-179.10000109.5D616 L620 V621 Q622D616-V618 PolarHBondContact O-N 3.27Å; D616-V618 WeakPolarHBondContact OD1-CA 3.49Å; D616-V618 VanDerWaalsContact OD1-CB 3.32Å; D616-V618 WeakPolarHBondContact OD1-CB 3.4Å; D616-V618 PolarHBondContact OD1-N 3.15Å; V618-L620 VanDerWaalsContact C-N 3.33Å; V618-L620 PolarHBondContact O-N 3.37Å; V618-V621 PolarHBondContact O-N 3Å; V618-V621 VanDerWaalsContact O-N 3.13Å; V618-Q622 WeakPolarHBondContact O-CG 3.41Å; V618-Q622 PolarHBondContact O-N 2.79Å
619S87.6Confident87Confident41 Ų4165 Ų6529%0.28733%0.331SS..Hα-helixtrans-58.1-42.5176.3-630000112.3D616 V621 Q622 A623D616-S619 VanDerWaalsContact CG-OG 3.26Å; D616-S619 PolarHBondContact O-N 2.86Å; D616-S619 PolarHBondContact OD1-N 2.81Å; D616-S619 PolarHBondContact OD1-OG 3.4Å; D616-S619 WeakPolarHBondContact OD2-CB 3.4Å; D616-S619 PolarHBondContact OD2-OG 3.31Å; S619-V621 PolarHBondContact O-N 3.25Å; S619-Q622 PolarHBondContact O-N 3.42Å; S619-A623 VanDerWaalsContact O-CB 3.32Å; S619-A623 WeakPolarHBondContact O-CB 3.34Å; S619-A623 PolarHBondContact O-N 2.97Å
620L89.5Confident86.5Confident0 Ų067.2 Ų67.20%036%0.355CS..Hα-helixtrans-63.4-39.2175.5-84.8173.9000113.1L601 Y606 V612 A615 D616 V618 Q622 A623 L624 A632 I636L601-L620 HydrophobicContact CD2-CD2 3.61Å; Y606-L620 HydrophobicContact CD2-CD2 3.96Å; Y606-L620 HydrophobicContact CE1-CD2 4.25Å; Y606-L620 HydrophobicContact CE2-CD2 3.64Å; Y606-L620 HydrophobicContact CG-CD2 4.37Å; V612-L620 HydrophobicContact CG1-CD1 4.42Å; A615-L620 HydrophobicContact CB-CD1 3.86Å; A615-L620 HydrophobicContact CB-CD2 4.42Å; A615-L620 HydrophobicContact CB-CG 3.82Å; D616-L620 PolarHBondContact O-N 3.16Å; V618-L620 VanDerWaalsContact C-N 3.33Å; V618-L620 PolarHBondContact O-N 3.37Å; L620-Q622 VanDerWaalsContact C-N 3.32Å; L620-A623 PolarHBondContact O-N 3.47Å; L620-L624 HydrophobicContact CB-CD1 4.47Å; L620-L624 HydrophobicContact CD2-CD1 3.87Å; L620-L624 VanDerWaalsContact O-CB 3.26Å; L620-L624 WeakPolarHBondContact O-CB 3.16Å; L620-L624 WeakPolarHBondContact O-CG 3.35Å; L620-L624 PolarHBondContact O-N 3.02Å; L620-L624 VanDerWaalsContact O-N 3.1Å; L620-A632 HydrophobicContact CB-CB 4.16Å; L620-I636 HydrophobicContact CD1-CD1 3.73Å; L620-I636 HydrophobicContact CD1-CG1 3.41Å; L620-I636 VanDerWaalsContact CD1-CG1 3.41Å
621V91.1Very high86.3Confident48 Ų4866.7 Ų66.729%0.29135%0.352SS..Hα-helixtrans-67.7-35.7177.7169.60000111.1A617 V618 S619 V627 K629 A632A617-V621 VanDerWaalsContact O-CG2 3.23Å; A617-V621 WeakPolarHBondContact O-CG2 3.44Å; A617-V621 PolarHBondContact O-N 3.15Å; V618-V621 PolarHBondContact O-N 3Å; V618-V621 VanDerWaalsContact O-N 3.13Å; S619-V621 PolarHBondContact O-N 3.25Å; V621-V627 HydrophobicContact CG2-CG1 4.45Å; V621-K629 HydrophobicContact CG2-CB 4.47Å; V621-A632 HydrophobicContact CG2-CB 3.74Å
622Q90.2Very high86.1Confident157 Ų15763.9 Ų63.973%0.73434%0.336SS*.Hα-helixtrans-71.4-38.6176.7-70.4174.7-11.300112.2V618 S619 L620V618-Q622 WeakPolarHBondContact O-CG 3.41Å; V618-Q622 PolarHBondContact O-N 2.79Å; S619-Q622 PolarHBondContact O-N 3.42Å; L620-Q622 VanDerWaalsContact C-N 3.32Å
623A89.2Confident85.6Confident49 Ų4970 Ų7041%0.40536%0.361SS..Hα-helixtrans-77-23.3-178.100000113.9A604 Y606 S619 L620A604-A623 HydrophobicContact CB-CB 3.97Å; Y606-A623 HydrophobicContact CE2-CB 4.2Å; S619-A623 VanDerWaalsContact O-CB 3.32Å; S619-A623 WeakPolarHBondContact O-CB 3.34Å; S619-A623 PolarHBondContact O-N 2.97Å; L620-A623 PolarHBondContact O-N 3.47Å
624L89.5Confident85.3Confident6 Ų673.1 Ų73.13%0.03138%0.375CS..SBendtrans-115.8128.7-170.8-56.7174.1000112.5Q600 L601 L620 V627 M635Q600-L624 HydrophobicContact CB-CD2 3.62Å; L601-L624 HydrophobicContact CD2-CD1 3.76Å; L601-L624 HydrophobicContact CD2-CD2 4.08Å; L601-L624 HydrophobicContact CD2-CG 4.46Å; L601-L624 HydrophobicContact CG-CD1 4.24Å; L601-L624 HydrophobicContact CG-CD2 4.12Å; L620-L624 HydrophobicContact CB-CD1 4.47Å; L620-L624 HydrophobicContact CD2-CD1 3.87Å; L620-L624 VanDerWaalsContact O-CB 3.26Å; L620-L624 WeakPolarHBondContact O-CB 3.16Å; L620-L624 WeakPolarHBondContact O-CG 3.35Å; L620-L624 PolarHBondContact O-N 3.02Å; L620-L624 VanDerWaalsContact O-N 3.1Å; L624-V627 HydrophobicContact CB-CB 4.22Å; L624-V627 HydrophobicContact CB-CG2 3.35Å; L624-V627 HydrophobicContact CD1-CG2 4.08Å; L624-V627 HydrophobicContact CG-CG2 4.39Å; L624-M635 HydrophobicContact CD1-CE 4Å
625Q86.6Confident85.2Confident137 Ų13768 Ų6864%0.6435%0.347SS*.THydrogen-bonded Turntrans-68.6137.8176.7-64.1176.2-11.900112V627Q625-V627 PolarHBondContact O-N 3.37Å
626H87.4Confident85Confident181 Ų18168 Ų6884%0.83835%0.345SS*.THydrogen-bonded Turntrans57.140.9175.7-51.4-66.5000114.5
627V85.2Confident84.3Confident15 Ų1569 Ų699%0.09134%0.343CS..  trans-108.8126.4175.6-172.60000110.5R597 V621 L624 Q625 A632 M635R597-V627 VanDerWaalsContact NH1-CG2 3.34Å; V621-V627 HydrophobicContact CG2-CG1 4.45Å; L624-V627 HydrophobicContact CB-CB 4.22Å; L624-V627 HydrophobicContact CB-CG2 3.35Å; L624-V627 HydrophobicContact CD1-CG2 4.08Å; L624-V627 HydrophobicContact CG-CG2 4.39Å; Q625-V627 PolarHBondContact O-N 3.37Å; V627-A632 HydrophobicContact CG1-CB 4.16Å; V627-M635 HydrophobicContact CG1-CE 3.85Å
628R85.1Confident83.7Confident205 Ų20569.4 Ų69.477%0.77435%0.346SS*.  trans-84.8150170.5-64.3-177.3-178.6178.30.4109.9G630 T631 A632R628-G630 VanDerWaalsContact C-N 3.26Å; R628-G630 PolarHBondContact O-N 3.1Å; R628-T631 WeakPolarHBondContact O-CB 3.34Å; R628-T631 PolarHBondContact O-N 3.45Å; R628-A632 PolarHBondContact O-N 3.28Å; R628-A632 VanDerWaalsContact O-N 3.12Å
629K81Confident83.5Confident115 Ų11566 Ų6650%0.533%0.326SS..Hα-helixtrans-51.9-41.8179.9-161.3179.1-175.1178.60113.1V621 T631 A632 Y633V621-K629 HydrophobicContact CG2-CB 4.47Å; K629-T631 PolarHBondContact O-N 3.35Å; K629-A632 PolarHBondContact O-N 3.17Å; K629-Y633 HydrophobicContact CD-CE2 4.11Å; K629-Y633 HydrophobicContact CG-CD2 4.08Å; K629-Y633 HydrophobicContact CG-CE2 3.73Å; K629-Y633 VanDerWaalsContact O-CD2 3.24Å; K629-Y633 WeakPolarHBondContact O-CD2 3.5Å; K629-Y633 PolarHBondContact O-N 2.95Å
630G74.6Confident82.9Confident52 Ų5267.5 Ų67.554%0.53633%0.327SS..Hα-helixtrans-61.3-39.7176.700000113.8R628 Y633 Q634R628-G630 VanDerWaalsContact C-N 3.26Å; R628-G630 PolarHBondContact O-N 3.1Å; G630-Y633 PolarHBondContact O-N 2.85Å; G630-Q634 PolarHBondContact O-N 2.88Å
631T80.9Confident82Confident55 Ų5570.7 Ų70.734%0.33734%0.343SS..Hα-helixtrans-68-38.5175.9-49.50000111.5R628 K629 Q634 M635R628-T631 WeakPolarHBondContact O-CB 3.34Å; R628-T631 PolarHBondContact O-N 3.45Å; K629-T631 PolarHBondContact O-N 3.35Å; T631-Q634 PolarHBondContact O-N 2.86Å; T631-M635 HydrophobicContact CG2-CE 4.43Å; T631-M635 WeakPolarHBondContact O-CG 3.43Å; T631-M635 PolarHBondContact O-N 2.89Å
632A85Confident81Confident0 Ų069.7 Ų69.70%034%0.335CS..Hα-helixtrans-61.7-46.5175.200000111.7A617 L620 V621 V627 R628 K629 Q634 M635 I636A617-A632 HydrophobicContact CB-CB 4.35Å; L620-A632 HydrophobicContact CB-CB 4.16Å; V621-A632 HydrophobicContact CG2-CB 3.74Å; V627-A632 HydrophobicContact CG1-CB 4.16Å; R628-A632 PolarHBondContact O-N 3.28Å; R628-A632 VanDerWaalsContact O-N 3.12Å; K629-A632 PolarHBondContact O-N 3.17Å; A632-Q634 VanDerWaalsContact C-N 3.29Å; A632-Q634 PolarHBondContact O-N 3.4Å; A632-M635 HydrophobicContact CB-CE 4.42Å; A632-M635 PolarHBondContact O-N 3.43Å; A632-I636 WeakPolarHBondContact O-CG1 3.36Å; A632-I636 PolarHBondContact O-N 2.95Å
633Y80.2Confident80.3Confident130 Ų13063.4 Ų63.451%0.5131%0.307SS..Hα-helixtrans-57.2-42.4172.6-81.9-65.5000112.3A617 K629 G630 M635 I636 R637A617-Y633 HydrophobicContact CB-CD1 3.81Å; A617-Y633 HydrophobicContact CB-CD2 4Å; A617-Y633 HydrophobicContact CB-CE1 3.6Å; A617-Y633 HydrophobicContact CB-CE2 3.82Å; A617-Y633 HydrophobicContact CB-CG 3.99Å; K629-Y633 HydrophobicContact CD-CE2 4.11Å; K629-Y633 HydrophobicContact CG-CD2 4.08Å; K629-Y633 HydrophobicContact CG-CE2 3.73Å; K629-Y633 VanDerWaalsContact O-CD2 3.24Å; K629-Y633 WeakPolarHBondContact O-CD2 3.5Å; K629-Y633 PolarHBondContact O-N 2.95Å; G630-Y633 PolarHBondContact O-N 2.85Å; Y633-M635 PolarHBondContact O-N 3.49Å; Y633-I636 PolarHBondContact O-N 3.12Å; Y633-R637 WeakPolarHBondContact O-CB 3.5Å; Y633-R637 PolarHBondContact O-N 3.47Å
634Q76.5Confident79.2Confident66 Ų6663.7 Ų63.731%0.30830%0.3SS..Hα-helixtrans-64.1-40.1178.6-167.3175.17.800112.3H591 G630 T631 A632 R637 S638H591-Q634 PolarHBondContact CE1-NE2 2.81Å; H591-Q634 PolarHBondContact ND1-NE2 3.42Å; G630-Q634 PolarHBondContact O-N 2.88Å; T631-Q634 PolarHBondContact O-N 2.86Å; A632-Q634 VanDerWaalsContact C-N 3.29Å; A632-Q634 PolarHBondContact O-N 3.4Å; Q634-R637 PolarHBondContact O-N 3.46Å; Q634-S638 WeakPolarHBondContact O-CB 3.42Å; Q634-S638 PolarHBondContact O-N 2.92Å
635M83.5Confident78.2Confident2 Ų265.5 Ų65.51%0.0131%0.308CS..Hα-helixtrans-63.8-50175.6-70.9-176.6-64.400111.5I590 V593 R597 V612 L624 V627 T631 A632 Y633 R637 S638 A639I590-M635 HydrophobicContact CG2-CB 4.23Å; I590-M635 HydrophobicContact CG2-CG 4.5Å; I590-M635 WeakPolarHBondContact CG2-O 3.26Å; V593-M635 HydrophobicContact CG2-CG 4.06Å; V593-M635 HydrophobicContact CG2-SD 3.84Å; R597-M635 HydrophobicContact CG-SD 4.04Å; V612-M635 HydrophobicContact CG1-CB 4.46Å; L624-M635 HydrophobicContact CD1-CE 4Å; V627-M635 HydrophobicContact CG1-CE 3.85Å; T631-M635 HydrophobicContact CG2-CE 4.43Å; T631-M635 WeakPolarHBondContact O-CG 3.43Å; T631-M635 PolarHBondContact O-N 2.89Å; A632-M635 HydrophobicContact CB-CE 4.42Å; A632-M635 PolarHBondContact O-N 3.43Å; Y633-M635 PolarHBondContact O-N 3.49Å; M635-R637 VanDerWaalsContact C-N 3.3Å; M635-R637 PolarHBondContact O-N 3.48Å; M635-S638 PolarHBondContact O-N 3.36Å; M635-A639 WeakPolarHBondContact O-CB 3.5Å; M635-A639 PolarHBondContact O-N 2.79Å
636I82.2Confident77.4Confident13 Ų1363.9 Ų63.97%0.06730%0.299CS..Hα-helixtrans-57.4-46.7177.1-64.9161.8000110.1A615 A617 L620 A632 Y633 S638 A639 K640A615-I636 VanDerWaalsContact O-CD1 3.28Å; A615-I636 WeakPolarHBondContact O-CD1 3.43Å; A617-I636 HydrophobicContact CB-CD1 3.89Å; L620-I636 HydrophobicContact CD1-CD1 3.73Å; L620-I636 HydrophobicContact CD1-CG1 3.41Å; L620-I636 VanDerWaalsContact CD1-CG1 3.41Å; A632-I636 WeakPolarHBondContact O-CG1 3.36Å; A632-I636 PolarHBondContact O-N 2.95Å; Y633-I636 PolarHBondContact O-N 3.12Å; I636-S638 PolarHBondContact O-N 3.31Å; I636-A639 PolarHBondContact O-N 3Å; I636-K640 HydrophobicContact CG2-CD 4.24Å; I636-K640 HydrophobicContact CG2-CG 4.42Å; I636-K640 WeakPolarHBondContact O-CG 3.49Å; I636-K640 PolarHBondContact O-N 3.47Å
637R72.7Confident76.4Confident101 Ų10156.2 Ų56.238%0.38126%0.264SS..Hα-helixtrans-63.8-42.9-177.9-164.1-179.3-150.3-178.74111.7L81 Y633 Q634 M635 K640 M641L81-R637 VanDerWaalsContact CG-NH2 3.31Å; Y633-R637 WeakPolarHBondContact O-CB 3.5Å; Y633-R637 PolarHBondContact O-N 3.47Å; Q634-R637 PolarHBondContact O-N 3.46Å; M635-R637 VanDerWaalsContact C-N 3.3Å; M635-R637 PolarHBondContact O-N 3.48Å; R637-K640 PolarHBondContact O-N 2.83Å; R637-M641 WeakPolarHBondContact O-CB 3.36Å; R637-M641 PolarHBondContact O-N 2.93Å
638S74Confident75.6Confident14 Ų1456.9 Ų56.910%0.09827%0.267CS..Hα-helixtrans-62.7-42.1174.5177.60000111.8H591 Q634 M635 I636 M641 L642H591-S638 VanDerWaalsContact CB-OG 3.24Å; H591-S638 WeakPolarHBondContact CB-OG 3.31Å; H591-S638 PolarHBondContact N-OG 3.1Å; Q634-S638 WeakPolarHBondContact O-CB 3.42Å; Q634-S638 PolarHBondContact O-N 2.92Å; M635-S638 PolarHBondContact O-N 3.36Å; I636-S638 PolarHBondContact O-N 3.31Å; S638-M641 WeakPolarHBondContact O-CB 3.02Å; S638-M641 PolarHBondContact O-N 2.76Å; S638-L642 WeakPolarHBondContact O-CG 3.06Å; S638-L642 PolarHBondContact O-N 3Å
639A80.7Confident74.7Confident0 Ų047.5 Ų47.50%023%0.234CC..Hα-helixtrans-63.5-44.5177.200000111.8I590 I609 V612 A613 M635 I636 M641 L642 L643I590-A639 HydrophobicContact CD1-CB 4.2Å; I590-A639 HydrophobicContact CG1-CB 4.4Å; I609-A639 HydrophobicContact CG2-CB 3.85Å; I609-A639 WeakPolarHBondContact CG2-O 3.4Å; V612-A639 HydrophobicContact CB-CB 3.99Å; V612-A639 HydrophobicContact CG1-CB 3.95Å; A613-A639 HydrophobicContact CB-CB 3.92Å; M635-A639 WeakPolarHBondContact O-CB 3.5Å; M635-A639 PolarHBondContact O-N 2.79Å; I636-A639 PolarHBondContact O-N 3Å; A639-M641 VanDerWaalsContact C-N 3.32Å; A639-M641 PolarHBondContact O-N 2.93Å; A639-L642 PolarHBondContact O-N 3.4Å; A639-L643 WeakPolarHBondContact O-CG 3.23Å; A639-L643 PolarHBondContact O-N 3.29Å
640K76.6Confident74.1Confident72 Ų7246 Ų4631%0.31323%0.231SC..Hα-helixtrans-59.2-41.9173.6-73.8-173.6179-168.80112.3A613 I636 R637 L643 H644 L688A613-K640 HydrophobicContact CB-CG 3.8Å; A613-K640 WeakPolarHBondContact O-CE 3.33Å; I636-K640 HydrophobicContact CG2-CD 4.24Å; I636-K640 HydrophobicContact CG2-CG 4.42Å; I636-K640 WeakPolarHBondContact O-CG 3.49Å; I636-K640 PolarHBondContact O-N 3.47Å; R637-K640 PolarHBondContact O-N 2.83Å; K640-L643 PolarHBondContact O-N 3.37Å; K640-H644 WeakPolarHBondContact O-CB 3.26Å; K640-H644 PolarHBondContact O-N 3.42Å; K640-L688 HydrophobicContact CB-CD2 4.29Å; K640-L688 HydrophobicContact CD-CD1 4.4Å; K640-L688 HydrophobicContact CG-CD1 4.3Å
641M69Low73.8Confident67 Ų6745 Ų4533%0.3321%0.213SC..Hα-helixtrans-60.4-50.6176.2-165.3-178.987.200110.8R637 S638 A639 L643 H644 E645R637-M641 WeakPolarHBondContact O-CB 3.36Å; R637-M641 PolarHBondContact O-N 2.93Å; S638-M641 WeakPolarHBondContact O-CB 3.02Å; S638-M641 PolarHBondContact O-N 2.76Å; A639-M641 VanDerWaalsContact C-N 3.32Å; A639-M641 PolarHBondContact O-N 2.93Å; M641-L643 VanDerWaalsContact C-N 3.29Å; M641-L643 PolarHBondContact O-N 3.25Å; M641-H644 WeakPolarHBondContact O-CB 3.41Å; M641-H644 PolarHBondContact O-N 3.46Å; M641-E645 WeakPolarHBondContact O-CG 3.34Å; M641-E645 PolarHBondContact O-N 3.17Å
642L71.1Confident73Confident27 Ų2745.4 Ų45.414%0.14121%0.211CC..Hα-helixtrans-57.5-38.3177.9-71.1169.6000113.2E589 I590 I609 S638 A639 E645 K646E589-L642 HydrophobicContact CB-CD1 4.03Å; I590-L642 HydrophobicContact CG1-CD1 4.3Å; I609-L642 HydrophobicContact CD1-CD1 4.22Å; I609-L642 HydrophobicContact CG2-CB 4.11Å; I609-L642 HydrophobicContact CG2-CD1 4.38Å; S638-L642 WeakPolarHBondContact O-CG 3.06Å; S638-L642 PolarHBondContact O-N 3Å; A639-L642 PolarHBondContact O-N 3.4Å; L642-E645 PolarHBondContact O-N 3.05Å; L642-K646 WeakPolarHBondContact O-CG 3.29Å; L642-K646 PolarHBondContact O-N 3.38Å; L642-K646 VanDerWaalsContact O-N 3.12Å
643L74.7Confident72Confident25 Ų2548.6 Ų48.613%0.13123%0.233CC..Hα-helixtrans-66.7-44.9174.4-68.4174000111.8I609 V610 A613 A639 K640 M641 E645 K646 V647I609-L643 HydrophobicContact CG2-CD2 4.2Å; I609-L643 HydrophobicContact CG2-CG 4.04Å; V610-L643 HydrophobicContact CG2-CD1 4.21Å; V610-L643 HydrophobicContact CG2-CD2 3.64Å; A613-L643 HydrophobicContact CB-CD1 3.36Å; A613-L643 HydrophobicContact CB-CG 4.47Å; A639-L643 WeakPolarHBondContact O-CG 3.23Å; A639-L643 PolarHBondContact O-N 3.29Å; K640-L643 PolarHBondContact O-N 3.37Å; M641-L643 VanDerWaalsContact C-N 3.29Å; M641-L643 PolarHBondContact O-N 3.25Å; L643-E645 VanDerWaalsContact C-N 3.26Å; L643-E645 PolarHBondContact O-N 3.2Å; L643-K646 PolarHBondContact O-N 3.41Å; L643-V647 WeakPolarHBondContact O-CG2 3.28Å; L643-V647 PolarHBondContact O-N 2.95Å
644H67.6Low71.3Confident55 Ų5543.4 Ų43.426%0.25522%0.218SC..Hα-helixtrans-60.9-38.2176.9-167.9-60.5000111.6K640 M641 V647 E648K640-H644 WeakPolarHBondContact O-CB 3.26Å; K640-H644 PolarHBondContact O-N 3.42Å; M641-H644 WeakPolarHBondContact O-CB 3.41Å; M641-H644 PolarHBondContact O-N 3.46Å; H644-V647 PolarHBondContact O-N 3.09Å; H644-E648 IonicContact CE1-OE1 3.69Å; H644-E648 PolarHBondContact CE1-OE1 2.95Å; H644-E648 WeakPolarHBondContact O-CG 3.29Å; H644-E648 PolarHBondContact O-N 3.47Å
645E67.8Low70.7Confident44 Ų4444.4 Ų44.421%0.20622%0.222CC..Hα-helixtrans-64-42.1175.1-66.2-176169.500112.4I100 M641 L642 L643 G649I100-E645 HydrophobicContact CD1-CB 4.14Å; I100-E645 WeakPolarHBondContact CD1-O 3.27Å; M641-E645 WeakPolarHBondContact O-CG 3.34Å; M641-E645 PolarHBondContact O-N 3.17Å; L642-E645 PolarHBondContact O-N 3.05Å; L643-E645 VanDerWaalsContact C-N 3.26Å; L643-E645 PolarHBondContact O-N 3.2Å; E645-G649 PolarHBondContact O-N 2.95Å
646K69.7Low69.9Low102 Ų10247.3 Ų47.344%0.44325%0.247SC..Hα-helixtrans-63-43.6175.4-77.2176.3-178.7175.50111.4E589 L642 L643 G649 L650E589-K646 IonicContact OE2-NZ 3.67Å; L642-K646 WeakPolarHBondContact O-CG 3.29Å; L642-K646 PolarHBondContact O-N 3.38Å; L642-K646 VanDerWaalsContact O-N 3.12Å; L643-K646 PolarHBondContact O-N 3.41Å; K646-G649 PolarHBondContact O-N 3Å; K646-L650 WeakPolarHBondContact O-CG 3.48Å; K646-L650 PolarHBondContact O-N 3.13Å
647V67Low69Low20 Ų2051.1 Ų51.112%0.12127%0.266CS..Hα-helixtrans-60.8-50.6177164.60000111.6L643 H644 G649 L650 L651 L681 L685L643-V647 WeakPolarHBondContact O-CG2 3.28Å; L643-V647 PolarHBondContact O-N 2.95Å; H644-V647 PolarHBondContact O-N 3.09Å; V647-G649 VanDerWaalsContact C-N 3.3Å; V647-G649 PolarHBondContact O-N 3.42Å; V647-L650 PolarHBondContact O-N 2.99Å; V647-L651 HydrophobicContact CG1-CD1 3.95Å; V647-L651 WeakPolarHBondContact O-CG 3.5Å; V647-L651 PolarHBondContact O-N 3.44Å; V647-L681 HydrophobicContact CB-CD2 4.27Å; V647-L681 HydrophobicContact CG1-CD2 3.51Å; V647-L681 HydrophobicContact CG2-CD2 4.11Å; V647-L685 HydrophobicContact CG1-CD1 4.15Å; V647-L685 HydrophobicContact CG1-CD2 4.22Å; V647-L685 HydrophobicContact CG1-CG 4.26Å
648E66.7Low68.5Low29 Ų2951.6 Ų51.614%0.13628%0.276CS..Hα-helixtrans-60.7-39.3177.6-73.3-82.9154.800111.8R102 R103 H644 L651 E652R102-E648 VanDerWaalsContact NH1-CB 3.28Å; R103-E648 PolarHBondContact N-OE2 3.42Å; H644-E648 IonicContact CE1-OE1 3.69Å; H644-E648 PolarHBondContact CE1-OE1 2.95Å; H644-E648 WeakPolarHBondContact O-CG 3.29Å; H644-E648 PolarHBondContact O-N 3.47Å; E648-L651 PolarHBondContact O-N 2.91Å; E648-E652 WeakPolarHBondContact O-CB 3.32Å; E648-E652 PolarHBondContact O-N 3.46Å
649G66.2Low67.9Low8 Ų854.9 Ų54.98%0.08230%0.304CS..Hα-helixtrans-66-36.4176.800000113.5E645 K646 V647 S653E645-G649 PolarHBondContact O-N 2.95Å; K646-G649 PolarHBondContact O-N 3Å; V647-G649 VanDerWaalsContact C-N 3.3Å; V647-G649 PolarHBondContact O-N 3.42Å; G649-S653 WeakPolarHBondContact O-CB 3.38Å; G649-S653 PolarHBondContact O-N 2.92Å; G649-S653 PolarHBondContact O-OG 3.39Å
650L69.9Low66.9Low85 Ų8557.8 Ų57.845%0.44533%0.328SS..Hα-helixtrans-68.9-41.1173.6-73169.4000111.5K646 V647 S653 A654K646-L650 WeakPolarHBondContact O-CG 3.48Å; K646-L650 PolarHBondContact O-N 3.13Å; V647-L650 PolarHBondContact O-N 2.99Å; L650-S653 PolarHBondContact O-N 3.48Å; L650-A654 WeakPolarHBondContact O-CB 3.2Å; L650-A654 PolarHBondContact O-N 3.25Å
651L66.8Low65.3Low29 Ų2958.4 Ų58.415%0.15234%0.335CS..Hα-helixtrans-62.4-42.4175.7-77.8171.7000112.4R103 V647 E648 A654 E655 L681R103-L651 PolarHBondContact NH2-O 2.97Å; V647-L651 HydrophobicContact CG1-CD1 3.95Å; V647-L651 WeakPolarHBondContact O-CG 3.5Å; V647-L651 PolarHBondContact O-N 3.44Å; E648-L651 PolarHBondContact O-N 2.91Å; L651-A654 PolarHBondContact O-N 3Å; L651-E655 PolarHBondContact O-N 3.34Å; L651-L681 HydrophobicContact CD2-CD1 3.77Å; L651-L681 HydrophobicContact CG-CD1 4.28Å
652E64.5Low64.3Low64 Ų6461 Ų6130%0.29936%0.359SS..Hα-helixtrans-63.1-43174.1-177.9176-163.500111.2K101 E648 A654 E655 A656K101-E652 VanDerWaalsContact CB-CD 3.46Å; K101-E652 WeakPolarHBondContact CB-OE1 3.47Å; K101-E652 PolarHBondContact N-OE2 3.31Å; E648-E652 WeakPolarHBondContact O-CB 3.32Å; E648-E652 PolarHBondContact O-N 3.46Å; E652-A654 PolarHBondContact O-N 3.46Å; E652-E655 PolarHBondContact O-N 3.15Å; E652-A656 WeakPolarHBondContact O-CB 3.46Å; E652-A656 PolarHBondContact O-N 2.72Å
653S65.3Low62.9Low67 Ų6763.7 Ų63.747%0.46939%0.386SS..Hα-helixtrans-64-41.8177.9-55.50000111.6G649 L650 A656 L657G649-S653 WeakPolarHBondContact O-CB 3.38Å; G649-S653 PolarHBondContact O-N 2.92Å; G649-S653 PolarHBondContact O-OG 3.39Å; L650-S653 PolarHBondContact O-N 3.48Å; S653-A656 PolarHBondContact O-N 2.94Å; S653-L657 WeakPolarHBondContact O-CG 3.27Å; S653-L657 PolarHBondContact O-N 2.96Å; S653-L657 VanDerWaalsContact O-N 3.11Å
654A64.3Low61.2Low22 Ų2267.4 Ų67.418%0.18241%0.41CS..Hα-helixtrans-63.4-41.7175.700000111.9L650 L651 E652 L657 L658L650-A654 WeakPolarHBondContact O-CB 3.2Å; L650-A654 PolarHBondContact O-N 3.25Å; L651-A654 PolarHBondContact O-N 3Å; E652-A654 PolarHBondContact O-N 3.46Å; A654-L657 PolarHBondContact O-N 3.5Å; A654-L658 VanDerWaalsContact O-CG 3.3Å; A654-L658 WeakPolarHBondContact O-CG 3.23Å; A654-L658 PolarHBondContact O-N 3.42Å
655E64.2Low60Low86 Ų8674.4 Ų74.440%0.40244%0.443SS..Hα-helixtrans-66.3-40.7175.1-80.5-179.115300113R103 L651 E652 L657 L658 A659R103-E655 IonicContact CZ-OE1 3.43Å; R103-E655 IonicContact CZ-OE2 3.34Å; R103-E655 IonicContact NE-OE1 2.97Å; R103-E655 PolarHBondContact NE-OE1 2.83Å; R103-E655 IonicContact NE-OE2 2.94Å; R103-E655 PolarHBondContact NE-OE2 3.21Å; R103-E655 IonicContact NH1-OE1 3.53Å; R103-E655 PolarHBondContact NH1-OE1 2.85Å; R103-E655 VanDerWaalsContact NH1-OE1 3.16Å; R103-E655 VanDerWaalsContact NH2-CG 3.35Å; R103-E655 IonicContact NH2-OE1 3.02Å; R103-E655 PolarHBondContact NH2-OE1 2.75Å; R103-E655 IonicContact NH2-OE2 3.59Å; R103-E655 PolarHBondContact NH2-OE2 3.25Å; L651-E655 PolarHBondContact O-N 3.34Å; E652-E655 PolarHBondContact O-N 3.15Å; E655-L657 PolarHBondContact O-N 3.42Å; E655-L658 CarbonylContact O-C 3.49Å; E655-L658 PolarHBondContact O-N 2.84Å; E655-A659 VanDerWaalsContact O-CB 3.26Å; E655-A659 WeakPolarHBondContact O-CB 3.45Å; E655-A659 PolarHBondContact O-N 3.48Å
656A66Low58.7Low64 Ų6476.7 Ų76.753%0.52945%0.452SS..Hα-helixtrans-60.9-37.917700000111.5E652 S653 A659 A660E652-A656 WeakPolarHBondContact O-CB 3.46Å; E652-A656 PolarHBondContact O-N 2.72Å; S653-A656 PolarHBondContact O-N 2.94Å; A656-A659 PolarHBondContact O-N 3.43Å; A656-A660 PolarHBondContact O-N 3.48Å; A656-A660 VanDerWaalsContact O-N 3.13Å
657L63.6Low57.5Low92 Ų9275.8 Ų75.848%0.48246%0.455SS..Hα-helixtrans-65.1-47.3172.8-70.5168000111.7S653 A654 E655 A659 A660S653-L657 WeakPolarHBondContact O-CG 3.27Å; S653-L657 PolarHBondContact O-N 2.96Å; S653-L657 VanDerWaalsContact O-N 3.11Å; A654-L657 PolarHBondContact O-N 3.5Å; E655-L657 PolarHBondContact O-N 3.42Å; L657-A659 VanDerWaalsContact C-N 3.27Å; L657-A659 PolarHBondContact O-N 2.87Å; L657-A660 PolarHBondContact O-N 3.33Å
658L63.6Low56.3Low112 Ų11282.6 Ų82.659%0.58649%0.49SS*.Hα-helixtrans-66.5-24.4177-68.5169.6000113.6A654 E655 D661A654-L658 VanDerWaalsContact O-CG 3.3Å; A654-L658 WeakPolarHBondContact O-CG 3.23Å; A654-L658 PolarHBondContact O-N 3.42Å; E655-L658 CarbonylContact O-C 3.49Å; E655-L658 PolarHBondContact O-N 2.84Å; L658-D661 VanDerWaalsContact O-CB 3.26Å; L658-D661 WeakPolarHBondContact O-CB 3.29Å
659A61.5Low55.2Low82 Ų8289 Ų8968%0.67852%0.52SS*.Hα-helixtrans-85.7-23.517800000112.9E655 A656 L657 D661E655-A659 VanDerWaalsContact O-CB 3.26Å; E655-A659 WeakPolarHBondContact O-CB 3.45Å; E655-A659 PolarHBondContact O-N 3.48Å; A656-A659 PolarHBondContact O-N 3.43Å; L657-A659 VanDerWaalsContact C-N 3.27Å; L657-A659 PolarHBondContact O-N 2.87Å; A659-D661 PolarHBondContact O-N 2.9Å
660A58.5Low54.1Low62 Ų6292 Ų9251%0.51253%0.534SS..SBendtrans-71.9-8173.900000112.8A656 L657 S662A656-A660 PolarHBondContact O-N 3.48Å; A656-A660 VanDerWaalsContact O-N 3.13Å; L657-A660 PolarHBondContact O-N 3.33Å; A660-S662 PolarHBondContact O-N 3.13Å
661D43.6Very low52.9Low85 Ų8594.6 Ų94.646%0.45554%0.542SS..THydrogen-bonded Turntrans-74.324.1-166.4-133.91.8000115.3L658 A659 F666L658-D661 VanDerWaalsContact O-CB 3.26Å; L658-D661 WeakPolarHBondContact O-CB 3.29Å; A659-D661 PolarHBondContact O-N 2.9Å; D661-F666 WeakPolarHBondContact OD1-CD2 3.01Å; D661-F666 WeakPolarHBondContact OD1-CE2 3.2Å
662S47.2Very low51.8Low120 Ų12096.6 Ų96.684%0.83956%0.558SS**THydrogen-bonded Turntrans-92.63.1166.255.90000114A660A660-S662 PolarHBondContact O-N 3.13Å
663A42.1Very low51Low84 Ų84101.9 Ų101.969%0.69458%0.577SS**SBendtrans-145.5-2.7-173.200000120.7
664T39.5Very low50Low104 Ų104100.9 Ų100.964%0.63857%0.568SS**  trans-148.2130.5-178.242.40000114.9F666T664-F666 PolarHBondContact O-N 2.88Å
665E42Very low49.1Very low202 Ų202103.6 Ų103.694%0.94458%0.582SS**PPolyproline II helixtrans-59.7119.1174.4-75.1176.8149.800111.7
666F40.8Very low48.3Very low91 Ų91105.5 Ų105.540%0.39959%0.591SS.*PPolyproline II helixtrans-78.7144.2175.6-89.3-81.9000112.3D661 T664 D670D661-F666 WeakPolarHBondContact OD1-CD2 3.01Å; D661-F666 WeakPolarHBondContact OD1-CE2 3.2Å; T664-F666 PolarHBondContact O-N 2.88Å; F666-D670 HydrophobicContact CD1-CB 3.6Å; F666-D670 HydrophobicContact CE1-CB 4.15Å
667T45.1Very low47.3Very low84 Ų84104.6 Ų104.652%0.51558%0.576SS.*PPolyproline II helixtrans-87.6153.317367.20000111.3E669 D670T667-E669 PolarHBondContact O-N 3.47Å; T667-E669 VanDerWaalsContact O-N 3.1Å; T667-D670 PolarHBondContact N-OD2 3.46Å; T667-D670 WeakPolarHBondContact O-CB 3.34Å; T667-D670 PolarHBondContact O-N 3.03Å; T667-D670 VanDerWaalsContact O-N 3.08Å; T667-D670 PolarHBondContact OG1-OD2 2.91Å
668L41.9Very low46.4Very low163 Ų163104.8 Ų104.885%0.85358%0.578SS**Hα-helixtrans-55.8-25.8-179.4-95.4153000114S672L668-S672 PolarHBondContact O-N 3.49Å
669E43.4Very low45.5Very low162 Ų162102 Ų10276%0.75757%0.57SS**Hα-helixtrans-69.7-36.3177.5-70.2-172160.600112.4T667 F671 S672 Y673T667-E669 PolarHBondContact O-N 3.47Å; T667-E669 VanDerWaalsContact O-N 3.1Å; E669-F671 VanDerWaalsContact C-N 3.31Å; E669-F671 PolarHBondContact O-N 3.02Å; E669-S672 PolarHBondContact O-N 2.98Å; E669-Y673 PolarHBondContact O-N 2.98Å
670D43.1Very low44.6Very low72 Ų72103.9 Ų103.939%0.38557%0.568SS.*Hα-helixtrans-64.9-37.5178.1-60.5-53.6000111.3F666 T667 Y673 V674F666-D670 HydrophobicContact CD1-CB 3.6Å; F666-D670 HydrophobicContact CE1-CB 4.15Å; T667-D670 PolarHBondContact N-OD2 3.46Å; T667-D670 WeakPolarHBondContact O-CB 3.34Å; T667-D670 PolarHBondContact O-N 3.03Å; T667-D670 VanDerWaalsContact O-N 3.08Å; T667-D670 PolarHBondContact OG1-OD2 2.91Å; D670-Y673 PolarHBondContact O-N 3.44Å; D670-V674 PolarHBondContact O-N 3.15Å
671F43.7Very low43.8Very low139 Ų139101.5 Ų101.561%0.6155%0.547SS*.Hα-helixtrans-64.6-40.5177.9-118.9-85000112.4E669 Y673 V674 V675E669-F671 VanDerWaalsContact C-N 3.31Å; E669-F671 PolarHBondContact O-N 3.02Å; F671-Y673 VanDerWaalsContact C-N 3.28Å; F671-Y673 PolarHBondContact O-N 3.03Å; F671-V674 PolarHBondContact O-N 3.28Å; F671-V675 HydrophobicContact CD1-CG2 4.4Å; F671-V675 VanDerWaalsContact O-CG2 3.27Å; F671-V675 WeakPolarHBondContact O-CG2 3.24Å; F671-V675 PolarHBondContact O-N 3.24Å
672S43.8Very low43.7Very low71 Ų71101 Ų10150%0.49755%0.55SS.*Hα-helixtrans-63-37.3178-172.70000111.7L668 E669 H676L668-S672 PolarHBondContact O-N 3.49Å; E669-S672 PolarHBondContact O-N 2.98Å; S672-H676 WeakPolarHBondContact O-CB 3.45Å; S672-H676 PolarHBondContact O-N 2.82Å
673Y48Very low43.4Very low175 Ų175104.2 Ų104.269%0.68655%0.545SS*.Hα-helixtrans-68-43.8179.9-132.8-92.3000112E669 D670 F671 H676 I677E669-Y673 PolarHBondContact O-N 2.98Å; D670-Y673 PolarHBondContact O-N 3.44Å; F671-Y673 VanDerWaalsContact C-N 3.28Å; F671-Y673 PolarHBondContact O-N 3.03Å; Y673-H676 PolarHBondContact O-N 3.49Å; Y673-I677 HydrophobicContact CD1-CD1 3.87Å; Y673-I677 HydrophobicContact CE1-CD1 4.35Å; Y673-I677 WeakPolarHBondContact O-CB 3.24Å; Y673-I677 VanDerWaalsContact O-CG1 3.28Å; Y673-I677 WeakPolarHBondContact O-CG1 3.48Å; Y673-I677 PolarHBondContact O-N 3.46Å
674V44Very low43.3Very low46 Ų46102.9 Ų102.928%0.27953%0.531SS..Hα-helixtrans-66-42.5177.21770000111.3D670 F671 I677 L678D670-V674 PolarHBondContact O-N 3.15Å; F671-V674 PolarHBondContact O-N 3.28Å; V674-I677 PolarHBondContact O-N 2.89Å; V674-L678 HydrophobicContact CG1-CD1 3.96Å; V674-L678 HydrophobicContact CG1-CG 4.43Å; V674-L678 WeakPolarHBondContact O-CB 3.19Å; V674-L678 WeakPolarHBondContact O-CG 3.46Å; V674-L678 PolarHBondContact O-N 3.11Å
675V46.2Very low43.2Very low80 Ų8099.9 Ų99.949%0.48551%0.511SS..Hα-helixtrans-65.3-41.3178.1173.60000111.4F671 L678 A679F671-V675 HydrophobicContact CD1-CG2 4.4Å; F671-V675 VanDerWaalsContact O-CG2 3.27Å; F671-V675 WeakPolarHBondContact O-CG2 3.24Å; F671-V675 PolarHBondContact O-N 3.24Å; V675-L678 PolarHBondContact O-N 2.93Å; V675-A679 WeakPolarHBondContact O-CB 3.44Å; V675-A679 PolarHBondContact O-N 3.07Å
676H47.4Very low43Very low126 Ų12692.6 Ų92.658%0.58348%0.481SS*.Hα-helixtrans-64.3-40.4174.5-98.340.1000112.6S672 Y673 A679 L680S672-H676 WeakPolarHBondContact O-CB 3.45Å; S672-H676 PolarHBondContact O-N 2.82Å; Y673-H676 PolarHBondContact O-N 3.49Å; H676-A679 PolarHBondContact O-N 3.05Å; H676-L680 WeakPolarHBondContact O-CB 3.24Å; H676-L680 WeakPolarHBondContact O-CG 3.47Å; H676-L680 PolarHBondContact O-N 2.68Å
677I45.5Very low42.6Very low44 Ų4495.2 Ų95.223%0.22650%0.495CS..Hα-helixtrans-62.6-46.5174.9-71.7169.1000110Y673 V674 A679 L680 L681Y673-I677 HydrophobicContact CD1-CD1 3.87Å; Y673-I677 HydrophobicContact CE1-CD1 4.35Å; Y673-I677 WeakPolarHBondContact O-CB 3.24Å; Y673-I677 VanDerWaalsContact O-CG1 3.28Å; Y673-I677 WeakPolarHBondContact O-CG1 3.48Å; Y673-I677 PolarHBondContact O-N 3.46Å; V674-I677 PolarHBondContact O-N 2.89Å; I677-A679 PolarHBondContact O-N 2.96Å; I677-L680 PolarHBondContact O-N 2.84Å; I677-L681 HydrophobicContact CG2-CD1 3.57Å; I677-L681 HydrophobicContact CG2-CG 4.2Å; I677-L681 VanDerWaalsContact O-CB 3.24Å; I677-L681 WeakPolarHBondContact O-CB 3.38Å; I677-L681 WeakPolarHBondContact O-CD1 3.44Å; I677-L681 WeakPolarHBondContact O-CG 3.35Å; I677-L681 PolarHBondContact O-N 2.81Å
678L44Very low42.3Very low97 Ų9792.8 Ų92.851%0.50848%0.479SS..Hα-helixtrans-63.8-36.7177.6-71171.6000113.1V674 V675 L681 S682V674-L678 HydrophobicContact CG1-CD1 3.96Å; V674-L678 HydrophobicContact CG1-CG 4.43Å; V674-L678 WeakPolarHBondContact O-CB 3.19Å; V674-L678 WeakPolarHBondContact O-CG 3.46Å; V674-L678 PolarHBondContact O-N 3.11Å; V675-L678 PolarHBondContact O-N 2.93Å; L678-L681 HydrophobicContact CD2-CD1 4.25Å; L678-L681 WeakPolarHBondContact O-CB 3.25Å; L678-L681 PolarHBondContact O-N 2.95Å; L678-S682 PolarHBondContact O-N 2.98Å
679A43.6Very low42.1Very low52 Ų5289 Ų8943%0.4346%0.456SS..Hα-helixtrans-71.5-37.4176.100000112.9V675 H676 I677 L681 S682 Y683V675-A679 WeakPolarHBondContact O-CB 3.44Å; V675-A679 PolarHBondContact O-N 3.07Å; H676-A679 PolarHBondContact O-N 3.05Å; I677-A679 PolarHBondContact O-N 2.96Å; A679-L681 VanDerWaalsContact C-N 3.31Å; A679-S682 PolarHBondContact O-OG 2.82Å; A679-Y683 PolarHBondContact O-N 2.88Å
680L43Very low41.7Very low122 Ų12284 Ų8464%0.63943%0.434SS*.Hα-helixtrans-68.6-33.6171.4-77.3163.6000111.5H676 I677 Y683 S684H676-L680 WeakPolarHBondContact O-CB 3.24Å; H676-L680 WeakPolarHBondContact O-CG 3.47Å; H676-L680 PolarHBondContact O-N 2.68Å; I677-L680 PolarHBondContact O-N 2.84Å; L680-Y683 PolarHBondContact O-N 3.42Å; L680-S684 PolarHBondContact O-N 3.2Å
681L41.9Very low41.5Very low13 Ų1384.8 Ų84.87%0.06845%0.446CS..Hα-helixtrans-67.5-40.7176.2-76.2167.9000112V647 L651 I677 L678 A679 Y683 S684 L685V647-L681 HydrophobicContact CB-CD2 4.27Å; V647-L681 HydrophobicContact CG1-CD2 3.51Å; V647-L681 HydrophobicContact CG2-CD2 4.11Å; L651-L681 HydrophobicContact CD2-CD1 3.77Å; L651-L681 HydrophobicContact CG-CD1 4.28Å; I677-L681 HydrophobicContact CG2-CD1 3.57Å; I677-L681 HydrophobicContact CG2-CG 4.2Å; I677-L681 VanDerWaalsContact O-CB 3.24Å; I677-L681 WeakPolarHBondContact O-CB 3.38Å; I677-L681 WeakPolarHBondContact O-CD1 3.44Å; I677-L681 WeakPolarHBondContact O-CG 3.35Å; I677-L681 PolarHBondContact O-N 2.81Å; L678-L681 HydrophobicContact CD2-CD1 4.25Å; L678-L681 WeakPolarHBondContact O-CB 3.25Å; L678-L681 PolarHBondContact O-N 2.95Å; A679-L681 VanDerWaalsContact C-N 3.31Å; L681-Y683 VanDerWaalsContact C-N 3.31Å; L681-Y683 PolarHBondContact O-N 3.16Å; L681-S684 PolarHBondContact O-N 3.19Å; L681-L685 HydrophobicContact CB-CD1 4.09Å; L681-L685 HydrophobicContact CD2-CD1 3.97Å; L681-L685 WeakPolarHBondContact O-CB 3.37Å; L681-L685 PolarHBondContact O-N 3.19Å
682S42.6Very low41.4Very low75 Ų7581.7 Ų81.752%0.52444%0.438SS..Hα-helixtrans-62-39.8176.366.70000111.8L678 A679 C686L678-S682 PolarHBondContact O-N 2.98Å; A679-S682 PolarHBondContact O-OG 2.82Å; S682-C686 VanDerWaalsContact O-CB 3.23Å; S682-C686 WeakPolarHBondContact O-CB 3.17Å; S682-C686 PolarHBondContact O-N 3.37Å
683Y40.2Very low41.3Very low187 Ų18782.1 Ų82.173%0.73343%0.429SS*.Hα-helixtrans-70.8-42.6178.8-121.9-91.1000113.2A679 L680 L681A679-Y683 PolarHBondContact O-N 2.88Å; L680-Y683 PolarHBondContact O-N 3.42Å; L681-Y683 VanDerWaalsContact C-N 3.31Å; L681-Y683 PolarHBondContact O-N 3.16Å
684S39.7Very low41.7Very low56 Ų5674.5 Ų74.539%0.39240%0.401SS..Hα-helixtrans-81-33.5-177.5-1790000113.8L680 L681 L688L680-S684 PolarHBondContact O-N 3.2Å; L681-S684 PolarHBondContact O-N 3.19Å; S684-L688 PolarHBondContact O-N 3.16Å
685L37.2Very low42.9Very low40 Ų4072.9 Ų72.921%0.20939%0.39CS..Hα-helixtrans-74.3-35.4179-82152.8000111.6V647 L681 H687 L688 Q689V647-L685 HydrophobicContact CG1-CD1 4.15Å; V647-L685 HydrophobicContact CG1-CD2 4.22Å; V647-L685 HydrophobicContact CG1-CG 4.26Å; L681-L685 HydrophobicContact CB-CD1 4.09Å; L681-L685 HydrophobicContact CD2-CD1 3.97Å; L681-L685 WeakPolarHBondContact O-CB 3.37Å; L681-L685 PolarHBondContact O-N 3.19Å; L685-H687 VanDerWaalsContact C-N 3.26Å; L685-H687 PolarHBondContact O-N 3.17Å; L685-L688 PolarHBondContact O-N 3.22Å; L685-Q689 WeakPolarHBondContact O-CB 3.44Å; L685-Q689 PolarHBondContact O-N 2.82Å
686C37.8Very low44.4Very low49 Ų4971.2 Ų71.233%0.33138%0.376SS..Hα-helixtrans-59.6-37.5178.7-164.30000111.7S682 L690S682-C686 VanDerWaalsContact O-CB 3.23Å; S682-C686 WeakPolarHBondContact O-CB 3.17Å; S682-C686 PolarHBondContact O-N 3.37Å; C686-L690 WeakPolarHBondContact O-CD1 3.27Å; C686-L690 WeakPolarHBondContact O-CG 3.5Å
687H33.2Very low46Very low146 Ų14667.3 Ų67.368%0.67636%0.361SS*.Hα-helixtrans-79.7-26.5177.9-90.9-54.5000115.2L685L685-H687 VanDerWaalsContact C-N 3.26Å; L685-H687 PolarHBondContact O-N 3.17Å
688L38.9Very low47.8Very low34 Ų3466.1 Ų66.118%0.17836%0.355CS..Hα-helixtrans-93.5-29.5-177.1-124.984.2000114.1K640 S684 L685 L690K640-L688 HydrophobicContact CB-CD2 4.29Å; K640-L688 HydrophobicContact CD-CD1 4.4Å; K640-L688 HydrophobicContact CG-CD1 4.3Å; S684-L688 PolarHBondContact O-N 3.16Å; L685-L688 PolarHBondContact O-N 3.22Å; L688-L690 PolarHBondContact O-N 2.91Å
689Q36.7Very low49.7Very low83 Ų8363 Ų6339%0.38834%0.341SS..G310 helixtrans-68.5-17.4179-90.3174.4-40.900113.7L685 S691 Y693L685-Q689 WeakPolarHBondContact O-CB 3.44Å; L685-Q689 PolarHBondContact O-N 2.82Å; Q689-S691 VanDerWaalsContact C-N 3.26Å; Q689-S691 PolarHBondContact O-N 2.63Å; Q689-Y693 WeakPolarHBondContact O-CD2 3.27Å
690L34.4Very low51.4Low56 Ų5666.8 Ų66.829%0.29335%0.353SS..G310 helixtrans-66.9-19.7-176.6-74163.6000114.2C686 L688 R696 T699C686-L690 WeakPolarHBondContact O-CD1 3.27Å; C686-L690 WeakPolarHBondContact O-CG 3.5Å; L688-L690 PolarHBondContact O-N 2.91Å; L690-R696 HydrophobicContact CD2-CB 4.25Å; L690-R696 HydrophobicContact CD2-CG 4.32Å; L690-T699 HydrophobicContact CD2-CG2 4.46Å
691S38.7Very low53.2Low90 Ų9068.2 Ų68.263%0.62936%0.357SS*.G310 helixtrans-97-5.6-172.368.70000116.5Q689Q689-S691 VanDerWaalsContact C-N 3.26Å; Q689-S691 PolarHBondContact O-N 2.63Å
692V41.8Very low55.5Low73 Ų7368.6 Ų68.644%0.44236%0.358SS..THydrogen-bonded Turntrans-105.3-21.7-172.2-175.60000113
693Y41.8Very low57.6Low81 Ų8167.2 Ų67.232%0.31835%0.347SS..  trans-90.8127.8179.8-65.1-79000111.3Q689 M695 P697Q689-Y693 WeakPolarHBondContact O-CD2 3.27Å; Y693-M695 VanDerWaalsContact CB-O 3.26Å; Y693-M695 WeakPolarHBondContact CB-O 3.41Å; Y693-M695 PolarHBondContact O-N 2.61Å; Y693-P697 HydrophobicContact CD2-CG 4.49Å
694V56.9Low59.8Low15 Ų1564.3 Ų64.39%0.09134%0.34CS..SBendtrans-48.4-42.3169-172.60000111.4H734 A749 F752 F754 T757V694-H734 PolarHBondContact O-ND1 2.71Å; V694-A749 WeakPolarHBondContact CG2-O 3.21Å; V694-F752 VanDerWaalsContact CG1-O 3.28Å; V694-F752 WeakPolarHBondContact CG1-O 3.39Å; V694-F752 WeakPolarHBondContact CG2-O 3.35Å; V694-F754 VanDerWaalsContact O-CD2 3.32Å; V694-F754 WeakPolarHBondContact O-CD2 3.31Å; V694-T757 HydrophobicContact CG1-CG2 4.05Å; V694-T757 WeakPolarHBondContact CG1-OG1 3.3Å
695M70Confident62.2Low11 Ų1163.1 Ų63.15%0.05433%0.333CS..SBendtrans-123.3115.1162.9-57-162.8172.200108.9Y693 R732 H734 Y739 T757 L760Y693-M695 VanDerWaalsContact CB-O 3.26Å; Y693-M695 WeakPolarHBondContact CB-O 3.41Å; Y693-M695 PolarHBondContact O-N 2.61Å; M695-R732 HydrophobicContact CB-CB 3.83Å; M695-R732 HydrophobicContact CB-CG 4.45Å; M695-R732 WeakPolarHBondContact O-CD 3.26Å; M695-R732 HydrophobicContact SD-CB 4.39Å; M695-H734 HydrophobicContact CB-CB 4.26Å; M695-H734 HydrophobicContact CE-CB 3.93Å; M695-H734 HydrophobicContact CG-CB 3.73Å; M695-H734 HydrophobicContact SD-CB 3.84Å; M695-Y739 HydrophobicContact CE-CD2 4.23Å; M695-Y739 HydrophobicContact CE-CE2 4.28Å; M695-Y739 HydrophobicContact SD-CD2 3.91Å; M695-Y739 HydrophobicContact SD-CE2 4.47Å; M695-Y739 HydrophobicContact SD-CG 4.23Å; M695-T757 HydrophobicContact CE-CG2 3.62Å; M695-L760 HydrophobicContact CE-CB 3.35Å; M695-L760 HydrophobicContact SD-CB 3.9Å; M695-L760 HydrophobicContact SD-CD2 4.25Å
696R78.1Confident64.8Low46 Ų4661.2 Ų61.217%0.17432%0.323CS..BIsolated β-bridgetrans-75.8157.3-174.757.8159.2-174.197.3-6.4112.7L690 E702 R732 F733L690-R696 HydrophobicContact CD2-CB 4.25Å; L690-R696 HydrophobicContact CD2-CG 4.32Å; R696-E702 IonicContact CZ-OE1 3.41Å; R696-E702 IonicContact CZ-OE2 2.71Å; R696-E702 IonicContact NH1-OE1 3.64Å; R696-E702 IonicContact NH1-OE2 3.84Å; R696-E702 PolarHBondContact NH1-OE2 3Å; R696-E702 IonicContact NH2-OE1 3.11Å; R696-E702 PolarHBondContact NH2-OE1 3.26Å; R696-E702 IonicContact NH2-OE2 3.98Å; R696-E702 PolarHBondContact NH2-OE2 3.04Å; R696-R732 CarbonylContact O-C 3.58Å; R696-R732 WeakPolarHBondContact O-CA 3.48Å; R696-F733 HydrophobicContact CG-CB 4.16Å; R696-F733 HydrophobicContact CG-CD1 4.17Å; R696-F733 VanDerWaalsContact CZ-CD1 3.42Å; R696-F733 PolarHBondContact N-O 3.15Å; R696-F733 VanDerWaalsContact N-O 3.15Å; R696-F733 VanDerWaalsContact NH2-CD1 3.29Å; R696-F733 VanDerWaalsContact NH2-CE1 3.35Å; R696-F733 PolarHBondContact O-N 3.38Å
697P80.9Confident67.3Low44 Ų4462.3 Ų62.329%0.28632%0.322SS..PPolyproline II helixtrans-56.8153.8161.5-2032.5000111Y693Y693-P697 HydrophobicContact CD2-CG 4.49Å
698L83Confident69.9Low19 Ų1961.9 Ų61.910%0.09932%0.318CS..PPolyproline II helixtrans-66.4146.3167.6-69.3144.3000109.3E702 V703 V706 F731 F733 V738 F767L698-E702 WeakPolarHBondContact CA-OE2 2.91Å; L698-E702 HydrophobicContact CB-CB 4.01Å; L698-E702 HydrophobicContact CD2-CB 3.61Å; L698-E702 HydrophobicContact CG-CB 4.43Å; L698-V703 HydrophobicContact CB-CG2 3.53Å; L698-V703 HydrophobicContact CD1-CG2 4.33Å; L698-V706 HydrophobicContact CD2-CG2 4.02Å; L698-F731 HydrophobicContact CD1-CB 3.33Å; L698-F731 HydrophobicContact CD1-CG 4.25Å; L698-F733 HydrophobicContact CD2-CB 4.38Å; L698-F733 HydrophobicContact CD2-CD2 4.49Å; L698-V738 HydrophobicContact CD1-CG1 4.07Å; L698-V738 HydrophobicContact CD2-CG1 4.14Å; L698-V738 HydrophobicContact CD2-CG2 3.79Å; L698-F767 HydrophobicContact CD2-CE2 4.02Å
699T83Confident72.3Confident32 Ų3261.9 Ų61.920%0.19632%0.317CS..PPolyproline II helixtrans-72.3164.2167.464.80000110.2L690 E701 E702 V703L690-T699 HydrophobicContact CD2-CG2 4.46Å; T699-E701 VanDerWaalsContact C-N 3.27Å; T699-E701 PolarHBondContact O-N 2.62Å; T699-E702 PolarHBondContact N-OE2 3.37Å; T699-E702 CarbonylContact O-C 3.56Å; T699-E702 WeakPolarHBondContact O-CB 3.3Å; T699-E702 PolarHBondContact O-N 3.39Å; T699-E702 WeakPolarHBondContact OG1-CG 2.91Å; T699-E702 PolarHBondContact OG1-N 3.44Å; T699-E702 PolarHBondContact OG1-OE2 3.24Å; T699-V703 WeakPolarHBondContact O-CG2 3.45Å; T699-V703 PolarHBondContact O-N 3.39Å
700D79Confident74.9Confident130 Ų13057.9 Ų57.970%0.69530%0.298SS*.Hα-helixtrans-57.2-40.7179.8-64.8-32.6000112.5E702 V703 E704D700-E702 VanDerWaalsContact C-N 3.34Å; D700-E702 PolarHBondContact O-N 3.31Å; D700-V703 PolarHBondContact O-N 3.38Å; D700-E704 WeakPolarHBondContact O-CB 3.29Å; D700-E704 PolarHBondContact O-N 3.49Å
701E82.4Confident77.5Confident153 Ų15357.3 Ų57.372%0.71530%0.301SS*.Hα-helixtrans-61.7-40.7175-63.3176.7176.600112.2T699 A705T699-E701 VanDerWaalsContact C-N 3.27Å; T699-E701 PolarHBondContact O-N 2.62Å; E701-A705 WeakPolarHBondContact O-CB 3.33Å; E701-A705 PolarHBondContact O-N 2.9Å
702E88.4Confident79.8Confident21 Ų2158.4 Ų58.410%0.09830%0.295CS..Hα-helixtrans-72.7-39.5178.2-68.7168.7164.400111.7R696 L698 T699 D700 E704 A705 V706 F767R696-E702 IonicContact CZ-OE1 3.41Å; R696-E702 IonicContact CZ-OE2 2.71Å; R696-E702 IonicContact NH1-OE1 3.64Å; R696-E702 IonicContact NH1-OE2 3.84Å; R696-E702 PolarHBondContact NH1-OE2 3Å; R696-E702 IonicContact NH2-OE1 3.11Å; R696-E702 PolarHBondContact NH2-OE1 3.26Å; R696-E702 IonicContact NH2-OE2 3.98Å; R696-E702 PolarHBondContact NH2-OE2 3.04Å; L698-E702 WeakPolarHBondContact CA-OE2 2.91Å; L698-E702 HydrophobicContact CB-CB 4.01Å; L698-E702 HydrophobicContact CD2-CB 3.61Å; L698-E702 HydrophobicContact CG-CB 4.43Å; T699-E702 PolarHBondContact N-OE2 3.37Å; T699-E702 CarbonylContact O-C 3.56Å; T699-E702 WeakPolarHBondContact O-CB 3.3Å; T699-E702 PolarHBondContact O-N 3.39Å; T699-E702 WeakPolarHBondContact OG1-CG 2.91Å; T699-E702 PolarHBondContact OG1-N 3.44Å; T699-E702 PolarHBondContact OG1-OE2 3.24Å; D700-E702 VanDerWaalsContact C-N 3.34Å; D700-E702 PolarHBondContact O-N 3.31Å; E702-E704 VanDerWaalsContact C-N 3.31Å; E702-A705 PolarHBondContact O-N 3.27Å; E702-V706 WeakPolarHBondContact O-CB 3.34Å; E702-V706 WeakPolarHBondContact O-CG2 3.44Å; E702-V706 PolarHBondContact O-N 3.11Å; E702-F767 HydrophobicContact CB-CE2 4.05Å; E702-F767 HydrophobicContact CB-CZ 3.67Å; E702-F767 HydrophobicContact CG-CE1 4.29Å; E702-F767 HydrophobicContact CG-CE2 4.09Å; E702-F767 HydrophobicContact CG-CZ 3.8Å
703V87.8Confident82.2Confident46 Ų4655.1 Ų55.128%0.27928%0.275SS..Hα-helixtrans-57.8-48.2172.7171.40000109.3L698 T699 D700 A705 V706 F707L698-V703 HydrophobicContact CB-CG2 3.53Å; L698-V703 HydrophobicContact CD1-CG2 4.33Å; T699-V703 WeakPolarHBondContact O-CG2 3.45Å; T699-V703 PolarHBondContact O-N 3.39Å; D700-V703 PolarHBondContact O-N 3.38Å; V703-A705 PolarHBondContact O-N 3.15Å; V703-V706 PolarHBondContact O-N 3.25Å; V703-F707 HydrophobicContact CG1-CD2 3.97Å; V703-F707 HydrophobicContact CG1-CE2 4Å; V703-F707 HydrophobicContact CG1-CG 4.32Å; V703-F707 HydrophobicContact CG1-CZ 4.37Å; V703-F707 VanDerWaalsContact O-CB 3.29Å; V703-F707 WeakPolarHBondContact O-CB 3.32Å; V703-F707 WeakPolarHBondContact O-CG 3.48Å; V703-F707 PolarHBondContact O-N 3.04Å
704E87Confident84.5Confident126 Ų12651.3 Ų51.359%0.58926%0.26SS*.Hα-helixtrans-59.3-47177.1-166.7-169.2155.100111D700 E702 V706 F707 K708D700-E704 WeakPolarHBondContact O-CB 3.29Å; D700-E704 PolarHBondContact O-N 3.49Å; E702-E704 VanDerWaalsContact C-N 3.31Å; E704-V706 PolarHBondContact O-N 3.44Å; E704-F707 PolarHBondContact O-N 2.87Å; E704-K708 WeakPolarHBondContact O-CB 3.33Å; E704-K708 PolarHBondContact O-N 3.31Å
705A89.8Confident85.9Confident30 Ų3051.6 Ų51.625%0.24827%0.266CS..Hα-helixtrans-61.9-44.4179.800000112.9E701 E702 V703 K709 F767 F773E701-A705 WeakPolarHBondContact O-CB 3.33Å; E701-A705 PolarHBondContact O-N 2.9Å; E702-A705 PolarHBondContact O-N 3.27Å; V703-A705 PolarHBondContact O-N 3.15Å; A705-K709 PolarHBondContact O-N 3.28Å; A705-K709 VanDerWaalsContact O-N 3.16Å; A705-F767 HydrophobicContact CB-CE1 3.84Å; A705-F767 HydrophobicContact CB-CZ 4.07Å; A705-F773 HydrophobicContact CB-CB 4.38Å
706V91.1Very high86.4Confident0 Ų056.8 Ų56.80%030%0.298CS..Hα-helixtrans-65-49.7177.9173.80000110.2L698 E702 V703 E704 K709 L710 V738 F767 F773L698-V706 HydrophobicContact CD2-CG2 4.02Å; E702-V706 WeakPolarHBondContact O-CB 3.34Å; E702-V706 WeakPolarHBondContact O-CG2 3.44Å; E702-V706 PolarHBondContact O-N 3.11Å; V703-V706 PolarHBondContact O-N 3.25Å; E704-V706 PolarHBondContact O-N 3.44Å; V706-K709 PolarHBondContact O-N 2.93Å; V706-L710 HydrophobicContact CG1-CD1 3.86Å; V706-L710 HydrophobicContact CG1-CG 4.43Å; V706-L710 WeakPolarHBondContact O-CG 3.07Å; V706-L710 PolarHBondContact O-N 3.33Å; V706-V738 HydrophobicContact CG2-CG1 4.33Å; V706-V738 HydrophobicContact CG2-CG2 4.08Å; V706-F767 HydrophobicContact CG2-CE2 3.95Å; V706-F767 HydrophobicContact CG2-CZ 3.88Å; V706-F773 HydrophobicContact CB-CD1 4.33Å; V706-F773 HydrophobicContact CB-CE1 4.18Å; V706-F773 HydrophobicContact CB-CZ 4.41Å; V706-F773 HydrophobicContact CG1-CE1 3.97Å; V706-F773 HydrophobicContact CG1-CZ 4.07Å; V706-F773 HydrophobicContact CG2-CD1 4.05Å; V706-F773 HydrophobicContact CG2-CD2 3.83Å; V706-F773 HydrophobicContact CG2-CE1 3.99Å; V706-F773 HydrophobicContact CG2-CE2 3.78Å; V706-F773 HydrophobicContact CG2-CG 3.97Å; V706-F773 HydrophobicContact CG2-CZ 3.85Å
707F90.1Very high86.5Confident73 Ų7357.4 Ų57.432%0.3231%0.305SS..Hα-helixtrans-68.9-38-176.9-77.39.9000112V703 E704 K709 L710 A711 I718 V722 F731V703-F707 HydrophobicContact CG1-CD2 3.97Å; V703-F707 HydrophobicContact CG1-CE2 4Å; V703-F707 HydrophobicContact CG1-CG 4.32Å; V703-F707 HydrophobicContact CG1-CZ 4.37Å; V703-F707 VanDerWaalsContact O-CB 3.29Å; V703-F707 WeakPolarHBondContact O-CB 3.32Å; V703-F707 WeakPolarHBondContact O-CG 3.48Å; V703-F707 PolarHBondContact O-N 3.04Å; E704-F707 PolarHBondContact O-N 2.87Å; F707-K709 VanDerWaalsContact C-N 3.27Å; F707-K709 PolarHBondContact O-N 3.02Å; F707-L710 HydrophobicContact CD1-CD1 4.3Å; F707-L710 PolarHBondContact O-N 3.43Å; F707-A711 WeakPolarHBondContact O-CB 3.3Å; F707-A711 PolarHBondContact O-N 2.92Å; F707-I718 HydrophobicContact CB-CD1 3.97Å; F707-I718 HydrophobicContact CD1-CD1 3.5Å; F707-I718 HydrophobicContact CD2-CD1 4.18Å; F707-I718 HydrophobicContact CE1-CD1 3.95Å; F707-I718 HydrophobicContact CG-CD1 3.62Å; F707-I718 HydrophobicContact CZ-CD1 4.45Å; F707-V722 HydrophobicContact CZ-CG2 4.45Å; F707-F731 AromaticContact CE1-CD2 3.93Å; F707-F731 HydrophobicContact CE1-CD2 3.93Å; F707-F731 AromaticContact CE1-CE2 3.64Å; F707-F731 HydrophobicContact CE1-CE2 3.64Å; F707-F731 HydrophobicContact CE1-CZ 4.29Å; F707-F731 HydrophobicContact CZ-CD2 4.41Å; F707-F731 HydrophobicContact CZ-CE2 4.22Å
708K88.5Confident86.5Confident137 Ų13756.4 Ų56.460%0.59630%0.297SS*.Hα-helixtrans-60.5-36.7172.8-173.9174.5-171.5167.10111.8E704E704-K708 WeakPolarHBondContact O-CB 3.33Å; E704-K708 PolarHBondContact O-N 3.31Å
709K89.7Confident86.2Confident33 Ų3364.7 Ų64.714%0.14333%0.327CS..Hα-helixtrans-73.7-43.7176-168.971.5174-173.90111.8A705 V706 F707 K712 F713 F773 L775A705-K709 PolarHBondContact O-N 3.28Å; A705-K709 VanDerWaalsContact O-N 3.16Å; V706-K709 PolarHBondContact O-N 2.93Å; F707-K709 VanDerWaalsContact C-N 3.27Å; F707-K709 PolarHBondContact O-N 3.02Å; K709-K712 WeakPolarHBondContact O-CB 3.24Å; K709-K712 PolarHBondContact O-N 2.63Å; K709-F713 WeakPolarHBondContact O-CD2 3.45Å; K709-F773 HydrophobicContact CB-CD1 3.76Å; K709-F773 HydrophobicContact CB-CE1 4.31Å; K709-F773 HydrophobicContact CG-CD1 4Å; K709-F773 HydrophobicContact CG-CE1 4.43Å; K709-L775 HydrophobicContact CG-CD1 4.23Å; K709-L775 HydrophobicContact CG-CG 3.96Å
710L90.9Very high85.9Confident0 Ų067.5 Ų67.50%034%0.34CS..Hα-helixtrans-63.1-44.8176.7-72.6172000111.9V706 F707 K712 F713 I714 I718 F731 I764 L775 I783V706-L710 HydrophobicContact CG1-CD1 3.86Å; V706-L710 HydrophobicContact CG1-CG 4.43Å; V706-L710 WeakPolarHBondContact O-CG 3.07Å; V706-L710 PolarHBondContact O-N 3.33Å; F707-L710 HydrophobicContact CD1-CD1 4.3Å; F707-L710 PolarHBondContact O-N 3.43Å; L710-K712 PolarHBondContact O-N 3.47Å; L710-K712 VanDerWaalsContact O-N 3.08Å; L710-F713 PolarHBondContact O-N 3.32Å; L710-I714 WeakPolarHBondContact O-CG1 3.36Å; L710-I714 PolarHBondContact O-N 3.39Å; L710-I714 VanDerWaalsContact O-N 3.1Å; L710-I718 HydrophobicContact CB-CD1 3.73Å; L710-I718 HydrophobicContact CD1-CD1 3.79Å; L710-I718 HydrophobicContact CD1-CG1 4.4Å; L710-I718 HydrophobicContact CG-CD1 4.42Å; L710-F731 HydrophobicContact CD1-CE1 4.22Å; L710-F731 HydrophobicContact CD1-CZ 3.91Å; L710-I764 HydrophobicContact CD2-CG2 4.12Å; L710-L775 HydrophobicContact CD2-CD2 3.77Å; L710-I783 HydrophobicContact CD2-CD1 3.45Å; L710-I783 VanDerWaalsContact CD2-CD1 3.45Å; L710-I783 HydrophobicContact CD2-CG1 4.08Å
711A88.4Confident85.8Confident43 Ų4361.4 Ų61.436%0.35531%0.308SS..Hα-helixtrans-57.9-25.7179.100000113.1F707 F713 G715F707-A711 WeakPolarHBondContact O-CB 3.3Å; F707-A711 PolarHBondContact O-N 2.92Å; A711-F713 PolarHBondContact O-N 3Å; A711-G715 VanDerWaalsContact O-CA 3.22Å; A711-G715 WeakPolarHBondContact O-CA 3.36Å; A711-G715 PolarHBondContact O-N 3.23Å
712K88.4Confident85.4Confident113 Ų11356 Ų5649%0.49129%0.285SS..Hα-helixtrans-63.1-25.5173.1-73.5-175.3175.6-167.90113.8K709 L710 G824K709-K712 WeakPolarHBondContact O-CB 3.24Å; K709-K712 PolarHBondContact O-N 2.63Å; L710-K712 PolarHBondContact O-N 3.47Å; L710-K712 VanDerWaalsContact O-N 3.08Å; K712-G824 WeakPolarHBondContact O-CA 3.33Å; K712-G824 PolarHBondContact O-N 3.35Å
713F91.9Very high84.6Confident4 Ų460.5 Ų60.52%0.01831%0.31CS..Hα-helixtrans-105.5-34.8-177.9-65.2-85.4000113K709 L710 A711 L775 I783 K788 I826 F837K709-F713 WeakPolarHBondContact O-CD2 3.45Å; L710-F713 PolarHBondContact O-N 3.32Å; A711-F713 PolarHBondContact O-N 3Å; F713-L775 HydrophobicContact CD2-CD1 3.62Å; F713-L775 HydrophobicContact CE2-CD1 3.5Å; F713-L775 HydrophobicContact CZ-CD1 4.37Å; F713-I783 HydrophobicContact CB-CG2 4.04Å; F713-K788 PolarHBondContact O-N 3.37Å; F713-I826 HydrophobicContact CD1-CD1 3.76Å; F713-I826 HydrophobicContact CE1-CD1 4.43Å; F713-I826 HydrophobicContact CG-CD1 4.43Å; F713-F837 AromaticContact CD1-CD1 3.91Å; F713-F837 HydrophobicContact CD1-CD1 3.91Å; F713-F837 HydrophobicContact CE1-CB 3.87Å; F713-F837 AromaticContact CE1-CD1 3.82Å; F713-F837 HydrophobicContact CE1-CD1 3.82Å; F713-F837 HydrophobicContact CE1-CG 4.33Å; F713-F837 HydrophobicContact CG-CD1 4.34Å; F713-F837 HydrophobicContact CZ-CB 4.06Å; F713-F837 HydrophobicContact CZ-CD1 4.18Å
714I90.4Very high83.8Confident1 Ų162.3 Ų62.31%0.00531%0.312CS..Hα-helixtrans-122.2-2.3-173.363173.6000114.1L710 T716 N717 I718 M721 I783 Y786L710-I714 WeakPolarHBondContact O-CG1 3.36Å; L710-I714 PolarHBondContact O-N 3.39Å; L710-I714 VanDerWaalsContact O-N 3.1Å; I714-T716 PolarHBondContact O-N 3.08Å; I714-N717 HydrophobicContact CB-CB 4.33Å; I714-N717 VanDerWaalsContact O-CB 3.23Å; I714-N717 WeakPolarHBondContact O-CB 3.26Å; I714-N717 PolarHBondContact O-N 3.47Å; I714-I718 HydrophobicContact CD1-CB 4.01Å; I714-I718 HydrophobicContact CD1-CG1 4.26Å; I714-I718 HydrophobicContact CG1-CB 4.45Å; I714-M721 HydrophobicContact CD1-CG 4.39Å; I714-M721 HydrophobicContact CD1-SD 3.62Å; I714-I783 HydrophobicContact CG2-CG2 3.49Å; I714-I783 VanDerWaalsContact CG2-CG2 3.49Å; I714-Y786 WeakPolarHBondContact CG2-O 3.37Å
715G84.6Confident82.9Confident22 Ų2266.2 Ų66.223%0.22733%0.33CS..G310 helixtrans54.6-131.1179.100000113A711 N717A711-G715 VanDerWaalsContact O-CA 3.22Å; A711-G715 WeakPolarHBondContact O-CA 3.36Å; A711-G715 PolarHBondContact O-N 3.23Å; G715-N717 PolarHBondContact O-N 3.06Å
716T80.4Confident82.2Confident119 Ų11970 Ų7073%0.7335%0.346SS*.G310 helixtrans-71.6-11.8178.948.70000113.8I714 I718 R719I714-T716 PolarHBondContact O-N 3.08Å; T716-I718 PolarHBondContact O-N 3.44Å; T716-I718 VanDerWaalsContact O-N 3.09Å; T716-R719 PolarHBondContact O-N 2.73Å
717N81.3Confident81.4Confident59 Ų5972.8 Ų72.832%0.31636%0.359SS..G310 helixtrans-68.9-4.9179.6-61.6-20.3000113.2I714 G715 R719 L720 Y786I714-N717 HydrophobicContact CB-CB 4.33Å; I714-N717 VanDerWaalsContact O-CB 3.23Å; I714-N717 WeakPolarHBondContact O-CB 3.26Å; I714-N717 PolarHBondContact O-N 3.47Å; G715-N717 PolarHBondContact O-N 3.06Å; N717-R719 PolarHBondContact O-N 3.48Å; N717-R719 VanDerWaalsContact O-N 3.14Å; N717-L720 HydrophobicContact CB-CD1 4.19Å; N717-L720 WeakPolarHBondContact O-CB 3.34Å; N717-L720 PolarHBondContact O-N 3.22Å; N717-Y786 PolarHBondContact ND2-O 2.93Å
718I80.1Confident80.8Confident23 Ų2372.8 Ų72.812%0.11837%0.365CS..Hα-helixtrans-54.5-30172.5-161.6167.4000112.7F707 L710 I714 T716 L720 M721 V722F707-I718 HydrophobicContact CB-CD1 3.97Å; F707-I718 HydrophobicContact CD1-CD1 3.5Å; F707-I718 HydrophobicContact CD2-CD1 4.18Å; F707-I718 HydrophobicContact CE1-CD1 3.95Å; F707-I718 HydrophobicContact CG-CD1 3.62Å; F707-I718 HydrophobicContact CZ-CD1 4.45Å; L710-I718 HydrophobicContact CB-CD1 3.73Å; L710-I718 HydrophobicContact CD1-CD1 3.79Å; L710-I718 HydrophobicContact CD1-CG1 4.4Å; L710-I718 HydrophobicContact CG-CD1 4.42Å; I714-I718 HydrophobicContact CD1-CB 4.01Å; I714-I718 HydrophobicContact CD1-CG1 4.26Å; I714-I718 HydrophobicContact CG1-CB 4.45Å; T716-I718 PolarHBondContact O-N 3.44Å; T716-I718 VanDerWaalsContact O-N 3.09Å; I718-L720 PolarHBondContact O-N 3.39Å; I718-M721 WeakPolarHBondContact O-CB 3.35Å; I718-M721 PolarHBondContact O-N 2.81Å; I718-M721 VanDerWaalsContact O-N 3.1Å; I718-V722 PolarHBondContact O-N 2.93Å
719R76.5Confident80.7Confident193 Ų19367.5 Ų67.573%0.72834%0.342SS*.Hα-helixtrans-61-33175.4-66.4-176.3179.4178.4-0.2112.4T716 N717 M721 V722 N723T716-R719 PolarHBondContact O-N 2.73Å; N717-R719 PolarHBondContact O-N 3.48Å; N717-R719 VanDerWaalsContact O-N 3.14Å; R719-M721 VanDerWaalsContact C-N 3.3Å; R719-V722 PolarHBondContact O-N 3.44Å; R719-N723 WeakPolarHBondContact O-CB 3.4Å; R719-N723 PolarHBondContact O-N 2.91Å
720L76.6Confident80.6Confident91 Ų9167 Ų6748%0.47634%0.342SS..Hα-helixtrans-72.9-23.9178-57.3174.6000112.3N717 I718 Y786N717-L720 HydrophobicContact CB-CD1 4.19Å; N717-L720 WeakPolarHBondContact O-CB 3.34Å; N717-L720 PolarHBondContact O-N 3.22Å; I718-L720 PolarHBondContact O-N 3.39Å; L720-Y786 HydrophobicContact CB-CD1 4.14Å; L720-Y786 HydrophobicContact CB-CE1 3.77Å; L720-Y786 HydrophobicContact CD1-CD1 3.95Å; L720-Y786 HydrophobicContact CD1-CE1 4.05Å
721M77.4Confident80.5Confident2 Ų267.9 Ų67.91%0.0135%0.346CS..Hα-helixtrans-73.8-46.5170.3-74.9-17662.600110.7I714 I718 R719 R724 Y740 I783 Y786I714-M721 HydrophobicContact CD1-CG 4.39Å; I714-M721 HydrophobicContact CD1-SD 3.62Å; I718-M721 WeakPolarHBondContact O-CB 3.35Å; I718-M721 PolarHBondContact O-N 2.81Å; I718-M721 VanDerWaalsContact O-N 3.1Å; R719-M721 VanDerWaalsContact C-N 3.3Å; M721-R724 WeakPolarHBondContact O-CG 3.15Å; M721-Y740 HydrophobicContact CE-CE2 4.33Å; M721-Y740 PolarHBondContact O-OH 3.19Å; M721-I783 HydrophobicContact SD-CG1 4.41Å; M721-Y786 HydrophobicContact CG-CD2 3.91Å; M721-Y786 HydrophobicContact CG-CE2 3.87Å
722V73.5Confident80.6Confident40 Ų4068 Ų6824%0.24234%0.337CS..Hα-helixtrans-72-43.3-175.6-176.90000111.9F707 I718 R719 H729 F731F707-V722 HydrophobicContact CZ-CG2 4.45Å; I718-V722 PolarHBondContact O-N 2.93Å; R719-V722 PolarHBondContact O-N 3.44Å; V722-H729 PolarHBondContact O-N 3.44Å; V722-F731 HydrophobicContact CG2-CE2 4.12Å
723N71.6Confident80.5Confident115 Ų11563.6 Ų63.662%0.61532%0.318SS*.BIsolated β-bridgetrans-105.669.9-175.8-63.7-11.4000110.6R719R719-N723 WeakPolarHBondContact O-CB 3.4Å; R719-N723 PolarHBondContact O-N 2.91Å
724R72.5Confident80.2Confident85 Ų8563.5 Ų63.532%0.32132%0.318SS..  trans-76.5151173.1-61167.762.6112.9-1.8110.3M721 D726 Y740M721-R724 WeakPolarHBondContact O-CG 3.15Å; R724-D726 VanDerWaalsContact C-N 3.26Å; R724-D726 WeakPolarHBondContact CB-OD1 3.37Å; R724-D726 IonicContact NE-OD1 3.18Å; R724-D726 PolarHBondContact NE-OD1 2.81Å; R724-D726 IonicContact NE-OD2 3.75Å; R724-D726 IonicContact NH2-OD2 2.72Å; R724-D726 PolarHBondContact NH2-OD2 3.45Å; R724-D726 PolarHBondContact O-N 3.47Å; R724-Y740 WeakPolarHBondContact CD-OH 3.26Å
725E66.6Low79.9Confident208 Ų20868.4 Ų68.497%0.97234%0.339SS*.SBendtrans-66.7-26.5179.5-65-179.1174.900113.2
726D75.6Confident80.1Confident108 Ų10871.6 Ų71.658%0.57835%0.351SS*.SBendtrans-79.8-56.7-178.256.6-11.2000112.2R724R724-D726 VanDerWaalsContact C-N 3.26Å; R724-D726 WeakPolarHBondContact CB-OD1 3.37Å; R724-D726 IonicContact NE-OD1 3.18Å; R724-D726 PolarHBondContact NE-OD1 2.81Å; R724-D726 IonicContact NE-OD2 3.75Å; R724-D726 IonicContact NH2-OD2 2.72Å; R724-D726 PolarHBondContact NH2-OD2 3.45Å; R724-D726 PolarHBondContact O-N 3.47Å
727E74.8Confident80.5Confident60 Ų6068.6 Ų68.628%0.2833%0.326SS..  trans-154.6141.6-173.7-115.9176.6-153.200111.7H729 S742 K744E727-H729 PolarHBondContact O-N 2.75Å; E727-H729 PolarHBondContact O-ND1 2.66Å; E727-S742 WeakPolarHBondContact OE2-CB 3.49Å; E727-S742 PolarHBondContact OE2-OG 3.26Å; E727-K744 WeakPolarHBondContact OE1-CD 3.24Å; E727-K744 WeakPolarHBondContact OE1-CE 3.39Å; E727-K744 IonicContact OE1-NZ 2.93Å; E727-K744 PolarHBondContact OE1-NZ 3.02Å
728T77.8Confident81Confident72 Ų7265.8 Ų65.844%0.44231%0.311SS..BIsolated β-bridgetrans-62.3128.4171.540.30000110.7S742 E743T728-S742 WeakPolarHBondContact O-CA 3.36Å; T728-E743 PolarHBondContact O-N 2.84Å; T728-E743 PolarHBondContact OG1-OE2 3.1Å
729H85.4Confident81.6Confident26 Ų2664.9 Ų64.912%0.1231%0.306CS..EExtended strand (participates in β ladder)trans-111.6145.8176.9-77.361000110.8V722 E727 Y740 L741 S742V722-H729 PolarHBondContact O-N 3.44Å; E727-H729 PolarHBondContact O-N 2.75Å; E727-H729 PolarHBondContact O-ND1 2.66Å; H729-Y740 HydrophobicContact CB-CD2 4.31Å; H729-Y740 HydrophobicContact CB-CE1 4.2Å; H729-Y740 HydrophobicContact CB-CE2 3.46Å; H729-Y740 VanDerWaalsContact CB-CE2 3.46Å; H729-Y740 WeakPolarHBondContact CB-OH 3.35Å; H729-Y740 AromaticContact CD2-CE1 3.48Å; H729-Y740 VanDerWaalsContact CD2-CE1 3.48Å; H729-Y740 WeakPolarHBondContact CD2-CE1 3.11Å; H729-Y740 AromaticContact CD2-CZ 3.56Å; H729-Y740 AromaticContact CG-CZ 3.68Å; H729-L741 CarbonylContact C-O 3.42Å; H729-L741 WeakPolarHBondContact CA-O 2.96Å; H729-L741 VanDerWaalsContact CD2-C 3.44Å; H729-S742 PolarHBondContact CD2-N 3.21Å
730V86.8Confident82.3Confident24 Ų2455.8 Ų55.815%0.14527%0.272CS..EExtended strand (participates in β ladder)trans-130.7152.6-174.3-63.70000110.8R732 L741 E743 A746V730-R732 HydrophobicContact CG2-CG 4.41Å; V730-L741 PolarHBondContact N-O 3.19Å; V730-L741 PolarHBondContact O-N 3.32Å; V730-E743 HydrophobicContact CG1-CB 4.18Å; V730-E743 HydrophobicContact CG1-CG 4.33Å; V730-A746 HydrophobicContact CG2-CB 3.96Å
731F90.7Very high82.9Confident18 Ų1851.8 Ų51.88%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-94.8139.4170.3-64.1-89.3000110.9L698 F707 L710 V722 V738 Y739 Y740 I764L698-F731 HydrophobicContact CD1-CB 3.33Å; L698-F731 HydrophobicContact CD1-CG 4.25Å; F707-F731 AromaticContact CE1-CD2 3.93Å; F707-F731 HydrophobicContact CE1-CD2 3.93Å; F707-F731 AromaticContact CE1-CE2 3.64Å; F707-F731 HydrophobicContact CE1-CE2 3.64Å; F707-F731 HydrophobicContact CE1-CZ 4.29Å; F707-F731 HydrophobicContact CZ-CD2 4.41Å; F707-F731 HydrophobicContact CZ-CE2 4.22Å; L710-F731 HydrophobicContact CD1-CE1 4.22Å; L710-F731 HydrophobicContact CD1-CZ 3.91Å; V722-F731 HydrophobicContact CG2-CE2 4.12Å; F731-V738 HydrophobicContact CB-CG1 4.25Å; F731-V738 HydrophobicContact CD1-CG1 3.94Å; F731-Y739 CarbonylContact C-O 3.58Å; F731-Y739 VanDerWaalsContact CA-O 3.22Å; F731-Y739 WeakPolarHBondContact CA-O 3.36Å; F731-Y740 HydrophobicContact CD1-CD2 4.06Å; F731-Y740 HydrophobicContact CD2-CD2 4.43Å; F731-Y740 AromaticContact CE1-CD2 3.69Å; F731-Y740 HydrophobicContact CE1-CD2 3.69Å; F731-Y740 HydrophobicContact CE1-CG 4.27Å; F731-Y740 HydrophobicContact CE2-CD2 4.07Å; F731-Y740 HydrophobicContact CE2-CE2 4.36Å; F731-Y740 HydrophobicContact CG-CD2 4.43Å; F731-Y740 AromaticContact CZ-CD2 3.68Å; F731-Y740 HydrophobicContact CZ-CD2 3.68Å; F731-Y740 HydrophobicContact CZ-CE2 4.16Å; F731-I764 HydrophobicContact CE1-CB 4.48Å; F731-I764 HydrophobicContact CE1-CG1 4.08Å; F731-I764 HydrophobicContact CE1-CG2 4.37Å
732R88.7Confident83.4Confident45 Ų4552 Ų5217%0.1725%0.253CS..EExtended strand (participates in β ladder)trans-135.1141.5178.6-65.9-65.3-179.3-99.81.6111M695 R696 V730 V738 Y739 L741 A746M695-R732 HydrophobicContact CB-CB 3.83Å; M695-R732 HydrophobicContact CB-CG 4.45Å; M695-R732 WeakPolarHBondContact O-CD 3.26Å; M695-R732 HydrophobicContact SD-CB 4.39Å; R696-R732 CarbonylContact O-C 3.58Å; R696-R732 WeakPolarHBondContact O-CA 3.48Å; V730-R732 HydrophobicContact CG2-CG 4.41Å; R732-V738 CarbonylContact O-C 3.52Å; R732-V738 WeakPolarHBondContact O-CA 3.46Å; R732-Y739 PolarHBondContact N-O 3.23Å; R732-Y739 PolarHBondContact O-N 3.01Å; R732-L741 HydrophobicContact CB-CD2 4.2Å; R732-L741 HydrophobicContact CG-CD2 4Å; R732-A746 HydrophobicContact CG-CB 4.47Å
733F87.8Confident83.7Confident21 Ų2154.2 Ų54.29%0.09226%0.26CS..EExtended strand (participates in β ladder)trans-101.2131.2178.9179.3-79.3000110.3R696 L698 D736 R737 V738 F767R696-F733 HydrophobicContact CG-CB 4.16Å; R696-F733 HydrophobicContact CG-CD1 4.17Å; R696-F733 VanDerWaalsContact CZ-CD1 3.42Å; R696-F733 PolarHBondContact N-O 3.15Å; R696-F733 VanDerWaalsContact N-O 3.15Å; R696-F733 VanDerWaalsContact NH2-CD1 3.29Å; R696-F733 VanDerWaalsContact NH2-CE1 3.35Å; R696-F733 PolarHBondContact O-N 3.38Å; L698-F733 HydrophobicContact CD2-CB 4.38Å; L698-F733 HydrophobicContact CD2-CD2 4.49Å; F733-D736 VanDerWaalsContact CZ-CA 3.43Å; F733-D736 HydrophobicContact CZ-CB 4.45Å; F733-R737 WeakPolarHBondContact CA-O 3.03Å; F733-V738 HydrophobicContact CD2-CG2 4.42Å; F733-F767 HydrophobicContact CD2-CD2 4.11Å; F733-F767 HydrophobicContact CD2-CE2 4.4Å; F733-F767 AromaticContact CE2-CD2 3.81Å; F733-F767 HydrophobicContact CE2-CD2 3.81Å; F733-F767 HydrophobicContact CE2-CE2 4.47Å; F733-F767 HydrophobicContact CE2-CG 4.48Å
734H85.4Confident84.2Confident1 Ų155.4 Ų55.41%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-150.8125.2174.3-172.858.5000110.7V694 M695 D736 R737 Y739 F754 T757V694-H734 PolarHBondContact O-ND1 2.71Å; M695-H734 HydrophobicContact CB-CB 4.26Å; M695-H734 HydrophobicContact CE-CB 3.93Å; M695-H734 HydrophobicContact CG-CB 3.73Å; M695-H734 HydrophobicContact SD-CB 3.84Å; H734-D736 PolarHBondContact O-N 3.18Å; H734-R737 PolarHBondContact N-O 2.85Å; H734-R737 WeakPolarHBondContact O-CB 3.24Å; H734-R737 PolarHBondContact O-N 3.15Å; H734-Y739 HydrophobicContact CB-CD2 4.17Å; H734-Y739 HydrophobicContact CB-CE2 3.84Å; H734-F754 AromaticContact CE1-CD2 3.65Å; H734-F754 AromaticContact CE1-CE2 3.52Å; H734-F754 AromaticContact CE1-CZ 3.96Å; H734-F754 PolarHBondContact CE1-O 3.21Å; H734-F754 AromaticContact ND1-CD2 3.76Å; H734-F754 AromaticContact ND1-CE2 3.34Å; H734-F754 VanDerWaalsContact ND1-CE2 3.34Å; H734-F754 WeakPolarHBondContact ND1-CE2 3.42Å; H734-F754 AromaticContact ND1-CZ 3.99Å; H734-T757 PolarHBondContact NE2-O 3.28Å
735K83.6Confident84.6Confident105 Ų10557.4 Ų57.446%0.45727%0.271SS..THydrogen-bonded Turntrans45.355.1178.3-61.4176.3-179.1169.20112.9R737 F754K735-R737 PolarHBondContact O-N 3.39Å; K735-F754 HydrophobicContact CG-CZ 4.25Å
736D87.9Confident85.2Confident89 Ų8948.3 Ų48.348%0.47623%0.232SC..THydrogen-bonded Turntrans64.91.1-178.8-51.7-34.1000115.8F733 H734 K766 F767F733-D736 VanDerWaalsContact CZ-CA 3.43Å; F733-D736 HydrophobicContact CZ-CB 4.45Å; H734-D736 PolarHBondContact O-N 3.18Å; D736-K766 CarbonylContact O-C 3.49Å; D736-K766 VanDerWaalsContact O-CA 3.23Å; D736-K766 WeakPolarHBondContact O-CA 2.99Å; D736-F767 PolarHBondContact O-N 2.94Å
737R90Very high85Confident55 Ų5547.8 Ų47.821%0.20823%0.232CC..EExtended strand (participates in β ladder)trans-102.3147.5176.7-65.6179.1176.8-165.2-0.8110.7F733 H734 K735 Y739 G765 K766 H872 C874F733-R737 WeakPolarHBondContact CA-O 3.03Å; H734-R737 PolarHBondContact N-O 2.85Å; H734-R737 WeakPolarHBondContact O-CB 3.24Å; H734-R737 PolarHBondContact O-N 3.15Å; K735-R737 PolarHBondContact O-N 3.39Å; R737-Y739 HydrophobicContact CB-CD2 4.4Å; R737-Y739 HydrophobicContact CB-CE2 3.54Å; R737-Y739 WeakPolarHBondContact CD-OH 3.32Å; R737-G765 WeakPolarHBondContact CA-O 3.49Å; R737-K766 HydrophobicContact CG-CB 4.26Å; R737-H872 PolarHBondContact NH2-O 2.9Å; R737-C874 PolarHBondContact NH1-O 3.06Å; R737-C874 PolarHBondContact NH1-OXT 3.02Å; R737-C874 PolarHBondContact NH2-OXT 2.98Å
738V92.5Very high84.9Confident0 Ų047.8 Ų47.80%024%0.243CC..EExtended strand (participates in β ladder)trans-110.9118.6177.8-177.50000108.7L698 V706 F731 R732 F733 I764 G765 F767 F773L698-V738 HydrophobicContact CD1-CG1 4.07Å; L698-V738 HydrophobicContact CD2-CG1 4.14Å; L698-V738 HydrophobicContact CD2-CG2 3.79Å; V706-V738 HydrophobicContact CG2-CG1 4.33Å; V706-V738 HydrophobicContact CG2-CG2 4.08Å; F731-V738 HydrophobicContact CB-CG1 4.25Å; F731-V738 HydrophobicContact CD1-CG1 3.94Å; R732-V738 CarbonylContact O-C 3.52Å; R732-V738 WeakPolarHBondContact O-CA 3.46Å; F733-V738 HydrophobicContact CD2-CG2 4.42Å; V738-I764 PolarHBondContact O-N 3.15Å; V738-G765 PolarHBondContact N-O 3.28Å; V738-F767 HydrophobicContact CG2-CD2 3.86Å; V738-F767 HydrophobicContact CG2-CE2 3.6Å; V738-F773 HydrophobicContact CB-CE2 3.84Å; V738-F773 HydrophobicContact CB-CZ 4.3Å; V738-F773 HydrophobicContact CG2-CD2 4.14Å; V738-F773 HydrophobicContact CG2-CE2 3.51Å; V738-F773 HydrophobicContact CG2-CZ 4.37Å
739Y91.6Very high84.6Confident4 Ų444.7 Ų44.72%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-103.7145-178.4-64.2-90.9000110.9M695 F731 R732 H734 R737 N759 L760 S762 C763M695-Y739 HydrophobicContact CE-CD2 4.23Å; M695-Y739 HydrophobicContact CE-CE2 4.28Å; M695-Y739 HydrophobicContact SD-CD2 3.91Å; M695-Y739 HydrophobicContact SD-CE2 4.47Å; M695-Y739 HydrophobicContact SD-CG 4.23Å; F731-Y739 CarbonylContact C-O 3.58Å; F731-Y739 VanDerWaalsContact CA-O 3.22Å; F731-Y739 WeakPolarHBondContact CA-O 3.36Å; R732-Y739 PolarHBondContact N-O 3.23Å; R732-Y739 PolarHBondContact O-N 3.01Å; H734-Y739 HydrophobicContact CB-CD2 4.17Å; H734-Y739 HydrophobicContact CB-CE2 3.84Å; R737-Y739 HydrophobicContact CB-CD2 4.4Å; R737-Y739 HydrophobicContact CB-CE2 3.54Å; R737-Y739 WeakPolarHBondContact CD-OH 3.32Å; Y739-N759 HydrophobicContact CE1-CB 4.34Å; Y739-N759 WeakPolarHBondContact CE1-OD1 3.34Å; Y739-N759 PolarHBondContact OH-OD1 2.7Å; Y739-L760 WeakPolarHBondContact CB-O 3.33Å; Y739-L760 VanDerWaalsContact CD1-O 3.3Å; Y739-L760 WeakPolarHBondContact CD1-O 3.36Å; Y739-S762 CarbonylContact C-O 3.53Å; Y739-S762 WeakPolarHBondContact CA-O 3.23Å; Y739-C763 HydrophobicContact CD1-CB 4.32Å; Y739-C763 HydrophobicContact CE1-CB 4.11Å
740Y91.5Very high83.7Confident3 Ų346.4 Ų46.41%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-119.4124.2174.4176.4-98.8000109.3M721 R724 H729 F731 S762 I764 Y782M721-Y740 HydrophobicContact CE-CE2 4.33Å; M721-Y740 PolarHBondContact O-OH 3.19Å; R724-Y740 WeakPolarHBondContact CD-OH 3.26Å; H729-Y740 HydrophobicContact CB-CD2 4.31Å; H729-Y740 HydrophobicContact CB-CE1 4.2Å; H729-Y740 HydrophobicContact CB-CE2 3.46Å; H729-Y740 VanDerWaalsContact CB-CE2 3.46Å; H729-Y740 WeakPolarHBondContact CB-OH 3.35Å; H729-Y740 AromaticContact CD2-CE1 3.48Å; H729-Y740 VanDerWaalsContact CD2-CE1 3.48Å; H729-Y740 WeakPolarHBondContact CD2-CE1 3.11Å; H729-Y740 AromaticContact CD2-CZ 3.56Å; H729-Y740 AromaticContact CG-CZ 3.68Å; F731-Y740 HydrophobicContact CD1-CD2 4.06Å; F731-Y740 HydrophobicContact CD2-CD2 4.43Å; F731-Y740 AromaticContact CE1-CD2 3.69Å; F731-Y740 HydrophobicContact CE1-CD2 3.69Å; F731-Y740 HydrophobicContact CE1-CG 4.27Å; F731-Y740 HydrophobicContact CE2-CD2 4.07Å; F731-Y740 HydrophobicContact CE2-CE2 4.36Å; F731-Y740 HydrophobicContact CG-CD2 4.43Å; F731-Y740 AromaticContact CZ-CD2 3.68Å; F731-Y740 HydrophobicContact CZ-CD2 3.68Å; F731-Y740 HydrophobicContact CZ-CE2 4.16Å; Y740-S762 PolarHBondContact N-O 3.2Å; Y740-S762 PolarHBondContact O-N 2.94Å; Y740-I764 HydrophobicContact CD1-CD1 4.49Å; Y740-I764 HydrophobicContact CG-CD1 4.31Å; Y740-I764 HydrophobicContact CG-CG1 4.19Å; Y740-Y782 HydrophobicContact CD1-CD1 4.01Å; Y740-Y782 HydrophobicContact CD1-CE1 4.14Å; Y740-Y782 HydrophobicContact CD1-CG 4.38Å; Y740-Y782 AromaticContact CE1-CD1 3.74Å; Y740-Y782 HydrophobicContact CE1-CD1 3.74Å; Y740-Y782 AromaticContact CE1-CE1 3.99Å; Y740-Y782 HydrophobicContact CE1-CE1 3.99Å; Y740-Y782 HydrophobicContact CE1-CG 4.44Å
741L89.3Confident82.8Confident6 Ų650.1 Ų50.13%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-157.6163.3-173.361.3161.3000111.1H729 V730 R732 K745 A746 L760H729-L741 CarbonylContact C-O 3.42Å; H729-L741 WeakPolarHBondContact CA-O 2.96Å; H729-L741 VanDerWaalsContact CD2-C 3.44Å; V730-L741 PolarHBondContact N-O 3.19Å; V730-L741 PolarHBondContact O-N 3.32Å; R732-L741 HydrophobicContact CB-CD2 4.2Å; R732-L741 HydrophobicContact CG-CD2 4Å; L741-K745 HydrophobicContact CD1-CB 3.91Å; L741-A746 HydrophobicContact CD1-CB 3.8Å; L741-A746 HydrophobicContact CG-CB 4.26Å; L741-L760 HydrophobicContact CD1-CD2 3.33Å; L741-L760 HydrophobicContact CD1-CG 3.81Å
742S86.9Confident81.6Confident7 Ų755.5 Ų55.55%0.04929%0.289CS..EExtended strand (participates in β ladder)trans-66.9147172.176.20000111.5E727 T728 H729 K744 K745 A746E727-S742 WeakPolarHBondContact OE2-CB 3.49Å; E727-S742 PolarHBondContact OE2-OG 3.26Å; T728-S742 WeakPolarHBondContact O-CA 3.36Å; H729-S742 PolarHBondContact CD2-N 3.21Å; S742-K744 PolarHBondContact O-N 2.96Å; S742-K745 PolarHBondContact O-N 2.93Å; S742-A746 PolarHBondContact O-N 3.32Å; S742-A746 VanDerWaalsContact O-N 3.14Å
743E81.3Confident80.5Confident86 Ų8655 Ų5540%0.40230%0.298SS..Hα-helixtrans-57.6-36.6-179.3-173169.5-160.400111.8T728 V730 K745 A746 V747T728-E743 PolarHBondContact O-N 2.84Å; T728-E743 PolarHBondContact OG1-OE2 3.1Å; V730-E743 HydrophobicContact CG1-CB 4.18Å; V730-E743 HydrophobicContact CG1-CG 4.33Å; E743-K745 PolarHBondContact O-N 3.02Å; E743-A746 WeakPolarHBondContact O-CB 3.46Å; E743-A746 PolarHBondContact O-N 3.4Å; E743-V747 WeakPolarHBondContact O-CG2 3.11Å; E743-V747 PolarHBondContact O-N 3.06Å
744K80.6Confident79.5Confident140 Ų14059.5 Ų59.561%0.60932%0.318SS*.Hα-helixtrans-59.2-43.1175.1-65.8-171.2-169.8158.60112.8E727 S742 V747 A748E727-K744 WeakPolarHBondContact OE1-CD 3.24Å; E727-K744 WeakPolarHBondContact OE1-CE 3.39Å; E727-K744 IonicContact OE1-NZ 2.93Å; E727-K744 PolarHBondContact OE1-NZ 3.02Å; S742-K744 PolarHBondContact O-N 2.96Å; K744-V747 PolarHBondContact O-N 3.5Å; K744-A748 WeakPolarHBondContact O-CB 3.46Å; K744-A748 PolarHBondContact O-N 3.27Å
745K81.7Confident78.8Confident128 Ų12867.7 Ų67.756%0.55735%0.354SS*.Hα-helixtrans-67.1-38.2176.8-72.9-178.4-178.9177.90111.4L741 S742 E743 V747 A748 A749L741-K745 HydrophobicContact CD1-CB 3.91Å; S742-K745 PolarHBondContact O-N 2.93Å; E743-K745 PolarHBondContact O-N 3.02Å; K745-V747 VanDerWaalsContact C-N 3.33Å; K745-V747 PolarHBondContact O-N 2.72Å; K745-A748 PolarHBondContact O-N 2.8Å; K745-A749 WeakPolarHBondContact O-CB 3.35Å; K745-A749 PolarHBondContact O-N 2.88Å
746A79.1Confident78.3Confident17 Ų1769 Ų6914%0.1436%0.361CS..Hα-helixtrans-64.1-39176.900000111.9V730 R732 L741 S742 E743V730-A746 HydrophobicContact CG2-CB 3.96Å; R732-A746 HydrophobicContact CG-CB 4.47Å; L741-A746 HydrophobicContact CD1-CB 3.8Å; L741-A746 HydrophobicContact CG-CB 4.26Å; S742-A746 PolarHBondContact O-N 3.32Å; S742-A746 VanDerWaalsContact O-N 3.14Å; E743-A746 WeakPolarHBondContact O-CB 3.46Å; E743-A746 PolarHBondContact O-N 3.4Å
747V71.8Confident77.5Confident96 Ų9665.3 Ų65.358%0.58234%0.342SS*.Hα-helixtrans-68.6-46.2174.8174.20000111E743 K744 K745 A749 S750E743-V747 WeakPolarHBondContact O-CG2 3.11Å; E743-V747 PolarHBondContact O-N 3.06Å; K744-V747 PolarHBondContact O-N 3.5Å; K745-V747 VanDerWaalsContact C-N 3.33Å; K745-V747 PolarHBondContact O-N 2.72Å; V747-A749 PolarHBondContact O-N 2.8Å; V747-S750 WeakPolarHBondContact O-CB 3.3Å; V747-S750 PolarHBondContact O-N 3.31Å; V747-S750 VanDerWaalsContact O-N 3.13Å; V747-S750 PolarHBondContact O-OG 2.98Å
748A71.9Confident76.8Confident61 Ų6167.7 Ų67.750%0.50436%0.362SS..Hα-helixtrans-60-35.1178.800000112.6K744 K745 S750 S751K744-A748 WeakPolarHBondContact O-CB 3.46Å; K744-A748 PolarHBondContact O-N 3.27Å; K745-A748 PolarHBondContact O-N 2.8Å; A748-S750 PolarHBondContact O-N 2.88Å; A748-S751 PolarHBondContact O-N 3.4Å; A748-S751 PolarHBondContact O-OG 3.34Å; A748-S751 VanDerWaalsContact O-OG 3.07Å
749A71.5Confident76.1Confident6 Ų671.4 Ų71.45%0.0538%0.382CS..G310 helixtrans-68.4-12.7179.700000114.7V694 K745 V747 S751 F752 L760V694-A749 WeakPolarHBondContact CG2-O 3.21Å; K745-A749 WeakPolarHBondContact O-CB 3.35Å; K745-A749 PolarHBondContact O-N 2.88Å; V747-A749 PolarHBondContact O-N 2.8Å; A749-S751 PolarHBondContact O-N 3.49Å; A749-F752 PolarHBondContact O-N 3.31Å; A749-L760 HydrophobicContact CB-CD1 3.75Å; A749-L760 HydrophobicContact CB-CD2 3.21Å; A749-L760 HydrophobicContact CB-CG 4.11Å
750S66.9Low75.5Confident63 Ų6373.2 Ų73.244%0.44139%0.392SS..G310 helixtrans-61.8-14.6173.869.60000113.1V747 A748 F752V747-S750 WeakPolarHBondContact O-CB 3.3Å; V747-S750 PolarHBondContact O-N 3.31Å; V747-S750 VanDerWaalsContact O-N 3.13Å; V747-S750 PolarHBondContact O-OG 2.98Å; A748-S750 PolarHBondContact O-N 2.88Å; S750-F752 VanDerWaalsContact C-N 3.29Å; S750-F752 PolarHBondContact O-N 3.36Å
751S67.5Low75.2Confident101 Ų10175.1 Ų75.171%0.70641%0.413SS*.G310 helixtrans-76.8-8178.2-47.80000114.3A748 A749A748-S751 PolarHBondContact O-N 3.4Å; A748-S751 PolarHBondContact O-OG 3.34Å; A748-S751 VanDerWaalsContact O-OG 3.07Å; A749-S751 PolarHBondContact O-N 3.49Å
752F65.8Low75.2Confident131 Ų13176.3 Ų76.358%0.57542%0.422SS*.SBendtrans-111.4147.2-177.3-61.7-85.4000110.9V694 A749 S750 T757V694-F752 VanDerWaalsContact CG1-O 3.28Å; V694-F752 WeakPolarHBondContact CG1-O 3.39Å; V694-F752 WeakPolarHBondContact CG2-O 3.35Å; A749-F752 PolarHBondContact O-N 3.31Å; S750-F752 VanDerWaalsContact C-N 3.29Å; S750-F752 PolarHBondContact O-N 3.36Å; F752-T757 WeakPolarHBondContact CB-OG1 3.34Å
753G66.2Low75.4Confident34 Ų3476.7 Ų76.735%0.35142%0.424SS..  trans-74160.3177.400000113.6K755 E756 T757G753-K755 PolarHBondContact O-N 2.88Å; G753-E756 WeakPolarHBondContact CA-OE2 3.21Å; G753-E756 PolarHBondContact O-N 3.19Å; G753-T757 PolarHBondContact O-N 3.38Å; G753-T757 VanDerWaalsContact O-N 3.09Å; G753-T757 PolarHBondContact O-OG1 3.42Å
754F67.7Low75.9Confident116 Ų11672.6 Ų72.651%0.50941%0.405SS..THydrogen-bonded Turntrans-59.2-33180177.9-91.5000113V694 H734 K735V694-F754 VanDerWaalsContact O-CD2 3.32Å; V694-F754 WeakPolarHBondContact O-CD2 3.31Å; H734-F754 AromaticContact CE1-CD2 3.65Å; H734-F754 AromaticContact CE1-CE2 3.52Å; H734-F754 AromaticContact CE1-CZ 3.96Å; H734-F754 PolarHBondContact CE1-O 3.21Å; H734-F754 AromaticContact ND1-CD2 3.76Å; H734-F754 AromaticContact ND1-CE2 3.34Å; H734-F754 VanDerWaalsContact ND1-CE2 3.34Å; H734-F754 WeakPolarHBondContact ND1-CE2 3.42Å; H734-F754 AromaticContact ND1-CZ 3.99Å; K735-F754 HydrophobicContact CG-CZ 4.25Å
755K69.8Low76.4Confident173 Ų17366 Ų6675%0.75238%0.376SS*.THydrogen-bonded Turntrans-79.1-37.3-178.1-71.1-173.9178.7-178.70111.8G753G753-K755 PolarHBondContact O-N 2.88Å
756E73.5Confident76.9Confident133 Ų13363.2 Ų63.262%0.62136%0.364SS*.THydrogen-bonded Turntrans-76.2-26.6-175.9-61.571.9-159.300111.6G753 V758G753-E756 WeakPolarHBondContact CA-OE2 3.21Å; G753-E756 PolarHBondContact O-N 3.19Å; E756-V758 PolarHBondContact O-N 2.88Å
757T71.7Confident77.5Confident11 Ų1163 Ų637%0.06736%0.36CS..  trans-79.3114178.6-54.50000110.7V694 M695 H734 F752 G753V694-T757 HydrophobicContact CG1-CG2 4.05Å; V694-T757 WeakPolarHBondContact CG1-OG1 3.3Å; M695-T757 HydrophobicContact CE-CG2 3.62Å; H734-T757 PolarHBondContact NE2-O 3.28Å; F752-T757 WeakPolarHBondContact CB-OG1 3.34Å; G753-T757 PolarHBondContact O-N 3.38Å; G753-T757 VanDerWaalsContact O-N 3.09Å; G753-T757 PolarHBondContact O-OG1 3.42Å
758V74.7Confident78.2Confident105 Ų10560.5 Ų60.564%0.63635%0.345SS*.  trans-94.7-58.5-179.1-176.70000111.2E756E756-V758 PolarHBondContact O-N 2.88Å
759N77.6Confident78.6Confident79 Ų7967.6 Ų67.642%0.42236%0.364SS..  trans-140.5143.8178.2-92.5-22.4000109.6Y739 C874Y739-N759 HydrophobicContact CE1-CB 4.34Å; Y739-N759 WeakPolarHBondContact CE1-OD1 3.34Å; Y739-N759 PolarHBondContact OH-OD1 2.7Å; N759-C874 PolarHBondContact ND2-O 3.04Å
760L78.1Confident79Confident42 Ų4272.3 Ų72.322%0.2239%0.393CS..  trans-147.3112.7175.9-171.387.3000110.3M695 Y739 L741 A749M695-L760 HydrophobicContact CE-CB 3.35Å; M695-L760 HydrophobicContact SD-CB 3.9Å; M695-L760 HydrophobicContact SD-CD2 4.25Å; Y739-L760 WeakPolarHBondContact CB-O 3.33Å; Y739-L760 VanDerWaalsContact CD1-O 3.3Å; Y739-L760 WeakPolarHBondContact CD1-O 3.36Å; L741-L760 HydrophobicContact CD1-CD2 3.33Å; L741-L760 HydrophobicContact CD1-CG 3.81Å; A749-L760 HydrophobicContact CB-CD1 3.75Å; A749-L760 HydrophobicContact CB-CD2 3.21Å; A749-L760 HydrophobicContact CB-CG 4.11Å
761G86.6Confident79.7Confident43 Ų4374.4 Ų74.444%0.44340%0.399SS..SBendtrans80.2-157.7-172.800000112.8
762S88.8Confident80.5Confident31 Ų3176.1 Ų76.122%0.21739%0.394CS..EExtended strand (participates in β ladder)trans-102.3122.6-175.3-62.60000110.2Y739 Y740 I764 Y782Y739-S762 CarbonylContact C-O 3.53Å; Y739-S762 WeakPolarHBondContact CA-O 3.23Å; Y740-S762 PolarHBondContact N-O 3.2Å; Y740-S762 PolarHBondContact O-N 2.94Å; S762-I764 PolarHBondContact O-N 2.93Å; S762-Y782 VanDerWaalsContact OG-CE2 3.24Å; S762-Y782 WeakPolarHBondContact OG-CE2 3.38Å; S762-Y782 PolarHBondContact OG-OH 3.43Å
763C90.6Very high81.8Confident15 Ų1570.6 Ų70.610%0.10137%0.369CS..EExtended strand (participates in β ladder)trans-64.3121.8173.3-173.60000108.9Y739 T776 T778Y739-C763 HydrophobicContact CD1-CB 4.32Å; Y739-C763 HydrophobicContact CE1-CB 4.11Å; C763-T776 PolarHBondContact O-OG1 3.31Å; C763-T778 VanDerWaalsContact O-CB 3.28Å; C763-T778 WeakPolarHBondContact O-CB 3.11Å; C763-T778 PolarHBondContact O-OG1 3.14Å
764I91.8Very high82.8Confident0 Ų073.1 Ų73.10%037%0.371CS..EExtended strand (participates in β ladder)trans-93.4-27.2175.8-63.2-57.7000111L710 F731 V738 Y740 S762 F773 L775 T776 A779 Y782L710-I764 HydrophobicContact CD2-CG2 4.12Å; F731-I764 HydrophobicContact CE1-CB 4.48Å; F731-I764 HydrophobicContact CE1-CG1 4.08Å; F731-I764 HydrophobicContact CE1-CG2 4.37Å; V738-I764 PolarHBondContact O-N 3.15Å; Y740-I764 HydrophobicContact CD1-CD1 4.49Å; Y740-I764 HydrophobicContact CG-CD1 4.31Å; Y740-I764 HydrophobicContact CG-CG1 4.19Å; S762-I764 PolarHBondContact O-N 2.93Å; I764-F773 HydrophobicContact CG2-CZ 4.46Å; I764-L775 HydrophobicContact CG2-CD2 3.8Å; I764-L775 WeakPolarHBondContact O-CA 3.5Å; I764-L775 WeakPolarHBondContact O-CD2 3.47Å; I764-T776 PolarHBondContact O-N 3.44Å; I764-T776 VanDerWaalsContact O-N 3.15Å; I764-T776 PolarHBondContact O-OG1 2.81Å; I764-A779 HydrophobicContact CB-CB 4.44Å; I764-A779 HydrophobicContact CD1-CB 3.94Å; I764-A779 HydrophobicContact CG2-CB 4.1Å; I764-Y782 HydrophobicContact CD1-CD2 4.26Å
765G91.7Very high83.9Confident0 Ų068.5 Ų68.50%035%0.352CS..EExtended strand (participates in β ladder)trans178.1-175.7179.200000113.5R737 V738 F773 F774 T776R737-G765 WeakPolarHBondContact CA-O 3.49Å; V738-G765 PolarHBondContact N-O 3.28Å; G765-F773 VanDerWaalsContact C-CE2 3.5Å; G765-F774 CarbonylContact C-O 3.46Å; G765-F774 WeakPolarHBondContact CA-O 3.4Å; G765-T776 PolarHBondContact N-OG1 3.47Å
766K91.5Very high84.8Confident71 Ų7161.4 Ų61.431%0.30932%0.323SS..EExtended strand (participates in β ladder)trans-136.9146.6178.865.6-176.8179.7-174.70112.3D736 R737 F773 F774D736-K766 CarbonylContact O-C 3.49Å; D736-K766 VanDerWaalsContact O-CA 3.23Å; D736-K766 WeakPolarHBondContact O-CA 2.99Å; R737-K766 HydrophobicContact CG-CB 4.26Å; K766-F773 WeakPolarHBondContact O-CA 3.49Å; K766-F774 PolarHBondContact N-O 3.38Å; K766-F774 PolarHBondContact O-N 3.14Å
767F91.3Very high85.7Confident12 Ų1255.2 Ų55.25%0.05329%0.294CS..EExtended strand (participates in β ladder)trans-83.6145.3165.6-76.4-85.2000110.1L698 E702 A705 V706 F733 D736 V738 K772 F773L698-F767 HydrophobicContact CD2-CE2 4.02Å; E702-F767 HydrophobicContact CB-CE2 4.05Å; E702-F767 HydrophobicContact CB-CZ 3.67Å; E702-F767 HydrophobicContact CG-CE1 4.29Å; E702-F767 HydrophobicContact CG-CE2 4.09Å; E702-F767 HydrophobicContact CG-CZ 3.8Å; A705-F767 HydrophobicContact CB-CE1 3.84Å; A705-F767 HydrophobicContact CB-CZ 4.07Å; V706-F767 HydrophobicContact CG2-CE2 3.95Å; V706-F767 HydrophobicContact CG2-CZ 3.88Å; F733-F767 HydrophobicContact CD2-CD2 4.11Å; F733-F767 HydrophobicContact CD2-CE2 4.4Å; F733-F767 AromaticContact CE2-CD2 3.81Å; F733-F767 HydrophobicContact CE2-CD2 3.81Å; F733-F767 HydrophobicContact CE2-CE2 4.47Å; F733-F767 HydrophobicContact CE2-CG 4.48Å; D736-F767 PolarHBondContact O-N 2.94Å; V738-F767 HydrophobicContact CG2-CD2 3.86Å; V738-F767 HydrophobicContact CG2-CE2 3.6Å; F767-K772 WeakPolarHBondContact CA-O 3.24Å; F767-F773 HydrophobicContact CD1-CB 4.07Å; F767-F773 HydrophobicContact CD1-CD2 4.46Å; F767-F773 AromaticContact CD2-CD2 3.87Å; F767-F773 HydrophobicContact CD2-CD2 3.87Å; F767-F773 HydrophobicContact CE1-CB 3.75Å; F767-F773 HydrophobicContact CE1-CD2 4.32Å; F767-F773 HydrophobicContact CE1-CG 4.43Å; F767-F773 AromaticContact CE2-CD2 3.71Å; F767-F773 HydrophobicContact CE2-CD2 3.71Å; F767-F773 HydrophobicContact CE2-CE2 4.35Å; F767-F773 HydrophobicContact CE2-CG 4.47Å; F767-F773 HydrophobicContact CG-CD2 4.26Å; F767-F773 HydrophobicContact CZ-CB 4.04Å; F767-F773 AromaticContact CZ-CD2 3.94Å; F767-F773 HydrophobicContact CZ-CD2 3.94Å; F767-F773 HydrophobicContact CZ-CG 4.26Å
768T86.7Confident86.5Confident44 Ų4456 Ų5627%0.2730%0.299SS..  trans-89.6167168.349.10000110.1T770 N771 K772 F774T768-T770 PolarHBondContact O-N 3.07Å; T768-T770 PolarHBondContact OG1-OG1 3.08Å; T768-N771 WeakPolarHBondContact O-CA 3.45Å; T768-N771 PolarHBondContact O-N 3.07Å; T768-K772 PolarHBondContact N-O 3.21Å; T768-K772 WeakPolarHBondContact OG1-CB 3.41Å; T768-K772 PolarHBondContact OG1-N 2.95Å; T768-K772 VanDerWaalsContact OG1-N 3.08Å; T768-K772 PolarHBondContact OG1-O 2.82Å; T768-F774 HydrophobicContact CG2-CD2 3.71Å; T768-F774 HydrophobicContact CG2-CE2 3.4Å; T768-F774 VanDerWaalsContact CG2-CE2 3.4Å; T768-F774 HydrophobicContact CG2-CZ 4.48Å
769K80.2Confident87.3Confident209 Ų20951 Ų5191%0.90927%0.269SS*.THydrogen-bonded Turntrans-56.8-17.7173.3-64.8-174.1177.7-179.40114.1
770T81Confident88.1Confident105 Ų10547.8 Ų47.864%0.64425%0.251SS*.THydrogen-bonded Turntrans-100.421.7174.765.70000112.8T768 K772T768-T770 PolarHBondContact O-N 3.07Å; T768-T770 PolarHBondContact OG1-OG1 3.08Å; T770-K772 PolarHBondContact O-N 3.4Å; T770-K772 VanDerWaalsContact O-N 3.09Å
771N80.2Confident88.6Confident107 Ų10749.8 Ų49.857%0.57227%0.268SS*.SBendtrans55.524.3-179.7-72.3-7.1000116.2T768T768-N771 WeakPolarHBondContact O-CA 3.45Å; T768-N771 PolarHBondContact O-N 3.07Å
772K85.3Confident88.7Confident137 Ų13750.9 Ų50.960%0.59626%0.26SS*.  trans-87.3129.7169.3-67.5-177.9179.4176.10110.1F767 T768 T770 F774F767-K772 WeakPolarHBondContact CA-O 3.24Å; T768-K772 PolarHBondContact N-O 3.21Å; T768-K772 WeakPolarHBondContact OG1-CB 3.41Å; T768-K772 PolarHBondContact OG1-N 2.95Å; T768-K772 VanDerWaalsContact OG1-N 3.08Å; T768-K772 PolarHBondContact OG1-O 2.82Å; T770-K772 PolarHBondContact O-N 3.4Å; T770-K772 VanDerWaalsContact O-N 3.09Å; K772-F774 HydrophobicContact CB-CE2 3.77Å; K772-F774 HydrophobicContact CB-CZ 4.38Å; K772-F774 WeakPolarHBondContact O-CD2 3.48Å
773F92.3Very high88.8Confident15 Ų1549.4 Ų49.47%0.06625%0.249CC..EExtended strand (participates in β ladder)trans-91.1132.1179.1-175.6-108000112.7A705 V706 K709 V738 I764 G765 K766 F767 L775A705-F773 HydrophobicContact CB-CB 4.38Å; V706-F773 HydrophobicContact CB-CD1 4.33Å; V706-F773 HydrophobicContact CB-CE1 4.18Å; V706-F773 HydrophobicContact CB-CZ 4.41Å; V706-F773 HydrophobicContact CG1-CE1 3.97Å; V706-F773 HydrophobicContact CG1-CZ 4.07Å; V706-F773 HydrophobicContact CG2-CD1 4.05Å; V706-F773 HydrophobicContact CG2-CD2 3.83Å; V706-F773 HydrophobicContact CG2-CE1 3.99Å; V706-F773 HydrophobicContact CG2-CE2 3.78Å; V706-F773 HydrophobicContact CG2-CG 3.97Å; V706-F773 HydrophobicContact CG2-CZ 3.85Å; K709-F773 HydrophobicContact CB-CD1 3.76Å; K709-F773 HydrophobicContact CB-CE1 4.31Å; K709-F773 HydrophobicContact CG-CD1 4Å; K709-F773 HydrophobicContact CG-CE1 4.43Å; V738-F773 HydrophobicContact CB-CE2 3.84Å; V738-F773 HydrophobicContact CB-CZ 4.3Å; V738-F773 HydrophobicContact CG2-CD2 4.14Å; V738-F773 HydrophobicContact CG2-CE2 3.51Å; V738-F773 HydrophobicContact CG2-CZ 4.37Å; I764-F773 HydrophobicContact CG2-CZ 4.46Å; G765-F773 VanDerWaalsContact C-CE2 3.5Å; K766-F773 WeakPolarHBondContact O-CA 3.49Å; F767-F773 HydrophobicContact CD1-CB 4.07Å; F767-F773 HydrophobicContact CD1-CD2 4.46Å; F767-F773 AromaticContact CD2-CD2 3.87Å; F767-F773 HydrophobicContact CD2-CD2 3.87Å; F767-F773 HydrophobicContact CE1-CB 3.75Å; F767-F773 HydrophobicContact CE1-CD2 4.32Å; F767-F773 HydrophobicContact CE1-CG 4.43Å; F767-F773 AromaticContact CE2-CD2 3.71Å; F767-F773 HydrophobicContact CE2-CD2 3.71Å; F767-F773 HydrophobicContact CE2-CE2 4.35Å; F767-F773 HydrophobicContact CE2-CG 4.47Å; F767-F773 HydrophobicContact CG-CD2 4.26Å; F767-F773 HydrophobicContact CZ-CB 4.04Å; F767-F773 AromaticContact CZ-CD2 3.94Å; F767-F773 HydrophobicContact CZ-CD2 3.94Å; F767-F773 HydrophobicContact CZ-CG 4.26Å; F773-L775 HydrophobicContact CE1-CD2 3.89Å; F773-L775 HydrophobicContact CZ-CD2 4.4Å
774F88.7Confident88.9Confident88 Ų8848.8 Ų48.839%0.38625%0.246SC..EExtended strand (participates in β ladder)trans-123134.7178.2-67-94.2000110.3G765 K766 T768 K772G765-F774 CarbonylContact C-O 3.46Å; G765-F774 WeakPolarHBondContact CA-O 3.4Å; K766-F774 PolarHBondContact N-O 3.38Å; K766-F774 PolarHBondContact O-N 3.14Å; T768-F774 HydrophobicContact CG2-CD2 3.71Å; T768-F774 HydrophobicContact CG2-CE2 3.4Å; T768-F774 VanDerWaalsContact CG2-CE2 3.4Å; T768-F774 HydrophobicContact CG2-CZ 4.48Å; K772-F774 HydrophobicContact CB-CE2 3.77Å; K772-F774 HydrophobicContact CB-CZ 4.38Å; K772-F774 WeakPolarHBondContact O-CD2 3.48Å
775L90Very high88.7Confident19 Ų1952.9 Ų52.910%0.09927%0.272CS..EExtended strand (participates in β ladder)trans-73.8138.9172.3-69.5172.2000109.8K709 L710 F713 I764 F773 A779 I783 F837K709-L775 HydrophobicContact CG-CD1 4.23Å; K709-L775 HydrophobicContact CG-CG 3.96Å; L710-L775 HydrophobicContact CD2-CD2 3.77Å; F713-L775 HydrophobicContact CD2-CD1 3.62Å; F713-L775 HydrophobicContact CE2-CD1 3.5Å; F713-L775 HydrophobicContact CZ-CD1 4.37Å; I764-L775 HydrophobicContact CG2-CD2 3.8Å; I764-L775 WeakPolarHBondContact O-CA 3.5Å; I764-L775 WeakPolarHBondContact O-CD2 3.47Å; F773-L775 HydrophobicContact CE1-CD2 3.89Å; F773-L775 HydrophobicContact CZ-CD2 4.4Å; L775-A779 HydrophobicContact CD2-CB 4.45Å; L775-I783 HydrophobicContact CD1-CD1 4.03Å; L775-I783 HydrophobicContact CD2-CD1 3.98Å; L775-F837 HydrophobicContact CD1-CD1 4.42Å; L775-F837 HydrophobicContact CD1-CE1 4.34Å
776T89.5Confident88.7Confident23 Ų2355.7 Ų55.714%0.14128%0.283CS..  trans-98.4158.5171.550.80000110.2C763 I764 G765 T778 A779C763-T776 PolarHBondContact O-OG1 3.31Å; I764-T776 PolarHBondContact O-N 3.44Å; I764-T776 VanDerWaalsContact O-N 3.15Å; I764-T776 PolarHBondContact O-OG1 2.81Å; G765-T776 PolarHBondContact N-OG1 3.47Å; T776-T778 PolarHBondContact O-N 3.3Å; T776-T778 VanDerWaalsContact O-N 3.16Å; T776-T778 PolarHBondContact OG1-OG1 3.1Å; T776-A779 VanDerWaalsContact O-CB 3.28Å; T776-A779 WeakPolarHBondContact O-CB 3.46Å; T776-A779 PolarHBondContact O-N 3.4Å
777I91.4Very high88.6Confident3 Ų352.9 Ų52.92%0.01527%0.273CS..G310 helixtrans-61.3-28.9-175.7-166.156.6000113.1A779 L780 F837 C861 I863 Y866 V873I777-A779 PolarHBondContact O-N 3.25Å; I777-A779 VanDerWaalsContact O-N 3.07Å; I777-L780 HydrophobicContact CD1-CB 4.23Å; I777-L780 HydrophobicContact CD1-CD2 3.88Å; I777-L780 WeakPolarHBondContact O-CB 3.38Å; I777-L780 PolarHBondContact O-N 3.49Å; I777-F837 HydrophobicContact CD1-CD2 4.45Å; I777-F837 HydrophobicContact CD1-CE2 4.41Å; I777-C861 WeakPolarHBondContact CA-SG 3.35Å; I777-C861 WeakPolarHBondContact CB-SG 3.41Å; I777-C861 PolarHBondContact N-SG 3.2Å; I777-I863 HydrophobicContact CD1-CG2 3.88Å; I777-I863 HydrophobicContact CG1-CB 4.47Å; I777-I863 HydrophobicContact CG1-CG2 3.93Å; I777-Y866 HydrophobicContact CG1-CE2 4.13Å; I777-Y866 HydrophobicContact CG2-CD2 4.15Å; I777-Y866 HydrophobicContact CG2-CE1 4.26Å; I777-Y866 HydrophobicContact CG2-CE2 3.61Å; I777-V873 HydrophobicContact CG2-CG1 3.85Å; I777-V873 HydrophobicContact CG2-CG2 4.45Å
778T89.5Confident88.6Confident29 Ų2957.9 Ų57.918%0.17830%0.295CS..G310 helixtrans-56.7-21.2174.746.60000113.5C763 T776 L780 Y866 V873C763-T778 VanDerWaalsContact O-CB 3.28Å; C763-T778 WeakPolarHBondContact O-CB 3.11Å; C763-T778 PolarHBondContact O-OG1 3.14Å; T776-T778 PolarHBondContact O-N 3.3Å; T776-T778 VanDerWaalsContact O-N 3.16Å; T776-T778 PolarHBondContact OG1-OG1 3.1Å; T778-L780 VanDerWaalsContact C-N 3.31Å; T778-Y866 HydrophobicContact CG2-CE1 4.5Å; T778-Y866 WeakPolarHBondContact CG2-OH 3.42Å; T778-V873 HydrophobicContact CG2-CG1 4.35Å
779A91.5Very high89Confident0 Ų057.3 Ų57.30%029%0.288CS..G310 helixtrans-75.5-17.7174.800000113.4I764 L775 T776 I777 S781 Y782 I783 F837I764-A779 HydrophobicContact CB-CB 4.44Å; I764-A779 HydrophobicContact CD1-CB 3.94Å; I764-A779 HydrophobicContact CG2-CB 4.1Å; L775-A779 HydrophobicContact CD2-CB 4.45Å; T776-A779 VanDerWaalsContact O-CB 3.28Å; T776-A779 WeakPolarHBondContact O-CB 3.46Å; T776-A779 PolarHBondContact O-N 3.4Å; I777-A779 PolarHBondContact O-N 3.25Å; I777-A779 VanDerWaalsContact O-N 3.07Å; A779-S781 VanDerWaalsContact C-N 3.33Å; A779-S781 PolarHBondContact O-N 3.41Å; A779-Y782 PolarHBondContact O-N 3.42Å; A779-I783 HydrophobicContact CB-CD1 3.61Å; A779-I783 HydrophobicContact CB-CG1 4.3Å; A779-I783 WeakPolarHBondContact O-CG1 3.31Å; A779-I783 PolarHBondContact O-N 3.16Å; A779-F837 HydrophobicContact CB-CZ 4.11Å
780L93.1Very high89.7Confident11 Ų1150.1 Ų50.16%0.05826%0.257CS..Hα-helixtrans-58.4-42.3-170.2-176.663.9000112.5I777 T778 Y782 I783 A784 I826 P834 F837 I863I777-L780 HydrophobicContact CD1-CB 4.23Å; I777-L780 HydrophobicContact CD1-CD2 3.88Å; I777-L780 WeakPolarHBondContact O-CB 3.38Å; I777-L780 PolarHBondContact O-N 3.49Å; T778-L780 VanDerWaalsContact C-N 3.31Å; L780-Y782 PolarHBondContact O-N 3.07Å; L780-I783 PolarHBondContact O-N 3.33Å; L780-A784 HydrophobicContact CD1-CB 4.22Å; L780-A784 WeakPolarHBondContact O-CB 3.45Å; L780-A784 PolarHBondContact O-N 3.02Å; L780-I826 HydrophobicContact CD1-CD1 4.41Å; L780-I826 HydrophobicContact CD1-CG2 3.86Å; L780-P834 HydrophobicContact CD1-CB 4.01Å; L780-P834 HydrophobicContact CD2-CB 3.84Å; L780-P834 HydrophobicContact CG-CB 3.85Å; L780-F837 HydrophobicContact CB-CE2 3.93Å; L780-F837 HydrophobicContact CB-CZ 3.93Å; L780-F837 HydrophobicContact CD1-CE1 4.19Å; L780-F837 HydrophobicContact CD1-CE2 4.17Å; L780-F837 HydrophobicContact CD1-CZ 3.96Å; L780-I863 HydrophobicContact CD2-CG2 3.68Å
781S89.1Confident90.4Very high83 Ų8345.1 Ų45.158%0.5823%0.226SC*.Hα-helixtrans-62.4-29.3178.954.70000113.3A779 P785A779-S781 VanDerWaalsContact C-N 3.33Å; A779-S781 PolarHBondContact O-N 3.41Å; S781-P785 WeakPolarHBondContact O-CD 3.26Å
782Y88.4Confident91.2Very high66 Ų6641.2 Ų41.226%0.25920%0.203SC..Hα-helixtrans-90-28.7179.5-63.5-82.7000113Y740 S762 I764 A779 L780 Y786Y740-Y782 HydrophobicContact CD1-CD1 4.01Å; Y740-Y782 HydrophobicContact CD1-CE1 4.14Å; Y740-Y782 HydrophobicContact CD1-CG 4.38Å; Y740-Y782 AromaticContact CE1-CD1 3.74Å; Y740-Y782 HydrophobicContact CE1-CD1 3.74Å; Y740-Y782 AromaticContact CE1-CE1 3.99Å; Y740-Y782 HydrophobicContact CE1-CE1 3.99Å; Y740-Y782 HydrophobicContact CE1-CG 4.44Å; S762-Y782 VanDerWaalsContact OG-CE2 3.24Å; S762-Y782 WeakPolarHBondContact OG-CE2 3.38Å; S762-Y782 PolarHBondContact OG-OH 3.43Å; I764-Y782 HydrophobicContact CD1-CD2 4.26Å; A779-Y782 PolarHBondContact O-N 3.42Å; L780-Y782 PolarHBondContact O-N 3.07Å; Y782-Y786 WeakPolarHBondContact O-CD2 3.47Å
783I90.9Very high91.8Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-92.6-39.5-174.9-63.2176.4000111.7L710 F713 I714 M721 L775 A779 L780 P785 Y786 A787 I826 F837L710-I783 HydrophobicContact CD2-CD1 3.45Å; L710-I783 VanDerWaalsContact CD2-CD1 3.45Å; L710-I783 HydrophobicContact CD2-CG1 4.08Å; F713-I783 HydrophobicContact CB-CG2 4.04Å; I714-I783 HydrophobicContact CG2-CG2 3.49Å; I714-I783 VanDerWaalsContact CG2-CG2 3.49Å; M721-I783 HydrophobicContact SD-CG1 4.41Å; L775-I783 HydrophobicContact CD1-CD1 4.03Å; L775-I783 HydrophobicContact CD2-CD1 3.98Å; A779-I783 HydrophobicContact CB-CD1 3.61Å; A779-I783 HydrophobicContact CB-CG1 4.3Å; A779-I783 WeakPolarHBondContact O-CG1 3.31Å; A779-I783 PolarHBondContact O-N 3.16Å; L780-I783 PolarHBondContact O-N 3.33Å; I783-P785 VanDerWaalsContact C-N 3.35Å; I783-Y786 PolarHBondContact O-N 3.26Å; I783-A787 PolarHBondContact O-N 2.85Å; I783-I826 HydrophobicContact CG2-CD1 4.29Å; I783-F837 HydrophobicContact CB-CE1 4.05Å; I783-F837 HydrophobicContact CB-CZ 4.35Å; I783-F837 HydrophobicContact CD1-CE1 3.87Å; I783-F837 HydrophobicContact CD1-CZ 3.93Å; I783-F837 HydrophobicContact CG2-CE1 3.93Å
784A92Very high91.9Very high3 Ų338.7 Ų38.73%0.02519%0.192CC..G310 helixtrans-54.3-39-175.800000114.5L780 Y786 A787 I826 Y828 P834L780-A784 HydrophobicContact CD1-CB 4.22Å; L780-A784 WeakPolarHBondContact O-CB 3.45Å; L780-A784 PolarHBondContact O-N 3.02Å; A784-Y786 PolarHBondContact O-N 2.78Å; A784-A787 WeakPolarHBondContact O-CB 3.34Å; A784-A787 PolarHBondContact O-N 3.05Å; A784-I826 HydrophobicContact CB-CG2 4.15Å; A784-Y828 PolarHBondContact O-OH 3.25Å; A784-Y828 VanDerWaalsContact O-OH 3.06Å; A784-P834 HydrophobicContact CB-CB 3.91Å; A784-P834 HydrophobicContact CB-CG 3.82Å
785P89.2Confident92.1Very high85 Ų8538.7 Ų38.755%0.55220%0.201SC*.G310 helixtrans-59.3-30.5177.4-2636.3000113.7S781 I783S781-P785 WeakPolarHBondContact O-CD 3.26Å; I783-P785 VanDerWaalsContact C-N 3.35Å
786Y90.4Very high92.1Very high59 Ų5946.7 Ų46.723%0.23124%0.235CC..G310 helixtrans-104.57.5-174.8-52-71.2000113.4I714 N717 L720 M721 Y782 I783 A784 K788I714-Y786 WeakPolarHBondContact CG2-O 3.37Å; N717-Y786 PolarHBondContact ND2-O 2.93Å; L720-Y786 HydrophobicContact CB-CD1 4.14Å; L720-Y786 HydrophobicContact CB-CE1 3.77Å; L720-Y786 HydrophobicContact CD1-CD1 3.95Å; L720-Y786 HydrophobicContact CD1-CE1 4.05Å; M721-Y786 HydrophobicContact CG-CD2 3.91Å; M721-Y786 HydrophobicContact CG-CE2 3.87Å; Y782-Y786 WeakPolarHBondContact O-CD2 3.47Å; I783-Y786 PolarHBondContact O-N 3.26Å; A784-Y786 PolarHBondContact O-N 2.78Å; Y786-K788 PolarHBondContact O-N 3.33Å
787A91.1Very high92.4Very high12 Ų1246.3 Ų46.310%0.09924%0.235CC..  trans-58123.2-173.900000111.9I783 A784 K790 I826I783-A787 PolarHBondContact O-N 2.85Å; A784-A787 WeakPolarHBondContact O-CB 3.34Å; A784-A787 PolarHBondContact O-N 3.05Å; A787-K790 HydrophobicContact CB-CG 4.08Å; A787-I826 HydrophobicContact CB-CB 3.94Å; A787-I826 HydrophobicContact CB-CG1 3.42Å; A787-I826 VanDerWaalsContact CB-CG1 3.42Å
788K90.4Very high92.5Very high118 Ų11848.2 Ų48.251%0.51324%0.243SC..SBendtrans-70.3-40.1178.4-171.6-179.5-177.7-1640111.7F713 Y786F713-K788 PolarHBondContact O-N 3.37Å; Y786-K788 PolarHBondContact O-N 3.33Å
789Y94.3Very high92.6Very high32 Ų3252.4 Ų52.413%0.12526%0.261CS..SBendtrans-126.7133.6-177.5-57.7-60.1000110.3T816 D818 V819 P820 A823 I826Y789-T816 WeakPolarHBondContact CA-OG1 3.43Å; Y789-D818 VanDerWaalsContact CE1-O 3.32Å; Y789-D818 WeakPolarHBondContact CE1-O 3.46Å; Y789-D818 PolarHBondContact OH-O 2.63Å; Y789-V819 HydrophobicContact CD1-CB 4.33Å; Y789-V819 HydrophobicContact CD1-CG2 3.63Å; Y789-V819 HydrophobicContact CE1-CG2 4.37Å; Y789-V819 HydrophobicContact CG-CG1 4.36Å; Y789-V819 HydrophobicContact CG-CG2 3.94Å; Y789-P820 HydrophobicContact CE2-CG 4.43Å; Y789-A823 HydrophobicContact CD2-CB 3.9Å; Y789-A823 HydrophobicContact CE2-CB 4.06Å; Y789-I826 PolarHBondContact O-N 3.01Å
790K95.7Very high92.7Very high57 Ų5754.8 Ų54.825%0.24828%0.278CS..EExtended strand (participates in β ladder)trans-130.7144.8-174.8-56.2-178.4177177.10110.5A787 W792 I815 T816 I826 Y828A787-K790 HydrophobicContact CB-CG 4.08Å; K790-W792 HydrophobicContact CB-CH2 3.62Å; K790-W792 HydrophobicContact CB-CZ2 4.23Å; K790-W792 HydrophobicContact CB-CZ3 3.78Å; K790-W792 HydrophobicContact CD-CH2 4.19Å; K790-W792 HydrophobicContact CD-CZ2 4.37Å; K790-I815 WeakPolarHBondContact O-CA 3.41Å; K790-T816 HydrophobicContact CB-CG2 3.9Å; K790-T816 PolarHBondContact N-OG1 3.11Å; K790-T816 VanDerWaalsContact N-OG1 3.09Å; K790-T816 PolarHBondContact O-N 3.28Å; K790-T816 PolarHBondContact O-OG1 3.16Å; K790-I826 WeakPolarHBondContact CA-O 3.49Å; K790-Y828 HydrophobicContact CB-CD2 4.09Å; K790-Y828 HydrophobicContact CB-CE2 3.91Å; K790-Y828 HydrophobicContact CD-CD2 4.47Å; K790-Y828 HydrophobicContact CD-CE2 3.7Å; K790-Y828 HydrophobicContact CG-CD2 4.39Å; K790-Y828 HydrophobicContact CG-CE2 3.7Å
791A96Very high92.9Very high0 Ų054.3 Ų54.30%028%0.275CS..EExtended strand (participates in β ladder)trans-136.8135.3174.400000110.7L812 R814 I815 V825 I826 L827 Y828 I857A791-L812 HydrophobicContact CB-CD1 3.74Å; A791-R814 CarbonylContact C-O 3.47Å; A791-R814 WeakPolarHBondContact CA-O 3.47Å; A791-I815 HydrophobicContact CB-CB 4.34Å; A791-I815 HydrophobicContact CB-CD1 4.36Å; A791-I815 HydrophobicContact CB-CG1 4.09Å; A791-V825 HydrophobicContact CB-CG1 3.66Å; A791-I826 PolarHBondContact N-O 3.48Å; A791-L827 HydrophobicContact CB-CD2 3.58Å; A791-L827 CarbonylContact O-C 3.46Å; A791-L827 VanDerWaalsContact O-CA 3.26Å; A791-L827 WeakPolarHBondContact O-CA 3.39Å; A791-Y828 PolarHBondContact O-N 3.38Å; A791-I857 HydrophobicContact CB-CD1 3.62Å
792W97.5Very high93.1Very high25 Ų2552.4 Ų52.410%0.09526%0.258CS..EExtended strand (participates in β ladder)trans-104.9133.1-179.6-66.7-104.4000109.7K790 A813 R814 T816 Y828 S829 D832K790-W792 HydrophobicContact CB-CH2 3.62Å; K790-W792 HydrophobicContact CB-CZ2 4.23Å; K790-W792 HydrophobicContact CB-CZ3 3.78Å; K790-W792 HydrophobicContact CD-CH2 4.19Å; K790-W792 HydrophobicContact CD-CZ2 4.37Å; W792-A813 HydrophobicContact CB-CB 4.39Å; W792-A813 WeakPolarHBondContact O-CA 3.46Å; W792-A813 WeakPolarHBondContact O-CB 3.45Å; W792-A813 PolarHBondContact O-N 3.12Å; W792-R814 HydrophobicContact CB-CB 4.26Å; W792-R814 HydrophobicContact CD2-CB 4.49Å; W792-R814 HydrophobicContact CE3-CB 3.96Å; W792-R814 HydrophobicContact CE3-CG 3.73Å; W792-R814 HydrophobicContact CZ3-CG 4.07Å; W792-R814 PolarHBondContact N-O 3.25Å; W792-R814 PolarHBondContact O-N 3.38Å; W792-T816 HydrophobicContact CH2-CG2 4.25Å; W792-T816 HydrophobicContact CZ3-CG2 4.05Å; W792-Y828 CarbonylContact C-O 3.56Å; W792-Y828 WeakPolarHBondContact CA-O 3.33Å; W792-S829 VanDerWaalsContact CD1-O 3.25Å; W792-D832 PolarHBondContact NE1-OD1 3.48Å
793L97.1Very high93.2Very high0 Ų056.4 Ų56.40%027%0.274CS..EExtended strand (participates in β ladder)trans-95.9147.3-179.7-57.9-172.9000111.2A797 E798 F801 V807 L827 Y828 L835L793-A797 HydrophobicContact CB-CB 4.45Å; L793-E798 HydrophobicContact CB-CB 4.34Å; L793-F801 HydrophobicContact CD1-CB 3.55Å; L793-F801 HydrophobicContact CD1-CD1 4.04Å; L793-F801 HydrophobicContact CD1-CD2 4.44Å; L793-F801 HydrophobicContact CD1-CG 3.75Å; L793-V807 HydrophobicContact CD1-CG2 4.22Å; L793-V807 HydrophobicContact CD2-CB 4.36Å; L793-V807 HydrophobicContact CD2-CG1 3.56Å; L793-V807 HydrophobicContact CD2-CG2 3.84Å; L793-L827 HydrophobicContact CD1-CD1 3.96Å; L793-L827 HydrophobicContact CD2-CD1 4.28Å; L793-L827 HydrophobicContact CG-CD1 4.37Å; L793-Y828 PolarHBondContact N-O 3.22Å; L793-L835 HydrophobicContact CD1-CD1 4.01Å; L793-L835 HydrophobicContact CG-CD1 4.43Å
794K95.1Very high93.2Very high99 Ų9957.8 Ų57.843%0.4329%0.288SS..  trans-70.9152.3166.7-64.7-179.7-173.7166.90109.3K796 A797 E798 S810 G811 A813K794-K796 VanDerWaalsContact C-N 3.31Å; K794-K796 PolarHBondContact O-N 2.7Å; K794-K796 VanDerWaalsContact O-N 3.12Å; K794-A797 CarbonylContact O-C 3.52Å; K794-A797 WeakPolarHBondContact O-CA 3.28Å; K794-A797 WeakPolarHBondContact O-CB 3.47Å; K794-A797 PolarHBondContact O-N 3.37Å; K794-E798 PolarHBondContact O-N 3.1Å; K794-S810 WeakPolarHBondContact CD-O 3.01Å; K794-S810 WeakPolarHBondContact CE-O 3.22Å; K794-S810 PolarHBondContact NZ-O 3.21Å; K794-G811 PolarHBondContact N-O 3.12Å; K794-A813 HydrophobicContact CG-CB 3.82Å
795P92.7Very high93.4Very high88 Ų8861.5 Ų61.557%0.57131%0.308SS*.Hα-helixtrans-52.2-41-175.4-30.235.5000115.3A797 E798 Q799P795-A797 VanDerWaalsContact C-N 3.34Å; P795-A797 PolarHBondContact O-N 2.8Å; P795-E798 WeakPolarHBondContact O-CB 3.13Å; P795-E798 PolarHBondContact O-N 3.26Å; P795-Q799 PolarHBondContact O-N 3.02Å
796K90.6Very high93.7Very high187 Ų18761.5 Ų61.581%0.81330%0.3SS*.Hα-helixtrans-66.1-35.5175.9-71.1-172.3177.6-177.30113.1K794 S800K794-K796 VanDerWaalsContact C-N 3.31Å; K794-K796 PolarHBondContact O-N 2.7Å; K794-K796 VanDerWaalsContact O-N 3.12Å; K796-S800 PolarHBondContact O-N 3.3Å
797A94Very high94Very high16 Ų1659 Ų5913%0.13229%0.291CS..Hα-helixtrans-79.2-29.218000000112.2L793 K794 P795 S800 F801 G811L793-A797 HydrophobicContact CB-CB 4.45Å; K794-A797 CarbonylContact O-C 3.52Å; K794-A797 WeakPolarHBondContact O-CA 3.28Å; K794-A797 WeakPolarHBondContact O-CB 3.47Å; K794-A797 PolarHBondContact O-N 3.37Å; P795-A797 VanDerWaalsContact C-N 3.34Å; P795-A797 PolarHBondContact O-N 2.8Å; A797-S800 PolarHBondContact O-N 3.08Å; A797-F801 WeakPolarHBondContact O-CB 3.09Å; A797-F801 PolarHBondContact O-N 2.96Å; A797-G811 WeakPolarHBondContact CB-O 3.37Å
798E94.4Very high94.2Very high43 Ų4361.8 Ų61.820%0.20130%0.304CS..Hα-helixtrans-56.2-53170.2170.3173.1173.700110.5L793 K794 P795 S800 F801 L802 S829 L835L793-E798 HydrophobicContact CB-CB 4.34Å; K794-E798 PolarHBondContact O-N 3.1Å; P795-E798 WeakPolarHBondContact O-CB 3.13Å; P795-E798 PolarHBondContact O-N 3.26Å; E798-S800 VanDerWaalsContact C-N 3.31Å; E798-S800 PolarHBondContact O-N 3.37Å; E798-F801 PolarHBondContact O-N 3.17Å; E798-F801 VanDerWaalsContact O-N 3.15Å; E798-L802 HydrophobicContact CG-CD1 4.12Å; E798-L802 HydrophobicContact CG-CG 4.49Å; E798-L802 VanDerWaalsContact O-CG 3.3Å; E798-L802 WeakPolarHBondContact O-CG 3.22Å; E798-L802 PolarHBondContact O-N 3.5Å; E798-S829 WeakPolarHBondContact OE2-CB 3.43Å; E798-L835 HydrophobicContact CB-CD1 4.22Å; E798-L835 HydrophobicContact CG-CD1 3.75Å; E798-L835 HydrophobicContact CG-CD2 4.26Å
799Q91.3Very high94.4Very high117 Ų11758.6 Ų58.655%0.54729%0.29SS..Hα-helixtrans-57.2-44.7177-171.41781900111.8P795 F801 L802 Y803P795-Q799 PolarHBondContact O-N 3.02Å; Q799-F801 PolarHBondContact O-N 2.84Å; Q799-L802 CarbonylContact O-C 3.46Å; Q799-L802 PolarHBondContact O-N 3.05Å; Q799-Y803 HydrophobicContact CG-CD2 4.08Å; Q799-Y803 HydrophobicContact CG-CE2 3.66Å; Q799-Y803 WeakPolarHBondContact O-CD2 3.4Å; Q799-Y803 PolarHBondContact O-N 3.44Å
800S94Very high94.4Very high50 Ų5059.9 Ų59.935%0.3530%0.304SS..Hα-helixtrans-61.3-42.6177.4-176.70000112.8K796 A797 E798 Y803 N805K796-S800 PolarHBondContact O-N 3.3Å; A797-S800 PolarHBondContact O-N 3.08Å; E798-S800 VanDerWaalsContact C-N 3.31Å; E798-S800 PolarHBondContact O-N 3.37Å; S800-Y803 PolarHBondContact O-N 3.12Å; S800-Y803 VanDerWaalsContact O-N 3.11Å; S800-N805 VanDerWaalsContact O-CB 3.3Å; S800-N805 WeakPolarHBondContact O-CB 3.5Å; S800-N805 PolarHBondContact O-N 3.3Å; S800-N805 PolarHBondContact O-ND2 3.39Å; S800-N805 WeakPolarHBondContact OG-CB 3.45Å; S800-N805 PolarHBondContact OG-ND2 3.45Å
801F96Very high94.3Very high1 Ų157.6 Ų57.60%0.00430%0.296CS..Hα-helixtrans-64.1-41.7177.1-179.6-104000111.7L793 A797 E798 Q799 Y803 G804 N805 V807 L827 L835 N859 D862L793-F801 HydrophobicContact CD1-CB 3.55Å; L793-F801 HydrophobicContact CD1-CD1 4.04Å; L793-F801 HydrophobicContact CD1-CD2 4.44Å; L793-F801 HydrophobicContact CD1-CG 3.75Å; A797-F801 WeakPolarHBondContact O-CB 3.09Å; A797-F801 PolarHBondContact O-N 2.96Å; E798-F801 PolarHBondContact O-N 3.17Å; E798-F801 VanDerWaalsContact O-N 3.15Å; Q799-F801 PolarHBondContact O-N 2.84Å; F801-Y803 PolarHBondContact O-N 2.93Å; F801-Y803 VanDerWaalsContact O-N 3.13Å; F801-G804 PolarHBondContact O-N 3.45Å; F801-N805 WeakPolarHBondContact CD2-O 3.5Å; F801-V807 HydrophobicContact CD2-CG2 3.73Å; F801-V807 HydrophobicContact CE2-CG2 4.38Å; F801-V807 HydrophobicContact CG-CG2 4.42Å; F801-L827 HydrophobicContact CD1-CD1 4.08Å; F801-L827 HydrophobicContact CD2-CD1 3.54Å; F801-L827 HydrophobicContact CE1-CB 4.19Å; F801-L827 HydrophobicContact CE1-CD1 3.79Å; F801-L827 HydrophobicContact CE1-CG 4.37Å; F801-L827 HydrophobicContact CE2-CD1 3.2Å; F801-L827 HydrophobicContact CE2-CG 4.27Å; F801-L827 HydrophobicContact CG-CD1 3.97Å; F801-L827 HydrophobicContact CZ-CB 4.31Å; F801-L827 HydrophobicContact CZ-CD1 3.36Å; F801-L827 HydrophobicContact CZ-CG 4.01Å; F801-L835 HydrophobicContact CD1-CB 4.16Å; F801-L835 HydrophobicContact CE1-CB 4.07Å; F801-N859 HydrophobicContact CD2-CB 4.1Å; F801-N859 HydrophobicContact CE2-CB 3.58Å; F801-N859 WeakPolarHBondContact CE2-ND2 2.99Å; F801-N859 HydrophobicContact CZ-CB 4.47Å; F801-N859 PolarHBondContact O-ND2 2.81Å; F801-D862 HydrophobicContact CD1-CB 3.94Å; F801-D862 HydrophobicContact CE1-CB 3.39Å; F801-D862 HydrophobicContact CZ-CB 3.79Å
802L93.3Very high94.2Very high42 Ų4258 Ų5822%0.2230%0.298CS..THydrogen-bonded Turntrans-70.73.2173.6-62.7-176.1000114.2E798 Q799 L835 D862 I863 R868E798-L802 HydrophobicContact CG-CD1 4.12Å; E798-L802 HydrophobicContact CG-CG 4.49Å; E798-L802 VanDerWaalsContact O-CG 3.3Å; E798-L802 WeakPolarHBondContact O-CG 3.22Å; E798-L802 PolarHBondContact O-N 3.5Å; Q799-L802 CarbonylContact O-C 3.46Å; Q799-L802 PolarHBondContact O-N 3.05Å; L802-L835 HydrophobicContact CD2-CB 4.48Å; L802-L835 HydrophobicContact CD2-CD2 4.36Å; L802-D862 HydrophobicContact CD2-CB 4.39Å; L802-I863 HydrophobicContact CD2-CD1 4.08Å; L802-I863 HydrophobicContact CD2-CG1 3.32Å; L802-R868 PolarHBondContact O-NH1 3.13Å
803Y92.1Very high94Very high150 Ų15059.6 Ų59.659%0.58832%0.316SS*.THydrogen-bonded Turntrans-105.910.9164.9-77.7-65.1000112.7Q799 S800 F801Q799-Y803 HydrophobicContact CG-CD2 4.08Å; Q799-Y803 HydrophobicContact CG-CE2 3.66Å; Q799-Y803 WeakPolarHBondContact O-CD2 3.4Å; Q799-Y803 PolarHBondContact O-N 3.44Å; S800-Y803 PolarHBondContact O-N 3.12Å; S800-Y803 VanDerWaalsContact O-N 3.11Å; F801-Y803 PolarHBondContact O-N 2.93Å; F801-Y803 VanDerWaalsContact O-N 3.13Å
804G91.1Very high93.8Very high30 Ų3066.9 Ų66.931%0.30934%0.344SS..THydrogen-bonded Turntrans88.62.3179.100000114.3F801 N859F801-G804 PolarHBondContact O-N 3.45Å; G804-N859 WeakPolarHBondContact CA-ND2 3.47Å
805N94.6Very high93.7Very high81 Ų8163.2 Ų63.243%0.43333%0.329SS..PPolyproline II helixtrans-76.5155-179.8-59.4-65.4000111.8S800 F801 N859S800-N805 VanDerWaalsContact O-CB 3.3Å; S800-N805 WeakPolarHBondContact O-CB 3.5Å; S800-N805 PolarHBondContact O-N 3.3Å; S800-N805 PolarHBondContact O-ND2 3.39Å; S800-N805 WeakPolarHBondContact OG-CB 3.45Å; S800-N805 PolarHBondContact OG-ND2 3.45Å; F801-N805 WeakPolarHBondContact CD2-O 3.5Å; N805-N859 WeakPolarHBondContact O-CB 3.04Å; N805-N859 PolarHBondContact O-ND2 2.84Å
806H96.7Very high93.8Very high85 Ų8560.4 Ų60.439%0.39431%0.31SS..PPolyproline II helixtrans-77.1159.5171.4-57.8-25.3000111.5L855 I857 N859H806-L855 HydrophobicContact CB-CD1 3.34Å; H806-L855 HydrophobicContact CB-CG 4.46Å; H806-I857 WeakPolarHBondContact CB-O 3.5Å; H806-N859 PolarHBondContact ND1-N 3.34Å
807V96Very high93.8Very high5 Ų556 Ų563%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-94124.5-176.2-175.50000110.1L793 F801 L827 V856 I857L793-V807 HydrophobicContact CD1-CG2 4.22Å; L793-V807 HydrophobicContact CD2-CB 4.36Å; L793-V807 HydrophobicContact CD2-CG1 3.56Å; L793-V807 HydrophobicContact CD2-CG2 3.84Å; F801-V807 HydrophobicContact CD2-CG2 3.73Å; F801-V807 HydrophobicContact CE2-CG2 4.38Å; F801-V807 HydrophobicContact CG-CG2 4.42Å; V807-L827 HydrophobicContact CG2-CD1 3.7Å; V807-V856 HydrophobicContact CG1-CG2 4.22Å; V807-V856 VanDerWaalsContact O-CG2 3.25Å; V807-V856 WeakPolarHBondContact O-CG2 3.46Å; V807-V856 PolarHBondContact O-N 2.89Å; V807-I857 HydrophobicContact CB-CB 4.04Å; V807-I857 HydrophobicContact CG2-CB 4.33Å; V807-I857 PolarHBondContact N-O 3.31Å; V807-I857 PolarHBondContact O-N 3.27Å
808L95.3Very high93.6Very high71 Ų7161.8 Ų61.837%0.37232%0.324SS..EExtended strand (participates in β ladder)trans-87.1156.7169.1-55.3-177000110.9S810 G811 L812 S854 L855L808-S810 PolarHBondContact O-N 2.97Å; L808-G811 PolarHBondContact O-N 3.02Å; L808-L812 PolarHBondContact O-N 3.31Å; L808-S854 CarbonylContact C-O 3.53Å; L808-S854 WeakPolarHBondContact CA-O 3.3Å; L808-L855 HydrophobicContact CD2-CB 4.34Å; L808-L855 HydrophobicContact CD2-CD1 3.89Å
809K94.7Very high93.6Very high51 Ų5159.9 Ų59.922%0.22232%0.315CS..G310 helixtrans-55.3-38.9179.9175.256.7-173.5-174.60112.5G811 L812 C847 D851 S854 V856K809-G811 PolarHBondContact O-N 3.21Å; K809-L812 HydrophobicContact CD-CD2 4.5Å; K809-L812 PolarHBondContact O-N 3.41Å; K809-C847 WeakPolarHBondContact CD-O 3.4Å; K809-C847 WeakPolarHBondContact CE-O 3.47Å; K809-C847 PolarHBondContact NZ-O 3.38Å; K809-D851 WeakPolarHBondContact CB-O 3.18Å; K809-S854 PolarHBondContact N-O 3.09Å; K809-V856 HydrophobicContact CB-CG1 3.8Å; K809-V856 HydrophobicContact CD-CG1 4.35Å
810S93.5Very high93.6Very high60 Ų6057.2 Ų57.242%0.4231%0.308SS..G310 helixtrans-57.2-31.8176.457.20000113.3K794 L808 P852K794-S810 WeakPolarHBondContact CD-O 3.01Å; K794-S810 WeakPolarHBondContact CE-O 3.22Å; K794-S810 PolarHBondContact NZ-O 3.21Å; L808-S810 PolarHBondContact O-N 2.97Å; S810-P852 VanDerWaalsContact CB-O 3.22Å; S810-P852 WeakPolarHBondContact CB-O 3.5Å; S810-P852 PolarHBondContact N-O 2.91Å; S810-P852 PolarHBondContact OG-O 3.38Å
811G93.9Very high93.5Very high8 Ų857.7 Ų57.78%0.08231%0.309CS..G310 helixtrans-86.3-15.7-179.500000115.2K794 A797 L808 K809 A813K794-G811 PolarHBondContact N-O 3.12Å; A797-G811 WeakPolarHBondContact CB-O 3.37Å; L808-G811 PolarHBondContact O-N 3.02Å; K809-G811 PolarHBondContact O-N 3.21Å; G811-A813 PolarHBondContact O-N 2.95Å
812L94Very high93.3Very high9 Ų963.1 Ų63.15%0.04734%0.338CS..EExtended strand (participates in β ladder)trans-78.2118.7178.7-173.267.1000109.9A791 L808 K809 R814 I815 V856 I857A791-L812 HydrophobicContact CB-CD1 3.74Å; L808-L812 PolarHBondContact O-N 3.31Å; K809-L812 HydrophobicContact CD-CD2 4.5Å; K809-L812 PolarHBondContact O-N 3.41Å; L812-R814 WeakPolarHBondContact CD1-O 3.13Å; L812-I815 HydrophobicContact CD1-CB 4.34Å; L812-I815 HydrophobicContact CD2-CB 4.05Å; L812-I815 HydrophobicContact CD2-CG2 4.08Å; L812-V856 HydrophobicContact CD2-CG2 4.34Å; L812-I857 HydrophobicContact CD1-CD1 4.22Å
813A93.2Very high93.2Very high58 Ų5861.7 Ų61.748%0.47933%0.332SS..EExtended strand (participates in β ladder)trans-81.1-49.9174.500000110.8W792 K794 G811W792-A813 HydrophobicContact CB-CB 4.39Å; W792-A813 WeakPolarHBondContact O-CA 3.46Å; W792-A813 WeakPolarHBondContact O-CB 3.45Å; W792-A813 PolarHBondContact O-N 3.12Å; K794-A813 HydrophobicContact CG-CB 3.82Å; G811-A813 PolarHBondContact O-N 2.95Å
814R93.2Very high93.3Very high153 Ų15354.6 Ų54.658%0.57731%0.305SS*.EExtended strand (participates in β ladder)trans-149.5151-179174.1-178.7158.3-161.8-5.3109.6A791 W792 L812A791-R814 CarbonylContact C-O 3.47Å; A791-R814 WeakPolarHBondContact CA-O 3.47Å; W792-R814 HydrophobicContact CB-CB 4.26Å; W792-R814 HydrophobicContact CD2-CB 4.49Å; W792-R814 HydrophobicContact CE3-CB 3.96Å; W792-R814 HydrophobicContact CE3-CG 3.73Å; W792-R814 HydrophobicContact CZ3-CG 4.07Å; W792-R814 PolarHBondContact N-O 3.25Å; W792-R814 PolarHBondContact O-N 3.38Å; L812-R814 WeakPolarHBondContact CD1-O 3.13Å
815I94Very high93.5Very high23 Ų2353.1 Ų53.112%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-135.8147.5168-171.7162.7000107.9K790 A791 L812 V819 T844K790-I815 WeakPolarHBondContact O-CA 3.41Å; A791-I815 HydrophobicContact CB-CB 4.34Å; A791-I815 HydrophobicContact CB-CD1 4.36Å; A791-I815 HydrophobicContact CB-CG1 4.09Å; L812-I815 HydrophobicContact CD1-CB 4.34Å; L812-I815 HydrophobicContact CD2-CB 4.05Å; L812-I815 HydrophobicContact CD2-CG2 4.08Å; I815-V819 HydrophobicContact CD1-CB 4.3Å; I815-V819 HydrophobicContact CD1-CG1 4.4Å; I815-V819 HydrophobicContact CD1-CG2 4.04Å; I815-V819 HydrophobicContact CG1-CG2 3.82Å; I815-T844 HydrophobicContact CG2-CG2 4.07Å
816T93.9Very high93.6Very high28 Ų2849.3 Ų49.317%0.17227%0.269CS..  trans-58.6155.5172.247.20000111.1Y789 K790 W792 V819 T844Y789-T816 WeakPolarHBondContact CA-OG1 3.43Å; K790-T816 HydrophobicContact CB-CG2 3.9Å; K790-T816 PolarHBondContact N-OG1 3.11Å; K790-T816 VanDerWaalsContact N-OG1 3.09Å; K790-T816 PolarHBondContact O-N 3.28Å; K790-T816 PolarHBondContact O-OG1 3.16Å; W792-T816 HydrophobicContact CH2-CG2 4.25Å; W792-T816 HydrophobicContact CZ3-CG2 4.05Å; T816-V819 WeakPolarHBondContact O-CG2 3.31Å; T816-V819 WeakPolarHBondContact OG1-CG2 3.46Å; T816-T844 PolarHBondContact O-OG1 3.27Å
817D90.5Very high93.6Very high94 Ų9445.2 Ų45.250%0.50325%0.251SS..THydrogen-bonded Turntrans-69.4160.9173.9-64.1-48.4000111.4V819 R848D817-V819 PolarHBondContact O-N 3.19Å; D817-V819 VanDerWaalsContact O-N 3.09Å; D817-R848 IonicContact OD1-CZ 3.89Å; D817-R848 IonicContact OD1-NH2 3.02Å; D817-R848 PolarHBondContact OD1-NH2 3.29Å
818D90.8Very high93.6Very high139 Ų13945.7 Ų45.774%0.74325%0.252SS*.THydrogen-bonded Turntrans54.132.2174-52-39.5000116Y789 P820Y789-D818 VanDerWaalsContact CE1-O 3.32Å; Y789-D818 WeakPolarHBondContact CE1-O 3.46Å; Y789-D818 PolarHBondContact OH-O 2.63Å; D818-P820 WeakPolarHBondContact O-CD 3.4Å
819V93Very high93.6Very high2 Ų242.5 Ų42.51%0.01224%0.235CC..PPolyproline II helixtrans-73.8116.6169.4-176.10000107.7Y789 I815 T816 D817 A823 V825 A840 S843 T844Y789-V819 HydrophobicContact CD1-CB 4.33Å; Y789-V819 HydrophobicContact CD1-CG2 3.63Å; Y789-V819 HydrophobicContact CE1-CG2 4.37Å; Y789-V819 HydrophobicContact CG-CG1 4.36Å; Y789-V819 HydrophobicContact CG-CG2 3.94Å; I815-V819 HydrophobicContact CD1-CB 4.3Å; I815-V819 HydrophobicContact CD1-CG1 4.4Å; I815-V819 HydrophobicContact CD1-CG2 4.04Å; I815-V819 HydrophobicContact CG1-CG2 3.82Å; T816-V819 WeakPolarHBondContact O-CG2 3.31Å; T816-V819 WeakPolarHBondContact OG1-CG2 3.46Å; D817-V819 PolarHBondContact O-N 3.19Å; D817-V819 VanDerWaalsContact O-N 3.09Å; V819-A823 HydrophobicContact CG1-CB 3.83Å; V819-V825 HydrophobicContact CG1-CG2 3.83Å; V819-A840 HydrophobicContact CG1-CB 3.74Å; V819-S843 CarbonylContact O-C 3.52Å; V819-S843 WeakPolarHBondContact O-CA 3.43Å; V819-S843 WeakPolarHBondContact O-CB 3.26Å; V819-T844 WeakPolarHBondContact CB-OG1 3.45Å; V819-T844 PolarHBondContact N-OG1 3.08Å; V819-T844 PolarHBondContact O-N 3.02Å
820P92.4Very high93.4Very high61 Ų6143 Ų4340%0.39625%0.246SC..PPolyproline II helixtrans-78.7160.3174.729.1-27.9000111.1Y789 D818 A823Y789-P820 HydrophobicContact CE2-CG 4.43Å; D818-P820 WeakPolarHBondContact O-CD 3.4Å; P820-A823 HydrophobicContact CG-CB 3.89Å; P820-A823 WeakPolarHBondContact O-CB 3.5Å; P820-A823 PolarHBondContact O-N 3.47Å
821T92.1Very high93.3Very high61 Ų6146.7 Ų46.737%0.37426%0.261SS..THydrogen-bonded Turntrans-58.3140.5169.7-55.50000110.2A823 T841 S843 Q846T821-A823 VanDerWaalsContact C-N 3.25Å; T821-A823 PolarHBondContact O-N 3.17Å; T821-T841 WeakPolarHBondContact CG2-O 3.35Å; T821-S843 PolarHBondContact OG1-N 3.41Å; T821-Q846 PolarHBondContact OG1-OE1 3.24Å
822N91.3Very high93.2Very high115 Ų11551.2 Ų51.262%0.61528%0.283SS*.THydrogen-bonded Turntrans65.914.5-175.1-61-33.8000116A840N822-A840 VanDerWaalsContact CA-O 3.3Å; N822-A840 WeakPolarHBondContact CA-O 3.35Å; N822-A840 PolarHBondContact N-O 2.75Å
823A91.4Very high93.2Very high11 Ų1155.4 Ų55.49%0.09131%0.305CS..  trans-70.8146.3172.200000112.3Y789 V819 P820 T821 I839 A840Y789-A823 HydrophobicContact CD2-CB 3.9Å; Y789-A823 HydrophobicContact CE2-CB 4.06Å; V819-A823 HydrophobicContact CG1-CB 3.83Å; P820-A823 HydrophobicContact CG-CB 3.89Å; P820-A823 WeakPolarHBondContact O-CB 3.5Å; P820-A823 PolarHBondContact O-N 3.47Å; T821-A823 VanDerWaalsContact C-N 3.25Å; T821-A823 PolarHBondContact O-N 3.17Å; A823-I839 CarbonylContact O-C 3.19Å; A823-I839 VanDerWaalsContact O-CA 3.31Å; A823-I839 WeakPolarHBondContact O-CA 3.46Å; A823-A840 PolarHBondContact O-N 3.3Å
824G93.3Very high93.4Very high1 Ų154.4 Ų54.41%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-74.8129.4165.900000110.3K712 G838K712-G824 WeakPolarHBondContact O-CA 3.33Å; K712-G824 PolarHBondContact O-N 3.35Å; G824-G838 WeakPolarHBondContact CA-O 3.38Å
825V95Very high93.5Very high0 Ų047.1 Ų47.10%027%0.266CS..EExtended strand (participates in β ladder)trans-126.2135.3-178.6-173.20000108.9A791 V819 L827 G838 A840A791-V825 HydrophobicContact CB-CG1 3.66Å; V819-V825 HydrophobicContact CG1-CG2 3.83Å; V825-L827 HydrophobicContact CG1-CD2 4.17Å; V825-G838 PolarHBondContact N-O 3.45Å; V825-G838 PolarHBondContact O-N 3.09Å; V825-A840 HydrophobicContact CG2-CB 3.98Å
826I96.4Very high93.6Very high0 Ų046 Ų460%026%0.26CS..EExtended strand (participates in β ladder)trans-89.9128.2170.5-56.7-55.7000108.9F713 L780 I783 A784 A787 Y789 K790 A791 Y828 G836 F837F713-I826 HydrophobicContact CD1-CD1 3.76Å; F713-I826 HydrophobicContact CE1-CD1 4.43Å; F713-I826 HydrophobicContact CG-CD1 4.43Å; L780-I826 HydrophobicContact CD1-CD1 4.41Å; L780-I826 HydrophobicContact CD1-CG2 3.86Å; I783-I826 HydrophobicContact CG2-CD1 4.29Å; A784-I826 HydrophobicContact CB-CG2 4.15Å; A787-I826 HydrophobicContact CB-CB 3.94Å; A787-I826 HydrophobicContact CB-CG1 3.42Å; A787-I826 VanDerWaalsContact CB-CG1 3.42Å; Y789-I826 PolarHBondContact O-N 3.01Å; K790-I826 WeakPolarHBondContact CA-O 3.49Å; A791-I826 PolarHBondContact N-O 3.48Å; I826-Y828 HydrophobicContact CB-CE2 3.84Å; I826-Y828 HydrophobicContact CG2-CD2 4.13Å; I826-Y828 HydrophobicContact CG2-CE2 3.46Å; I826-Y828 VanDerWaalsContact CG2-CE2 3.46Å; I826-Y828 WeakPolarHBondContact O-CD2 3.38Å; I826-G836 WeakPolarHBondContact CA-O 3.46Å; I826-F837 HydrophobicContact CD1-CD1 3.16Å; I826-F837 HydrophobicContact CD1-CE1 3.39Å; I826-F837 HydrophobicContact CD1-CG 4.2Å
827L96.9Very high93.6Very high0 Ų044.8 Ų44.80%025%0.253CS..EExtended strand (participates in β ladder)trans-90.7143179.2-58.4-160.5000111A791 L793 F801 V807 V825 P834 L835 G836 I857A791-L827 HydrophobicContact CB-CD2 3.58Å; A791-L827 CarbonylContact O-C 3.46Å; A791-L827 VanDerWaalsContact O-CA 3.26Å; A791-L827 WeakPolarHBondContact O-CA 3.39Å; L793-L827 HydrophobicContact CD1-CD1 3.96Å; L793-L827 HydrophobicContact CD2-CD1 4.28Å; L793-L827 HydrophobicContact CG-CD1 4.37Å; F801-L827 HydrophobicContact CD1-CD1 4.08Å; F801-L827 HydrophobicContact CD2-CD1 3.54Å; F801-L827 HydrophobicContact CE1-CB 4.19Å; F801-L827 HydrophobicContact CE1-CD1 3.79Å; F801-L827 HydrophobicContact CE1-CG 4.37Å; F801-L827 HydrophobicContact CE2-CD1 3.2Å; F801-L827 HydrophobicContact CE2-CG 4.27Å; F801-L827 HydrophobicContact CG-CD1 3.97Å; F801-L827 HydrophobicContact CZ-CB 4.31Å; F801-L827 HydrophobicContact CZ-CD1 3.36Å; F801-L827 HydrophobicContact CZ-CG 4.01Å; V807-L827 HydrophobicContact CG2-CD1 3.7Å; V825-L827 HydrophobicContact CG1-CD2 4.17Å; L827-P834 CarbonylContact O-C 3.58Å; L827-P834 WeakPolarHBondContact O-CA 3.48Å; L827-L835 HydrophobicContact CB-CB 4.37Å; L827-L835 PolarHBondContact O-N 2.82Å; L827-G836 PolarHBondContact N-O 3.07Å; L827-I857 HydrophobicContact CD2-CD1 3.6Å; L827-I857 HydrophobicContact CD2-CG2 4.28Å
828Y97.6Very high93.8Very high14 Ų1440.3 Ų40.36%0.05523%0.229CC..EExtended strand (participates in β ladder)trans-129.4150.3-179.2-71.1-98.6000110.8A784 K790 A791 W792 L793 I826 D832 L833 P834A784-Y828 PolarHBondContact O-OH 3.25Å; A784-Y828 VanDerWaalsContact O-OH 3.06Å; K790-Y828 HydrophobicContact CB-CD2 4.09Å; K790-Y828 HydrophobicContact CB-CE2 3.91Å; K790-Y828 HydrophobicContact CD-CD2 4.47Å; K790-Y828 HydrophobicContact CD-CE2 3.7Å; K790-Y828 HydrophobicContact CG-CD2 4.39Å; K790-Y828 HydrophobicContact CG-CE2 3.7Å; A791-Y828 PolarHBondContact O-N 3.38Å; W792-Y828 CarbonylContact C-O 3.56Å; W792-Y828 WeakPolarHBondContact CA-O 3.33Å; L793-Y828 PolarHBondContact N-O 3.22Å; I826-Y828 HydrophobicContact CB-CE2 3.84Å; I826-Y828 HydrophobicContact CG2-CD2 4.13Å; I826-Y828 HydrophobicContact CG2-CE2 3.46Å; I826-Y828 VanDerWaalsContact CG2-CE2 3.46Å; I826-Y828 WeakPolarHBondContact O-CD2 3.38Å; Y828-D832 WeakPolarHBondContact CD1-O 3.4Å; Y828-L833 CarbonylContact C-O 3.58Å; Y828-L833 WeakPolarHBondContact CA-O 3.28Å; Y828-P834 HydrophobicContact CD1-CB 4.36Å; Y828-P834 HydrophobicContact CD1-CG 4.14Å; Y828-P834 HydrophobicContact CE1-CB 4.05Å; Y828-P834 HydrophobicContact CE1-CG 3.59Å
829S95.2Very high94Very high4 Ų435 Ų353%0.02820%0.2CC..  trans-70.3172.216672.40000110.4W792 E798 N831 D832 L833W792-S829 VanDerWaalsContact CD1-O 3.25Å; E798-S829 WeakPolarHBondContact OE2-CB 3.43Å; S829-N831 PolarHBondContact O-N 3.49Å; S829-N831 VanDerWaalsContact O-N 3.09Å; S829-N831 PolarHBondContact OG-N 2.82Å; S829-N831 VanDerWaalsContact OG-N 3.14Å; S829-D832 PolarHBondContact O-N 3.12Å; S829-L833 PolarHBondContact N-O 2.96Å; S829-L833 VanDerWaalsContact OG-CB 3.3Å; S829-L833 WeakPolarHBondContact OG-CB 3.22Å; S829-L833 PolarHBondContact OG-N 3.33Å
830S90.2Very high94.1Very high63 Ų6335 Ų3544%0.44120%0.2SC..THydrogen-bonded Turntrans-60-17.5171.157.80000113.8
831N91.6Very high94.2Very high136 Ų13633.7 Ų33.773%0.72719%0.191SC*.THydrogen-bonded Turntrans-105.226.2-177.4-57.6-11.3000112S829 L833S829-N831 PolarHBondContact O-N 3.49Å; S829-N831 VanDerWaalsContact O-N 3.09Å; S829-N831 PolarHBondContact OG-N 2.82Å; S829-N831 VanDerWaalsContact OG-N 3.14Å; N831-L833 PolarHBondContact O-N 3.27Å; N831-L833 VanDerWaalsContact O-N 3.13Å
832D92.3Very high94.2Very high104 Ų10433.6 Ų33.656%0.55619%0.185SC*.SBendtrans59.423.9178.3-67.2-54.2000115.1W792 Y828 S829 P834W792-D832 PolarHBondContact NE1-OD1 3.48Å; Y828-D832 WeakPolarHBondContact CD1-O 3.4Å; S829-D832 PolarHBondContact O-N 3.12Å; D832-P834 WeakPolarHBondContact O-CD 3.14Å
833L93.9Very high94.3Very high96 Ų9629.5 Ų29.550%0.50317%0.166SC..  trans-84.8123.1172.6-172.769.9000110.1Y828 S829 N831 L835Y828-L833 CarbonylContact C-O 3.58Å; Y828-L833 WeakPolarHBondContact CA-O 3.28Å; S829-L833 PolarHBondContact N-O 2.96Å; S829-L833 VanDerWaalsContact OG-CB 3.3Å; S829-L833 WeakPolarHBondContact OG-CB 3.22Å; S829-L833 PolarHBondContact OG-N 3.33Å; N831-L833 PolarHBondContact O-N 3.27Å; N831-L833 VanDerWaalsContact O-N 3.13Å; L833-L835 PolarHBondContact O-N 3.01Å
834P96.4Very high94.3Very high37 Ų3729.3 Ų29.324%0.2416%0.163CC..EExtended strand (participates in β ladder)trans-61.4125173.1-16.727.2000111.2L780 A784 L827 Y828 D832L780-P834 HydrophobicContact CD1-CB 4.01Å; L780-P834 HydrophobicContact CD2-CB 3.84Å; L780-P834 HydrophobicContact CG-CB 3.85Å; A784-P834 HydrophobicContact CB-CB 3.91Å; A784-P834 HydrophobicContact CB-CG 3.82Å; L827-P834 CarbonylContact O-C 3.58Å; L827-P834 WeakPolarHBondContact O-CA 3.48Å; Y828-P834 HydrophobicContact CD1-CB 4.36Å; Y828-P834 HydrophobicContact CD1-CG 4.14Å; Y828-P834 HydrophobicContact CE1-CB 4.05Å; Y828-P834 HydrophobicContact CE1-CG 3.59Å; D832-P834 WeakPolarHBondContact O-CD 3.14Å
835L96Very high94.1Very high0 Ų032.7 Ų32.70%019%0.192CC..EExtended strand (participates in β ladder)trans-102.9-26.9-178-61.4177.4000113.3L793 E798 F801 L802 L827 L833 D862 I863L793-L835 HydrophobicContact CD1-CD1 4.01Å; L793-L835 HydrophobicContact CG-CD1 4.43Å; E798-L835 HydrophobicContact CB-CD1 4.22Å; E798-L835 HydrophobicContact CG-CD1 3.75Å; E798-L835 HydrophobicContact CG-CD2 4.26Å; F801-L835 HydrophobicContact CD1-CB 4.16Å; F801-L835 HydrophobicContact CE1-CB 4.07Å; L802-L835 HydrophobicContact CD2-CB 4.48Å; L802-L835 HydrophobicContact CD2-CD2 4.36Å; L827-L835 HydrophobicContact CB-CB 4.37Å; L827-L835 PolarHBondContact O-N 2.82Å; L833-L835 PolarHBondContact O-N 3.01Å; L835-D862 CarbonylContact O-C 3.11Å; L835-D862 WeakPolarHBondContact O-CA 3.49Å; L835-I863 HydrophobicContact CD2-CD1 3.82Å; L835-I863 WeakPolarHBondContact O-CG2 3.25Å; L835-I863 PolarHBondContact O-N 3.06Å
836G95.4Very high93.9Very high0 Ų037.3 Ų37.30%021%0.213CC..EExtended strand (participates in β ladder)trans161.3-169.4-176.200000115.3I826 L827 C861I826-G836 WeakPolarHBondContact CA-O 3.46Å; L827-G836 PolarHBondContact N-O 3.07Å; G836-C861 CarbonylContact C-O 3.57Å; G836-C861 WeakPolarHBondContact CA-O 3.37Å
837F94.7Very high93.5Very high2 Ų237.4 Ų37.41%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-108.1137.1-179.3-56.7-83.3000110.5F713 L775 I777 A779 L780 I783 I826 Q860 C861F713-F837 AromaticContact CD1-CD1 3.91Å; F713-F837 HydrophobicContact CD1-CD1 3.91Å; F713-F837 HydrophobicContact CE1-CB 3.87Å; F713-F837 AromaticContact CE1-CD1 3.82Å; F713-F837 HydrophobicContact CE1-CD1 3.82Å; F713-F837 HydrophobicContact CE1-CG 4.33Å; F713-F837 HydrophobicContact CG-CD1 4.34Å; F713-F837 HydrophobicContact CZ-CB 4.06Å; F713-F837 HydrophobicContact CZ-CD1 4.18Å; L775-F837 HydrophobicContact CD1-CD1 4.42Å; L775-F837 HydrophobicContact CD1-CE1 4.34Å; I777-F837 HydrophobicContact CD1-CD2 4.45Å; I777-F837 HydrophobicContact CD1-CE2 4.41Å; A779-F837 HydrophobicContact CB-CZ 4.11Å; L780-F837 HydrophobicContact CB-CE2 3.93Å; L780-F837 HydrophobicContact CB-CZ 3.93Å; L780-F837 HydrophobicContact CD1-CE1 4.19Å; L780-F837 HydrophobicContact CD1-CE2 4.17Å; L780-F837 HydrophobicContact CD1-CZ 3.96Å; I783-F837 HydrophobicContact CB-CE1 4.05Å; I783-F837 HydrophobicContact CB-CZ 4.35Å; I783-F837 HydrophobicContact CD1-CE1 3.87Å; I783-F837 HydrophobicContact CD1-CZ 3.93Å; I783-F837 HydrophobicContact CG2-CE1 3.93Å; I826-F837 HydrophobicContact CD1-CD1 3.16Å; I826-F837 HydrophobicContact CD1-CE1 3.39Å; I826-F837 HydrophobicContact CD1-CG 4.2Å; F837-Q860 HydrophobicContact CB-CB 4.22Å; F837-Q860 WeakPolarHBondContact O-CB 3.39Å; F837-Q860 PolarHBondContact O-N 3.43Å; F837-C861 HydrophobicContact CB-CB 4.48Å; F837-C861 HydrophobicContact CD2-CB 3.99Å; F837-C861 PolarHBondContact N-O 3.04Å; F837-C861 PolarHBondContact O-N 3.02Å
838G94.5Very high93.1Very high0 Ų045.4 Ų45.40%024%0.244CC..EExtended strand (participates in β ladder)trans-139.1168.5172.400000113.4G824 V825 L858G824-G838 WeakPolarHBondContact CA-O 3.38Å; V825-G838 PolarHBondContact N-O 3.45Å; V825-G838 PolarHBondContact O-N 3.09Å; G838-L858 CarbonylContact C-O 3.59Å; G838-L858 WeakPolarHBondContact CA-O 3.39Å
839I94.9Very high92.7Very high29 Ų2949.1 Ų49.115%0.14928%0.277CS..EExtended strand (participates in β ladder)trans-117.9124.9172-64.1173.2000108.8A823 T841 I857 L858 Q860A823-I839 CarbonylContact O-C 3.19Å; A823-I839 VanDerWaalsContact O-CA 3.31Å; A823-I839 WeakPolarHBondContact O-CA 3.46Å; I839-T841 PolarHBondContact O-N 3.19Å; I839-I857 CarbonylContact O-C 3.58Å; I839-I857 WeakPolarHBondContact O-CA 3.33Å; I839-L858 HydrophobicContact CB-CB 4.44Å; I839-L858 PolarHBondContact N-O 2.81Å; I839-L858 PolarHBondContact O-N 3.35Å; I839-Q860 VanDerWaalsContact CD1-CD 3.49Å; I839-Q860 HydrophobicContact CD1-CG 3.85Å; I839-Q860 HydrophobicContact CG1-CG 3.72Å
840A94.7Very high92.4Very high0 Ų049.7 Ų49.70%028%0.281CS..EExtended strand (participates in β ladder)trans-67.6126176.200000110.8V819 N822 A823 V825 V856V819-A840 HydrophobicContact CG1-CB 3.74Å; N822-A840 VanDerWaalsContact CA-O 3.3Å; N822-A840 WeakPolarHBondContact CA-O 3.35Å; N822-A840 PolarHBondContact N-O 2.75Å; A823-A840 PolarHBondContact O-N 3.3Å; V825-A840 HydrophobicContact CG2-CB 3.98Å; A840-V856 WeakPolarHBondContact CA-O 3.43Å
841T94.5Very high92.5Very high35 Ų3552 Ų5222%0.21529%0.288CS..SBendtrans-87.1-16.7176.156.20000112.7T821 I839 L855 V856 L858T821-T841 WeakPolarHBondContact CG2-O 3.35Å; I839-T841 PolarHBondContact O-N 3.19Å; T841-L855 HydrophobicContact CG2-CD2 4.25Å; T841-L855 HydrophobicContact CG2-CG 4.48Å; T841-L855 PolarHBondContact OG1-O 3.07Å; T841-V856 PolarHBondContact N-O 3.34Å; T841-V856 WeakPolarHBondContact OG1-CA 3.2Å; T841-V856 PolarHBondContact OG1-O 3.43Å; T841-V856 VanDerWaalsContact OG1-O 3.1Å; T841-L858 HydrophobicContact CG2-CD1 3.89Å; T841-L858 HydrophobicContact CG2-CD2 4.25Å; T841-L858 HydrophobicContact CG2-CG 3.57Å
842K91.6Very high92.4Very high58 Ų5849.5 Ų49.525%0.25228%0.28SS..SBendtrans-138147.5-176.9-69.1-173.3-177.3-169.70108.9Q846 S854K842-Q846 HydrophobicContact CB-CB 3.83Å; K842-Q846 HydrophobicContact CD-CB 4.46Å; K842-Q846 HydrophobicContact CG-CB 4.39Å; K842-S854 PolarHBondContact NZ-OG 3.35Å
843S93Very high92.4Very high29 Ų2949.9 Ų49.920%0.20329%0.286CS..  trans-66.2164.7173.371.60000111.7V819 T821 A845 Q846 C847V819-S843 CarbonylContact O-C 3.52Å; V819-S843 WeakPolarHBondContact O-CA 3.43Å; V819-S843 WeakPolarHBondContact O-CB 3.26Å; T821-S843 PolarHBondContact OG1-N 3.41Å; S843-A845 PolarHBondContact O-N 3.45Å; S843-Q846 PolarHBondContact O-N 2.88Å; S843-Q846 VanDerWaalsContact O-N 3.12Å; S843-Q846 WeakPolarHBondContact OG-CG 3.31Å; S843-Q846 PolarHBondContact OG-N 3.3Å; S843-C847 WeakPolarHBondContact O-CB 3.23Å; S843-C847 PolarHBondContact O-N 3.37Å; S843-C847 PolarHBondContact O-SG 3.47Å; S843-C847 VanDerWaalsContact O-SG 3.35Å
844T91.3Very high92.4Very high7 Ų746.2 Ų46.24%0.04327%0.269CS..Hα-helixtrans-54.8-41.3176.3-580000112I815 T816 V819 C847 R848I815-T844 HydrophobicContact CG2-CG2 4.07Å; T816-T844 PolarHBondContact O-OG1 3.27Å; V819-T844 WeakPolarHBondContact CB-OG1 3.45Å; V819-T844 PolarHBondContact N-OG1 3.08Å; V819-T844 PolarHBondContact O-N 3.02Å; T844-C847 PolarHBondContact O-N 2.96Å; T844-R848 WeakPolarHBondContact O-CG 3.34Å; T844-R848 PolarHBondContact O-N 3.33Å; T844-R848 VanDerWaalsContact O-N 3.13Å
845A89.5Confident92.3Very high73 Ų7347.7 Ų47.760%0.60327%0.274SS*.Hα-helixtrans-64.1-45.9176.600000112.2S843 C847 R848 A849S843-A845 PolarHBondContact O-N 3.45Å; A845-C847 VanDerWaalsContact C-N 3.33Å; A845-C847 PolarHBondContact O-N 2.89Å; A845-R848 WeakPolarHBondContact O-CB 3.36Å; A845-R848 PolarHBondContact O-N 3.24Å; A845-R848 VanDerWaalsContact O-N 3.12Å; A845-A849 PolarHBondContact O-N 2.84Å
846Q91Very high92.2Very high97 Ų9747.7 Ų47.745%0.45327%0.274SS..Hα-helixtrans-65.2-36.8176.6-71.8173-1900112.2T821 K842 S843 R848 A849 S850T821-Q846 PolarHBondContact OG1-OE1 3.24Å; K842-Q846 HydrophobicContact CB-CB 3.83Å; K842-Q846 HydrophobicContact CD-CB 4.46Å; K842-Q846 HydrophobicContact CG-CB 4.39Å; S843-Q846 PolarHBondContact O-N 2.88Å; S843-Q846 VanDerWaalsContact O-N 3.12Å; S843-Q846 WeakPolarHBondContact OG-CG 3.31Å; S843-Q846 PolarHBondContact OG-N 3.3Å; Q846-R848 PolarHBondContact O-N 2.72Å; Q846-A849 PolarHBondContact O-N 2.9Å; Q846-S850 VanDerWaalsContact O-CB 3.29Å; Q846-S850 WeakPolarHBondContact O-CB 3.03Å; Q846-S850 PolarHBondContact O-N 3Å; Q846-S850 PolarHBondContact O-OG 3.33Å
847C88.7Confident92.3Very high1 Ų147.7 Ų47.71%0.00727%0.274CS..Hα-helixtrans-64.8-25.1174.3-76.40000112.5K809 S843 T844 A845 S850 V856K809-C847 WeakPolarHBondContact CD-O 3.4Å; K809-C847 WeakPolarHBondContact CE-O 3.47Å; K809-C847 PolarHBondContact NZ-O 3.38Å; S843-C847 WeakPolarHBondContact O-CB 3.23Å; S843-C847 PolarHBondContact O-N 3.37Å; S843-C847 PolarHBondContact O-SG 3.47Å; S843-C847 VanDerWaalsContact O-SG 3.35Å; T844-C847 PolarHBondContact O-N 2.96Å; A845-C847 VanDerWaalsContact C-N 3.33Å; A845-C847 PolarHBondContact O-N 2.89Å; C847-S850 WeakPolarHBondContact CA-OG 3.26Å; C847-S850 PolarHBondContact O-OG 2.87Å; C847-V856 HydrophobicContact CB-CG1 4.45Å
848R87.4Confident92.3Very high169 Ų16950.1 Ų50.164%0.63829%0.287SS*.Hα-helixtrans-77.9-35.9175.5-72175-173.2176.43111.7D817 T844 A845 Q846D817-R848 IonicContact OD1-CZ 3.89Å; D817-R848 IonicContact OD1-NH2 3.02Å; D817-R848 PolarHBondContact OD1-NH2 3.29Å; T844-R848 WeakPolarHBondContact O-CG 3.34Å; T844-R848 PolarHBondContact O-N 3.33Å; T844-R848 VanDerWaalsContact O-N 3.13Å; A845-R848 WeakPolarHBondContact O-CB 3.36Å; A845-R848 PolarHBondContact O-N 3.24Å; A845-R848 VanDerWaalsContact O-N 3.12Å; Q846-R848 PolarHBondContact O-N 2.72Å
849A89.3Confident92.3Very high91 Ų9150.9 Ų50.975%0.75229%0.291SS*.Hα-helixtrans-86.4-9.518000000114.5A845 Q846A845-A849 PolarHBondContact O-N 2.84Å; Q846-A849 PolarHBondContact O-N 2.9Å
850S89.4Confident92.1Very high17 Ų1753.1 Ų53.112%0.11930%0.301CS..SBendtrans-81.2145.3-174.455.40000113.8Q846 C847Q846-S850 VanDerWaalsContact O-CB 3.29Å; Q846-S850 WeakPolarHBondContact O-CB 3.03Å; Q846-S850 PolarHBondContact O-N 3Å; Q846-S850 PolarHBondContact O-OG 3.33Å; C847-S850 WeakPolarHBondContact CA-OG 3.26Å; C847-S850 PolarHBondContact O-OG 2.87Å
851D91.9Very high91.9Very high110 Ų11053.3 Ų53.359%0.58830%0.302SS*.  trans-57152174.9-60.2-59.2000113.1K809 T853 S854K809-D851 WeakPolarHBondContact CB-O 3.18Å; D851-T853 PolarHBondContact O-N 3.09Å; D851-S854 WeakPolarHBondContact O-CB 3.43Å; D851-S854 PolarHBondContact O-N 2.98Å; D851-S854 PolarHBondContact O-OG 2.67Å
852P90Very high91.8Very high85 Ų8551.7 Ų51.755%0.55229%0.292SS*.THydrogen-bonded Turntrans-55.9-27.5179.9-26.234.6000114.7S810S810-P852 VanDerWaalsContact CB-O 3.22Å; S810-P852 WeakPolarHBondContact CB-O 3.5Å; S810-P852 PolarHBondContact N-O 2.91Å; S810-P852 PolarHBondContact OG-O 3.38Å
853T92.1Very high91.9Very high112 Ų11251.2 Ų51.269%0.68729%0.292SS*.THydrogen-bonded Turntrans-86.2-5.7178.854.10000113.4D851 L855D851-T853 PolarHBondContact O-N 3.09Å; T853-L855 PolarHBondContact O-N 3.44Å
854S93.4Very high91.8Very high19 Ų1950.2 Ų50.213%0.13329%0.286CS..SBendtrans-65.2132.4178-76.90000111.7L808 K809 K842 D851 V856L808-S854 CarbonylContact C-O 3.53Å; L808-S854 WeakPolarHBondContact CA-O 3.3Å; K809-S854 PolarHBondContact N-O 3.09Å; K842-S854 PolarHBondContact NZ-OG 3.35Å; D851-S854 WeakPolarHBondContact O-CB 3.43Å; D851-S854 PolarHBondContact O-N 2.98Å; D851-S854 PolarHBondContact O-OG 2.67Å; S854-V856 PolarHBondContact O-N 2.65Å
855L94.1Very high91.6Very high67 Ų6752.1 Ų52.135%0.35129%0.294SS..EExtended strand (participates in β ladder)trans-65.5123.7167.1-166.774.9000110.2H806 L808 T841 T853 L858H806-L855 HydrophobicContact CB-CD1 3.34Å; H806-L855 HydrophobicContact CB-CG 4.46Å; L808-L855 HydrophobicContact CD2-CB 4.34Å; L808-L855 HydrophobicContact CD2-CD1 3.89Å; T841-L855 HydrophobicContact CG2-CD2 4.25Å; T841-L855 HydrophobicContact CG2-CG 4.48Å; T841-L855 PolarHBondContact OG1-O 3.07Å; T853-L855 PolarHBondContact O-N 3.44Å; L855-L858 HydrophobicContact CD2-CD2 3.72Å
856V95.3Very high91.4Very high1 Ų153.8 Ų53.81%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-117.1-29.5-177.7-68.90000113.6V807 K809 L812 A840 T841 C847 S854V807-V856 HydrophobicContact CG1-CG2 4.22Å; V807-V856 VanDerWaalsContact O-CG2 3.25Å; V807-V856 WeakPolarHBondContact O-CG2 3.46Å; V807-V856 PolarHBondContact O-N 2.89Å; K809-V856 HydrophobicContact CB-CG1 3.8Å; K809-V856 HydrophobicContact CD-CG1 4.35Å; L812-V856 HydrophobicContact CD2-CG2 4.34Å; A840-V856 WeakPolarHBondContact CA-O 3.43Å; T841-V856 PolarHBondContact N-O 3.34Å; T841-V856 WeakPolarHBondContact OG1-CA 3.2Å; T841-V856 PolarHBondContact OG1-O 3.43Å; T841-V856 VanDerWaalsContact OG1-O 3.1Å; C847-V856 HydrophobicContact CB-CG1 4.45Å; S854-V856 PolarHBondContact O-N 2.65Å
857I96.4Very high91.1Very high0 Ų056.5 Ų56.50%030%0.302CS..EExtended strand (participates in β ladder)trans-138.8124.5178.6-52.4175.7000110.1A791 H806 V807 L812 L827 I839A791-I857 HydrophobicContact CB-CD1 3.62Å; H806-I857 WeakPolarHBondContact CB-O 3.5Å; V807-I857 HydrophobicContact CB-CB 4.04Å; V807-I857 HydrophobicContact CG2-CB 4.33Å; V807-I857 PolarHBondContact N-O 3.31Å; V807-I857 PolarHBondContact O-N 3.27Å; L812-I857 HydrophobicContact CD1-CD1 4.22Å; L827-I857 HydrophobicContact CD2-CD1 3.6Å; L827-I857 HydrophobicContact CD2-CG2 4.28Å; I839-I857 CarbonylContact O-C 3.58Å; I839-I857 WeakPolarHBondContact O-CA 3.33Å
858L95.5Very high91Very high53 Ų5361.1 Ų61.128%0.27732%0.319SS..EExtended strand (participates in β ladder)trans-78.7122.6169.5-66.1168.7000109.4G838 I839 T841 L855 Q860G838-L858 CarbonylContact C-O 3.59Å; G838-L858 WeakPolarHBondContact CA-O 3.39Å; I839-L858 HydrophobicContact CB-CB 4.44Å; I839-L858 PolarHBondContact N-O 2.81Å; I839-L858 PolarHBondContact O-N 3.35Å; T841-L858 HydrophobicContact CG2-CD1 3.89Å; T841-L858 HydrophobicContact CG2-CD2 4.25Å; T841-L858 HydrophobicContact CG2-CG 3.57Å; L855-L858 HydrophobicContact CD2-CD2 3.72Å; L858-Q860 PolarHBondContact O-N 3.08Å
859N93.9Very high90.6Very high15 Ų1556.2 Ų56.28%0.0831%0.306CS..EExtended strand (participates in β ladder)trans-62127.5169.7-174.2-21.6000109.4F801 G804 N805 H806 C861 D862F801-N859 HydrophobicContact CD2-CB 4.1Å; F801-N859 HydrophobicContact CE2-CB 3.58Å; F801-N859 WeakPolarHBondContact CE2-ND2 2.99Å; F801-N859 HydrophobicContact CZ-CB 4.47Å; F801-N859 PolarHBondContact O-ND2 2.81Å; G804-N859 WeakPolarHBondContact CA-ND2 3.47Å; N805-N859 WeakPolarHBondContact O-CB 3.04Å; N805-N859 PolarHBondContact O-ND2 2.84Å; H806-N859 PolarHBondContact ND1-N 3.34Å; N859-C861 PolarHBondContact OD1-N 2.9Å; N859-D862 PolarHBondContact ND2-OD2 3.24Å
860Q91.2Very high89.7Confident76 Ų7658.4 Ų58.436%0.35530%0.3SS..EExtended strand (participates in β ladder)trans-104.2-40.6170.3-67.5-66.9-76.500111.6F837 I839 L858F837-Q860 HydrophobicContact CB-CB 4.22Å; F837-Q860 WeakPolarHBondContact O-CB 3.39Å; F837-Q860 PolarHBondContact O-N 3.43Å; I839-Q860 VanDerWaalsContact CD1-CD 3.49Å; I839-Q860 HydrophobicContact CD1-CG 3.85Å; I839-Q860 HydrophobicContact CG1-CG 3.72Å; L858-Q860 PolarHBondContact O-N 3.08Å
861C89.7Confident88.7Confident4 Ų465.9 Ų65.93%0.02733%0.333CS..EExtended strand (participates in β ladder)trans-167140-177.2-177.60000109.1I777 G836 F837 N859 Q865I777-C861 WeakPolarHBondContact CA-SG 3.35Å; I777-C861 WeakPolarHBondContact CB-SG 3.41Å; I777-C861 PolarHBondContact N-SG 3.2Å; G836-C861 CarbonylContact C-O 3.57Å; G836-C861 WeakPolarHBondContact CA-O 3.37Å; F837-C861 HydrophobicContact CB-CB 4.48Å; F837-C861 HydrophobicContact CD2-CB 3.99Å; F837-C861 PolarHBondContact N-O 3.04Å; F837-C861 PolarHBondContact O-N 3.02Å; N859-C861 PolarHBondContact OD1-N 2.9Å; C861-Q865 PolarHBondContact SG-OE1 3.48Å
862D92.8Very high87.5Confident1 Ų165.3 Ų65.31%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-142.5156.1-175.864.588.2000111.7F801 L802 L835 N859 G864 Q865 R868F801-D862 HydrophobicContact CD1-CB 3.94Å; F801-D862 HydrophobicContact CE1-CB 3.39Å; F801-D862 HydrophobicContact CZ-CB 3.79Å; L802-D862 HydrophobicContact CD2-CB 4.39Å; L835-D862 CarbonylContact O-C 3.11Å; L835-D862 WeakPolarHBondContact O-CA 3.49Å; N859-D862 PolarHBondContact ND2-OD2 3.24Å; D862-G864 PolarHBondContact O-N 2.93Å; D862-G864 VanDerWaalsContact O-N 3.13Å; D862-G864 VanDerWaalsContact OD1-CA 3.28Å; D862-G864 WeakPolarHBondContact OD1-CA 3.36Å; D862-G864 PolarHBondContact OD1-N 3.39Å; D862-Q865 VanDerWaalsContact O-CB 3.26Å; D862-Q865 WeakPolarHBondContact O-CB 3.44Å; D862-Q865 WeakPolarHBondContact O-CG 3.29Å; D862-Q865 PolarHBondContact O-N 3.19Å; D862-R868 VanDerWaalsContact CG-NH2 3.26Å; D862-R868 IonicContact OD1-CZ 3.7Å; D862-R868 IonicContact OD1-NH1 3.04Å; D862-R868 PolarHBondContact OD1-NH1 2.83Å; D862-R868 IonicContact OD1-NH2 2.73Å; D862-R868 PolarHBondContact OD1-NH2 2.83Å; D862-R868 IonicContact OD2-CZ 2.66Å; D862-R868 IonicContact OD2-NH1 2.67Å; D862-R868 IonicContact OD2-NH2 3.35Å; D862-R868 PolarHBondContact OD2-NH2 3.13Å
863I92.9Very high86.3Confident49 Ų4962.3 Ų62.325%0.25131%0.307SS..THydrogen-bonded Turntrans-62.6-18.5-178.361.1175000113.3I777 L780 L802 L835 Q865 Y866I777-I863 HydrophobicContact CD1-CG2 3.88Å; I777-I863 HydrophobicContact CG1-CB 4.47Å; I777-I863 HydrophobicContact CG1-CG2 3.93Å; L780-I863 HydrophobicContact CD2-CG2 3.68Å; L802-I863 HydrophobicContact CD2-CD1 4.08Å; L802-I863 HydrophobicContact CD2-CG1 3.32Å; L835-I863 HydrophobicContact CD2-CD1 3.82Å; L835-I863 WeakPolarHBondContact O-CG2 3.25Å; L835-I863 PolarHBondContact O-N 3.06Å; I863-Q865 PolarHBondContact O-N 3.01Å; I863-Y866 WeakPolarHBondContact O-CD2 3.4Å; I863-Y866 PolarHBondContact O-N 3.11Å
864G91Very high84.4Confident8 Ų861.2 Ų61.28%0.08230%0.303CS..THydrogen-bonded Turntrans-65.7-17.4171.600000113.1D862 Y866 I867 R868D862-G864 PolarHBondContact O-N 2.93Å; D862-G864 VanDerWaalsContact O-N 3.13Å; D862-G864 VanDerWaalsContact OD1-CA 3.28Å; D862-G864 WeakPolarHBondContact OD1-CA 3.36Å; D862-G864 PolarHBondContact OD1-N 3.39Å; G864-Y866 PolarHBondContact O-N 3.38Å; G864-I867 PolarHBondContact O-N 2.7Å; G864-R868 VanDerWaalsContact C-NH1 3.33Å; G864-R868 WeakPolarHBondContact O-CG 3.46Å; G864-R868 PolarHBondContact O-N 3.15Å; G864-R868 VanDerWaalsContact O-N 3.09Å
865Q88.2Confident83.9Confident46 Ų4663.4 Ų63.422%0.21531%0.312CS..Hα-helixtrans-60-27.5174.4-72.8-173.8-2.900113.4C861 D862 I863 I867 R868 D869 V873C861-Q865 PolarHBondContact SG-OE1 3.48Å; D862-Q865 VanDerWaalsContact O-CB 3.26Å; D862-Q865 WeakPolarHBondContact O-CB 3.44Å; D862-Q865 WeakPolarHBondContact O-CG 3.29Å; D862-Q865 PolarHBondContact O-N 3.19Å; I863-Q865 PolarHBondContact O-N 3.01Å; Q865-I867 PolarHBondContact O-N 2.98Å; Q865-R868 PolarHBondContact O-N 2.73Å; Q865-D869 CarbonylContact O-C 3.57Å; Q865-D869 PolarHBondContact O-N 3.18Å; Q865-V873 HydrophobicContact CB-CG2 4.16Å
866Y85.2Confident83.4Confident108 Ų10863.2 Ų63.242%0.42431%0.31SS..Hα-helixtrans-57.9-29.3174-77.6-69.2000112.8I777 T778 I863 G864 V873I777-Y866 HydrophobicContact CG1-CE2 4.13Å; I777-Y866 HydrophobicContact CG2-CD2 4.15Å; I777-Y866 HydrophobicContact CG2-CE1 4.26Å; I777-Y866 HydrophobicContact CG2-CE2 3.61Å; T778-Y866 HydrophobicContact CG2-CE1 4.5Å; T778-Y866 WeakPolarHBondContact CG2-OH 3.42Å; I863-Y866 WeakPolarHBondContact O-CD2 3.4Å; I863-Y866 PolarHBondContact O-N 3.11Å; G864-Y866 PolarHBondContact O-N 3.38Å; Y866-V873 HydrophobicContact CD1-CG1 3.56Å; Y866-V873 HydrophobicContact CE1-CG1 3.37Å; Y866-V873 HydrophobicContact CG-CG1 4.45Å
867I83.7Confident82.7Confident154 Ų15466.6 Ų66.679%0.7933%0.326SS*.Hα-helixtrans-94.3-37.9179.1-57.2174.1000110.6G864 Q865G864-I867 PolarHBondContact O-N 2.7Å; Q865-I867 PolarHBondContact O-N 2.98Å
868R87Confident81.9Confident99 Ų9970.5 Ų70.537%0.37435%0.346SS..Hα-helixtrans-81.8-25.6-173.2-60.2-168.7-48.8-91.2-0.2114.2L802 D862 G864 Q865L802-R868 PolarHBondContact O-NH1 3.13Å; D862-R868 VanDerWaalsContact CG-NH2 3.26Å; D862-R868 IonicContact OD1-CZ 3.7Å; D862-R868 IonicContact OD1-NH1 3.04Å; D862-R868 PolarHBondContact OD1-NH1 2.83Å; D862-R868 IonicContact OD1-NH2 2.73Å; D862-R868 PolarHBondContact OD1-NH2 2.83Å; D862-R868 IonicContact OD2-CZ 2.66Å; D862-R868 IonicContact OD2-NH1 2.67Å; D862-R868 IonicContact OD2-NH2 3.35Å; D862-R868 PolarHBondContact OD2-NH2 3.13Å; G864-R868 VanDerWaalsContact C-NH1 3.33Å; G864-R868 WeakPolarHBondContact O-CG 3.46Å; G864-R868 PolarHBondContact O-N 3.15Å; G864-R868 VanDerWaalsContact O-N 3.09Å; Q865-R868 PolarHBondContact O-N 2.73Å
869D80.1Confident81Confident66 Ų6671.6 Ų71.635%0.35335%0.35SS..  trans-148.251.7-172.3-165.59.7000111.1Q865 E871 H872 V873Q865-D869 CarbonylContact O-C 3.57Å; Q865-D869 PolarHBondContact O-N 3.18Å; D869-E871 PolarHBondContact O-N 2.71Å; D869-H872 PolarHBondContact O-N 2.86Å; D869-H872 WeakPolarHBondContact OD1-CB 3.25Å; D869-H872 IonicContact OD1-CG 3.59Å; D869-H872 IonicContact OD1-ND1 2.9Å; D869-H872 PolarHBondContact OD1-ND1 2.91Å; D869-H872 WeakPolarHBondContact OD2-CB 3.49Å; D869-H872 IonicContact OD2-CG 2.89Å; D869-H872 IonicContact OD2-ND1 2.7Å; D869-V873 WeakPolarHBondContact O-CG2 3.23Å; D869-V873 PolarHBondContact O-N 2.75Å; D869-V873 VanDerWaalsContact O-N 3.16Å
870E69.5Low80.2Confident137 Ų13775.4 Ų75.464%0.6437%0.368SS*.Hα-helixtrans-54.9-38.7-177.5-169.8178.3-17600112H872 V873 C874E870-H872 PolarHBondContact O-N 2.9Å; E870-V873 PolarHBondContact O-N 3.27Å; E870-C874 WeakPolarHBondContact O-CB 3.29Å; E870-C874 PolarHBondContact O-N 3.13Å
871E68.3Low79.4Confident173 Ų17375.4 Ų75.481%0.80837%0.369SS*.Hα-helixtrans-63.8-34.4-178.1-166.2179.2-176.100113.3D869D869-E871 PolarHBondContact O-N 2.71Å
872H67.7Low78.6Confident99 Ų9980.8 Ų80.846%0.45840%0.395SS..Hα-helixtrans-88.9-25.5177.6-78.684.7000114.1R737 D869 E870R737-H872 PolarHBondContact NH2-O 2.9Å; D869-H872 PolarHBondContact O-N 2.86Å; D869-H872 WeakPolarHBondContact OD1-CB 3.25Å; D869-H872 IonicContact OD1-CG 3.59Å; D869-H872 IonicContact OD1-ND1 2.9Å; D869-H872 PolarHBondContact OD1-ND1 2.91Å; D869-H872 WeakPolarHBondContact OD2-CB 3.49Å; D869-H872 IonicContact OD2-CG 2.89Å; D869-H872 IonicContact OD2-ND1 2.7Å; E870-H872 PolarHBondContact O-N 2.9Å
873V63.5Low77.4Confident21 Ų2187.5 Ų87.513%0.12743%0.428CS..Hα-helixtrans-79.4-37.4-178.9177.80000110.9I777 T778 Q865 Y866 D869 E870I777-V873 HydrophobicContact CG2-CG1 3.85Å; I777-V873 HydrophobicContact CG2-CG2 4.45Å; T778-V873 HydrophobicContact CG2-CG1 4.35Å; Q865-V873 HydrophobicContact CB-CG2 4.16Å; Y866-V873 HydrophobicContact CD1-CG1 3.56Å; Y866-V873 HydrophobicContact CE1-CG1 3.37Å; Y866-V873 HydrophobicContact CG-CG1 4.45Å; D869-V873 WeakPolarHBondContact O-CG2 3.23Å; D869-V873 PolarHBondContact O-N 2.75Å; D869-V873 VanDerWaalsContact O-N 3.16Å; E870-V873 PolarHBondContact O-N 3.27Å
874C52Low76Confident90 Ų9091 Ų9161%0.60844%0.444SS*.  trans-75.50170.6-67.40000111.2R737 N759 E870R737-C874 PolarHBondContact NH1-O 3.06Å; R737-C874 PolarHBondContact NH1-OXT 3.02Å; R737-C874 PolarHBondContact NH2-OXT 2.98Å; N759-C874 PolarHBondContact ND2-O 3.04Å; E870-C874 WeakPolarHBondContact O-CB 3.29Å; E870-C874 PolarHBondContact O-N 3.13Å

Retrieved 874 of 874 residues in 5620.1 ms (Link to these results)

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