A0A077Z477_TRITR Loading...

Heat shock protein 40

AlphaFold DB , UniProt , Accession A0A077Z477, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 329 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
1M49.8Very low83Confident248 Ų24869.5 Ų69.5100%1.22240%0.396SS*.  0113.40-84.9177.5172.400106.1
2G66.3Low83.6Confident56 Ų5672.7 Ų72.758%0.57741%0.411SS*.  trans-64.6155.9177.600000111.6E69G2-E69 VanDerWaalsContact CA-OE2 3.27Å; G2-E69 WeakPolarHBondContact CA-OE2 3.39Å
3K77.2Confident83.9Confident82 Ų8279 Ų7936%0.35742%0.424SS..  trans-64.3138.6175.2-64.8176.6-171.4160.40109.6Y5 E50 Y64 E69K3-Y5 HydrophobicContact CB-CE1 4.3Å; K3-Y5 HydrophobicContact CD-CE1 4.25Å; K3-E50 VanDerWaalsContact NZ-CD 3.27Å; K3-E50 IonicContact NZ-OE1 2.89Å; K3-E50 PolarHBondContact NZ-OE1 3.26Å; K3-E50 IonicContact NZ-OE2 2.82Å; K3-E50 PolarHBondContact NZ-OE2 2.89Å; K3-Y64 PolarHBondContact O-OH 3.09Å; K3-E69 PolarHBondContact N-OE2 3.45Å
4D87.5Confident84.2Confident49 Ų4983.7 Ų83.726%0.26245%0.449SS..  trans-9595171.1-166.7-29.6000109.7Y6 K7 V8 R13 Y64D4-Y6 PolarHBondContact O-N 3.18Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.45Å; D4-Y6 PolarHBondContact OD1-N 3.07Å; D4-Y6 VanDerWaalsContact OD1-N 3.14Å; D4-K7 HydrophobicContact CB-CB 3.91Å; D4-K7 WeakPolarHBondContact O-CB 3.49Å; D4-K7 PolarHBondContact O-N 3.05Å; D4-K7 PolarHBondContact OD1-N 3.22Å; D4-V8 WeakPolarHBondContact O-CG2 3.42Å; D4-V8 PolarHBondContact O-N 3.47Å; D4-R13 IonicContact OD2-CZ 3.01Å; D4-R13 IonicContact OD2-NE 3.44Å; D4-R13 IonicContact OD2-NH2 2.58Å; D4-R13 PolarHBondContact OD2-NH2 3.14Å; D4-Y64 WeakPolarHBondContact CA-OH 3.4Å
5Y90.2Very high84.4Confident1 Ų178.5 Ų78.50%0.00442%0.422CS..Hα-helixtrans-60.4-29.2-177.9-66-50.6000113.4K3 K7 V8 L9 E50 A51 V54 Y64 L72K3-Y5 HydrophobicContact CB-CE1 4.3Å; K3-Y5 HydrophobicContact CD-CE1 4.25Å; Y5-K7 VanDerWaalsContact C-N 3.34Å; Y5-V8 PolarHBondContact O-N 3.26Å; Y5-L9 PolarHBondContact O-N 3.26Å; Y5-L9 VanDerWaalsContact O-N 3.08Å; Y5-E50 HydrophobicContact CE1-CB 4.38Å; Y5-E50 HydrophobicContact CE1-CG 3.83Å; Y5-E50 PolarHBondContact OH-OE1 2.89Å; Y5-A51 VanDerWaalsContact CD1-CA 3.44Å; Y5-A51 HydrophobicContact CD1-CB 3.64Å; Y5-A51 HydrophobicContact CG-CB 4.08Å; Y5-V54 HydrophobicContact CD2-CB 3.93Å; Y5-V54 HydrophobicContact CD2-CG1 3.79Å; Y5-V54 HydrophobicContact CD2-CG2 4.18Å; Y5-V54 HydrophobicContact CE2-CB 3.96Å; Y5-V54 HydrophobicContact CE2-CG1 3.91Å; Y5-V54 HydrophobicContact CE2-CG2 3.68Å; Y5-Y64 HydrophobicContact CD2-CD1 4.33Å; Y5-Y64 AromaticContact CD2-CD2 3.64Å; Y5-Y64 HydrophobicContact CD2-CD2 3.64Å; Y5-Y64 HydrophobicContact CD2-CE1 4.01Å; Y5-Y64 AromaticContact CD2-CE2 3.27Å; Y5-Y64 HydrophobicContact CD2-CE2 3.27Å; Y5-Y64 HydrophobicContact CD2-CG 4.16Å; Y5-Y64 AromaticContact CD2-CZ 3.48Å; Y5-Y64 VanDerWaalsContact CD2-CZ 3.48Å; Y5-Y64 AromaticContact CE2-CD2 3.76Å; Y5-Y64 HydrophobicContact CE2-CD2 3.76Å; Y5-Y64 AromaticContact CE2-CE2 3.58Å; Y5-Y64 HydrophobicContact CE2-CE2 3.58Å; Y5-Y64 HydrophobicContact CG-CE2 4.28Å; Y5-Y64 PolarHBondContact N-OH 2.73Å; Y5-L72 HydrophobicContact CE2-CD1 4.04Å
6Y91.1Very high84.7Confident5 Ų578.3 Ų78.32%0.0242%0.424CS..Hα-helixtrans-66.8-40.4174.8-65-80.8000110.8D4 L9 G10 I11 D12 R13 L55 K61 Y64 D65D4-Y6 PolarHBondContact O-N 3.18Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.45Å; D4-Y6 PolarHBondContact OD1-N 3.07Å; D4-Y6 VanDerWaalsContact OD1-N 3.14Å; Y6-L9 CarbonylContact O-C 3.47Å; Y6-L9 PolarHBondContact O-N 3.4Å; Y6-G10 PolarHBondContact O-N 2.73Å; Y6-I11 HydrophobicContact CD1-CD1 4.34Å; Y6-I11 HydrophobicContact CD1-CG1 4.18Å; Y6-I11 PolarHBondContact O-N 2.73Å; Y6-D12 WeakPolarHBondContact CD1-O 3.45Å; Y6-R13 HydrophobicContact CD1-CG 4.45Å; Y6-R13 HydrophobicContact CD2-CB 4.45Å; Y6-R13 HydrophobicContact CD2-CG 3.78Å; Y6-R13 WeakPolarHBondContact CE1-O 3.39Å; Y6-R13 HydrophobicContact CE2-CB 4.42Å; Y6-R13 HydrophobicContact CE2-CG 4.13Å; Y6-R13 HydrophobicContact CG-CB 4.48Å; Y6-R13 HydrophobicContact CG-CG 3.94Å; Y6-L55 HydrophobicContact CD1-CD1 3.85Å; Y6-L55 HydrophobicContact CD1-CD2 4.33Å; Y6-L55 HydrophobicContact CD2-CD2 4.36Å; Y6-L55 HydrophobicContact CE1-CD1 4.05Å; Y6-L55 HydrophobicContact CE1-CD2 3.77Å; Y6-L55 HydrophobicContact CE2-CD2 3.83Å; Y6-L55 HydrophobicContact CG-CD1 4.11Å; Y6-L55 VanDerWaalsContact CZ-CD2 3.49Å; Y6-K61 WeakPolarHBondContact OH-CE 3.47Å; Y6-Y64 AromaticContact CD2-CE1 4Å; Y6-Y64 HydrophobicContact CD2-CE1 4Å; Y6-Y64 HydrophobicContact CE2-CD1 4.18Å; Y6-Y64 AromaticContact CE2-CE1 3.71Å; Y6-Y64 HydrophobicContact CE2-CE1 3.71Å; Y6-D65 VanDerWaalsContact CE2-OD1 3.27Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.43Å; Y6-D65 VanDerWaalsContact OH-CG 3.23Å; Y6-D65 PolarHBondContact OH-OD1 3.22Å; Y6-D65 PolarHBondContact OH-OD2 3.38Å; Y6-D65 VanDerWaalsContact OH-OD2 3.05Å
7K89.9Confident84.8Confident174 Ų17479.6 Ų79.676%0.75743%0.428SS*.Hα-helixtrans-68.2-35.3175.5-165.4176.5-177.8178.60112.3D4 Y5 L9 G10D4-K7 HydrophobicContact CB-CB 3.91Å; D4-K7 WeakPolarHBondContact O-CB 3.49Å; D4-K7 PolarHBondContact O-N 3.05Å; D4-K7 PolarHBondContact OD1-N 3.22Å; Y5-K7 VanDerWaalsContact C-N 3.34Å; K7-L9 VanDerWaalsContact C-N 3.34Å; K7-G10 PolarHBondContact O-N 3.11Å
8V90.1Very high84.7Confident40 Ų4084.1 Ų84.124%0.24245%0.445CS..Hα-helixtrans-61.8-43.1174.1174.50000110.9D4 Y5 G10 E47 I48 A51D4-V8 WeakPolarHBondContact O-CG2 3.42Å; D4-V8 PolarHBondContact O-N 3.47Å; Y5-V8 PolarHBondContact O-N 3.26Å; V8-G10 VanDerWaalsContact C-N 3.3Å; V8-E47 HydrophobicContact CG1-CB 4.07Å; V8-I48 HydrophobicContact CG1-CG1 4.27Å; V8-A51 HydrophobicContact CB-CB 4.04Å; V8-A51 HydrophobicContact CG1-CB 3.85Å
9L89.7Confident85Confident5 Ų584.8 Ų84.83%0.02645%0.446CS..Hα-helixtrans-79.3-10.9175.6-66.4-175.9000113.8Y5 Y6 K7 I11 I20 A23 L27 I48 A51 L55Y5-L9 PolarHBondContact O-N 3.26Å; Y5-L9 VanDerWaalsContact O-N 3.08Å; Y6-L9 CarbonylContact O-C 3.47Å; Y6-L9 PolarHBondContact O-N 3.4Å; K7-L9 VanDerWaalsContact C-N 3.34Å; L9-I11 HydrophobicContact CB-CD1 3.87Å; L9-I11 HydrophobicContact CB-CG1 3.89Å; L9-I11 HydrophobicContact CD1-CD1 3.97Å; L9-I20 HydrophobicContact CD1-CG2 3.98Å; L9-A23 HydrophobicContact CB-CB 4.25Å; L9-L27 HydrophobicContact CD2-CD1 4.21Å; L9-L27 WeakPolarHBondContact O-CD1 3.49Å; L9-I48 HydrophobicContact CD2-CG2 4.12Å; L9-A51 HydrophobicContact CD1-CB 4.35Å; L9-A51 HydrophobicContact CD2-CB 4.14Å; L9-A51 HydrophobicContact CG-CB 3.87Å; L9-L55 HydrophobicContact CD1-CD1 3.91Å
10G89.7Confident85.2Confident68 Ų6880.7 Ų80.770%0.70142%0.424SS*.THydrogen-bonded Turntrans66.635.7-178.900000113.2Y6 K7 V8Y6-G10 PolarHBondContact O-N 2.73Å; K7-G10 PolarHBondContact O-N 3.11Å; V8-G10 VanDerWaalsContact C-N 3.3Å
11I92Very high85.4Confident36 Ų3680.4 Ų80.419%0.18542%0.419CS..  trans-122.4163.2-178.260.2-178.5000111Y6 L9 A15 I20 A23Y6-I11 HydrophobicContact CD1-CD1 4.34Å; Y6-I11 HydrophobicContact CD1-CG1 4.18Å; Y6-I11 PolarHBondContact O-N 2.73Å; L9-I11 HydrophobicContact CB-CD1 3.87Å; L9-I11 HydrophobicContact CB-CG1 3.89Å; L9-I11 HydrophobicContact CD1-CD1 3.97Å; I11-A15 HydrophobicContact CB-CB 4.06Å; I11-A15 HydrophobicContact CD1-CB 3.85Å; I11-A15 HydrophobicContact CG1-CB 4.17Å; I11-I20 HydrophobicContact CD1-CB 4.28Å; I11-I20 HydrophobicContact CD1-CG1 3.52Å; I11-A23 HydrophobicContact CG2-CB 3.46Å; I11-A23 VanDerWaalsContact CG2-CB 3.46Å
12D90.1Very high87.3Confident108 Ų10876.1 Ų76.158%0.57839%0.394SS*.  trans-75.1156.2174.4-165.5-87.2000111.5Y6 N14 A15Y6-D12 WeakPolarHBondContact CD1-O 3.45Å; D12-N14 PolarHBondContact O-N 3.1Å; D12-N14 WeakPolarHBondContact OD1-CB 3.27Å; D12-N14 PolarHBondContact OD1-N 3.33Å; D12-A15 WeakPolarHBondContact O-CB 3.37Å; D12-A15 PolarHBondContact O-N 2.97Å
13R87.7Confident88.5Confident155 Ų15574.1 Ų74.159%0.58537%0.372SS*.THydrogen-bonded Turntrans-63.5-26.8177.1-66.3-171.2175.6-168.3-2.9112.6D4 Y6 A15D4-R13 IonicContact OD2-CZ 3.01Å; D4-R13 IonicContact OD2-NE 3.44Å; D4-R13 IonicContact OD2-NH2 2.58Å; D4-R13 PolarHBondContact OD2-NH2 3.14Å; Y6-R13 HydrophobicContact CD1-CG 4.45Å; Y6-R13 HydrophobicContact CD2-CB 4.45Å; Y6-R13 HydrophobicContact CD2-CG 3.78Å; Y6-R13 WeakPolarHBondContact CE1-O 3.39Å; Y6-R13 HydrophobicContact CE2-CB 4.42Å; Y6-R13 HydrophobicContact CE2-CG 4.13Å; Y6-R13 HydrophobicContact CG-CB 4.48Å; Y6-R13 HydrophobicContact CG-CG 3.94Å; R13-A15 PolarHBondContact O-N 2.71Å
14N87.2Confident89.1Confident145 Ų14570.2 Ų70.278%0.77536%0.355SS*.THydrogen-bonded Turntrans-85.411.7175.9-62.5-34000113.4D12 T16D12-N14 PolarHBondContact O-N 3.1Å; D12-N14 WeakPolarHBondContact OD1-CB 3.27Å; D12-N14 PolarHBondContact OD1-N 3.33Å; N14-T16 PolarHBondContact O-N 2.92Å
15A87.5Confident89.2Confident5 Ų574.6 Ų74.64%0.04137%0.368CS..  trans-60.7136.2-179.400000112.4I11 D12 R13 E19 I20 K61I11-A15 HydrophobicContact CB-CB 4.06Å; I11-A15 HydrophobicContact CD1-CB 3.85Å; I11-A15 HydrophobicContact CG1-CB 4.17Å; D12-A15 WeakPolarHBondContact O-CB 3.37Å; D12-A15 PolarHBondContact O-N 2.97Å; R13-A15 PolarHBondContact O-N 2.71Å; A15-E19 WeakPolarHBondContact CA-OE2 3.28Å; A15-E19 HydrophobicContact CB-CB 4.18Å; A15-I20 HydrophobicContact CB-CG1 4.21Å; A15-K61 PolarHBondContact O-NZ 2.93Å
16T89Confident89.2Confident75 Ų7582.3 Ų82.346%0.4640%0.401SS..  trans-71.1160.6173.6600000111.4N14 E18 E19 I20N14-T16 PolarHBondContact O-N 2.92Å; T16-E18 PolarHBondContact O-N 3.27Å; T16-E19 PolarHBondContact N-OE2 3.49Å; T16-E19 PolarHBondContact O-N 3.47Å; T16-E19 VanDerWaalsContact O-N 3.08Å; T16-E19 VanDerWaalsContact OG1-CD 3.28Å; T16-E19 VanDerWaalsContact OG1-CG 3.27Å; T16-E19 WeakPolarHBondContact OG1-CG 3.49Å; T16-E19 PolarHBondContact OG1-N 2.9Å; T16-E19 PolarHBondContact OG1-OE2 3.39Å; T16-I20 WeakPolarHBondContact O-CG1 3.48Å; T16-I20 PolarHBondContact O-N 3.14Å
17E86.4Confident89.1Confident102 Ų10283.7 Ų83.748%0.47741%0.409SS..Hα-helixtrans-56.2-37.4177.2-166.3-168.6151.800112.2I20 K21E17-I20 PolarHBondContact O-N 3.3Å; E17-K21 HydrophobicContact CG-CD 4.44Å; E17-K21 WeakPolarHBondContact O-CB 3.3Å; E17-K21 WeakPolarHBondContact O-CG 3.48Å; E17-K21 PolarHBondContact O-N 3.05Å; E17-K21 WeakPolarHBondContact OE1-CE 3.36Å; E17-K21 IonicContact OE1-NZ 3.15Å; E17-K21 PolarHBondContact OE1-NZ 3.47Å
18E84.1Confident89Confident160 Ų16075.4 Ų75.475%0.74837%0.373SS*.Hα-helixtrans-66-39.6176.9-64.3-165.8162.600112.4T16 K21 K22T16-E18 PolarHBondContact O-N 3.27Å; E18-K21 PolarHBondContact O-N 3.42Å; E18-K22 VanDerWaalsContact O-CB 3.24Å; E18-K22 WeakPolarHBondContact O-CB 3.31Å; E18-K22 PolarHBondContact O-N 3.35Å
19E88.8Confident88.8Confident98 Ų9875.3 Ų75.346%0.45837%0.371SS..Hα-helixtrans-67.8-39.9176.9-72.6166.9145.800111.6A15 T16 K22 A23A15-E19 WeakPolarHBondContact CA-OE2 3.28Å; A15-E19 HydrophobicContact CB-CB 4.18Å; T16-E19 PolarHBondContact N-OE2 3.49Å; T16-E19 PolarHBondContact O-N 3.47Å; T16-E19 VanDerWaalsContact O-N 3.08Å; T16-E19 VanDerWaalsContact OG1-CD 3.28Å; T16-E19 VanDerWaalsContact OG1-CG 3.27Å; T16-E19 WeakPolarHBondContact OG1-CG 3.49Å; T16-E19 PolarHBondContact OG1-N 2.9Å; T16-E19 PolarHBondContact OG1-OE2 3.39Å; E19-K22 PolarHBondContact O-N 2.99Å; E19-A23 VanDerWaalsContact O-CB 3.3Å; E19-A23 WeakPolarHBondContact O-CB 3.34Å; E19-A23 PolarHBondContact O-N 3.39Å
20I90.2Very high88.6Confident1 Ų181.2 Ų81.21%0.00540%0.396CS..Hα-helixtrans-59.8-50.3174-67.5162.3000110L9 I11 A15 T16 E17 K22 A23 Y24 Y52 L55 K61L9-I20 HydrophobicContact CD1-CG2 3.98Å; I11-I20 HydrophobicContact CD1-CB 4.28Å; I11-I20 HydrophobicContact CD1-CG1 3.52Å; A15-I20 HydrophobicContact CB-CG1 4.21Å; T16-I20 WeakPolarHBondContact O-CG1 3.48Å; T16-I20 PolarHBondContact O-N 3.14Å; E17-I20 PolarHBondContact O-N 3.3Å; I20-K22 VanDerWaalsContact C-N 3.32Å; I20-K22 PolarHBondContact O-N 2.67Å; I20-A23 PolarHBondContact O-N 3.14Å; I20-Y24 WeakPolarHBondContact O-CB 2.88Å; I20-Y24 PolarHBondContact O-N 3.26Å; I20-Y52 HydrophobicContact CG2-CD2 3.95Å; I20-Y52 HydrophobicContact CG2-CE2 4.26Å; I20-L55 HydrophobicContact CD1-CB 4.22Å; I20-L55 HydrophobicContact CG2-CB 4.02Å; I20-K61 HydrophobicContact CD1-CD 4.38Å
21K89.6Confident88.4Confident76 Ų7678.8 Ų78.833%0.3337%0.367SS..Hα-helixtrans-60.1-40.9176.7-75.6174170.4169.30112.2E17 E18 R25 Y52 F103E17-K21 HydrophobicContact CG-CD 4.44Å; E17-K21 WeakPolarHBondContact O-CB 3.3Å; E17-K21 WeakPolarHBondContact O-CG 3.48Å; E17-K21 PolarHBondContact O-N 3.05Å; E17-K21 WeakPolarHBondContact OE1-CE 3.36Å; E17-K21 IonicContact OE1-NZ 3.15Å; E17-K21 PolarHBondContact OE1-NZ 3.47Å; E18-K21 PolarHBondContact O-N 3.42Å; K21-R25 WeakPolarHBondContact O-CB 3.5Å; K21-R25 PolarHBondContact O-N 3.07Å; K21-Y52 HydrophobicContact CB-CE2 4.5Å; K21-Y52 HydrophobicContact CG-CE2 3.81Å; K21-F103 HydrophobicContact CB-CE2 4.24Å; K21-F103 HydrophobicContact CG-CE2 4.21Å
22K89.5Confident88.1Confident158 Ų15877.8 Ų77.869%0.68736%0.361SS*.Hα-helixtrans-67.9-41.5179-173.4177.4-179.7-179.80111.9E18 E19 I20 K26E18-K22 VanDerWaalsContact O-CB 3.24Å; E18-K22 WeakPolarHBondContact O-CB 3.31Å; E18-K22 PolarHBondContact O-N 3.35Å; E19-K22 PolarHBondContact O-N 2.99Å; I20-K22 VanDerWaalsContact C-N 3.32Å; I20-K22 PolarHBondContact O-N 2.67Å; K22-K26 PolarHBondContact O-N 3.35Å; K22-K26 VanDerWaalsContact O-N 3.08Å
23A90.2Very high87.6Confident14 Ų1474.2 Ų74.212%0.11634%0.344CS..Hα-helixtrans-65.1-48.3176.300000111.3L9 I11 E19 I20 R25 K26 L27L9-A23 HydrophobicContact CB-CB 4.25Å; I11-A23 HydrophobicContact CG2-CB 3.46Å; I11-A23 VanDerWaalsContact CG2-CB 3.46Å; E19-A23 VanDerWaalsContact O-CB 3.3Å; E19-A23 WeakPolarHBondContact O-CB 3.34Å; E19-A23 PolarHBondContact O-N 3.39Å; I20-A23 PolarHBondContact O-N 3.14Å; A23-R25 PolarHBondContact O-N 3.16Å; A23-K26 PolarHBondContact O-N 3.35Å; A23-L27 WeakPolarHBondContact O-CB 3.42Å; A23-L27 WeakPolarHBondContact O-CG 3.39Å; A23-L27 PolarHBondContact O-N 3.13Å
24Y91Very high87.1Confident0 Ų072.2 Ų72.20%035%0.345CS..Hα-helixtrans-55.6-50.8174.2175.4-107.2000111.2I20 K26 L27 A28 I48 A49 Y52 F100 F103I20-Y24 WeakPolarHBondContact O-CB 2.88Å; I20-Y24 PolarHBondContact O-N 3.26Å; Y24-K26 VanDerWaalsContact C-N 3.3Å; Y24-K26 PolarHBondContact O-N 3.06Å; Y24-L27 PolarHBondContact O-N 2.98Å; Y24-A28 HydrophobicContact CD2-CB 4.35Å; Y24-A28 HydrophobicContact CE1-CB 4.28Å; Y24-A28 HydrophobicContact CE2-CB 4.01Å; Y24-A28 WeakPolarHBondContact O-CB 3.02Å; Y24-A28 PolarHBondContact O-N 3.3Å; Y24-I48 HydrophobicContact CD2-CG2 3.55Å; Y24-I48 HydrophobicContact CE2-CG2 3.83Å; Y24-A49 HydrophobicContact CE2-CB 4.47Å; Y24-Y52 VanDerWaalsContact CB-CD2 3.43Å; Y24-Y52 AromaticContact CD1-CD1 3.92Å; Y24-Y52 HydrophobicContact CD1-CD1 3.92Å; Y24-Y52 AromaticContact CD1-CD2 3.98Å; Y24-Y52 HydrophobicContact CD1-CD2 3.98Å; Y24-Y52 HydrophobicContact CD1-CE1 4.19Å; Y24-Y52 HydrophobicContact CD1-CE2 4.24Å; Y24-Y52 AromaticContact CD1-CG 3.81Å; Y24-Y52 HydrophobicContact CD1-CG 3.81Å; Y24-Y52 HydrophobicContact CD2-CD1 4.16Å; Y24-Y52 HydrophobicContact CD2-CD2 4.16Å; Y24-Y52 AromaticContact CD2-CG 3.6Å; Y24-Y52 HydrophobicContact CD2-CG 3.6Å; Y24-Y52 HydrophobicContact CE1-CD1 4.01Å; Y24-Y52 HydrophobicContact CE1-CE1 4.31Å; Y24-Y52 HydrophobicContact CE1-CG 4.3Å; Y24-Y52 HydrophobicContact CE2-CD1 4.24Å; Y24-Y52 HydrophobicContact CE2-CG 4.1Å; Y24-Y52 AromaticContact CG-CD1 4Å; Y24-Y52 HydrophobicContact CG-CD1 4Å; Y24-Y52 AromaticContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CE2 4.25Å; Y24-Y52 AromaticContact CG-CG 3.43Å; Y24-Y52 HydrophobicContact CG-CG 3.43Å; Y24-Y52 VanDerWaalsContact CG-CG 3.43Å; Y24-F100 WeakPolarHBondContact OH-CA 3.15Å; Y24-F103 HydrophobicContact CD1-CD1 4.06Å; Y24-F103 AromaticContact CD1-CD2 3.74Å; Y24-F103 HydrophobicContact CD1-CD2 3.74Å; Y24-F103 HydrophobicContact CD1-CE1 4.09Å; Y24-F103 AromaticContact CD1-CE2 3.77Å; Y24-F103 HydrophobicContact CD1-CE2 3.77Å; Y24-F103 AromaticContact CD1-CG 3.88Å; Y24-F103 HydrophobicContact CD1-CG 3.88Å; Y24-F103 AromaticContact CD1-CZ 3.95Å; Y24-F103 HydrophobicContact CD1-CZ 3.95Å; Y24-F103 HydrophobicContact CE1-CB 3.86Å; Y24-F103 AromaticContact CE1-CD1 3.85Å; Y24-F103 HydrophobicContact CE1-CD1 3.85Å; Y24-F103 AromaticContact CE1-CD2 3.84Å; Y24-F103 HydrophobicContact CE1-CD2 3.84Å; Y24-F103 HydrophobicContact CE1-CE1 4.34Å; Y24-F103 HydrophobicContact CE1-CE2 4.32Å; Y24-F103 AromaticContact CE1-CG 3.57Å; Y24-F103 HydrophobicContact CE1-CG 3.57Å
25R89.1Confident86.5Confident141 Ų14171.9 Ų71.953%0.53234%0.336SS..Hα-helixtrans-54-46177.7-175.3-179.5-68.1-173.4-1.4112.2K21 A23 L29 F103 F104K21-R25 WeakPolarHBondContact O-CB 3.5Å; K21-R25 PolarHBondContact O-N 3.07Å; A23-R25 PolarHBondContact O-N 3.16Å; R25-L29 HydrophobicContact CG-CD1 4.21Å; R25-L29 WeakPolarHBondContact O-CB 3.4Å; R25-L29 WeakPolarHBondContact O-CD1 3.4Å; R25-L29 VanDerWaalsContact O-CG 3.24Å; R25-L29 WeakPolarHBondContact O-CG 3.5Å; R25-L29 PolarHBondContact O-N 2.78Å; R25-F103 HydrophobicContact CB-CE1 3.89Å; R25-F103 HydrophobicContact CB-CZ 3.96Å; R25-F103 HydrophobicContact CG-CE1 4.15Å; R25-F104 HydrophobicContact CG-CE1 4.11Å; R25-F104 HydrophobicContact CG-CZ 3.99Å
26K89.6Confident86Confident163 Ų16373.8 Ų73.871%0.70935%0.346SS*.Hα-helixtrans-66.9-42.6-178.5-173.9-179.9178.8-176.80111.9K22 A23 Y24 K30K22-K26 PolarHBondContact O-N 3.35Å; K22-K26 VanDerWaalsContact O-N 3.08Å; A23-K26 PolarHBondContact O-N 3.35Å; Y24-K26 VanDerWaalsContact C-N 3.3Å; Y24-K26 PolarHBondContact O-N 3.06Å; K26-K30 WeakPolarHBondContact O-CB 3.39Å; K26-K30 PolarHBondContact O-N 2.96Å
27L90Very high85.5Confident33 Ų3379.3 Ų79.317%0.17336%0.363CS..Hα-helixtrans-78.3-42.3-176.5-71.6173.3000112.4L9 A23 Y24 L29 K30 F31 I48L9-L27 HydrophobicContact CD2-CD1 4.21Å; L9-L27 WeakPolarHBondContact O-CD1 3.49Å; A23-L27 WeakPolarHBondContact O-CB 3.42Å; A23-L27 WeakPolarHBondContact O-CG 3.39Å; A23-L27 PolarHBondContact O-N 3.13Å; Y24-L27 PolarHBondContact O-N 2.98Å; L27-L29 VanDerWaalsContact C-N 3.31Å; L27-L29 PolarHBondContact O-N 2.81Å; L27-K30 WeakPolarHBondContact O-CB 3.4Å; L27-K30 PolarHBondContact O-N 2.87Å; L27-F31 HydrophobicContact CD2-CD2 4.35Å; L27-F31 HydrophobicContact CD2-CE2 4Å; L27-F31 WeakPolarHBondContact O-CD2 3.19Å; L27-F31 PolarHBondContact O-N 2.94Å; L27-I48 HydrophobicContact CB-CD1 3.73Å; L27-I48 HydrophobicContact CB-CG1 4.09Å; L27-I48 HydrophobicContact CB-CG2 3.93Å; L27-I48 HydrophobicContact CD1-CG1 4.46Å
28A88.1Confident85.2Confident0 Ų076.1 Ų76.10%035%0.353CS..Hα-helixtrans-58-43.2176.200000111.2Y24 K30 H32 F45 F100 F104Y24-A28 HydrophobicContact CD2-CB 4.35Å; Y24-A28 HydrophobicContact CE1-CB 4.28Å; Y24-A28 HydrophobicContact CE2-CB 4.01Å; Y24-A28 WeakPolarHBondContact O-CB 3.02Å; Y24-A28 PolarHBondContact O-N 3.3Å; A28-K30 VanDerWaalsContact C-N 3.32Å; A28-K30 PolarHBondContact O-N 3.16Å; A28-H32 WeakPolarHBondContact O-CA 3.35Å; A28-H32 WeakPolarHBondContact O-CB 3.36Å; A28-H32 PolarHBondContact O-N 2.88Å; A28-F45 HydrophobicContact CB-CE2 4.08Å; A28-F100 HydrophobicContact CB-CD2 4.11Å; A28-F100 HydrophobicContact CB-CE2 4.16Å; A28-F104 HydrophobicContact CB-CE2 4.4Å
29L85.9Confident85Confident38 Ų3875.1 Ų75.120%0.19936%0.36CS..Hα-helixtrans-70.6-25.7175.1-67.6174000113.6R25 L27 F104 P109 Y110R25-L29 HydrophobicContact CG-CD1 4.21Å; R25-L29 WeakPolarHBondContact O-CB 3.4Å; R25-L29 WeakPolarHBondContact O-CD1 3.4Å; R25-L29 VanDerWaalsContact O-CG 3.24Å; R25-L29 WeakPolarHBondContact O-CG 3.5Å; R25-L29 PolarHBondContact O-N 2.78Å; L27-L29 VanDerWaalsContact C-N 3.31Å; L27-L29 PolarHBondContact O-N 2.81Å; L29-F104 HydrophobicContact CD1-CE1 4.39Å; L29-F104 HydrophobicContact CD1-CZ 4.28Å; L29-F104 HydrophobicContact CD2-CE1 4.18Å; L29-F104 HydrophobicContact CD2-CZ 3.9Å; L29-F104 HydrophobicContact CG-CE1 4.37Å; L29-F104 HydrophobicContact CG-CZ 3.88Å; L29-P109 HydrophobicContact CD2-CG 3.83Å; L29-Y110 HydrophobicContact CD2-CE1 4.45Å; L29-Y110 HydrophobicContact CD2-CE2 4.1Å
30K84.7Confident84.6Confident129 Ų12973.5 Ų73.556%0.56135%0.354SS*.Hα-helixtrans-79.3-38.1179.2-176.8177.2177.3-178.20112K26 L27 A28K26-K30 WeakPolarHBondContact O-CB 3.39Å; K26-K30 PolarHBondContact O-N 2.96Å; L27-K30 WeakPolarHBondContact O-CB 3.4Å; L27-K30 PolarHBondContact O-N 2.87Å; A28-K30 VanDerWaalsContact C-N 3.32Å; A28-K30 PolarHBondContact O-N 3.16Å
31F85.6Confident84.2Confident18 Ų1873.5 Ų73.58%0.07935%0.354CS..Hα-helixtrans-106.18.2-176.1-67.4-76.4000113.6L27 R44 I48L27-F31 HydrophobicContact CD2-CD2 4.35Å; L27-F31 HydrophobicContact CD2-CE2 4Å; L27-F31 WeakPolarHBondContact O-CD2 3.19Å; L27-F31 PolarHBondContact O-N 2.94Å; F31-R44 HydrophobicContact CB-CB 4.38Å; F31-R44 HydrophobicContact CD1-CB 4Å; F31-R44 HydrophobicContact CE1-CB 4.48Å; F31-R44 HydrophobicContact CG-CB 4.1Å; F31-I48 HydrophobicContact CB-CD1 3.99Å; F31-I48 HydrophobicContact CD2-CD1 3.53Å; F31-I48 HydrophobicContact CE2-CD1 4.37Å; F31-I48 HydrophobicContact CG-CD1 4.04Å
32H84.9Confident83.8Confident14 Ų1476.8 Ų76.87%0.06537%0.371CS..  trans-56.1130.1176.1-162.8-91.9000110.7A28 D34 K35 N36 F45 F100A28-H32 WeakPolarHBondContact O-CA 3.35Å; A28-H32 WeakPolarHBondContact O-CB 3.36Å; A28-H32 PolarHBondContact O-N 2.88Å; H32-D34 IonicContact CE1-OD2 3.4Å; H32-D34 PolarHBondContact CE1-OD2 3.15Å; H32-D34 PolarHBondContact ND1-N 2.92Å; H32-D34 IonicContact ND1-OD2 3.28Å; H32-D34 PolarHBondContact O-N 3Å; H32-D34 VanDerWaalsContact O-N 3.13Å; H32-K35 PolarHBondContact O-N 2.96Å; H32-N36 PolarHBondContact O-N 2.85Å; H32-F45 AromaticContact CD2-CE2 3.77Å; H32-F45 AromaticContact CD2-CZ 3.85Å; H32-F100 AromaticContact CD2-CE1 3.9Å; H32-F100 AromaticContact CD2-CE2 3.57Å; H32-F100 AromaticContact CD2-CZ 3.44Å; H32-F100 VanDerWaalsContact CD2-CZ 3.44Å; H32-F100 WeakPolarHBondContact CD2-CZ 3.27Å; H32-F100 AromaticContact NE2-CE1 3.67Å; H32-F100 AromaticContact NE2-CZ 3.72Å
33P81Confident83.6Confident34 Ų3472 Ų7222%0.22136%0.361CS..THydrogen-bonded Turntrans-59.1-30.2-173.221.5-33.7000113.3K35P33-K35 VanDerWaalsContact C-N 3.33Å; P33-K35 PolarHBondContact O-N 3.24Å
34D77.3Confident83.4Confident113 Ų11376.9 Ų76.960%0.60438%0.376SS*.THydrogen-bonded Turntrans-71.8-26.6179.3-64.1-12.3000113.3H32H32-D34 IonicContact CE1-OD2 3.4Å; H32-D34 PolarHBondContact CE1-OD2 3.15Å; H32-D34 PolarHBondContact ND1-N 2.92Å; H32-D34 IonicContact ND1-OD2 3.28Å; H32-D34 PolarHBondContact O-N 3Å; H32-D34 VanDerWaalsContact O-N 3.13Å
35K74.3Confident83.2Confident138 Ų13877.2 Ų77.260%0.638%0.378SS*.THydrogen-bonded Turntrans-99.3-40.9-178.2-172.9177.2-178.1179.30112.1H32 P33 Y110H32-K35 PolarHBondContact O-N 2.96Å; P33-K35 VanDerWaalsContact C-N 3.33Å; P33-K35 PolarHBondContact O-N 3.24Å; K35-Y110 PolarHBondContact NZ-OH 3.26Å
36N77.1Confident83.2Confident44 Ų4474.4 Ų74.424%0.23537%0.369CS..  trans-107.6104.4-179.4-1713.5000109.5H32 S38 A41H32-N36 PolarHBondContact O-N 2.85Å; N36-S38 PolarHBondContact ND2-OG 3.28Å; N36-S38 PolarHBondContact O-N 2.76Å; N36-S38 VanDerWaalsContact OD1-CB 3.32Å; N36-S38 WeakPolarHBondContact OD1-CB 3.32Å; N36-S38 PolarHBondContact OD1-N 2.87Å; N36-S38 VanDerWaalsContact OD1-N 3.13Å; N36-S38 PolarHBondContact OD1-OG 2.84Å; N36-A41 HydrophobicContact CB-CB 3.9Å; N36-A41 WeakPolarHBondContact O-CB 3.35Å
37K77.6Confident83.2Confident191 Ų19170.7 Ų70.783%0.8335%0.354SS*.  trans-86.313.1178.7-59.9-175.6179.8-177.10113.1
38S80.1Confident83.2Confident36 Ų3669.3 Ų69.325%0.25235%0.347SS..SBendtrans-66.7142.5174.870.60000109.7N36 D40 A41N36-S38 PolarHBondContact ND2-OG 3.28Å; N36-S38 PolarHBondContact O-N 2.76Å; N36-S38 VanDerWaalsContact OD1-CB 3.32Å; N36-S38 WeakPolarHBondContact OD1-CB 3.32Å; N36-S38 PolarHBondContact OD1-N 2.87Å; N36-S38 VanDerWaalsContact OD1-N 3.13Å; N36-S38 PolarHBondContact OD1-OG 2.84Å; S38-D40 WeakPolarHBondContact CB-OD1 3.46Å; S38-D40 PolarHBondContact O-N 2.8Å; S38-D40 VanDerWaalsContact O-N 3.07Å; S38-D40 PolarHBondContact OG-OD1 2.87Å; S38-A41 VanDerWaalsContact O-CB 3.28Å; S38-A41 WeakPolarHBondContact O-CB 3.27Å; S38-A41 PolarHBondContact O-N 2.9Å
39P79.9Confident83.2Confident138 Ų13869.3 Ų69.390%0.89635%0.347SS*.THydrogen-bonded Turntrans-62.6-18.5-17624-33.6000113.3
40D81.4Confident83.3Confident64 Ų6468 Ų6834%0.34234%0.34SS..THydrogen-bonded Turntrans-92.5-7.2176.668.5-36.1000114.1S38 R44S38-D40 WeakPolarHBondContact CB-OD1 3.46Å; S38-D40 PolarHBondContact O-N 2.8Å; S38-D40 VanDerWaalsContact O-N 3.07Å; S38-D40 PolarHBondContact OG-OD1 2.87Å; D40-R44 WeakPolarHBondContact O-CB 3.47Å; D40-R44 WeakPolarHBondContact O-CG 3.28Å; D40-R44 PolarHBondContact O-N 3.34Å; D40-R44 IonicContact OD2-CZ 2.73Å; D40-R44 IonicContact OD2-NE 2.68Å; D40-R44 PolarHBondContact OD2-NE 3.38Å; D40-R44 IonicContact OD2-NH2 3.75Å
41A81.6Confident83.6Confident1 Ų161.8 Ų61.81%0.00831%0.313CS..Hα-helixtrans-64.7-45.5-17500000112.5N36 S38 R44 F45N36-A41 HydrophobicContact CB-CB 3.9Å; N36-A41 WeakPolarHBondContact O-CB 3.35Å; S38-A41 VanDerWaalsContact O-CB 3.28Å; S38-A41 WeakPolarHBondContact O-CB 3.27Å; S38-A41 PolarHBondContact O-N 2.9Å; A41-R44 PolarHBondContact O-N 2.82Å; A41-F45 VanDerWaalsContact O-CB 3.28Å; A41-F45 WeakPolarHBondContact O-CB 3.44Å; A41-F45 PolarHBondContact O-N 3.03Å
42E81.3Confident83.8Confident146 Ų14662.5 Ų62.568%0.68232%0.316SS*.Hα-helixtrans-64.5-43.6-179.6-174.7173.7-171.600111.8F45 K46E42-F45 PolarHBondContact O-N 3.24Å; E42-K46 PolarHBondContact O-N 2.85Å
43A85Confident84Confident57 Ų5763.9 Ų63.947%0.47132%0.323SS..Hα-helixtrans-60.7-47.5176.200000111.2F45 K46 E47A43-F45 PolarHBondContact O-N 2.96Å; A43-K46 PolarHBondContact O-N 3.28Å; A43-E47 WeakPolarHBondContact O-CG 3.27Å; A43-E47 PolarHBondContact O-N 3.26Å
44R85.2Confident84.3Confident116 Ų11662.5 Ų62.544%0.43831%0.314SS..Hα-helixtrans-63.9-40.1176-73.6-173.7-175.3-141.52.2112.4F31 D40 A41 K46 E47 I48F31-R44 HydrophobicContact CB-CB 4.38Å; F31-R44 HydrophobicContact CD1-CB 4Å; F31-R44 HydrophobicContact CE1-CB 4.48Å; F31-R44 HydrophobicContact CG-CB 4.1Å; D40-R44 WeakPolarHBondContact O-CB 3.47Å; D40-R44 WeakPolarHBondContact O-CG 3.28Å; D40-R44 PolarHBondContact O-N 3.34Å; D40-R44 IonicContact OD2-CZ 2.73Å; D40-R44 IonicContact OD2-NE 2.68Å; D40-R44 PolarHBondContact OD2-NE 3.38Å; D40-R44 IonicContact OD2-NH2 3.75Å; A41-R44 PolarHBondContact O-N 2.82Å; R44-K46 VanDerWaalsContact C-N 3.28Å; R44-K46 PolarHBondContact O-N 3.24Å; R44-E47 PolarHBondContact O-N 3.41Å; R44-I48 HydrophobicContact CB-CD1 4.44Å; R44-I48 WeakPolarHBondContact O-CB 3.24Å; R44-I48 VanDerWaalsContact O-CD1 3.25Å; R44-I48 WeakPolarHBondContact O-CD1 3.39Å; R44-I48 WeakPolarHBondContact O-CG1 3.5Å; R44-I48 PolarHBondContact O-N 3.36Å
45F88.2Confident84.9Confident7 Ų757.2 Ų57.23%0.03129%0.286CS..Hα-helixtrans-60.9-41.5177.7-176.9-103.8000111.2A28 H32 A41 E42 A43 I48 A49 A96 F100A28-F45 HydrophobicContact CB-CE2 4.08Å; H32-F45 AromaticContact CD2-CE2 3.77Å; H32-F45 AromaticContact CD2-CZ 3.85Å; A41-F45 VanDerWaalsContact O-CB 3.28Å; A41-F45 WeakPolarHBondContact O-CB 3.44Å; A41-F45 PolarHBondContact O-N 3.03Å; E42-F45 PolarHBondContact O-N 3.24Å; A43-F45 PolarHBondContact O-N 2.96Å; F45-I48 PolarHBondContact O-N 3.47Å; F45-A49 WeakPolarHBondContact O-CB 3.16Å; F45-A49 PolarHBondContact O-N 3.05Å; F45-A96 HydrophobicContact CD1-CB 3.81Å; F45-A96 HydrophobicContact CE1-CB 3.7Å; F45-F100 AromaticContact CE2-CD2 3.81Å; F45-F100 HydrophobicContact CE2-CD2 3.81Å; F45-F100 HydrophobicContact CE2-CE2 4.24Å; F45-F100 HydrophobicContact CZ-CB 3.88Å; F45-F100 AromaticContact CZ-CD2 3.69Å; F45-F100 HydrophobicContact CZ-CD2 3.69Å; F45-F100 HydrophobicContact CZ-CE2 4.41Å; F45-F100 AromaticContact CZ-CG 3.95Å; F45-F100 HydrophobicContact CZ-CG 3.95Å
46K88.4Confident85.5Confident83 Ų8351.7 Ų51.736%0.36127%0.268SS..Hα-helixtrans-62-46.5174.1-169.2175.7-179.3178.10111.6E42 A43 R44 I48 A49 E50E42-K46 PolarHBondContact O-N 2.85Å; A43-K46 PolarHBondContact O-N 3.28Å; R44-K46 VanDerWaalsContact C-N 3.28Å; R44-K46 PolarHBondContact O-N 3.24Å; K46-I48 PolarHBondContact O-N 3.26Å; K46-A49 PolarHBondContact O-N 3.47Å; K46-E50 WeakPolarHBondContact O-CB 3.45Å; K46-E50 PolarHBondContact O-N 2.82Å
47E89.2Confident85.9Confident84 Ų8452.7 Ų52.739%0.39327%0.273SS..Hα-helixtrans-61.5-41.6176.6-70.4174.6-176.400112.5V8 A43 R44 A49 E50 A51V8-E47 HydrophobicContact CG1-CB 4.07Å; A43-E47 WeakPolarHBondContact O-CG 3.27Å; A43-E47 PolarHBondContact O-N 3.26Å; R44-E47 PolarHBondContact O-N 3.41Å; E47-A49 VanDerWaalsContact C-N 3.35Å; E47-E50 PolarHBondContact O-N 3.43Å; E47-A51 WeakPolarHBondContact O-CB 3.19Å; E47-A51 PolarHBondContact O-N 2.74Å
48I91Very high86.2Confident5 Ų548.7 Ų48.73%0.02626%0.258CS..Hα-helixtrans-64-41177.6-70.1156.6000110.9V8 L9 Y24 L27 F31 R44 F45 K46 Y52V8-I48 HydrophobicContact CG1-CG1 4.27Å; L9-I48 HydrophobicContact CD2-CG2 4.12Å; Y24-I48 HydrophobicContact CD2-CG2 3.55Å; Y24-I48 HydrophobicContact CE2-CG2 3.83Å; L27-I48 HydrophobicContact CB-CD1 3.73Å; L27-I48 HydrophobicContact CB-CG1 4.09Å; L27-I48 HydrophobicContact CB-CG2 3.93Å; L27-I48 HydrophobicContact CD1-CG1 4.46Å; F31-I48 HydrophobicContact CB-CD1 3.99Å; F31-I48 HydrophobicContact CD2-CD1 3.53Å; F31-I48 HydrophobicContact CE2-CD1 4.37Å; F31-I48 HydrophobicContact CG-CD1 4.04Å; R44-I48 HydrophobicContact CB-CD1 4.44Å; R44-I48 WeakPolarHBondContact O-CB 3.24Å; R44-I48 VanDerWaalsContact O-CD1 3.25Å; R44-I48 WeakPolarHBondContact O-CD1 3.39Å; R44-I48 WeakPolarHBondContact O-CG1 3.5Å; R44-I48 PolarHBondContact O-N 3.36Å; F45-I48 PolarHBondContact O-N 3.47Å; K46-I48 PolarHBondContact O-N 3.26Å; I48-Y52 WeakPolarHBondContact O-CB 3.22Å; I48-Y52 PolarHBondContact O-N 2.77Å
49A88.5Confident86.3Confident0 Ų054.7 Ų54.70%028%0.279CS..Hα-helixtrans-67.7-42.417700000112.1Y24 F45 K46 E47 Y52 D53 A96 I99Y24-A49 HydrophobicContact CE2-CB 4.47Å; F45-A49 WeakPolarHBondContact O-CB 3.16Å; F45-A49 PolarHBondContact O-N 3.05Å; K46-A49 PolarHBondContact O-N 3.47Å; E47-A49 VanDerWaalsContact C-N 3.35Å; A49-Y52 PolarHBondContact O-N 3.16Å; A49-D53 PolarHBondContact O-N 3Å; A49-A96 HydrophobicContact CB-CB 3.54Å; A49-I99 HydrophobicContact CB-CD1 4.41Å
50E87.5Confident86.6Confident9 Ų949.5 Ų49.54%0.04224%0.243CC..Hα-helixtrans-60.9-46.3174.6-168.2-172.2156.600111.2K3 Y5 K46 E47 Y52 D53 V54 F92K3-E50 VanDerWaalsContact NZ-CD 3.27Å; K3-E50 IonicContact NZ-OE1 2.89Å; K3-E50 PolarHBondContact NZ-OE1 3.26Å; K3-E50 IonicContact NZ-OE2 2.82Å; K3-E50 PolarHBondContact NZ-OE2 2.89Å; Y5-E50 HydrophobicContact CE1-CB 4.38Å; Y5-E50 HydrophobicContact CE1-CG 3.83Å; Y5-E50 PolarHBondContact OH-OE1 2.89Å; K46-E50 WeakPolarHBondContact O-CB 3.45Å; K46-E50 PolarHBondContact O-N 2.82Å; E47-E50 PolarHBondContact O-N 3.43Å; E50-Y52 VanDerWaalsContact C-N 3.31Å; E50-Y52 PolarHBondContact O-N 2.78Å; E50-D53 WeakPolarHBondContact O-CB 3.4Å; E50-D53 PolarHBondContact O-N 3.28Å; E50-V54 PolarHBondContact O-N 2.95Å; E50-V54 VanDerWaalsContact O-N 3.16Å; E50-F92 HydrophobicContact CG-CB 4.46Å
51A89.9Confident86.9Confident0 Ų047.5 Ų47.50%023%0.231CC..Hα-helixtrans-60.6-39.9177.100000112.6Y5 V8 L9 E47 L55Y5-A51 VanDerWaalsContact CD1-CA 3.44Å; Y5-A51 HydrophobicContact CD1-CB 3.64Å; Y5-A51 HydrophobicContact CG-CB 4.08Å; V8-A51 HydrophobicContact CB-CB 4.04Å; V8-A51 HydrophobicContact CG1-CB 3.85Å; L9-A51 HydrophobicContact CD1-CB 4.35Å; L9-A51 HydrophobicContact CD2-CB 4.14Å; L9-A51 HydrophobicContact CG-CB 3.87Å; E47-A51 WeakPolarHBondContact O-CB 3.19Å; E47-A51 PolarHBondContact O-N 2.74Å; A51-L55 VanDerWaalsContact O-CB 3.27Å; A51-L55 WeakPolarHBondContact O-CB 3.41Å; A51-L55 WeakPolarHBondContact O-CG 3.5Å; A51-L55 PolarHBondContact O-N 2.76Å
52Y90.4Very high87Confident33 Ų3350.9 Ų50.913%0.12925%0.249CC..Hα-helixtrans-73.1-34.6176.5179.4-102.3000113I20 K21 Y24 I48 A49 E50 V54 G56 I99 F103I20-Y52 HydrophobicContact CG2-CD2 3.95Å; I20-Y52 HydrophobicContact CG2-CE2 4.26Å; K21-Y52 HydrophobicContact CB-CE2 4.5Å; K21-Y52 HydrophobicContact CG-CE2 3.81Å; Y24-Y52 VanDerWaalsContact CB-CD2 3.43Å; Y24-Y52 AromaticContact CD1-CD1 3.92Å; Y24-Y52 HydrophobicContact CD1-CD1 3.92Å; Y24-Y52 AromaticContact CD1-CD2 3.98Å; Y24-Y52 HydrophobicContact CD1-CD2 3.98Å; Y24-Y52 HydrophobicContact CD1-CE1 4.19Å; Y24-Y52 HydrophobicContact CD1-CE2 4.24Å; Y24-Y52 AromaticContact CD1-CG 3.81Å; Y24-Y52 HydrophobicContact CD1-CG 3.81Å; Y24-Y52 HydrophobicContact CD2-CD1 4.16Å; Y24-Y52 HydrophobicContact CD2-CD2 4.16Å; Y24-Y52 AromaticContact CD2-CG 3.6Å; Y24-Y52 HydrophobicContact CD2-CG 3.6Å; Y24-Y52 HydrophobicContact CE1-CD1 4.01Å; Y24-Y52 HydrophobicContact CE1-CE1 4.31Å; Y24-Y52 HydrophobicContact CE1-CG 4.3Å; Y24-Y52 HydrophobicContact CE2-CD1 4.24Å; Y24-Y52 HydrophobicContact CE2-CG 4.1Å; Y24-Y52 AromaticContact CG-CD1 4Å; Y24-Y52 HydrophobicContact CG-CD1 4Å; Y24-Y52 AromaticContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CE2 4.25Å; Y24-Y52 AromaticContact CG-CG 3.43Å; Y24-Y52 HydrophobicContact CG-CG 3.43Å; Y24-Y52 VanDerWaalsContact CG-CG 3.43Å; I48-Y52 WeakPolarHBondContact O-CB 3.22Å; I48-Y52 PolarHBondContact O-N 2.77Å; A49-Y52 PolarHBondContact O-N 3.16Å; E50-Y52 VanDerWaalsContact C-N 3.31Å; E50-Y52 PolarHBondContact O-N 2.78Å; Y52-V54 VanDerWaalsContact C-N 3.26Å; Y52-V54 PolarHBondContact O-N 2.8Å; Y52-G56 WeakPolarHBondContact O-CA 3.41Å; Y52-G56 PolarHBondContact O-N 2.99Å; Y52-I99 HydrophobicContact CD1-CG2 3.72Å; Y52-I99 HydrophobicContact CE1-CG2 4.24Å; Y52-F103 AromaticContact CE1-CD2 3.81Å; Y52-F103 HydrophobicContact CE1-CD2 3.81Å; Y52-F103 HydrophobicContact CE1-CE2 4.4Å; Y52-F103 HydrophobicContact CE2-CD2 4.38Å; Y52-F103 HydrophobicContact CE2-CE2 4.16Å; Y52-F103 AromaticContact CZ-CD2 3.59Å; Y52-F103 AromaticContact CZ-CE2 3.77Å; Y52-F103 WeakPolarHBondContact OH-CD2 3.39Å; Y52-F103 WeakPolarHBondContact OH-CE2 3.25Å
53D88.5Confident87.1Confident43 Ų4344.8 Ų44.823%0.2322%0.221CC..Hα-helixtrans-59.5-41.1174.9-169.843.9000111.7A49 E50 K60 V94 I99A49-D53 PolarHBondContact O-N 3Å; E50-D53 WeakPolarHBondContact O-CB 3.4Å; E50-D53 PolarHBondContact O-N 3.28Å; D53-K60 WeakPolarHBondContact O-CD 3.32Å; D53-K60 IonicContact OD1-NZ 3.59Å; D53-K60 PolarHBondContact OD1-NZ 3.45Å; D53-K60 IonicContact OD2-NZ 3.45Å; D53-K60 PolarHBondContact OD2-NZ 3.29Å; D53-V94 HydrophobicContact CB-CG1 4.41Å; D53-I99 HydrophobicContact CB-CD1 3.58Å
54V88.8Confident87.1Confident4 Ų443.1 Ų43.12%0.02420%0.202CC..Hα-helixtrans-77.7-51.2-179.7176.40000111.5Y5 E50 Y52 K60 K61 Y64 L72Y5-V54 HydrophobicContact CD2-CB 3.93Å; Y5-V54 HydrophobicContact CD2-CG1 3.79Å; Y5-V54 HydrophobicContact CD2-CG2 4.18Å; Y5-V54 HydrophobicContact CE2-CB 3.96Å; Y5-V54 HydrophobicContact CE2-CG1 3.91Å; Y5-V54 HydrophobicContact CE2-CG2 3.68Å; E50-V54 PolarHBondContact O-N 2.95Å; E50-V54 VanDerWaalsContact O-N 3.16Å; Y52-V54 VanDerWaalsContact C-N 3.26Å; Y52-V54 PolarHBondContact O-N 2.8Å; V54-K60 HydrophobicContact CG1-CB 4.43Å; V54-K60 WeakPolarHBondContact O-CB 3.47Å; V54-K61 PolarHBondContact O-N 2.82Å; V54-K61 VanDerWaalsContact O-N 3.1Å; V54-Y64 HydrophobicContact CG1-CD1 4.36Å; V54-Y64 HydrophobicContact CG1-CD2 4.22Å; V54-Y64 HydrophobicContact CG1-CG 3.81Å; V54-L72 HydrophobicContact CB-CD1 4.37Å; V54-L72 HydrophobicContact CG1-CD1 3.71Å; V54-L72 HydrophobicContact CG1-CD2 4.29Å; V54-L72 HydrophobicContact CG2-CD1 3.67Å
55L89.8Confident87.2Confident3 Ų341.6 Ų41.62%0.01620%0.203CC..Hα-helixtrans-80.2-22.9-174.2-63179.3000113.3Y6 L9 I20 A51 K61 Y64Y6-L55 HydrophobicContact CD1-CD1 3.85Å; Y6-L55 HydrophobicContact CD1-CD2 4.33Å; Y6-L55 HydrophobicContact CD2-CD2 4.36Å; Y6-L55 HydrophobicContact CE1-CD1 4.05Å; Y6-L55 HydrophobicContact CE1-CD2 3.77Å; Y6-L55 HydrophobicContact CE2-CD2 3.83Å; Y6-L55 HydrophobicContact CG-CD1 4.11Å; Y6-L55 VanDerWaalsContact CZ-CD2 3.49Å; L9-L55 HydrophobicContact CD1-CD1 3.91Å; I20-L55 HydrophobicContact CD1-CB 4.22Å; I20-L55 HydrophobicContact CG2-CB 4.02Å; A51-L55 VanDerWaalsContact O-CB 3.27Å; A51-L55 WeakPolarHBondContact O-CB 3.41Å; A51-L55 WeakPolarHBondContact O-CG 3.5Å; A51-L55 PolarHBondContact O-N 2.76Å; L55-K61 HydrophobicContact CD2-CG 4.05Å; L55-Y64 HydrophobicContact CD2-CD1 4.02Å; L55-Y64 HydrophobicContact CD2-CE1 4.23Å
56G85.4Confident87Confident22 Ų2250 Ų5023%0.22723%0.234CC..SBendtrans-79.6-18.5179.100000113.9Y52Y52-G56 WeakPolarHBondContact O-CA 3.41Å; Y52-G56 PolarHBondContact O-N 2.99Å
57D85.7Confident86.6Confident64 Ų6451.5 Ų51.534%0.34224%0.243SC..SBendtrans-101.8116.3172.1-175-45.9000109.6K59 K60 K61D57-K59 PolarHBondContact O-N 3.13Å; D57-K59 VanDerWaalsContact O-N 3.17Å; D57-K59 WeakPolarHBondContact OD1-CB 3.43Å; D57-K59 PolarHBondContact OD1-N 2.71Å; D57-K60 HydrophobicContact CB-CB 4.1Å; D57-K60 HydrophobicContact CB-CD 4.07Å; D57-K60 HydrophobicContact CB-CG 3.92Å; D57-K60 PolarHBondContact O-N 2.8Å; D57-K60 PolarHBondContact OD1-N 2.95Å; D57-K61 WeakPolarHBondContact O-CB 3.39Å; D57-K61 PolarHBondContact O-N 3.36Å
58Q84.8Confident86.2Confident108 Ų10848.8 Ų48.851%0.50524%0.238SC..Hα-helixtrans-55-38-177.3-170.662.251.700112.7D62Q58-D62 PolarHBondContact NE2-OD1 3.03Å; Q58-D62 WeakPolarHBondContact O-CB 3.4Å; Q58-D62 PolarHBondContact O-N 3.47Å
59K81.9Confident85.4Confident161 Ų16150.8 Ų50.870%0.725%0.247SC*.Hα-helixtrans-68.8-41.1179.7-64.4-178.7-179.8177.80111.3D57 I63D57-K59 PolarHBondContact O-N 3.13Å; D57-K59 VanDerWaalsContact O-N 3.17Å; D57-K59 WeakPolarHBondContact OD1-CB 3.43Å; D57-K59 PolarHBondContact OD1-N 2.71Å; K59-I63 VanDerWaalsContact O-CD1 3.28Å; K59-I63 WeakPolarHBondContact O-CD1 3.47Å; K59-I63 VanDerWaalsContact O-CG1 3.27Å; K59-I63 WeakPolarHBondContact O-CG1 3.23Å; K59-I63 PolarHBondContact O-N 2.79Å
60K86.8Confident84.6Confident30 Ų3059.2 Ų59.213%0.1329%0.286CS..Hα-helixtrans-69.6-40.9177.9-61.3-172.1-154.5177.90111D53 V54 D57 D62 I63 Y64 L72 F76D53-K60 WeakPolarHBondContact O-CD 3.32Å; D53-K60 IonicContact OD1-NZ 3.59Å; D53-K60 PolarHBondContact OD1-NZ 3.45Å; D53-K60 IonicContact OD2-NZ 3.45Å; D53-K60 PolarHBondContact OD2-NZ 3.29Å; V54-K60 HydrophobicContact CG1-CB 4.43Å; V54-K60 WeakPolarHBondContact O-CB 3.47Å; D57-K60 HydrophobicContact CB-CB 4.1Å; D57-K60 HydrophobicContact CB-CD 4.07Å; D57-K60 HydrophobicContact CB-CG 3.92Å; D57-K60 PolarHBondContact O-N 2.8Å; D57-K60 PolarHBondContact OD1-N 2.95Å; K60-D62 PolarHBondContact O-N 2.97Å; K60-I63 PolarHBondContact O-N 3.14Å; K60-Y64 WeakPolarHBondContact O-CB 3.05Å; K60-Y64 PolarHBondContact O-N 3.11Å; K60-L72 HydrophobicContact CB-CD2 4.16Å; K60-F76 HydrophobicContact CD-CE2 4.49Å; K60-F76 HydrophobicContact CD-CZ 4.05Å
61K86.9Confident83.6Confident21 Ų2159.3 Ų59.39%0.09129%0.29CS..Hα-helixtrans-56.5-47.7173.4-172.9-179.9-179.7-173.50111.3Y6 A15 I20 V54 L55 D57 I63 Y64 D65Y6-K61 WeakPolarHBondContact OH-CE 3.47Å; A15-K61 PolarHBondContact O-NZ 2.93Å; I20-K61 HydrophobicContact CD1-CD 4.38Å; V54-K61 PolarHBondContact O-N 2.82Å; V54-K61 VanDerWaalsContact O-N 3.1Å; L55-K61 HydrophobicContact CD2-CG 4.05Å; D57-K61 WeakPolarHBondContact O-CB 3.39Å; D57-K61 PolarHBondContact O-N 3.36Å; K61-I63 VanDerWaalsContact C-N 3.28Å; K61-I63 PolarHBondContact O-N 2.98Å; K61-Y64 PolarHBondContact O-N 3Å; K61-D65 WeakPolarHBondContact O-CB 3.48Å; K61-D65 VanDerWaalsContact O-CG 3.23Å; K61-D65 PolarHBondContact O-N 2.68Å
62D84.4Confident82.3Confident73 Ų7359.5 Ų59.539%0.3929%0.291SS..Hα-helixtrans-64.5-29.4179.5-67.1-13.2000113.7Q58 K60 R66Q58-D62 PolarHBondContact NE2-OD1 3.03Å; Q58-D62 WeakPolarHBondContact O-CB 3.4Å; Q58-D62 PolarHBondContact O-N 3.47Å; K60-D62 PolarHBondContact O-N 2.97Å; D62-R66 WeakPolarHBondContact O-CB 3.48Å
63I82.3Confident80.9Confident18 Ų1862.5 Ų62.59%0.09231%0.309CS..Hα-helixtrans-76.6-49.1175-65.9158.7000109.3K59 K60 K61 D65 R66 Q67 L72 M75K59-I63 VanDerWaalsContact O-CD1 3.28Å; K59-I63 WeakPolarHBondContact O-CD1 3.47Å; K59-I63 VanDerWaalsContact O-CG1 3.27Å; K59-I63 WeakPolarHBondContact O-CG1 3.23Å; K59-I63 PolarHBondContact O-N 2.79Å; K60-I63 PolarHBondContact O-N 3.14Å; K61-I63 VanDerWaalsContact C-N 3.28Å; K61-I63 PolarHBondContact O-N 2.98Å; I63-D65 VanDerWaalsContact C-N 3.35Å; I63-D65 PolarHBondContact O-N 2.82Å; I63-R66 PolarHBondContact O-N 2.87Å; I63-R66 VanDerWaalsContact O-N 3.14Å; I63-Q67 WeakPolarHBondContact O-CB 3.3Å; I63-Q67 PolarHBondContact O-N 2.83Å; I63-L72 HydrophobicContact CB-CD2 4.33Å; I63-L72 HydrophobicContact CG2-CD2 4.18Å; I63-M75 HydrophobicContact CD1-CE 3.25Å; I63-M75 HydrophobicContact CD1-CG 4.48Å; I63-M75 HydrophobicContact CD1-SD 3.79Å; I63-M75 HydrophobicContact CG1-CE 4.36Å
64Y86.2Confident79.2Confident21 Ų2163.6 Ų63.68%0.08233%0.331CS..Hα-helixtrans-59.4-42.3178.5173.9-101.2000112.4K3 D4 Y5 Y6 V54 L55 K60 K61 R66 G68 L72K3-Y64 PolarHBondContact O-OH 3.09Å; D4-Y64 WeakPolarHBondContact CA-OH 3.4Å; Y5-Y64 HydrophobicContact CD2-CD1 4.33Å; Y5-Y64 AromaticContact CD2-CD2 3.64Å; Y5-Y64 HydrophobicContact CD2-CD2 3.64Å; Y5-Y64 HydrophobicContact CD2-CE1 4.01Å; Y5-Y64 AromaticContact CD2-CE2 3.27Å; Y5-Y64 HydrophobicContact CD2-CE2 3.27Å; Y5-Y64 HydrophobicContact CD2-CG 4.16Å; Y5-Y64 AromaticContact CD2-CZ 3.48Å; Y5-Y64 VanDerWaalsContact CD2-CZ 3.48Å; Y5-Y64 AromaticContact CE2-CD2 3.76Å; Y5-Y64 HydrophobicContact CE2-CD2 3.76Å; Y5-Y64 AromaticContact CE2-CE2 3.58Å; Y5-Y64 HydrophobicContact CE2-CE2 3.58Å; Y5-Y64 HydrophobicContact CG-CE2 4.28Å; Y5-Y64 PolarHBondContact N-OH 2.73Å; Y6-Y64 AromaticContact CD2-CE1 4Å; Y6-Y64 HydrophobicContact CD2-CE1 4Å; Y6-Y64 HydrophobicContact CE2-CD1 4.18Å; Y6-Y64 AromaticContact CE2-CE1 3.71Å; Y6-Y64 HydrophobicContact CE2-CE1 3.71Å; V54-Y64 HydrophobicContact CG1-CD1 4.36Å; V54-Y64 HydrophobicContact CG1-CD2 4.22Å; V54-Y64 HydrophobicContact CG1-CG 3.81Å; L55-Y64 HydrophobicContact CD2-CD1 4.02Å; L55-Y64 HydrophobicContact CD2-CE1 4.23Å; K60-Y64 WeakPolarHBondContact O-CB 3.05Å; K60-Y64 PolarHBondContact O-N 3.11Å; K61-Y64 PolarHBondContact O-N 3Å; Y64-R66 PolarHBondContact O-N 3.4Å; Y64-G68 WeakPolarHBondContact O-CA 3.35Å; Y64-G68 PolarHBondContact O-N 2.99Å; Y64-L72 HydrophobicContact CD2-CD1 4.01Å
65D86.4Confident77.4Confident85 Ų8569.1 Ų69.146%0.45536%0.358SS..Hα-helixtrans-65.9-26.9178.8-73.1-17.5000112.6Y6 K61 I63Y6-D65 VanDerWaalsContact CE2-OD1 3.27Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.43Å; Y6-D65 VanDerWaalsContact OH-CG 3.23Å; Y6-D65 PolarHBondContact OH-OD1 3.22Å; Y6-D65 PolarHBondContact OH-OD2 3.38Å; Y6-D65 VanDerWaalsContact OH-OD2 3.05Å; K61-D65 WeakPolarHBondContact O-CB 3.48Å; K61-D65 VanDerWaalsContact O-CG 3.23Å; K61-D65 PolarHBondContact O-N 2.68Å; I63-D65 VanDerWaalsContact C-N 3.35Å; I63-D65 PolarHBondContact O-N 2.82Å
66R84Confident75.2Confident182 Ų18274.5 Ų74.569%0.68738%0.381SS*.Hα-helixtrans-95.7-34.7-177.4179.2170.226.4168.7-6.7113.8D62 I63 Y64D62-R66 WeakPolarHBondContact O-CB 3.48Å; I63-R66 PolarHBondContact O-N 2.87Å; I63-R66 VanDerWaalsContact O-N 3.14Å; Y64-R66 PolarHBondContact O-N 3.4Å
67Q79.4Confident72.9Confident115 Ų11576.5 Ų76.554%0.53740%0.402SS..Hα-helixtrans-122.8-7.8-170.4-62.5-177.2-700113.5I63 G71I63-Q67 WeakPolarHBondContact O-CB 3.3Å; I63-Q67 PolarHBondContact O-N 2.83Å; Q67-G71 VanDerWaalsContact OE1-CA 3.28Å
68G81.5Confident70.2Confident28 Ų2883 Ų8329%0.28943%0.428SS..  trans72-167.5-17300000113.3Y64 E70 G71Y64-G68 WeakPolarHBondContact O-CA 3.35Å; Y64-G68 PolarHBondContact O-N 2.99Å; G68-E70 VanDerWaalsContact C-N 3.28Å; G68-E70 PolarHBondContact O-N 2.83Å; G68-G71 PolarHBondContact O-N 3.16Å
69E74.2Confident67.8Low46 Ų4681.5 Ų81.522%0.21543%0.433CS..THydrogen-bonded Turntrans-57.9-38.7179.4-174179.1-177.600112.3G2 K3 G71 L72 F92G2-E69 VanDerWaalsContact CA-OE2 3.27Å; G2-E69 WeakPolarHBondContact CA-OE2 3.39Å; K3-E69 PolarHBondContact N-OE2 3.45Å; E69-G71 PolarHBondContact O-N 3.17Å; E69-L72 WeakPolarHBondContact O-CB 3.35Å; E69-L72 PolarHBondContact O-N 3.09Å; E69-L72 VanDerWaalsContact O-N 3.13Å; E69-F92 HydrophobicContact CG-CE2 4.38Å
70E71.2Confident65.1Low177 Ų17783 Ų8383%0.82744%0.443SS*.Hα-helixtrans-63.4-28.6-178.8-65179.1-176.400112.8G68 L72 D73G68-E70 VanDerWaalsContact C-N 3.28Å; G68-E70 PolarHBondContact O-N 2.83Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 3.35Å; E70-D73 PolarHBondContact O-N 3.13Å
71G66.1Low62.3Low12 Ų1290.3 Ų90.312%0.12448%0.477CS..Hα-helixtrans-71.5-20.9177.600000114.3Q67 G68 E69 D73Q67-G71 VanDerWaalsContact OE1-CA 3.28Å; G68-G71 PolarHBondContact O-N 3.16Å; E69-G71 PolarHBondContact O-N 3.17Å; G71-D73 VanDerWaalsContact C-N 3.34Å
72L63.7Low59.5Low3 Ų395.3 Ų95.32%0.01651%0.512CS..Hα-helixtrans-75.6-27.4179.5-64.4166000111.8Y5 V54 K60 I63 Y64 E69 E70 G74 M75 F76 F92Y5-L72 HydrophobicContact CE2-CD1 4.04Å; V54-L72 HydrophobicContact CB-CD1 4.37Å; V54-L72 HydrophobicContact CG1-CD1 3.71Å; V54-L72 HydrophobicContact CG1-CD2 4.29Å; V54-L72 HydrophobicContact CG2-CD1 3.67Å; K60-L72 HydrophobicContact CB-CD2 4.16Å; I63-L72 HydrophobicContact CB-CD2 4.33Å; I63-L72 HydrophobicContact CG2-CD2 4.18Å; Y64-L72 HydrophobicContact CD2-CD1 4.01Å; E69-L72 WeakPolarHBondContact O-CB 3.35Å; E69-L72 PolarHBondContact O-N 3.09Å; E69-L72 VanDerWaalsContact O-N 3.13Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 3.35Å; L72-G74 VanDerWaalsContact C-N 3.31Å; L72-G74 PolarHBondContact O-N 3.36Å; L72-M75 PolarHBondContact O-N 3.45Å; L72-F76 WeakPolarHBondContact O-CD2 3.36Å; L72-F92 HydrophobicContact CB-CZ 4.09Å
73D60.7Low56.9Low97 Ų9797.6 Ų97.652%0.51953%0.534SS..Hα-helixtrans-64.1-36.3-176.1-153.423.6000111.7E70 G71 M75E70-D73 PolarHBondContact O-N 3.13Å; G71-D73 VanDerWaalsContact C-N 3.34Å; D73-M75 VanDerWaalsContact C-N 3.29Å; D73-M75 PolarHBondContact O-N 2.72Å
74G53.9Low54.4Low66 Ų66101.5 Ų101.568%0.6857%0.568SS**THydrogen-bonded Turntrans-68.8-18.2-178.700000115.5L72L72-G74 VanDerWaalsContact C-N 3.31Å; L72-G74 PolarHBondContact O-N 3.36Å
75M49.6Very low51.6Low120 Ų120105.6 Ų105.659%0.59161%0.607SS**THydrogen-bonded Turntrans-89.3-25.5-174.5-136.290.7149.400113.4I63 L72 D73I63-M75 HydrophobicContact CD1-CE 3.25Å; I63-M75 HydrophobicContact CD1-CG 4.48Å; I63-M75 HydrophobicContact CD1-SD 3.79Å; I63-M75 HydrophobicContact CG1-CE 4.36Å; L72-M75 PolarHBondContact O-N 3.45Å; D73-M75 VanDerWaalsContact C-N 3.29Å; D73-M75 PolarHBondContact O-N 2.72Å
76F45.2Very low48.6Very low115 Ų115104.2 Ų104.250%0.50461%0.613SS.*SBendtrans-99.61.2-172.6-68.2-76.6000114.4K60 L72 F78K60-F76 HydrophobicContact CD-CE2 4.49Å; K60-F76 HydrophobicContact CD-CZ 4.05Å; L72-F76 WeakPolarHBondContact O-CD2 3.36Å; F76-F78 PolarHBondContact O-N 2.82Å
77G35.9Very low46Very low64 Ų64100.6 Ų100.666%0.6662%0.622SS**THydrogen-bonded Turntrans-64.51.4-179.400000116.8
78F29.9Very low43.6Very low202 Ų202102.6 Ų102.689%0.88663%0.631SS**THydrogen-bonded Turntrans-104.223.1-177.2-72.9-69.3000115.6F76F76-F78 PolarHBondContact O-N 2.82Å
79A32.9Very low41.1Very low75 Ų75108 Ų10862%0.6266%0.659SS**SBendtrans-150.962.1170.400000113.7
80Q26.8Very low39.1Very low194 Ų194114.3 Ų114.391%0.90769%0.685SS**  trans-176.9129133.2-98.8153.855.400111.7
81Q27Very low37.4Very low183 Ų183109.2 Ų109.286%0.85567%0.673SS**PPolyproline II helixtrans-60.2141.6-179.7-163.2167-7.600111.2S83Q81-S83 PolarHBondContact O-N 2.88Å
82P28.9Very low36.4Very low125 Ų125110.9 Ų110.981%0.81268%0.677SS**PPolyproline II helixtrans-75121.6-165.729.2-33000111.1
83S28.8Very low35.7Very low122 Ų122118 Ų11885%0.85372%0.715SS**PPolyproline II helixtrans-100.5139.9159.3-77.30000109.9Q81Q81-S83 PolarHBondContact O-N 2.88Å
84A29.4Very low35.6Very low99 Ų99114.9 Ų114.982%0.81870%0.7SS**PPolyproline II helixtrans-63.5143-160.300000115.6
85A27.8Very low36.5Very low107 Ų107116.2 Ų116.288%0.88469%0.692SS**  trans54.292.1142.600000118
86G24.6Very low37.8Very low57 Ų57111.1 Ų111.159%0.58867%0.668SS**  trans179.4106.5160.400000111H88G86-H88 PolarHBondContact O-N 3.21Å
87A29.5Very low39.3Very low105 Ų105112.7 Ų112.787%0.86867%0.671SS**  trans-60.9100.6-177.700000111.9
88H27.1Very low41.3Very low158 Ų158115.3 Ų115.373%0.73166%0.664SS**  trans-136.2119.2166.7-63.2-62.4000108.8G86 F90G86-H88 PolarHBondContact O-N 3.21Å; H88-F90 PolarHBondContact O-N 3.41Å; H88-F90 VanDerWaalsContact O-N 3.16Å
89T29.4Very low43.5Very low142 Ų142106.7 Ų106.787%0.87163%0.627SS**  trans-36.4116.8165.9-38.30000109.2A91T89-A91 VanDerWaalsContact C-N 3.32Å; T89-A91 PolarHBondContact O-N 2.93Å
90F32.7Very low45.8Very low177 Ų177103.2 Ų103.278%0.77660%0.598SS**  trans-61.292.6-175.1-71.1-84.7000109.9H88 F92H88-F90 PolarHBondContact O-N 3.41Å; H88-F90 VanDerWaalsContact O-N 3.16Å; F90-F92 PolarHBondContact O-N 3.33Å
91A35.7Very low48.3Very low70 Ų7096.1 Ų96.158%0.57957%0.566SS**  trans-71.4114.5167.800000106.6T89 N93T89-A91 VanDerWaalsContact C-N 3.32Å; T89-A91 PolarHBondContact O-N 2.93Å; A91-N93 PolarHBondContact O-N 2.96Å
92F45.8Very low50.6Low47 Ų4792.6 Ų92.621%0.20655%0.553CS.*  trans-39.3106.1167.6-79.7-87000109.6E50 E69 L72 F90 V94E50-F92 HydrophobicContact CG-CB 4.46Å; E69-F92 HydrophobicContact CG-CE2 4.38Å; L72-F92 HydrophobicContact CB-CZ 4.09Å; F90-F92 PolarHBondContact O-N 3.33Å; F92-V94 HydrophobicContact CB-CG2 4.14Å; F92-V94 HydrophobicContact CD1-CG2 4.41Å; F92-V94 PolarHBondContact O-N 3.28Å
93N47.6Very low53.1Low152 Ų15288.7 Ų88.781%0.81352%0.523SS*.  trans-81.645.3175.6-104.3-6000109.7A91 D95A91-N93 PolarHBondContact O-N 2.96Å; N93-D95 PolarHBondContact O-N 3.46Å
94V58.4Low55.4Low32 Ų3285.1 Ų85.119%0.19449%0.493CS..  trans-69.9112.5169.1174.50000106.6D53 F92 A96 I99D53-V94 HydrophobicContact CB-CG1 4.41Å; F92-V94 HydrophobicContact CB-CG2 4.14Å; F92-V94 HydrophobicContact CD1-CG2 4.41Å; F92-V94 PolarHBondContact O-N 3.28Å; V94-A96 PolarHBondContact O-N 3.39Å; V94-I99 HydrophobicContact CG1-CD1 3.14Å; V94-I99 HydrophobicContact CG1-CG1 4.03Å
95D74.2Confident57.3Low95 Ų9583.4 Ų83.451%0.50849%0.485SS..  trans-69.699.5175.3-174.3-12000109N93 R97 K98 I99N93-D95 PolarHBondContact O-N 3.46Å; D95-R97 PolarHBondContact O-N 3.44Å; D95-R97 VanDerWaalsContact O-N 3.17Å; D95-R97 WeakPolarHBondContact OD1-CB 3.5Å; D95-R97 PolarHBondContact OD1-N 3.28Å; D95-K98 HydrophobicContact CB-CB 3.91Å; D95-K98 WeakPolarHBondContact O-CB 3.42Å; D95-K98 PolarHBondContact O-N 3.07Å; D95-K98 PolarHBondContact OD1-N 3.13Å; D95-I99 PolarHBondContact O-N 3.47Å; D95-I99 VanDerWaalsContact O-N 3.16Å
96A76.7Confident59.1Low12 Ų1280.5 Ų80.510%0.09946%0.456CS..Hα-helixtrans-56.9-30.6-17900000112.4F45 A49 V94 F100F45-A96 HydrophobicContact CD1-CB 3.81Å; F45-A96 HydrophobicContact CE1-CB 3.7Å; A49-A96 HydrophobicContact CB-CB 3.54Å; V94-A96 PolarHBondContact O-N 3.39Å; A96-F100 WeakPolarHBondContact O-CB 3.44Å; A96-F100 PolarHBondContact O-N 2.8Å; A96-F100 VanDerWaalsContact O-N 3.09Å
97R76.4Confident61Low148 Ų14884.9 Ų84.956%0.55846%0.461SS*.Hα-helixtrans-72.6-36.8176-72.9-176.5161.4169.5-4.3111.7D95 F100 N101D95-R97 PolarHBondContact O-N 3.44Å; D95-R97 VanDerWaalsContact O-N 3.17Å; D95-R97 WeakPolarHBondContact OD1-CB 3.5Å; D95-R97 PolarHBondContact OD1-N 3.28Å; R97-F100 PolarHBondContact O-N 3.38Å; R97-N101 WeakPolarHBondContact O-CB 3.43Å; R97-N101 PolarHBondContact O-N 3.41Å; R97-N101 PolarHBondContact O-OD1 2.98Å
98K77.4Confident62.8Low119 Ų11983.2 Ų83.252%0.51744%0.438SS..Hα-helixtrans-62.9-47.2174.9-173.9-177.4178-63.50111.3D95 F100 N101 D102D95-K98 HydrophobicContact CB-CB 3.91Å; D95-K98 WeakPolarHBondContact O-CB 3.42Å; D95-K98 PolarHBondContact O-N 3.07Å; D95-K98 PolarHBondContact OD1-N 3.13Å; K98-F100 VanDerWaalsContact C-N 3.27Å; K98-F100 PolarHBondContact O-N 3.25Å; K98-N101 PolarHBondContact O-N 2.86Å; K98-D102 IonicContact NZ-OD1 3.94Å; K98-D102 IonicContact NZ-OD2 2.77Å; K98-D102 PolarHBondContact NZ-OD2 3.16Å; K98-D102 WeakPolarHBondContact O-CB 3.28Å; K98-D102 PolarHBondContact O-N 3.1Å
99I77.4Confident64.5Low21 Ų2176.5 Ų76.511%0.10841%0.408CS..Hα-helixtrans-59.5-43.2176.6-65.2-173.8000110.8A49 Y52 D53 V94 D95 D102 F103A49-I99 HydrophobicContact CB-CD1 4.41Å; Y52-I99 HydrophobicContact CD1-CG2 3.72Å; Y52-I99 HydrophobicContact CE1-CG2 4.24Å; D53-I99 HydrophobicContact CB-CD1 3.58Å; V94-I99 HydrophobicContact CG1-CD1 3.14Å; V94-I99 HydrophobicContact CG1-CG1 4.03Å; D95-I99 PolarHBondContact O-N 3.47Å; D95-I99 VanDerWaalsContact O-N 3.16Å; I99-D102 PolarHBondContact O-N 3.22Å; I99-F103 VanDerWaalsContact O-CB 3.26Å; I99-F103 WeakPolarHBondContact O-CB 3.33Å; I99-F103 PolarHBondContact O-N 2.89Å
100F79.5Confident66.3Low3 Ų372.9 Ų72.91%0.01338%0.379CS..Hα-helixtrans-62.1-46177.2-175.4-91.8000111.8Y24 A28 H32 F45 A96 R97 K98 D102 F103 F104 P109Y24-F100 WeakPolarHBondContact OH-CA 3.15Å; A28-F100 HydrophobicContact CB-CD2 4.11Å; A28-F100 HydrophobicContact CB-CE2 4.16Å; H32-F100 AromaticContact CD2-CE1 3.9Å; H32-F100 AromaticContact CD2-CE2 3.57Å; H32-F100 AromaticContact CD2-CZ 3.44Å; H32-F100 VanDerWaalsContact CD2-CZ 3.44Å; H32-F100 WeakPolarHBondContact CD2-CZ 3.27Å; H32-F100 AromaticContact NE2-CE1 3.67Å; H32-F100 AromaticContact NE2-CZ 3.72Å; F45-F100 AromaticContact CE2-CD2 3.81Å; F45-F100 HydrophobicContact CE2-CD2 3.81Å; F45-F100 HydrophobicContact CE2-CE2 4.24Å; F45-F100 HydrophobicContact CZ-CB 3.88Å; F45-F100 AromaticContact CZ-CD2 3.69Å; F45-F100 HydrophobicContact CZ-CD2 3.69Å; F45-F100 HydrophobicContact CZ-CE2 4.41Å; F45-F100 AromaticContact CZ-CG 3.95Å; F45-F100 HydrophobicContact CZ-CG 3.95Å; A96-F100 WeakPolarHBondContact O-CB 3.44Å; A96-F100 PolarHBondContact O-N 2.8Å; A96-F100 VanDerWaalsContact O-N 3.09Å; R97-F100 PolarHBondContact O-N 3.38Å; K98-F100 VanDerWaalsContact C-N 3.27Å; K98-F100 PolarHBondContact O-N 3.25Å; F100-D102 PolarHBondContact O-N 3.07Å; F100-F103 PolarHBondContact O-N 3.37Å; F100-F104 AromaticContact CD1-CD2 3.97Å; F100-F104 HydrophobicContact CD1-CD2 3.97Å; F100-F104 AromaticContact CD2-CD2 3.45Å; F100-F104 HydrophobicContact CD2-CD2 3.45Å; F100-F104 VanDerWaalsContact CD2-CD2 3.45Å; F100-F104 AromaticContact CD2-CE2 3.43Å; F100-F104 HydrophobicContact CD2-CE2 3.43Å; F100-F104 VanDerWaalsContact CD2-CE2 3.43Å; F100-F104 AromaticContact CE1-CD2 3.88Å; F100-F104 HydrophobicContact CE1-CD2 3.88Å; F100-F104 HydrophobicContact CE1-CE2 4.5Å; F100-F104 HydrophobicContact CE1-CG 4.46Å; F100-F104 AromaticContact CE2-CD2 3.35Å; F100-F104 HydrophobicContact CE2-CD2 3.35Å; F100-F104 AromaticContact CE2-CE2 3.15Å; F100-F104 HydrophobicContact CE2-CE2 3.15Å; F100-F104 HydrophobicContact CE2-CG 4.44Å; F100-F104 HydrophobicContact CE2-CZ 4.09Å; F100-F104 AromaticContact CG-CD2 3.79Å; F100-F104 HydrophobicContact CG-CD2 3.79Å; F100-F104 HydrophobicContact CG-CE2 4.23Å; F100-F104 AromaticContact CZ-CD2 3.59Å; F100-F104 HydrophobicContact CZ-CD2 3.59Å; F100-F104 AromaticContact CZ-CE2 3.77Å; F100-F104 HydrophobicContact CZ-CE2 3.77Å; F100-F104 HydrophobicContact CZ-CG 4.31Å; F100-F104 WeakPolarHBondContact O-CB 3.15Å; F100-F104 WeakPolarHBondContact O-CD2 3.28Å; F100-F104 PolarHBondContact O-N 2.84Å; F100-P109 HydrophobicContact CE1-CG 3.86Å; F100-P109 HydrophobicContact CE2-CG 4.46Å; F100-P109 HydrophobicContact CZ-CG 3.45Å; F100-P109 VanDerWaalsContact CZ-CG 3.45Å
101N79Confident67.5Low44 Ų4468.1 Ų68.124%0.23537%0.365CS..Hα-helixtrans-63.4-40.6176.8-74.1-4.8000112.1R97 K98 F103 G105 T106 E107R97-N101 WeakPolarHBondContact O-CB 3.43Å; R97-N101 PolarHBondContact O-N 3.41Å; R97-N101 PolarHBondContact O-OD1 2.98Å; K98-N101 PolarHBondContact O-N 2.86Å; N101-F103 VanDerWaalsContact C-N 3.32Å; N101-G105 CarbonylContact O-C 3.4Å; N101-G105 WeakPolarHBondContact O-CA 3.32Å; N101-G105 PolarHBondContact O-N 2.87Å; N101-T106 PolarHBondContact OD1-O 3.04Å; N101-E107 WeakPolarHBondContact ND2-CG 3.4Å; N101-E107 VanDerWaalsContact OD1-CA 3.22Å; N101-E107 WeakPolarHBondContact OD1-CA 3.37Å; N101-E107 PolarHBondContact OD1-N 3.3Å
102D76.6Confident68.4Low110 Ų11067.5 Ų67.559%0.58836%0.359SS*.Hα-helixtrans-67-35.8176.7-68.4-17.5000110.8K98 I99 F100K98-D102 IonicContact NZ-OD1 3.94Å; K98-D102 IonicContact NZ-OD2 2.77Å; K98-D102 PolarHBondContact NZ-OD2 3.16Å; K98-D102 WeakPolarHBondContact O-CB 3.28Å; K98-D102 PolarHBondContact O-N 3.1Å; I99-D102 PolarHBondContact O-N 3.22Å; F100-D102 PolarHBondContact O-N 3.07Å
103F80.1Confident68.4Low42 Ų4272 Ų7218%0.18438%0.379CS..Hα-helixtrans-75.8-42.7179-175.4-89.5000113.5K21 Y24 R25 Y52 I99 F100 N101K21-F103 HydrophobicContact CB-CE2 4.24Å; K21-F103 HydrophobicContact CG-CE2 4.21Å; Y24-F103 HydrophobicContact CD1-CD1 4.06Å; Y24-F103 AromaticContact CD1-CD2 3.74Å; Y24-F103 HydrophobicContact CD1-CD2 3.74Å; Y24-F103 HydrophobicContact CD1-CE1 4.09Å; Y24-F103 AromaticContact CD1-CE2 3.77Å; Y24-F103 HydrophobicContact CD1-CE2 3.77Å; Y24-F103 AromaticContact CD1-CG 3.88Å; Y24-F103 HydrophobicContact CD1-CG 3.88Å; Y24-F103 AromaticContact CD1-CZ 3.95Å; Y24-F103 HydrophobicContact CD1-CZ 3.95Å; Y24-F103 HydrophobicContact CE1-CB 3.86Å; Y24-F103 AromaticContact CE1-CD1 3.85Å; Y24-F103 HydrophobicContact CE1-CD1 3.85Å; Y24-F103 AromaticContact CE1-CD2 3.84Å; Y24-F103 HydrophobicContact CE1-CD2 3.84Å; Y24-F103 HydrophobicContact CE1-CE1 4.34Å; Y24-F103 HydrophobicContact CE1-CE2 4.32Å; Y24-F103 AromaticContact CE1-CG 3.57Å; Y24-F103 HydrophobicContact CE1-CG 3.57Å; R25-F103 HydrophobicContact CB-CE1 3.89Å; R25-F103 HydrophobicContact CB-CZ 3.96Å; R25-F103 HydrophobicContact CG-CE1 4.15Å; Y52-F103 AromaticContact CE1-CD2 3.81Å; Y52-F103 HydrophobicContact CE1-CD2 3.81Å; Y52-F103 HydrophobicContact CE1-CE2 4.4Å; Y52-F103 HydrophobicContact CE2-CD2 4.38Å; Y52-F103 HydrophobicContact CE2-CE2 4.16Å; Y52-F103 AromaticContact CZ-CD2 3.59Å; Y52-F103 AromaticContact CZ-CE2 3.77Å; Y52-F103 WeakPolarHBondContact OH-CD2 3.39Å; Y52-F103 WeakPolarHBondContact OH-CE2 3.25Å; I99-F103 VanDerWaalsContact O-CB 3.26Å; I99-F103 WeakPolarHBondContact O-CB 3.33Å; I99-F103 PolarHBondContact O-N 2.89Å; F100-F103 PolarHBondContact O-N 3.37Å; N101-F103 VanDerWaalsContact C-N 3.32Å
104F78.4Confident68.1Low47 Ų4770 Ų7021%0.20636%0.363CS..Hα-helixtrans-95.3-17.4-176.2-75.6-74.9000113.6R25 A28 L29 F100 T106 P109R25-F104 HydrophobicContact CG-CE1 4.11Å; R25-F104 HydrophobicContact CG-CZ 3.99Å; A28-F104 HydrophobicContact CB-CE2 4.4Å; L29-F104 HydrophobicContact CD1-CE1 4.39Å; L29-F104 HydrophobicContact CD1-CZ 4.28Å; L29-F104 HydrophobicContact CD2-CE1 4.18Å; L29-F104 HydrophobicContact CD2-CZ 3.9Å; L29-F104 HydrophobicContact CG-CE1 4.37Å; L29-F104 HydrophobicContact CG-CZ 3.88Å; F100-F104 AromaticContact CD1-CD2 3.97Å; F100-F104 HydrophobicContact CD1-CD2 3.97Å; F100-F104 AromaticContact CD2-CD2 3.45Å; F100-F104 HydrophobicContact CD2-CD2 3.45Å; F100-F104 VanDerWaalsContact CD2-CD2 3.45Å; F100-F104 AromaticContact CD2-CE2 3.43Å; F100-F104 HydrophobicContact CD2-CE2 3.43Å; F100-F104 VanDerWaalsContact CD2-CE2 3.43Å; F100-F104 AromaticContact CE1-CD2 3.88Å; F100-F104 HydrophobicContact CE1-CD2 3.88Å; F100-F104 HydrophobicContact CE1-CE2 4.5Å; F100-F104 HydrophobicContact CE1-CG 4.46Å; F100-F104 AromaticContact CE2-CD2 3.35Å; F100-F104 HydrophobicContact CE2-CD2 3.35Å; F100-F104 AromaticContact CE2-CE2 3.15Å; F100-F104 HydrophobicContact CE2-CE2 3.15Å; F100-F104 HydrophobicContact CE2-CG 4.44Å; F100-F104 HydrophobicContact CE2-CZ 4.09Å; F100-F104 AromaticContact CG-CD2 3.79Å; F100-F104 HydrophobicContact CG-CD2 3.79Å; F100-F104 HydrophobicContact CG-CE2 4.23Å; F100-F104 AromaticContact CZ-CD2 3.59Å; F100-F104 HydrophobicContact CZ-CD2 3.59Å; F100-F104 AromaticContact CZ-CE2 3.77Å; F100-F104 HydrophobicContact CZ-CE2 3.77Å; F100-F104 HydrophobicContact CZ-CG 4.31Å; F100-F104 WeakPolarHBondContact O-CB 3.15Å; F100-F104 WeakPolarHBondContact O-CD2 3.28Å; F100-F104 PolarHBondContact O-N 2.84Å; F104-T106 PolarHBondContact O-N 3.24Å; F104-P109 HydrophobicContact CB-CB 3.93Å; F104-P109 HydrophobicContact CB-CG 4.32Å; F104-P109 HydrophobicContact CD1-CB 3.37Å; F104-P109 HydrophobicContact CD1-CG 3.86Å; F104-P109 HydrophobicContact CD2-CG 4.3Å; F104-P109 HydrophobicContact CE1-CB 3.98Å; F104-P109 HydrophobicContact CE1-CG 4.2Å; F104-P109 HydrophobicContact CG-CB 3.71Å; F104-P109 HydrophobicContact CG-CG 3.9Å
105G68.3Low67.7Low63 Ų6372.5 Ų72.565%0.64939%0.388SS*.SBendtrans77.6-2.4-176.500000114.7N101N101-G105 CarbonylContact O-C 3.4Å; N101-G105 WeakPolarHBondContact O-CA 3.32Å; N101-G105 PolarHBondContact O-N 2.87Å
106T65.6Low66.5Low46 Ų4674 Ų7428%0.28240%0.4SS..SBendtrans-150.6155.9-179.9620000111.2N101 F104 D108N101-T106 PolarHBondContact OD1-O 3.04Å; F104-T106 PolarHBondContact O-N 3.24Å; T106-D108 PolarHBondContact O-N 2.57Å; T106-D108 VanDerWaalsContact OG1-C 3.23Å; T106-D108 PolarHBondContact OG1-O 3.25Å
107E65.7Low64.8Low150 Ų15079.7 Ų79.770%0.70143%0.426SS*.SBendtrans-64.7-25.8171.8-72.9-179.116800113N101N101-E107 WeakPolarHBondContact ND2-CG 3.4Å; N101-E107 VanDerWaalsContact OD1-CA 3.22Å; N101-E107 WeakPolarHBondContact OD1-CA 3.37Å; N101-E107 PolarHBondContact OD1-N 3.3Å
108D66.7Low62.9Low70 Ų7075.7 Ų75.737%0.37443%0.432SS..  trans-129.196.9175.3-174.6-1.4000110.2T106 Y110 T111T106-D108 PolarHBondContact O-N 2.57Å; T106-D108 VanDerWaalsContact OG1-C 3.23Å; T106-D108 PolarHBondContact OG1-O 3.25Å; D108-Y110 PolarHBondContact O-N 3.43Å; D108-Y110 WeakPolarHBondContact OD1-CA 3.39Å; D108-Y110 WeakPolarHBondContact OD1-CB 3.49Å; D108-Y110 WeakPolarHBondContact OD1-CD2 3.12Å; D108-Y110 PolarHBondContact OD1-N 2.8Å; D108-T111 HydrophobicContact CB-CG2 3.84Å; D108-T111 WeakPolarHBondContact O-CB 3.36Å; D108-T111 PolarHBondContact O-N 3.14Å; D108-T111 PolarHBondContact O-OG1 2.8Å
109P62.8Low61.2Low16 Ų1675.9 Ų75.910%0.10444%0.438CS..Hα-helixtrans-63.3-18176.521.4-31.5000113.1L29 F100 F104 T111 A112 F113L29-P109 HydrophobicContact CD2-CG 3.83Å; F100-P109 HydrophobicContact CE1-CG 3.86Å; F100-P109 HydrophobicContact CE2-CG 4.46Å; F100-P109 HydrophobicContact CZ-CG 3.45Å; F100-P109 VanDerWaalsContact CZ-CG 3.45Å; F104-P109 HydrophobicContact CB-CB 3.93Å; F104-P109 HydrophobicContact CB-CG 4.32Å; F104-P109 HydrophobicContact CD1-CB 3.37Å; F104-P109 HydrophobicContact CD1-CG 3.86Å; F104-P109 HydrophobicContact CD2-CG 4.3Å; F104-P109 HydrophobicContact CE1-CB 3.98Å; F104-P109 HydrophobicContact CE1-CG 4.2Å; F104-P109 HydrophobicContact CG-CB 3.71Å; F104-P109 HydrophobicContact CG-CG 3.9Å; P109-T111 VanDerWaalsContact C-N 3.28Å; P109-A112 PolarHBondContact O-N 2.96Å; P109-F113 PolarHBondContact O-N 3.04Å
110Y66.9Low59.5Low67 Ų6780 Ų8026%0.26347%0.466SS..Hα-helixtrans-72.8-23.6174.4-59.4-71.4000111.5L29 K35 D108 A112 F113 F114L29-Y110 HydrophobicContact CD2-CE1 4.45Å; L29-Y110 HydrophobicContact CD2-CE2 4.1Å; K35-Y110 PolarHBondContact NZ-OH 3.26Å; D108-Y110 PolarHBondContact O-N 3.43Å; D108-Y110 WeakPolarHBondContact OD1-CA 3.39Å; D108-Y110 WeakPolarHBondContact OD1-CB 3.49Å; D108-Y110 WeakPolarHBondContact OD1-CD2 3.12Å; D108-Y110 PolarHBondContact OD1-N 2.8Å; Y110-A112 VanDerWaalsContact C-N 3.27Å; Y110-A112 PolarHBondContact O-N 3.03Å; Y110-F113 PolarHBondContact O-N 3.01Å; Y110-F114 HydrophobicContact CD1-CE2 4.26Å; Y110-F114 VanDerWaalsContact O-CB 3.23Å; Y110-F114 WeakPolarHBondContact O-CB 3.36Å; Y110-F114 WeakPolarHBondContact O-CD2 3.46Å; Y110-F114 PolarHBondContact O-N 3.23Å
111T58.3Low57.6Low77 Ų7782.5 Ų82.547%0.47249%0.493SS..Hα-helixtrans-61.2-38.2173.758.50000112D108 P109 A115D108-T111 HydrophobicContact CB-CG2 3.84Å; D108-T111 WeakPolarHBondContact O-CB 3.36Å; D108-T111 PolarHBondContact O-N 3.14Å; D108-T111 PolarHBondContact O-OG1 2.8Å; P109-T111 VanDerWaalsContact C-N 3.28Å; T111-A115 WeakPolarHBondContact O-CB 3.4Å; T111-A115 PolarHBondContact O-N 3.28Å
112A53.8Low55.5Low57 Ų5790.8 Ų90.847%0.47152%0.521SS..Hα-helixtrans-73.4-38.7175.500000112P109 Y110 T116P109-A112 PolarHBondContact O-N 2.96Å; Y110-A112 VanDerWaalsContact C-N 3.27Å; Y110-A112 PolarHBondContact O-N 3.03Å; A112-T116 PolarHBondContact O-OG1 3.25Å
113F46.7Very low53.4Low140 Ų14094 Ų9461%0.61453%0.532SS*.Hα-helixtrans-75.8-35.3-179.6-139.7-87.3000113P109 Y110 T116 M117P109-F113 PolarHBondContact O-N 3.04Å; Y110-F113 PolarHBondContact O-N 3.01Å; F113-T116 PolarHBondContact O-N 2.96Å; F113-M117 HydrophobicContact CE1-SD 4.14Å; F113-M117 PolarHBondContact O-N 3.07Å
114F41.8Very low51.2Low111 Ų11198.3 Ų98.349%0.48757%0.567SS.*Hα-helixtrans-80.7-21.7175.2-84.3-95.9000113.5Y110 T116 M117 P120Y110-F114 HydrophobicContact CD1-CE2 4.26Å; Y110-F114 VanDerWaalsContact O-CB 3.23Å; Y110-F114 WeakPolarHBondContact O-CB 3.36Å; Y110-F114 WeakPolarHBondContact O-CD2 3.46Å; Y110-F114 PolarHBondContact O-N 3.23Å; F114-T116 PolarHBondContact O-N 3.34Å; F114-M117 CarbonylContact O-C 3.4Å; F114-P120 HydrophobicContact CE1-CG 3.7Å; F114-P120 HydrophobicContact CZ-CG 4.33Å
115A49.4Very low49Very low85 Ų8599.4 Ų99.470%0.70259%0.591SS**Hα-helixtrans-65-32168.800000111.2T111T111-A115 WeakPolarHBondContact O-CB 3.4Å; T111-A115 PolarHBondContact O-N 3.28Å
116T48.9Very low47.2Very low127 Ų127103.9 Ų103.978%0.77960%0.597SS**Hα-helixtrans-95.8-28.7178.8-19.80000113.7A112 F113 F114A112-T116 PolarHBondContact O-OG1 3.25Å; F113-T116 PolarHBondContact O-N 2.96Å; F114-T116 PolarHBondContact O-N 3.34Å
117M40.6Very low45.4Very low130 Ų130104.3 Ų104.364%0.6461%0.611SS**SBendtrans-110.283.9168.6-84-172.1-170.500109.5F113 F114 D119F113-M117 HydrophobicContact CE1-SD 4.14Å; F113-M117 PolarHBondContact O-N 3.07Å; F114-M117 CarbonylContact O-C 3.4Å; M117-D119 PolarHBondContact O-N 3.29Å
118G37.8Very low43.8Very low65 Ų65103.3 Ų103.367%0.6762%0.616SS**  trans-55.4129.5166.400000111.4
119D41.9Very low42Very low123 Ų123107.4 Ų107.466%0.65863%0.632SS**  trans68.190.6151.3-161.732.8000119M117 G121M117-D119 PolarHBondContact O-N 3.29Å; D119-G121 PolarHBondContact O-N 3.17Å; D119-G121 PolarHBondContact OD1-N 2.93Å
120P41.3Very low40.7Very low108 Ų108114 Ų11470%0.70167%0.665SS**THydrogen-bonded Turntrans-8157.1161.336.7-34.1000110F114F114-P120 HydrophobicContact CE1-CG 3.7Å; F114-P120 HydrophobicContact CZ-CG 4.33Å
121G38.6Very low38.8Very low55 Ų55120 Ų12057%0.56769%0.693SS**THydrogen-bonded Turntrans-108.1-9.7174.300000113.5D119D119-G121 PolarHBondContact O-N 3.17Å; D119-G121 PolarHBondContact OD1-N 2.93Å
122R36.2Very low37.4Very low217 Ų217122 Ų12282%0.81971%0.71SS**SBendtrans-139.297.3-180-77.3-176.7148.7-158.6-6.5109.1
123H32Very low36.3Very low179 Ų179127.6 Ų127.683%0.82973%0.729SS**  trans179.877.8138.2-97.873.5000107.3G125H123-G125 PolarHBondContact O-N 3.11Å
124S33.8Very low35.4Very low131 Ų131124.3 Ų124.392%0.91673%0.734SS**  trans-64.7122.3149.8-77.20000107.5
125G31.2Very low34.9Very low70 Ų70123 Ų12372%0.72275%0.751SS**  trans86.976.4158.600000116.5H123H123-G125 PolarHBondContact O-N 3.11Å
126M30.8Very low34.2Very low157 Ų157125.7 Ų125.777%0.77375%0.754SS**  trans-156.582132.6-155.3126120.100108.3
127G28.6Very low33.6Very low56 Ų56126.9 Ų126.958%0.57776%0.755SS**  trans-62.4157.2161.700000109.8
128T32.5Very low33.4Very low129 Ų129124.3 Ų124.379%0.79176%0.761SS**  trans77.456.2164.271.20000118.9
129H28.6Very low33.6Very low155 Ų155129.5 Ų129.572%0.71877%0.768SS**  trans-143.268.8148.8-61.8-67000111.1
130I34.6Very low33.6Very low155 Ų155134.8 Ų134.880%0.79578%0.779SS**  trans-117.727.4167.9-64.3172.4000110.4
131F27.7Very low33.9Very low194 Ų194135 Ų13585%0.85177%0.774SS**  trans-142.2136.1171.7-67.9-76.3000110.3
132S29.2Very low34.3Very low119 Ų119137.2 Ų137.283%0.83279%0.787SS**  trans77.5134179.9-102.40000115.5
133M29.6Very low35.1Very low174 Ų174136.9 Ų136.986%0.85779%0.785SS**  cis-176.9147.26.5-133.1-78-158.800107
134G28Very low36.2Very low70 Ų70132.3 Ų132.372%0.72277%0.774SS**  trans77119.4164.800000114.3
135G31.9Very low38Very low83 Ų83134.2 Ų134.286%0.85677%0.774SS**  cis88.667.245.900000108.6
136D33.6Very low40.3Very low142 Ų142133.7 Ų133.776%0.75976%0.756SS**  trans-151.7104.7163.4-157.934000110.8
137L36.3Very low43Very low153 Ų153130.1 Ų130.180%0.80175%0.745SS**  trans3785.8144.4-74.6121.4000118.1H139L137-H139 PolarHBondContact O-N 3.38Å
138G36.5Very low46Very low75 Ų75132 Ų13277%0.77374%0.738SS**  trans-2.984.3141.500000116.6R140G138-R140 PolarHBondContact O-N 3.2Å
139H42.9Very low48.7Very low175 Ų175127.6 Ų127.681%0.8171%0.709SS**  trans-71.274.5148.3-128.868.9000106.6L137 D141L137-H139 PolarHBondContact O-N 3.38Å; H139-D141 PolarHBondContact O-N 2.82Å
140R42.1Very low51.7Low234 Ų234124.9 Ų124.988%0.88371%0.705SS**  trans-6492159.7-99.6179.7162.6168.4-4.2104.5G138 A142G138-R140 PolarHBondContact O-N 3.2Å; R140-A142 PolarHBondContact O-N 2.85Å
141D47.5Very low54.6Low111 Ų111120.8 Ų120.859%0.59469%0.689SS**  trans-49101.5158.8-82.2-34.5000105.7H139 R143H139-D141 PolarHBondContact O-N 2.82Å; D141-R143 HydrophobicContact CB-CG 4.13Å; D141-R143 PolarHBondContact O-N 3.45Å
142A45.7Very low57.8Low102 Ų102115.2 Ų115.284%0.84367%0.667SS**  trans-67.769.8166.900000106.2R140 S144R140-A142 PolarHBondContact O-N 2.85Å; A142-S144 PolarHBondContact O-N 2.86Å
143R53.6Low61Low210 Ų210113.9 Ų113.979%0.79265%0.654SS**  trans-58.6109168.7-72.5-174.8179-178.3-0.9104.5D141 N145D141-R143 HydrophobicContact CB-CG 4.13Å; D141-R143 PolarHBondContact O-N 3.45Å; R143-N145 PolarHBondContact O-N 2.87Å; R143-N145 VanDerWaalsContact O-N 3.16Å
144S55.2Low64.2Low84 Ų84109.8 Ų109.859%0.58763%0.633SS**  trans-38.5123.7173.859.10000108.6A142 V146A142-S144 PolarHBondContact O-N 2.86Å; S144-V146 PolarHBondContact O-N 2.82Å
145N70.9Confident67.5Low170 Ų170110.6 Ų110.691%0.90962%0.62SS**  trans-72.229.8-177.8-153.125.5000112.1R143 P147R143-N145 PolarHBondContact O-N 2.87Å; R143-N145 VanDerWaalsContact O-N 3.16Å; N145-P147 WeakPolarHBondContact O-CD 3.48Å
146V80.8Confident70.6Confident59 Ų59107 Ų10736%0.35858%0.582SS.*  trans-78.5120.7-177.4-178.60000107.2S144 N216 V218S144-V146 PolarHBondContact O-N 2.82Å; V146-N216 VanDerWaalsContact CG1-O 3.28Å; V146-N216 WeakPolarHBondContact CG1-O 3.45Å; V146-V218 HydrophobicContact CB-CG2 4.09Å; V146-V218 HydrophobicContact CG1-CG2 3.85Å
147P87.2Confident73.7Confident83 Ų83105.7 Ų105.754%0.53957%0.569SS.*  trans-57.4140.9179.2-24.634.4000111.6N145 R217 V218N145-P147 WeakPolarHBondContact O-CD 3.48Å; P147-R217 VanDerWaalsContact O-CG 3.3Å; P147-R217 WeakPolarHBondContact O-CG 3.43Å; P147-V218 PolarHBondContact O-N 3.39Å
148K91.4Very high76.6Confident96 Ų9698.4 Ų98.442%0.41753%0.531SS..BIsolated β-bridgetrans-117135.7172.9-173.3179.5-179.7-175.70109.2V218 P219 D221K148-V218 HydrophobicContact CB-CB 3.93Å; K148-V218 HydrophobicContact CB-CG1 4.38Å; K148-V218 HydrophobicContact CD-CB 4.46Å; K148-V218 HydrophobicContact CD-CG1 3.99Å; K148-V218 HydrophobicContact CG-CB 3.94Å; K148-V218 HydrophobicContact CG-CG1 3.93Å; K148-P219 WeakPolarHBondContact CE-O 3.33Å; K148-D221 VanDerWaalsContact CE-OD1 3.29Å; K148-D221 WeakPolarHBondContact CE-OD1 3.27Å; K148-D221 IonicContact NZ-OD1 3.41Å; K148-D221 PolarHBondContact NZ-OD1 2.79Å; K148-D221 IonicContact NZ-OD2 2.86Å; K148-D221 PolarHBondContact NZ-OD2 2.91Å
149D89.1Confident79.5Confident36 Ų3695.8 Ų95.819%0.19350%0.501CS..PPolyproline II helixtrans-69.6153.8176.1-80.7-38.3000113.7R217 A220D149-R217 IonicContact OD1-CZ 2.82Å; D149-R217 IonicContact OD1-NE 3.41Å; D149-R217 PolarHBondContact OD1-NE 2.85Å; D149-R217 IonicContact OD1-NH2 3.73Å; D149-R217 PolarHBondContact OD1-NH2 2.81Å; D149-R217 VanDerWaalsContact OD2-CD 3.28Å; D149-R217 WeakPolarHBondContact OD2-CD 3.48Å; D149-R217 IonicContact OD2-CZ 2.76Å; D149-R217 IonicContact OD2-NE 2.69Å; D149-R217 PolarHBondContact OD2-NE 3.05Å; D149-R217 IonicContact OD2-NH2 3.08Å; D149-A220 HydrophobicContact CB-CB 3.84Å
150P93Very high82.2Confident97 Ų9787.7 Ų87.763%0.6346%0.463SS*.PPolyproline II helixtrans-60.8152.2171.927.6-34.8000110.8
151P94.7Very high84.8Confident70 Ų7079.1 Ų79.146%0.45543%0.434SS..PPolyproline II helixtrans-63.1139.7-179.2-21.332.7000113.1D221 V223P151-D221 CarbonylContact C-O 3.55Å; P151-D221 VanDerWaalsContact CA-O 3.27Å; P151-D221 WeakPolarHBondContact CA-O 3.22Å; P151-D221 HydrophobicContact CB-CB 4.31Å; P151-V223 HydrophobicContact CB-CG2 3.75Å
152L94.5Very high87.2Confident76 Ų7675.8 Ų75.840%0.39842%0.416SS..EExtended strand (participates in β ladder)trans-81.3116.6170.6-62.4173.8000109.1A220 D221 I222 V223L152-A220 HydrophobicContact CD1-CB 4.46Å; L152-A220 HydrophobicContact CG-CB 4.2Å; L152-D221 PolarHBondContact N-O 2.83Å; L152-I222 HydrophobicContact CB-CG1 4.41Å; L152-I222 HydrophobicContact CD1-CG1 4.42Å; L152-I222 CarbonylContact O-C 3.52Å; L152-I222 WeakPolarHBondContact O-CA 3.45Å; L152-V223 PolarHBondContact O-N 3.02Å
153V96.1Very high89.6Confident92 Ų9271 Ų7156%0.55838%0.376SS*.EExtended strand (participates in β ladder)trans-103.3127.1-174.5-173.90000110.8V223 V225V153-V223 CarbonylContact C-O 3.54Å; V153-V223 WeakPolarHBondContact CA-O 3.47Å; V153-V223 HydrophobicContact CG2-CB 4.41Å; V153-V225 HydrophobicContact CG1-CG2 3.55Å
154H96.4Very high91.7Very high88 Ų8861.8 Ų61.841%0.40734%0.342SS..EExtended strand (participates in β ladder)trans-125.3140.1175.9-63.5-69.5000111.4V223 F224 V225H154-V223 PolarHBondContact N-O 3.34Å; H154-F224 HydrophobicContact CB-CD1 3.74Å; H154-F224 HydrophobicContact CB-CE1 3.77Å; H154-F224 CarbonylContact O-C 3.55Å; H154-F224 VanDerWaalsContact O-CA 3.26Å; H154-F224 WeakPolarHBondContact O-CA 3.41Å; H154-V225 PolarHBondContact O-N 3.34Å
155D97.6Very high93.6Very high86 Ų8665 Ų6546%0.4635%0.346SS..EExtended strand (participates in β ladder)trans-78.7131.3173.4-79.1-16.6000110.9F157 K227D155-F157 HydrophobicContact CB-CD2 4.38Å; D155-F157 HydrophobicContact CB-CE2 3.82Å; D155-F157 HydrophobicContact CB-CZ 4.23Å; D155-K227 HydrophobicContact CB-CG 3.91Å; D155-K227 WeakPolarHBondContact OD1-CE 3.38Å
156L97.7Very high94.8Very high9 Ų957.9 Ų57.95%0.04731%0.313CS..EExtended strand (participates in β ladder)trans-10997.6173.6177.658.6000109.2V158 K169 L171 V193 V195 F224 V225 V226 K227L156-V158 HydrophobicContact CD2-CG2 4.48Å; L156-V158 HydrophobicContact CG-CG2 4.01Å; L156-V158 PolarHBondContact O-N 3.49Å; L156-K169 HydrophobicContact CD1-CB 4.32Å; L156-K169 HydrophobicContact CD1-CG 4.27Å; L156-L171 HydrophobicContact CD1-CD1 3.93Å; L156-L171 HydrophobicContact CD1-CD2 4.06Å; L156-V193 HydrophobicContact CD2-CB 4.13Å; L156-V193 HydrophobicContact CD2-CG1 3.79Å; L156-V193 HydrophobicContact CD2-CG2 4.28Å; L156-V195 HydrophobicContact CD2-CG2 4.37Å; L156-F224 HydrophobicContact CB-CB 4.22Å; L156-V225 PolarHBondContact N-O 2.91Å; L156-V226 WeakPolarHBondContact O-CA 3.09Å; L156-K227 PolarHBondContact O-N 3.45Å
157F98Very high95.6Very high113 Ų11356.3 Ų56.350%0.49630%0.304SS..EExtended strand (participates in β ladder)trans-75.2120.2177.1-67.5-84.4000111.4D155 K227 K229D155-F157 HydrophobicContact CB-CD2 4.38Å; D155-F157 HydrophobicContact CB-CE2 3.82Å; D155-F157 HydrophobicContact CB-CZ 4.23Å; F157-K227 CarbonylContact C-O 3.58Å; F157-K227 WeakPolarHBondContact CA-O 3.36Å; F157-K227 HydrophobicContact CD1-CB 3.66Å; F157-K227 HydrophobicContact CE1-CB 3.74Å; F157-K227 HydrophobicContact CE1-CG 4.29Å; F157-K227 HydrophobicContact CG-CB 4.29Å; F157-K227 HydrophobicContact CZ-CB 4.41Å; F157-K229 HydrophobicContact CB-CB 4.25Å
158V98.1Very high96.1Very high0 Ų056.8 Ų56.80%031%0.306CS..EExtended strand (participates in β ladder)trans-119.4133.6-178.9-168.80000109.8L156 D162 I163 V195 V226 K227 K229L156-V158 HydrophobicContact CD2-CG2 4.48Å; L156-V158 HydrophobicContact CG-CG2 4.01Å; L156-V158 PolarHBondContact O-N 3.49Å; V158-D162 HydrophobicContact CG1-CB 3.51Å; V158-I163 HydrophobicContact CB-CD1 4.29Å; V158-I163 HydrophobicContact CB-CG1 4.11Å; V158-I163 HydrophobicContact CG1-CD1 4.38Å; V158-I163 HydrophobicContact CG1-CG1 3.74Å; V158-V195 HydrophobicContact CG1-CG1 4.22Å; V158-V195 HydrophobicContact CG2-CG2 4.24Å; V158-V226 HydrophobicContact CG2-CG1 4.06Å; V158-K227 PolarHBondContact N-O 2.94Å; V158-K229 WeakPolarHBondContact O-CB 3.14Å; V158-K229 PolarHBondContact O-N 3.26Å
159S98.1Very high96.3Very high21 Ų2155.1 Ų55.115%0.14730%0.298CS..  trans-70.7157.5177.667.80000111.8E161 D162 I163S159-E161 WeakPolarHBondContact CB-OE2 3.34Å; S159-E161 PolarHBondContact O-N 2.81Å; S159-D162 PolarHBondContact O-N 2.77Å; S159-D162 VanDerWaalsContact OG-CB 3.22Å; S159-D162 WeakPolarHBondContact OG-CB 3.46Å; S159-D162 PolarHBondContact OG-N 2.84Å; S159-D162 VanDerWaalsContact OG-N 3.11Å; S159-D162 PolarHBondContact OG-OD2 2.82Å; S159-I163 WeakPolarHBondContact O-CD1 3.26Å; S159-I163 VanDerWaalsContact O-CG1 3.28Å; S159-I163 WeakPolarHBondContact O-CG1 3.41Å; S159-I163 PolarHBondContact O-N 3.22Å
160L98Very high96.7Very high4 Ų461.5 Ų61.52%0.02132%0.32CS..Hα-helixtrans-64.8-31.7176.5-62.7-179.9000111.7I163 N164 H231 F234 R236 L263 L290L160-I163 HydrophobicContact CD2-CD1 4.2Å; L160-I163 PolarHBondContact O-N 3.34Å; L160-N164 WeakPolarHBondContact O-CB 3.4Å; L160-N164 PolarHBondContact O-N 2.84Å; L160-H231 HydrophobicContact CD1-CB 3.78Å; L160-H231 HydrophobicContact CG-CB 4.25Å; L160-F234 HydrophobicContact CD1-CB 3.77Å; L160-R236 HydrophobicContact CD2-CB 3.89Å; L160-R236 HydrophobicContact CD2-CG 4.3Å; L160-L263 HydrophobicContact CB-CD1 4.21Å; L160-L263 HydrophobicContact CB-CD2 3.74Å; L160-L263 HydrophobicContact CD1-CD2 4.39Å; L160-L290 HydrophobicContact CD2-CD1 4.43Å
161E97.2Very high96.8Very high55 Ų5558.8 Ų58.826%0.25730%0.3SS..Hα-helixtrans-63.8-46.1174.5-63.971.3-157.900111.3S159 N164 K165 H231S159-E161 WeakPolarHBondContact CB-OE2 3.34Å; S159-E161 PolarHBondContact O-N 2.81Å; E161-N164 WeakPolarHBondContact O-CB 3.25Å; E161-N164 PolarHBondContact O-N 2.9Å; E161-K165 PolarHBondContact O-N 2.89Å; E161-K165 VanDerWaalsContact O-N 3.13Å; E161-H231 IonicContact OE1-CD2 3.11Å; E161-H231 PolarHBondContact OE1-CD2 3.3Å; E161-H231 IonicContact OE1-NE2 2.76Å; E161-H231 PolarHBondContact OE1-NE2 3.45Å; E161-H231 VanDerWaalsContact OE1-NE2 3.11Å; E161-H231 IonicContact OE2-CD2 2.95Å
162D97.5Very high96.9Very high41 Ų4163 Ų6322%0.21931%0.306CS..Hα-helixtrans-66-39.1175.3-74.8-26.9000111.2V158 S159 N164 G166 C167 K169V158-D162 HydrophobicContact CG1-CB 3.51Å; S159-D162 PolarHBondContact O-N 2.77Å; S159-D162 VanDerWaalsContact OG-CB 3.22Å; S159-D162 WeakPolarHBondContact OG-CB 3.46Å; S159-D162 PolarHBondContact OG-N 2.84Å; S159-D162 VanDerWaalsContact OG-N 3.11Å; S159-D162 PolarHBondContact OG-OD2 2.82Å; D162-N164 VanDerWaalsContact C-N 3.31Å; D162-N164 PolarHBondContact O-N 2.83Å; D162-G166 CarbonylContact O-C 3.24Å; D162-G166 VanDerWaalsContact O-C 3.3Å; D162-G166 WeakPolarHBondContact O-CA 3.28Å; D162-G166 PolarHBondContact O-N 3.06Å; D162-C167 HydrophobicContact CB-CB 4.03Å; D162-K169 IonicContact OD2-NZ 2.72Å; D162-K169 PolarHBondContact OD2-NZ 2.81Å
163I97.2Very high96.8Very high0 Ų060.3 Ų60.30%029%0.293CS..Hα-helixtrans-66.2-36.5174.7-68.4155.9000110.5V158 S159 L160 P197 G198 D228 L290V158-I163 HydrophobicContact CB-CD1 4.29Å; V158-I163 HydrophobicContact CB-CG1 4.11Å; V158-I163 HydrophobicContact CG1-CD1 4.38Å; V158-I163 HydrophobicContact CG1-CG1 3.74Å; S159-I163 WeakPolarHBondContact O-CD1 3.26Å; S159-I163 VanDerWaalsContact O-CG1 3.28Å; S159-I163 WeakPolarHBondContact O-CG1 3.41Å; S159-I163 PolarHBondContact O-N 3.22Å; L160-I163 HydrophobicContact CD2-CD1 4.2Å; L160-I163 PolarHBondContact O-N 3.34Å; I163-P197 CarbonylContact O-C 3.57Å; I163-P197 VanDerWaalsContact O-CA 3.31Å; I163-P197 WeakPolarHBondContact O-CA 3.2Å; I163-G198 PolarHBondContact O-N 3.48Å; I163-D228 VanDerWaalsContact CD1-OD1 3.25Å; I163-D228 WeakPolarHBondContact CD1-OD1 3.43Å; I163-L290 HydrophobicContact CG2-CD1 3.92Å; I163-L290 HydrophobicContact CG2-CD2 4.14Å
164N96.8Very high96.6Very high17 Ų1759.5 Ų59.59%0.09129%0.289CS..Hα-helixtrans-67-39.5-179.2-177.544.4000112.2L160 E161 D162 L263 L290 R299L160-N164 WeakPolarHBondContact O-CB 3.4Å; L160-N164 PolarHBondContact O-N 2.84Å; E161-N164 WeakPolarHBondContact O-CB 3.25Å; E161-N164 PolarHBondContact O-N 2.9Å; D162-N164 VanDerWaalsContact C-N 3.31Å; D162-N164 PolarHBondContact O-N 2.83Å; N164-L263 HydrophobicContact CB-CD1 4.41Å; N164-L290 HydrophobicContact CB-CD2 3.77Å; N164-R299 PolarHBondContact OD1-NH2 2.84Å
165K95.3Very high96.4Very high152 Ų15256.5 Ų56.566%0.66127%0.274SS*.Hα-helixtrans-104.2-16.9-174.4-63.9178.1-179.2177.10114.4E161E161-K165 PolarHBondContact O-N 2.89Å; E161-K165 VanDerWaalsContact O-N 3.13Å
166G95.8Very high96.1Very high21 Ų2155.5 Ų55.522%0.21627%0.266CS..  trans79.3154.5-161.900000111.5D162 V195D162-G166 CarbonylContact O-C 3.24Å; D162-G166 VanDerWaalsContact O-C 3.3Å; D162-G166 WeakPolarHBondContact O-CA 3.28Å; D162-G166 PolarHBondContact O-N 3.06Å; G166-V195 CarbonylContact C-O 3.59Å; G166-V195 WeakPolarHBondContact CA-O 3.48Å
167C97.5Very high95.7Very high25 Ų2555.3 Ų55.317%0.16927%0.266CS..EExtended strand (participates in β ladder)trans-156.1162.6175.271.20000111.2D162 K169 V195D162-C167 HydrophobicContact CB-CB 4.03Å; C167-K169 VanDerWaalsContact SG-CE 3.58Å; C167-V195 PolarHBondContact N-O 3.36Å; C167-V195 WeakPolarHBondContact O-CA 3.32Å; C167-V195 WeakPolarHBondContact O-CB 3.22Å; C167-V195 PolarHBondContact O-N 3.17Å
168T97.7Very high95.2Very high94 Ų9452.9 Ų52.958%0.57726%0.257SS*.EExtended strand (participates in β ladder)trans-105.5123.2169.8-54.30000108.9T192 V193 E194T168-T192 HydrophobicContact CG2-CG2 3.35Å; T168-V193 WeakPolarHBondContact CA-O 3.35Å; T168-E194 HydrophobicContact CG2-CG 4.49Å
169K96.7Very high94.4Very high61 Ų6156.9 Ų56.927%0.26528%0.276SS..EExtended strand (participates in β ladder)trans-108.4125.7174.3-63.1-67.6-174.3-165.20108.9L156 D162 C167 V193 V195L156-K169 HydrophobicContact CD1-CB 4.32Å; L156-K169 HydrophobicContact CD1-CG 4.27Å; D162-K169 IonicContact OD2-NZ 2.72Å; D162-K169 PolarHBondContact OD2-NZ 2.81Å; C167-K169 VanDerWaalsContact SG-CE 3.58Å; K169-V193 PolarHBondContact N-O 2.87Å; K169-V193 PolarHBondContact O-N 3.34Å; K169-V195 HydrophobicContact CG-CG2 4.48Å
170R97Very high93.5Very high169 Ų16962.5 Ų62.564%0.63831%0.312SS*.EExtended strand (participates in β ladder)trans-107.6114.6175.4-171.8178.2169.8-170.9-4.2108.6F190R170-F190 HydrophobicContact CG-CB 3.9Å; R170-F190 HydrophobicContact CG-CD1 3.99Å; R170-F190 HydrophobicContact CG-CG 4.32Å; R170-F190 VanDerWaalsContact NE-CB 3.26Å
171L95.7Very high92.8Very high41 Ų4166.9 Ų66.922%0.21534%0.335CS..EExtended strand (participates in β ladder)trans-108.8129.7-171.7-57.4171000108.9L156 F190 L191 V193 F224L156-L171 HydrophobicContact CD1-CD1 3.93Å; L156-L171 HydrophobicContact CD1-CD2 4.06Å; L171-F190 CarbonylContact O-C 3.59Å; L171-F190 VanDerWaalsContact O-CA 3.31Å; L171-F190 WeakPolarHBondContact O-CA 3.45Å; L171-L191 PolarHBondContact N-O 2.83Å; L171-L191 PolarHBondContact O-N 2.76Å; L171-V193 HydrophobicContact CD1-CG2 4.18Å; L171-F224 HydrophobicContact CB-CE1 4.34Å; L171-F224 HydrophobicContact CB-CZ 4.07Å; L171-F224 HydrophobicContact CD1-CD1 3.46Å; L171-F224 VanDerWaalsContact CD1-CD1 3.46Å; L171-F224 HydrophobicContact CD1-CD2 4.11Å; L171-F224 HydrophobicContact CD1-CE1 3.29Å; L171-F224 HydrophobicContact CD1-CE2 3.94Å; L171-F224 HydrophobicContact CD1-CG 3.87Å; L171-F224 HydrophobicContact CD1-CZ 3.53Å; L171-F224 HydrophobicContact CG-CE1 4.38Å; L171-F224 HydrophobicContact CG-CZ 4.44Å
172R95.5Very high91.9Very high157 Ų15766.9 Ų66.959%0.59235%0.35SS*.EExtended strand (participates in β ladder)trans-84.2128.6173.8-178.2176.2169.8-177.5-3.9108.8D188 F190R172-D188 HydrophobicContact CG-CB 4.44Å; R172-D188 VanDerWaalsContact CZ-CG 3.5Å; R172-D188 IonicContact CZ-OD1 3.74Å; R172-D188 IonicContact CZ-OD2 2.83Å; R172-D188 VanDerWaalsContact CZ-OD2 3.28Å; R172-D188 IonicContact NE-OD1 3.88Å; R172-D188 PolarHBondContact NE-OD1 3.05Å; R172-D188 IonicContact NE-OD2 2.86Å; R172-D188 PolarHBondContact NE-OD2 2.64Å; R172-D188 IonicContact NH2-OD1 3.23Å; R172-D188 PolarHBondContact NH2-OD1 3.4Å; R172-D188 VanDerWaalsContact NH2-OD1 3.15Å; R172-D188 IonicContact NH2-OD2 3.52Å; R172-D188 PolarHBondContact NH2-OD2 3.02Å; R172-F190 HydrophobicContact CB-CD1 4Å; R172-F190 HydrophobicContact CB-CE1 3.75Å; R172-F190 HydrophobicContact CB-CZ 4.41Å; R172-F190 HydrophobicContact CG-CE1 4.17Å; R172-F190 HydrophobicContact CG-CZ 4.34Å
173V93.1Very high91.2Very high20 Ų2073.8 Ų73.812%0.12137%0.373CS..EExtended strand (participates in β ladder)trans-120.5130171.3175.60000107K189 L191 I222 F224V173-K189 PolarHBondContact N-O 3.36Å; V173-K189 PolarHBondContact O-N 2.91Å; V173-K189 VanDerWaalsContact O-O 3.08Å; V173-L191 HydrophobicContact CG2-CD1 3.76Å; V173-L191 HydrophobicContact CG2-CG 4.17Å; V173-I222 HydrophobicContact CB-CD1 4.31Å; V173-I222 HydrophobicContact CG1-CD1 3.43Å; V173-I222 VanDerWaalsContact CG1-CD1 3.43Å; V173-I222 HydrophobicContact CG2-CD1 4.11Å; V173-F224 HydrophobicContact CG2-CZ 4.24Å
174T91.7Very high90.6Very high75 Ų7577.1 Ų77.146%0.4640%0.397SS..EExtended strand (participates in β ladder)trans-98.5127.4170.3-52.30000107.6S186 E187 D188T174-S186 WeakPolarHBondContact CG2-OG 3.11Å; T174-E187 WeakPolarHBondContact CA-O 3.22Å; T174-D188 PolarHBondContact OG1-OD1 3.28Å
175R91.8Very high90.2Very high25 Ų2578.9 Ų78.99%0.09440%0.404CS..EExtended strand (participates in β ladder)trans-132155.6-17967.1175.3-177-172.2-0.6111.5T177 S186 E187 E210 D212R175-T177 HydrophobicContact CG-CG2 4.29Å; R175-S186 CarbonylContact O-C 3.58Å; R175-S186 WeakPolarHBondContact O-CA 3.19Å; R175-E187 HydrophobicContact CG-CB 4.49Å; R175-E187 IonicContact CZ-OE2 2.65Å; R175-E187 PolarHBondContact N-O 2.97Å; R175-E187 IonicContact NE-OE2 2.72Å; R175-E187 PolarHBondContact NE-OE2 2.93Å; R175-E187 VanDerWaalsContact NE-OE2 3.08Å; R175-E187 IonicContact NH2-OE2 3.78Å; R175-E187 PolarHBondContact NH2-OE2 3.06Å; R175-E187 PolarHBondContact O-N 2.81Å; R175-E210 IonicContact CZ-OE2 2.96Å; R175-E210 IonicContact NH1-OE2 2.73Å; R175-E210 PolarHBondContact NH1-OE2 2.83Å; R175-D212 VanDerWaalsContact CA-OD1 3.24Å; R175-D212 WeakPolarHBondContact CA-OD1 3.19Å
176Q92.2Very high90.1Very high65 Ų6575.2 Ų75.230%0.30440%0.398SS..EExtended strand (participates in β ladder)trans-84.9133168.2-60.6-61.1-40.700110.2H185 D212 Q213Q176-H185 CarbonylContact C-O 3.59Å; Q176-H185 WeakPolarHBondContact CA-O 3.45Å; Q176-H185 PolarHBondContact OE1-O 2.83Å; Q176-D212 HydrophobicContact CB-CB 4.15Å; Q176-D212 PolarHBondContact N-OD1 3.48Å; Q176-Q213 PolarHBondContact O-N 3.33Å
177T89.9Confident89.9Confident6 Ų677.7 Ų77.74%0.03740%0.404CS..EExtended strand (participates in β ladder)trans-123.7140.8177.329.70000109.1R175 S184 H185 E187 Q213R175-T177 HydrophobicContact CG-CG2 4.29Å; T177-S184 WeakPolarHBondContact O-CA 3.45Å; T177-H185 WeakPolarHBondContact CB-CE1 3.38Å; T177-H185 WeakPolarHBondContact CB-NE2 3.19Å; T177-H185 PolarHBondContact N-O 2.78Å; T177-H185 PolarHBondContact O-CE1 3.01Å; T177-H185 PolarHBondContact O-N 3.38Å; T177-H185 PolarHBondContact O-ND1 3.45Å; T177-H185 PolarHBondContact OG1-CD2 2.95Å; T177-H185 PolarHBondContact OG1-CE1 3.38Å; T177-H185 PolarHBondContact OG1-ND1 2.77Å; T177-H185 PolarHBondContact OG1-NE2 3.17Å; T177-H185 PolarHBondContact OG1-O 3.39Å; T177-E187 HydrophobicContact CG2-CB 4.49Å; T177-Q213 HydrophobicContact CG2-CG 4.29Å
178L86.3Confident89.8Confident61 Ų6179.8 Ų79.832%0.31941%0.413SS..EExtended strand (participates in β ladder)trans-92.1116.5-178.8-173.267.1000109.2P215L178-P215 HydrophobicContact CD1-CG 4.36Å; L178-P215 HydrophobicContact CD2-CB 4.34Å; L178-P215 HydrophobicContact CD2-CG 3.86Å
179H82.3Confident89.6Confident85 Ų8578.4 Ų78.439%0.39440%0.399SS..  trans-78.8160.7172-85.1-50.2000111.2D181 G182 R183 H185H179-D181 WeakPolarHBondContact CB-OD1 3.34Å; H179-D181 PolarHBondContact O-N 3.38Å; H179-D181 VanDerWaalsContact O-N 3.07Å; H179-G182 PolarHBondContact O-N 3.37Å; H179-R183 PolarHBondContact N-O 2.92Å; H179-H185 AromaticContact CD2-CE1 3.3Å; H179-H185 PolarHBondContact CD2-CE1 3.17Å; H179-H185 AromaticContact CD2-CG 3.46Å; H179-H185 VanDerWaalsContact CD2-CG 3.46Å; H179-H185 AromaticContact CD2-ND1 2.94Å; H179-H185 PolarHBondContact CD2-ND1 2.68Å; H179-H185 AromaticContact CD2-NE2 4Å; H179-H185 AromaticContact CE1-CE1 3.14Å; H179-H185 PolarHBondContact CE1-CE1 3.5Å; H179-H185 AromaticContact CE1-ND1 3.65Å; H179-H185 AromaticContact CE1-NE2 3.42Å; H179-H185 PolarHBondContact CE1-NE2 3.38Å; H179-H185 AromaticContact CG-CE1 3.45Å; H179-H185 VanDerWaalsContact CG-CE1 3.45Å; H179-H185 AromaticContact CG-ND1 3.41Å; H179-H185 AromaticContact ND1-CE1 3.37Å; H179-H185 PolarHBondContact ND1-CE1 3.03Å; H179-H185 AromaticContact ND1-ND1 3.82Å; H179-H185 AromaticContact NE2-CD2 3.5Å; H179-H185 PolarHBondContact NE2-CD2 2.89Å; H179-H185 AromaticContact NE2-CE1 3.11Å; H179-H185 PolarHBondContact NE2-CE1 2.75Å; H179-H185 AromaticContact NE2-CG 3.35Å; H179-H185 VanDerWaalsContact NE2-CG 3.35Å; H179-H185 AromaticContact NE2-ND1 3.14Å; H179-H185 PolarHBondContact NE2-ND1 3.5Å; H179-H185 VanDerWaalsContact NE2-ND1 3.14Å; H179-H185 AromaticContact NE2-NE2 3.36Å; H179-H185 PolarHBondContact NE2-NE2 3.39Å
180P79.2Confident89.6Confident138 Ų13880 Ų8090%0.89641%0.406SS*.THydrogen-bonded Turntrans-58.3-19.6177.3-25.134.6000114.8G182P180-G182 PolarHBondContact O-N 2.88Å
181D82.9Confident89.6Confident97 Ų9772.3 Ų72.352%0.51938%0.378SS..THydrogen-bonded Turntrans-78.2-1175.868.2-10.8000113.5H179 R183H179-D181 WeakPolarHBondContact CB-OD1 3.34Å; H179-D181 PolarHBondContact O-N 3.38Å; H179-D181 VanDerWaalsContact O-N 3.07Å; D181-R183 VanDerWaalsContact C-N 3.27Å; D181-R183 PolarHBondContact O-N 3.24Å; D181-R183 WeakPolarHBondContact OD1-CB 3.21Å; D181-R183 PolarHBondContact OD1-N 3Å; D181-R183 WeakPolarHBondContact OD2-CD 3.17Å
182G77.9Confident89.7Confident55 Ų5573.5 Ų73.557%0.56739%0.387SS*.SBendtrans79.92.7-177.900000114.2H179 P180H179-G182 PolarHBondContact O-N 3.37Å; P180-G182 PolarHBondContact O-N 2.88Å
183R83.6Confident89.8Confident185 Ų18566.1 Ų66.170%0.69836%0.359SS*.  trans-90.8141.1178-60.4-177.5-178.8177.80.6110.4H179 D181H179-R183 PolarHBondContact N-O 2.92Å; D181-R183 VanDerWaalsContact C-N 3.27Å; D181-R183 PolarHBondContact O-N 3.24Å; D181-R183 WeakPolarHBondContact OD1-CB 3.21Å; D181-R183 PolarHBondContact OD1-N 3Å; D181-R183 WeakPolarHBondContact OD2-CD 3.17Å
184S84.8Confident90Very high71 Ų7171.5 Ų71.550%0.49738%0.383SS..EExtended strand (participates in β ladder)trans-83.2135.5171.6-60.10000110.1T177T177-S184 WeakPolarHBondContact O-CA 3.45Å
185H88.5Confident90.2Very high54 Ų5468.1 Ų68.125%0.2536%0.362CS..EExtended strand (participates in β ladder)trans-122.1146.5171.363.4-74.2000110.2Q176 T177 H179Q176-H185 CarbonylContact C-O 3.59Å; Q176-H185 WeakPolarHBondContact CA-O 3.45Å; Q176-H185 PolarHBondContact OE1-O 2.83Å; T177-H185 WeakPolarHBondContact CB-CE1 3.38Å; T177-H185 WeakPolarHBondContact CB-NE2 3.19Å; T177-H185 PolarHBondContact N-O 2.78Å; T177-H185 PolarHBondContact O-CE1 3.01Å; T177-H185 PolarHBondContact O-N 3.38Å; T177-H185 PolarHBondContact O-ND1 3.45Å; T177-H185 PolarHBondContact OG1-CD2 2.95Å; T177-H185 PolarHBondContact OG1-CE1 3.38Å; T177-H185 PolarHBondContact OG1-ND1 2.77Å; T177-H185 PolarHBondContact OG1-NE2 3.17Å; T177-H185 PolarHBondContact OG1-O 3.39Å; H179-H185 AromaticContact CD2-CE1 3.3Å; H179-H185 PolarHBondContact CD2-CE1 3.17Å; H179-H185 AromaticContact CD2-CG 3.46Å; H179-H185 VanDerWaalsContact CD2-CG 3.46Å; H179-H185 AromaticContact CD2-ND1 2.94Å; H179-H185 PolarHBondContact CD2-ND1 2.68Å; H179-H185 AromaticContact CD2-NE2 4Å; H179-H185 AromaticContact CE1-CE1 3.14Å; H179-H185 PolarHBondContact CE1-CE1 3.5Å; H179-H185 AromaticContact CE1-ND1 3.65Å; H179-H185 AromaticContact CE1-NE2 3.42Å; H179-H185 PolarHBondContact CE1-NE2 3.38Å; H179-H185 AromaticContact CG-CE1 3.45Å; H179-H185 VanDerWaalsContact CG-CE1 3.45Å; H179-H185 AromaticContact CG-ND1 3.41Å; H179-H185 AromaticContact ND1-CE1 3.37Å; H179-H185 PolarHBondContact ND1-CE1 3.03Å; H179-H185 AromaticContact ND1-ND1 3.82Å; H179-H185 AromaticContact NE2-CD2 3.5Å; H179-H185 PolarHBondContact NE2-CD2 2.89Å; H179-H185 AromaticContact NE2-CE1 3.11Å; H179-H185 PolarHBondContact NE2-CE1 2.75Å; H179-H185 AromaticContact NE2-CG 3.35Å; H179-H185 VanDerWaalsContact NE2-CG 3.35Å; H179-H185 AromaticContact NE2-ND1 3.14Å; H179-H185 PolarHBondContact NE2-ND1 3.5Å; H179-H185 VanDerWaalsContact NE2-ND1 3.14Å; H179-H185 AromaticContact NE2-NE2 3.36Å; H179-H185 PolarHBondContact NE2-NE2 3.39Å
186S91.6Very high90.5Very high75 Ų7573.1 Ų73.152%0.52439%0.385SS..EExtended strand (participates in β ladder)trans-82.5121.7171.4-167.60000109.1T174 R175T174-S186 WeakPolarHBondContact CG2-OG 3.11Å; R175-S186 CarbonylContact O-C 3.58Å; R175-S186 WeakPolarHBondContact O-CA 3.19Å
187E92.9Very high90.7Very high73 Ų7372.2 Ų72.234%0.34138%0.384SS..EExtended strand (participates in β ladder)trans-116.4135.9175.6-175.8-170.4-157.300109.6T174 R175 T177T174-E187 WeakPolarHBondContact CA-O 3.22Å; R175-E187 HydrophobicContact CG-CB 4.49Å; R175-E187 IonicContact CZ-OE2 2.65Å; R175-E187 PolarHBondContact N-O 2.97Å; R175-E187 IonicContact NE-OE2 2.72Å; R175-E187 PolarHBondContact NE-OE2 2.93Å; R175-E187 VanDerWaalsContact NE-OE2 3.08Å; R175-E187 IonicContact NH2-OE2 3.78Å; R175-E187 PolarHBondContact NH2-OE2 3.06Å; R175-E187 PolarHBondContact O-N 2.81Å; T177-E187 HydrophobicContact CG2-CB 4.49Å
188D94.2Very high91Very high69 Ų6971.9 Ų71.937%0.36938%0.382SS..EExtended strand (participates in β ladder)trans-90.8122.3167.9-68.7-58.1000110.9R172 T174R172-D188 HydrophobicContact CG-CB 4.44Å; R172-D188 VanDerWaalsContact CZ-CG 3.5Å; R172-D188 IonicContact CZ-OD1 3.74Å; R172-D188 IonicContact CZ-OD2 2.83Å; R172-D188 VanDerWaalsContact CZ-OD2 3.28Å; R172-D188 IonicContact NE-OD1 3.88Å; R172-D188 PolarHBondContact NE-OD1 3.05Å; R172-D188 IonicContact NE-OD2 2.86Å; R172-D188 PolarHBondContact NE-OD2 2.64Å; R172-D188 IonicContact NH2-OD1 3.23Å; R172-D188 PolarHBondContact NH2-OD1 3.4Å; R172-D188 VanDerWaalsContact NH2-OD1 3.15Å; R172-D188 IonicContact NH2-OD2 3.52Å; R172-D188 PolarHBondContact NH2-OD2 3.02Å; T174-D188 PolarHBondContact OG1-OD1 3.28Å
189K94.2Very high91.5Very high64 Ų6471.1 Ų71.128%0.27838%0.375SS..EExtended strand (participates in β ladder)trans-117143.3173.3-171167.1178.9179.70110.4V173 L191 E210V173-K189 PolarHBondContact N-O 3.36Å; V173-K189 PolarHBondContact O-N 2.91Å; V173-K189 VanDerWaalsContact O-O 3.08Å; K189-L191 HydrophobicContact CD-CD2 4.31Å; K189-L191 HydrophobicContact CG-CD2 4.25Å; K189-E210 VanDerWaalsContact CD-OE2 3.26Å; K189-E210 WeakPolarHBondContact CD-OE2 3.26Å; K189-E210 WeakPolarHBondContact CE-OE1 3.4Å; K189-E210 VanDerWaalsContact CE-OE2 3.32Å; K189-E210 WeakPolarHBondContact CE-OE2 3.47Å; K189-E210 IonicContact NZ-OE1 3.88Å; K189-E210 PolarHBondContact NZ-OE1 3.14Å; K189-E210 IonicContact NZ-OE2 3.92Å; K189-E210 PolarHBondContact NZ-OE2 3.08Å
190F95.9Very high92.2Very high96 Ų9672.6 Ų72.642%0.42138%0.381SS..EExtended strand (participates in β ladder)trans-103.5123.4173.9-67.4-90.5000110.2R170 L171 R172R170-F190 HydrophobicContact CG-CB 3.9Å; R170-F190 HydrophobicContact CG-CD1 3.99Å; R170-F190 HydrophobicContact CG-CG 4.32Å; R170-F190 VanDerWaalsContact NE-CB 3.26Å; L171-F190 CarbonylContact O-C 3.59Å; L171-F190 VanDerWaalsContact O-CA 3.31Å; L171-F190 WeakPolarHBondContact O-CA 3.45Å; R172-F190 HydrophobicContact CB-CD1 4Å; R172-F190 HydrophobicContact CB-CE1 3.75Å; R172-F190 HydrophobicContact CB-CZ 4.41Å; R172-F190 HydrophobicContact CG-CE1 4.17Å; R172-F190 HydrophobicContact CG-CZ 4.34Å
191L96.8Very high92.9Very high6 Ų668.6 Ų68.63%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-102.7130.1174.6-55.9-178.2000109L171 V173 K189 F207 E210 I222 F224L171-L191 PolarHBondContact N-O 2.83Å; L171-L191 PolarHBondContact O-N 2.76Å; V173-L191 HydrophobicContact CG2-CD1 3.76Å; V173-L191 HydrophobicContact CG2-CG 4.17Å; K189-L191 HydrophobicContact CD-CD2 4.31Å; K189-L191 HydrophobicContact CG-CD2 4.25Å; L191-F207 HydrophobicContact CB-CD1 4.2Å; L191-F207 HydrophobicContact CB-CD2 4.45Å; L191-F207 HydrophobicContact CB-CE1 4Å; L191-F207 HydrophobicContact CB-CE2 4.27Å; L191-F207 HydrophobicContact CB-CG 4.42Å; L191-F207 HydrophobicContact CB-CZ 4.04Å; L191-F207 HydrophobicContact CD1-CB 4.04Å; L191-F207 HydrophobicContact CD1-CD1 4.29Å; L191-F207 HydrophobicContact CD1-CD2 4.05Å; L191-F207 HydrophobicContact CD1-CG 3.86Å; L191-F207 HydrophobicContact CD2-CD1 4.02Å; L191-F207 HydrophobicContact CD2-CE1 4.48Å; L191-F207 HydrophobicContact CD2-CG 4.38Å; L191-F207 HydrophobicContact CG-CD1 4.4Å; L191-F207 HydrophobicContact CG-CG 4.45Å; L191-E210 HydrophobicContact CD1-CB 4.2Å; L191-E210 HydrophobicContact CD1-CG 4.31Å; L191-E210 HydrophobicContact CD2-CG 3.94Å; L191-I222 HydrophobicContact CD1-CB 4.37Å; L191-I222 HydrophobicContact CD1-CD1 4.22Å; L191-I222 HydrophobicContact CD1-CG2 4.23Å; L191-F224 HydrophobicContact CB-CE2 4.35Å; L191-F224 HydrophobicContact CD1-CE2 3.95Å; L191-F224 HydrophobicContact CD1-CZ 4.39Å
192T97.6Very high93.5Very high67 Ų6765.9 Ų65.941%0.41135%0.354SS..EExtended strand (participates in β ladder)trans-105.4121.3-176.4-59.90000110T168 F207T168-T192 HydrophobicContact CG2-CG2 3.35Å; T192-F207 WeakPolarHBondContact O-CZ 3.44Å
193V97.7Very high94.4Very high2 Ų265.3 Ų65.31%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-106.8120.3174.7-179.30000109.2L156 T168 K169 L171 V195 W199 I205 F207 F224L156-V193 HydrophobicContact CD2-CB 4.13Å; L156-V193 HydrophobicContact CD2-CG1 3.79Å; L156-V193 HydrophobicContact CD2-CG2 4.28Å; T168-V193 WeakPolarHBondContact CA-O 3.35Å; K169-V193 PolarHBondContact N-O 2.87Å; K169-V193 PolarHBondContact O-N 3.34Å; L171-V193 HydrophobicContact CD1-CG2 4.18Å; V193-V195 HydrophobicContact CG1-CG2 4.03Å; V193-W199 HydrophobicContact CG1-CZ3 4.18Å; V193-I205 HydrophobicContact CG1-CD1 4.22Å; V193-I205 HydrophobicContact CG1-CG1 4.05Å; V193-I205 HydrophobicContact CG1-CG2 4.43Å; V193-I205 HydrophobicContact CG2-CG2 4.34Å; V193-F207 HydrophobicContact CG2-CE2 3.72Å; V193-F207 HydrophobicContact CG2-CZ 3.79Å; V193-F224 HydrophobicContact CG2-CD2 4.18Å
194E97.2Very high95.1Very high132 Ų13263.6 Ų63.662%0.61734%0.337SS*.EExtended strand (participates in β ladder)trans-91.697.9171.5-66.2-177.3-179.900109.8T168 K196 W199T168-E194 HydrophobicContact CG2-CG 4.49Å; E194-K196 PolarHBondContact O-N 2.67Å; E194-W199 WeakPolarHBondContact O-CH2 3.49Å
195V97.2Very high95.7Very high5 Ų561.6 Ų61.63%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-77.9112.3178-179.30000108.9L156 V158 G166 C167 K169 V193 W199L156-V195 HydrophobicContact CD2-CG2 4.37Å; V158-V195 HydrophobicContact CG1-CG1 4.22Å; V158-V195 HydrophobicContact CG2-CG2 4.24Å; G166-V195 CarbonylContact C-O 3.59Å; G166-V195 WeakPolarHBondContact CA-O 3.48Å; C167-V195 PolarHBondContact N-O 3.36Å; C167-V195 WeakPolarHBondContact O-CA 3.32Å; C167-V195 WeakPolarHBondContact O-CB 3.22Å; C167-V195 PolarHBondContact O-N 3.17Å; K169-V195 HydrophobicContact CG-CG2 4.48Å; V193-V195 HydrophobicContact CG1-CG2 4.03Å; V195-W199 HydrophobicContact CB-CE3 4.15Å; V195-W199 HydrophobicContact CB-CZ3 4.32Å; V195-W199 HydrophobicContact CG1-CB 4.33Å; V195-W199 HydrophobicContact CG1-CD2 4.24Å; V195-W199 HydrophobicContact CG1-CE3 3.76Å; V195-W199 HydrophobicContact CG1-CG 4.5Å; V195-W199 HydrophobicContact CG1-CZ3 4.41Å; V195-W199 HydrophobicContact CG2-CE3 4.29Å; V195-W199 HydrophobicContact CG2-CZ3 4.2Å
196K96.8Very high96.1Very high130 Ų13062.5 Ų62.557%0.56533%0.33SS*.  trans-78.2152.7177.9-52.5-175.7176-179.40111.3E194 G198 W199E194-K196 PolarHBondContact O-N 2.67Å; K196-G198 PolarHBondContact O-N 2.77Å; K196-W199 HydrophobicContact CB-CG 4.49Å; K196-W199 HydrophobicContact CB-CZ2 4.41Å; K196-W199 HydrophobicContact CD-CZ2 4.45Å; K196-W199 HydrophobicContact CG-CZ2 3.99Å; K196-W199 PolarHBondContact O-N 3.13Å
197P96.9Very high96.4Very high45 Ų4560.6 Ų60.629%0.29231%0.313SS..THydrogen-bonded Turntrans-52.5136176.5-24.531.8000112.5I163 W199 P291I163-P197 CarbonylContact O-C 3.57Å; I163-P197 VanDerWaalsContact O-CA 3.31Å; I163-P197 WeakPolarHBondContact O-CA 3.2Å; P197-W199 VanDerWaalsContact C-N 3.28Å; P197-W199 PolarHBondContact O-N 3.29Å; P197-P291 HydrophobicContact CB-CB 4.48Å; P197-P291 HydrophobicContact CB-CG 3.69Å
198G96.6Very high96.5Very high0 Ų061.3 Ų61.30%032%0.323CS..THydrogen-bonded Turntrans81.2-2.7173.100000115.4I163 K196 K200 R236 P291 P293I163-G198 PolarHBondContact O-N 3.48Å; K196-G198 PolarHBondContact O-N 2.77Å; G198-K200 PolarHBondContact O-N 3.27Å; G198-R236 PolarHBondContact O-NH2 3.01Å; G198-P291 WeakPolarHBondContact CA-O 3.14Å; G198-P293 VanDerWaalsContact O-CG 3.3Å; G198-P293 WeakPolarHBondContact O-CG 3.46Å
199W96.9Very high96.6Very high45 Ų4562.8 Ų62.817%0.1733%0.328CS..  trans-45.7132.8178.2-90.416.6000112.5V193 E194 V195 K196 P197 T203 I205 V226 R236V193-W199 HydrophobicContact CG1-CZ3 4.18Å; E194-W199 WeakPolarHBondContact O-CH2 3.49Å; V195-W199 HydrophobicContact CB-CE3 4.15Å; V195-W199 HydrophobicContact CB-CZ3 4.32Å; V195-W199 HydrophobicContact CG1-CB 4.33Å; V195-W199 HydrophobicContact CG1-CD2 4.24Å; V195-W199 HydrophobicContact CG1-CE3 3.76Å; V195-W199 HydrophobicContact CG1-CG 4.5Å; V195-W199 HydrophobicContact CG1-CZ3 4.41Å; V195-W199 HydrophobicContact CG2-CE3 4.29Å; V195-W199 HydrophobicContact CG2-CZ3 4.2Å; K196-W199 HydrophobicContact CB-CG 4.49Å; K196-W199 HydrophobicContact CB-CZ2 4.41Å; K196-W199 HydrophobicContact CD-CZ2 4.45Å; K196-W199 HydrophobicContact CG-CZ2 3.99Å; K196-W199 PolarHBondContact O-N 3.13Å; P197-W199 VanDerWaalsContact C-N 3.28Å; P197-W199 PolarHBondContact O-N 3.29Å; W199-T203 HydrophobicContact CD2-CG2 4.05Å; W199-T203 HydrophobicContact CE3-CG2 4.06Å; W199-T203 HydrophobicContact CZ3-CG2 4.39Å; W199-I205 HydrophobicContact CE3-CD1 4.39Å; W199-I205 HydrophobicContact CH2-CD1 4.2Å; W199-I205 HydrophobicContact CH2-CG1 3.87Å; W199-I205 HydrophobicContact CZ3-CD1 3.61Å; W199-I205 HydrophobicContact CZ3-CG1 3.8Å; W199-V226 HydrophobicContact CE3-CG2 3.86Å; W199-V226 HydrophobicContact CZ3-CG2 4.25Å; W199-R236 VanDerWaalsContact O-CZ 3.23Å; W199-R236 PolarHBondContact O-NH1 3.46Å; W199-R236 PolarHBondContact O-NH2 2.96Å
200K95.8Very high96.6Very high116 Ų11661.2 Ų61.250%0.50432%0.322SS..  trans-85.1148.6-177.1-62.5-176.3178.3-173.30110.3G198 G202 T203 P293G198-K200 PolarHBondContact O-N 3.27Å; K200-G202 PolarHBondContact O-N 2.8Å; K200-T203 WeakPolarHBondContact O-CB 3.49Å; K200-T203 PolarHBondContact O-N 3.44Å; K200-T203 PolarHBondContact O-OG1 3.5Å; K200-P293 HydrophobicContact CG-CG 4.3Å
201A95.1Very high96.5Very high54 Ų5456.7 Ų56.745%0.44630%0.302SS..THydrogen-bonded Turntrans-52139.5165.300000110.5V226A201-V226 CarbonylContact C-O 3.55Å; A201-V226 WeakPolarHBondContact CA-O 3.11Å
202G95.8Very high96.3Very high40 Ų4059.1 Ų59.141%0.41232%0.315SS..THydrogen-bonded Turntrans89.8-7.1-174.600000115K200 K204 V226K200-G202 PolarHBondContact O-N 2.8Å; G202-K204 WeakPolarHBondContact O-CG 3.32Å; G202-K204 PolarHBondContact O-N 2.76Å; G202-V226 PolarHBondContact N-O 2.62Å
203T96.7Very high96Very high43 Ų4358.9 Ų58.926%0.26431%0.31SS..  trans-58.4125.9172.4-580000109.7W199 K200 I205 V226W199-T203 HydrophobicContact CD2-CG2 4.05Å; W199-T203 HydrophobicContact CE3-CG2 4.06Å; W199-T203 HydrophobicContact CZ3-CG2 4.39Å; K200-T203 WeakPolarHBondContact O-CB 3.49Å; K200-T203 PolarHBondContact O-N 3.44Å; K200-T203 PolarHBondContact O-OG1 3.5Å; T203-I205 HydrophobicContact CG2-CD1 4.4Å; T203-V226 PolarHBondContact O-N 3.5Å
204K97.5Very high95.5Very high148 Ų14863.3 Ų63.364%0.64333%0.329SS*.EExtended strand (participates in β ladder)trans-103.2135.7-177-56.6-170.4179.6178.10111.1G202 V223 F224 V225G202-K204 WeakPolarHBondContact O-CG 3.32Å; G202-K204 PolarHBondContact O-N 2.76Å; K204-V223 HydrophobicContact CB-CG1 4.02Å; K204-V223 HydrophobicContact CD-CG1 4.38Å; K204-V223 HydrophobicContact CG-CG1 4.46Å; K204-F224 CarbonylContact C-O 3.57Å; K204-F224 WeakPolarHBondContact CA-O 3.31Å; K204-V225 HydrophobicContact CG-CG2 4.24Å
205I97.4Very high94.9Very high29 Ų2960.9 Ų60.915%0.14932%0.324CS..EExtended strand (participates in β ladder)trans-123.5112.6177.2-56.188000107.5V193 W199 T203 F207 V223 F224 V226V193-I205 HydrophobicContact CG1-CD1 4.22Å; V193-I205 HydrophobicContact CG1-CG1 4.05Å; V193-I205 HydrophobicContact CG1-CG2 4.43Å; V193-I205 HydrophobicContact CG2-CG2 4.34Å; W199-I205 HydrophobicContact CE3-CD1 4.39Å; W199-I205 HydrophobicContact CH2-CD1 4.2Å; W199-I205 HydrophobicContact CH2-CG1 3.87Å; W199-I205 HydrophobicContact CZ3-CD1 3.61Å; W199-I205 HydrophobicContact CZ3-CG1 3.8Å; T203-I205 HydrophobicContact CG2-CD1 4.4Å; I205-F207 HydrophobicContact CG2-CD2 4.41Å; I205-F207 HydrophobicContact CG2-CE2 3.71Å; I205-F207 HydrophobicContact CG2-CZ 4.13Å; I205-V223 CarbonylContact O-C 3.56Å; I205-V223 WeakPolarHBondContact O-CA 3.47Å; I205-F224 PolarHBondContact N-O 3.39Å; I205-F224 PolarHBondContact O-N 2.83Å; I205-V226 HydrophobicContact CD1-CG2 3.69Å
206T97.3Very high94.5Very high74 Ų7467.9 Ų67.945%0.45436%0.362SS..EExtended strand (participates in β ladder)trans-102.1128.3-175.7-55.40000110.4D221 I222 V223T206-D221 HydrophobicContact CG2-CB 3.82Å; T206-I222 CarbonylContact C-O 3.3Å; T206-I222 WeakPolarHBondContact CA-O 3.41Å; T206-V223 HydrophobicContact CG2-CG2 3.99Å
207F97.3Very high94.1Very high35 Ų3567.2 Ų67.215%0.15436%0.355CS..EExtended strand (participates in β ladder)trans-106.3108.7168.4-66-92.5000108.6L191 T192 V193 I205 E210 D221 I222 F224L191-F207 HydrophobicContact CB-CD1 4.2Å; L191-F207 HydrophobicContact CB-CD2 4.45Å; L191-F207 HydrophobicContact CB-CE1 4Å; L191-F207 HydrophobicContact CB-CE2 4.27Å; L191-F207 HydrophobicContact CB-CG 4.42Å; L191-F207 HydrophobicContact CB-CZ 4.04Å; L191-F207 HydrophobicContact CD1-CB 4.04Å; L191-F207 HydrophobicContact CD1-CD1 4.29Å; L191-F207 HydrophobicContact CD1-CD2 4.05Å; L191-F207 HydrophobicContact CD1-CG 3.86Å; L191-F207 HydrophobicContact CD2-CD1 4.02Å; L191-F207 HydrophobicContact CD2-CE1 4.48Å; L191-F207 HydrophobicContact CD2-CG 4.38Å; L191-F207 HydrophobicContact CG-CD1 4.4Å; L191-F207 HydrophobicContact CG-CG 4.45Å; T192-F207 WeakPolarHBondContact O-CZ 3.44Å; V193-F207 HydrophobicContact CG2-CE2 3.72Å; V193-F207 HydrophobicContact CG2-CZ 3.79Å; I205-F207 HydrophobicContact CG2-CD2 4.41Å; I205-F207 HydrophobicContact CG2-CE2 3.71Å; I205-F207 HydrophobicContact CG2-CZ 4.13Å; F207-E210 HydrophobicContact CB-CB 4.19Å; F207-E210 HydrophobicContact CB-CG 3.61Å; F207-D221 WeakPolarHBondContact O-CA 3.35Å; F207-I222 HydrophobicContact CB-CB 4.5Å; F207-I222 PolarHBondContact N-O 2.65Å; F207-I222 PolarHBondContact O-N 3Å; F207-F224 AromaticContact CD2-CD2 3.74Å; F207-F224 HydrophobicContact CD2-CD2 3.74Å; F207-F224 AromaticContact CD2-CE2 3.78Å; F207-F224 HydrophobicContact CD2-CE2 3.78Å; F207-F224 AromaticContact CE2-CD2 3.56Å; F207-F224 HydrophobicContact CE2-CD2 3.56Å; F207-F224 AromaticContact CE2-CE2 3.76Å; F207-F224 HydrophobicContact CE2-CE2 3.76Å
208P96.7Very high93.8Very high87 Ų8766.5 Ų66.557%0.56535%0.35SS*.THydrogen-bonded Turntrans-69.8135.1-17227.5-33.6000111.4E210 D221P208-E210 PolarHBondContact O-N 2.95Å; P208-E210 VanDerWaalsContact O-N 3.16Å; P208-D221 WeakPolarHBondContact CA-OD1 2.97Å
209Q94.9Very high93.7Very high101 Ų10167.3 Ų67.347%0.47236%0.356SS..THydrogen-bonded Turntrans55.430.9172.5-54.5178.34.500114.5V218 P219 A220 D221Q209-V218 HydrophobicContact CG-CG1 3.92Å; Q209-P219 HydrophobicContact CB-CB 4.08Å; Q209-P219 HydrophobicContact CB-CG 4.42Å; Q209-A220 CarbonylContact C-O 3.53Å; Q209-A220 VanDerWaalsContact CA-O 3.28Å; Q209-A220 WeakPolarHBondContact CA-O 3.27Å; Q209-D221 PolarHBondContact N-OD1 2.58Å
210E95.2Very high93.5Very high31 Ų3165.4 Ų65.415%0.14535%0.35CS..  trans-91-2.4177.8-66.8-60.6179.700114.2R175 K189 L191 F207 P208 A220 I222R175-E210 IonicContact CZ-OE2 2.96Å; R175-E210 IonicContact NH1-OE2 2.73Å; R175-E210 PolarHBondContact NH1-OE2 2.83Å; K189-E210 VanDerWaalsContact CD-OE2 3.26Å; K189-E210 WeakPolarHBondContact CD-OE2 3.26Å; K189-E210 WeakPolarHBondContact CE-OE1 3.4Å; K189-E210 VanDerWaalsContact CE-OE2 3.32Å; K189-E210 WeakPolarHBondContact CE-OE2 3.47Å; K189-E210 IonicContact NZ-OE1 3.88Å; K189-E210 PolarHBondContact NZ-OE1 3.14Å; K189-E210 IonicContact NZ-OE2 3.92Å; K189-E210 PolarHBondContact NZ-OE2 3.08Å; L191-E210 HydrophobicContact CD1-CB 4.2Å; L191-E210 HydrophobicContact CD1-CG 4.31Å; L191-E210 HydrophobicContact CD2-CG 3.94Å; F207-E210 HydrophobicContact CB-CB 4.19Å; F207-E210 HydrophobicContact CB-CG 3.61Å; P208-E210 PolarHBondContact O-N 2.95Å; P208-E210 VanDerWaalsContact O-N 3.16Å; E210-A220 PolarHBondContact N-O 2.84Å; E210-I222 HydrophobicContact CB-CB 4.34Å; E210-I222 HydrophobicContact CB-CD1 3.82Å; E210-I222 HydrophobicContact CB-CG1 4.01Å; E210-I222 WeakPolarHBondContact O-CD1 3.42Å
211G93.2Very high93.6Very high1 Ų161.1 Ų61.11%0.0133%0.332CS..SBendtrans-72.5-169.2173.400000113.6A220G211-A220 PolarHBondContact N-O 3.34Å
212D92.6Very high93.7Very high56 Ų5658.6 Ų58.630%0.29931%0.311SS..  trans-64.7139.4178.8-66.9-24.8000111.9R175 Q176 F214R175-D212 VanDerWaalsContact CA-OD1 3.24Å; R175-D212 WeakPolarHBondContact CA-OD1 3.19Å; Q176-D212 HydrophobicContact CB-CB 4.15Å; Q176-D212 PolarHBondContact N-OD1 3.48Å; D212-F214 HydrophobicContact CB-CD2 4.37Å; D212-F214 HydrophobicContact CB-CE2 3.55Å; D212-F214 HydrophobicContact CB-CZ 3.69Å
213Q90.3Very high93.8Very high63 Ų6357.2 Ų57.229%0.29430%0.295SS..  trans-95.2123.4176.6-53.6-171.4-4.300110.2Q176 T177 P219Q176-Q213 PolarHBondContact O-N 3.33Å; T177-Q213 HydrophobicContact CG2-CG 4.29Å; Q213-P219 HydrophobicContact CB-CG 4.31Å; Q213-P219 HydrophobicContact CG-CB 4.44Å; Q213-P219 HydrophobicContact CG-CG 3.78Å
214F87.9Confident93.9Very high95 Ų9555.7 Ų55.742%0.41728%0.284SS..  trans-119.7150.4174.5-59.1-76.7000110.5D212 N216 R217D212-F214 HydrophobicContact CB-CD2 4.37Å; D212-F214 HydrophobicContact CB-CE2 3.55Å; D212-F214 HydrophobicContact CB-CZ 3.69Å; F214-N216 PolarHBondContact O-N 2.99Å; F214-R217 HydrophobicContact CB-CB 4.03Å; F214-R217 PolarHBondContact O-N 3.34Å
215P85.7Confident93.9Very high81 Ų8149.3 Ų49.353%0.52626%0.258SS..THydrogen-bonded Turntrans-54.8136.6173.2-2231000111.3L178 R217L178-P215 HydrophobicContact CD1-CG 4.36Å; L178-P215 HydrophobicContact CD2-CB 4.34Å; L178-P215 HydrophobicContact CD2-CG 3.86Å; P215-R217 PolarHBondContact O-N 3.4Å; P215-R217 VanDerWaalsContact O-N 3.15Å
216N87.3Confident93.9Very high152 Ų15248 Ų4881%0.81325%0.251SS*.THydrogen-bonded Turntrans54.829.9177.9-54.5-32.7000114.4V146 F214V146-N216 VanDerWaalsContact CG1-O 3.28Å; V146-N216 WeakPolarHBondContact CG1-O 3.45Å; F214-N216 PolarHBondContact O-N 2.99Å
217R88.6Confident93.9Very high115 Ų11548.3 Ų48.343%0.43425%0.246SC..SBendtrans-138.1138.2177.4-155.2173.1-168.8137.41.5109.9P147 D149 F214 P215P147-R217 VanDerWaalsContact O-CG 3.3Å; P147-R217 WeakPolarHBondContact O-CG 3.43Å; D149-R217 IonicContact OD1-CZ 2.82Å; D149-R217 IonicContact OD1-NE 3.41Å; D149-R217 PolarHBondContact OD1-NE 2.85Å; D149-R217 IonicContact OD1-NH2 3.73Å; D149-R217 PolarHBondContact OD1-NH2 2.81Å; D149-R217 VanDerWaalsContact OD2-CD 3.28Å; D149-R217 WeakPolarHBondContact OD2-CD 3.48Å; D149-R217 IonicContact OD2-CZ 2.76Å; D149-R217 IonicContact OD2-NE 2.69Å; D149-R217 PolarHBondContact OD2-NE 3.05Å; D149-R217 IonicContact OD2-NH2 3.08Å; F214-R217 HydrophobicContact CB-CB 4.03Å; F214-R217 PolarHBondContact O-N 3.34Å; P215-R217 PolarHBondContact O-N 3.4Å; P215-R217 VanDerWaalsContact O-N 3.15Å
218V91.7Very high93.9Very high30 Ų3049.1 Ų49.118%0.18225%0.252CS..BIsolated β-bridgetrans-77.5129.1172.8-179.20000108.1V146 P147 K148 Q209V146-V218 HydrophobicContact CB-CG2 4.09Å; V146-V218 HydrophobicContact CG1-CG2 3.85Å; P147-V218 PolarHBondContact O-N 3.39Å; K148-V218 HydrophobicContact CB-CB 3.93Å; K148-V218 HydrophobicContact CB-CG1 4.38Å; K148-V218 HydrophobicContact CD-CB 4.46Å; K148-V218 HydrophobicContact CD-CG1 3.99Å; K148-V218 HydrophobicContact CG-CB 3.94Å; K148-V218 HydrophobicContact CG-CG1 3.93Å; Q209-V218 HydrophobicContact CG-CG1 3.92Å
219P93.3Very high94Very high18 Ų1850.7 Ų50.712%0.11725%0.25CS..PPolyproline II helixtrans-58.1147.3179.1-23.933.9000112.3K148 Q209 Q213K148-P219 WeakPolarHBondContact CE-O 3.33Å; Q209-P219 HydrophobicContact CB-CB 4.08Å; Q209-P219 HydrophobicContact CB-CG 4.42Å; Q213-P219 HydrophobicContact CB-CG 4.31Å; Q213-P219 HydrophobicContact CG-CB 4.44Å; Q213-P219 HydrophobicContact CG-CG 3.78Å
220A94.1Very high94.1Very high5 Ų551.4 Ų51.44%0.04126%0.263CS..PPolyproline II helixtrans-63.6153.2176.100000111.5D149 L152 Q209 E210 G211D149-A220 HydrophobicContact CB-CB 3.84Å; L152-A220 HydrophobicContact CD1-CB 4.46Å; L152-A220 HydrophobicContact CG-CB 4.2Å; Q209-A220 CarbonylContact C-O 3.53Å; Q209-A220 VanDerWaalsContact CA-O 3.28Å; Q209-A220 WeakPolarHBondContact CA-O 3.27Å; E210-A220 PolarHBondContact N-O 2.84Å; G211-A220 PolarHBondContact N-O 3.34Å
221D97.1Very high94.2Very high25 Ų2551.7 Ų51.713%0.13427%0.265CS..PPolyproline II helixtrans-79.6146.9167.3-60.8-20.6000109.7K148 P151 L152 T206 F207 P208 Q209K148-D221 VanDerWaalsContact CE-OD1 3.29Å; K148-D221 WeakPolarHBondContact CE-OD1 3.27Å; K148-D221 IonicContact NZ-OD1 3.41Å; K148-D221 PolarHBondContact NZ-OD1 2.79Å; K148-D221 IonicContact NZ-OD2 2.86Å; K148-D221 PolarHBondContact NZ-OD2 2.91Å; P151-D221 CarbonylContact C-O 3.55Å; P151-D221 VanDerWaalsContact CA-O 3.27Å; P151-D221 WeakPolarHBondContact CA-O 3.22Å; P151-D221 HydrophobicContact CB-CB 4.31Å; L152-D221 PolarHBondContact N-O 2.83Å; T206-D221 HydrophobicContact CG2-CB 3.82Å; F207-D221 WeakPolarHBondContact O-CA 3.35Å; P208-D221 WeakPolarHBondContact CA-OD1 2.97Å; Q209-D221 PolarHBondContact N-OD1 2.58Å
222I97.1Very high94.4Very high1 Ų159 Ų591%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-101.5125.7170.2-63.7-176.5000108.3L152 V173 L191 T206 F207 E210 F224L152-I222 HydrophobicContact CB-CG1 4.41Å; L152-I222 HydrophobicContact CD1-CG1 4.42Å; L152-I222 CarbonylContact O-C 3.52Å; L152-I222 WeakPolarHBondContact O-CA 3.45Å; V173-I222 HydrophobicContact CB-CD1 4.31Å; V173-I222 HydrophobicContact CG1-CD1 3.43Å; V173-I222 VanDerWaalsContact CG1-CD1 3.43Å; V173-I222 HydrophobicContact CG2-CD1 4.11Å; L191-I222 HydrophobicContact CD1-CB 4.37Å; L191-I222 HydrophobicContact CD1-CD1 4.22Å; L191-I222 HydrophobicContact CD1-CG2 4.23Å; T206-I222 CarbonylContact C-O 3.3Å; T206-I222 WeakPolarHBondContact CA-O 3.41Å; F207-I222 HydrophobicContact CB-CB 4.5Å; F207-I222 PolarHBondContact N-O 2.65Å; F207-I222 PolarHBondContact O-N 3Å; E210-I222 HydrophobicContact CB-CB 4.34Å; E210-I222 HydrophobicContact CB-CD1 3.82Å; E210-I222 HydrophobicContact CB-CG1 4.01Å; E210-I222 WeakPolarHBondContact O-CD1 3.42Å; I222-F224 HydrophobicContact CG2-CD2 4.3Å; I222-F224 HydrophobicContact CG2-CE2 3.68Å; I222-F224 HydrophobicContact CG2-CZ 3.81Å
223V98Very high94.6Very high12 Ų1259.8 Ų59.87%0.07330%0.302CS..EExtended strand (participates in β ladder)trans-118.8119.1-177.6-177.80000109.5P151 L152 V153 H154 K204 I205 T206 V225P151-V223 HydrophobicContact CB-CG2 3.75Å; L152-V223 PolarHBondContact O-N 3.02Å; V153-V223 CarbonylContact C-O 3.54Å; V153-V223 WeakPolarHBondContact CA-O 3.47Å; V153-V223 HydrophobicContact CG2-CB 4.41Å; H154-V223 PolarHBondContact N-O 3.34Å; K204-V223 HydrophobicContact CB-CG1 4.02Å; K204-V223 HydrophobicContact CD-CG1 4.38Å; K204-V223 HydrophobicContact CG-CG1 4.46Å; I205-V223 CarbonylContact O-C 3.56Å; I205-V223 WeakPolarHBondContact O-CA 3.47Å; T206-V223 HydrophobicContact CG2-CG2 3.99Å; V223-V225 HydrophobicContact CG1-CG2 4.35Å
224F98.1Very high95Very high10 Ų1057.4 Ų57.44%0.04429%0.291CS..EExtended strand (participates in β ladder)trans-93129.4169.3-64.5-78.4000110.4H154 L156 L171 V173 L191 V193 K204 I205 F207 I222H154-F224 HydrophobicContact CB-CD1 3.74Å; H154-F224 HydrophobicContact CB-CE1 3.77Å; H154-F224 CarbonylContact O-C 3.55Å; H154-F224 VanDerWaalsContact O-CA 3.26Å; H154-F224 WeakPolarHBondContact O-CA 3.41Å; L156-F224 HydrophobicContact CB-CB 4.22Å; L171-F224 HydrophobicContact CB-CE1 4.34Å; L171-F224 HydrophobicContact CB-CZ 4.07Å; L171-F224 HydrophobicContact CD1-CD1 3.46Å; L171-F224 VanDerWaalsContact CD1-CD1 3.46Å; L171-F224 HydrophobicContact CD1-CD2 4.11Å; L171-F224 HydrophobicContact CD1-CE1 3.29Å; L171-F224 HydrophobicContact CD1-CE2 3.94Å; L171-F224 HydrophobicContact CD1-CG 3.87Å; L171-F224 HydrophobicContact CD1-CZ 3.53Å; L171-F224 HydrophobicContact CG-CE1 4.38Å; L171-F224 HydrophobicContact CG-CZ 4.44Å; V173-F224 HydrophobicContact CG2-CZ 4.24Å; L191-F224 HydrophobicContact CB-CE2 4.35Å; L191-F224 HydrophobicContact CD1-CE2 3.95Å; L191-F224 HydrophobicContact CD1-CZ 4.39Å; V193-F224 HydrophobicContact CG2-CD2 4.18Å; K204-F224 CarbonylContact C-O 3.57Å; K204-F224 WeakPolarHBondContact CA-O 3.31Å; I205-F224 PolarHBondContact N-O 3.39Å; I205-F224 PolarHBondContact O-N 2.83Å; F207-F224 AromaticContact CD2-CD2 3.74Å; F207-F224 HydrophobicContact CD2-CD2 3.74Å; F207-F224 AromaticContact CD2-CE2 3.78Å; F207-F224 HydrophobicContact CD2-CE2 3.78Å; F207-F224 AromaticContact CE2-CD2 3.56Å; F207-F224 HydrophobicContact CE2-CD2 3.56Å; F207-F224 AromaticContact CE2-CE2 3.76Å; F207-F224 HydrophobicContact CE2-CE2 3.76Å; I222-F224 HydrophobicContact CG2-CD2 4.3Å; I222-F224 HydrophobicContact CG2-CE2 3.68Å; I222-F224 HydrophobicContact CG2-CZ 3.81Å
225V98.1Very high95.4Very high15 Ų1560.6 Ų60.69%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-108.4118.5176.6-174.70000108.6V153 H154 L156 K204 V223 K227V153-V225 HydrophobicContact CG1-CG2 3.55Å; H154-V225 PolarHBondContact O-N 3.34Å; L156-V225 PolarHBondContact N-O 2.91Å; K204-V225 HydrophobicContact CG-CG2 4.24Å; V223-V225 HydrophobicContact CG1-CG2 4.35Å; V225-K227 PolarHBondContact O-N 3.18Å
226V97.8Very high96Very high0 Ų058 Ų580%028%0.28CS..EExtended strand (participates in β ladder)trans-64.5128.4179.4176.90000110L156 V158 W199 A201 G202 T203 I205L156-V226 WeakPolarHBondContact O-CA 3.09Å; V158-V226 HydrophobicContact CG2-CG1 4.06Å; W199-V226 HydrophobicContact CE3-CG2 3.86Å; W199-V226 HydrophobicContact CZ3-CG2 4.25Å; A201-V226 CarbonylContact C-O 3.55Å; A201-V226 WeakPolarHBondContact CA-O 3.11Å; G202-V226 PolarHBondContact N-O 2.62Å; T203-V226 PolarHBondContact O-N 3.5Å; I205-V226 HydrophobicContact CD1-CG2 3.69Å
227K97.8Very high96.5Very high81 Ų8155.2 Ų55.235%0.35227%0.265SS..EExtended strand (participates in β ladder)trans-123.1143.6172.1-63-66.4-173.2171.50109.2D155 L156 F157 V158 V225 K229D155-K227 HydrophobicContact CB-CG 3.91Å; D155-K227 WeakPolarHBondContact OD1-CE 3.38Å; L156-K227 PolarHBondContact O-N 3.45Å; F157-K227 CarbonylContact C-O 3.58Å; F157-K227 WeakPolarHBondContact CA-O 3.36Å; F157-K227 HydrophobicContact CD1-CB 3.66Å; F157-K227 HydrophobicContact CE1-CB 3.74Å; F157-K227 HydrophobicContact CE1-CG 4.29Å; F157-K227 HydrophobicContact CG-CB 4.29Å; F157-K227 HydrophobicContact CZ-CB 4.41Å; V158-K227 PolarHBondContact N-O 2.94Å; V225-K227 PolarHBondContact O-N 3.18Å; K227-K229 PolarHBondContact O-N 3.08Å
228D96.9Very high96.8Very high53 Ų5351.6 Ų51.628%0.28326%0.264SS..EExtended strand (participates in β ladder)trans-70.5125.8171.2-62.4-42.4000108.5I163 R236I163-D228 VanDerWaalsContact CD1-OD1 3.25Å; I163-D228 WeakPolarHBondContact CD1-OD1 3.43Å; D228-R236 WeakPolarHBondContact OD1-CD 3.42Å; D228-R236 IonicContact OD1-CZ 2.62Å; D228-R236 IonicContact OD1-NH1 3.97Å; D228-R236 PolarHBondContact OD1-NH1 2.9Å; D228-R236 VanDerWaalsContact OD2-CD 3.32Å; D228-R236 WeakPolarHBondContact OD2-CD 3.3Å
229K97.7Very high97.1Very high120 Ų12050.7 Ų50.752%0.52226%0.258SS..PPolyproline II helixtrans-69.2130.6169.1-175179.7177.2-179.30107.9F157 V158 K227 H231F157-K229 HydrophobicContact CB-CB 4.25Å; V158-K229 WeakPolarHBondContact O-CB 3.14Å; V158-K229 PolarHBondContact O-N 3.26Å; K227-K229 PolarHBondContact O-N 3.08Å; K229-H231 PolarHBondContact O-N 3.21Å
230P97.4Very high97.3Very high115 Ų11551.6 Ų51.675%0.74726%0.262SS*.PPolyproline II helixtrans-51.7129.8175.9-27.835.2000111.4
231H97.8Very high97.5Very high38 Ų3851.4 Ų51.418%0.17626%0.26CS..  trans-110.4140.3-179.9-172.7-86.2000110.1L160 E161 K229 L233 F234L160-H231 HydrophobicContact CD1-CB 3.78Å; L160-H231 HydrophobicContact CG-CB 4.25Å; E161-H231 IonicContact OE1-CD2 3.11Å; E161-H231 PolarHBondContact OE1-CD2 3.3Å; E161-H231 IonicContact OE1-NE2 2.76Å; E161-H231 PolarHBondContact OE1-NE2 3.45Å; E161-H231 VanDerWaalsContact OE1-NE2 3.11Å; E161-H231 IonicContact OE2-CD2 2.95Å; K229-H231 PolarHBondContact O-N 3.21Å; H231-L233 PolarHBondContact ND1-N 3.29Å; H231-L233 VanDerWaalsContact ND1-N 3.16Å; H231-L233 PolarHBondContact O-N 3.21Å; H231-F234 WeakPolarHBondContact CB-O 3.38Å; H231-F234 AromaticContact CE1-CD2 3.22Å; H231-F234 WeakPolarHBondContact CE1-CD2 3.27Å; H231-F234 AromaticContact CE1-CE2 3.84Å; H231-F234 AromaticContact ND1-CD2 3.4Å; H231-F234 WeakPolarHBondContact ND1-CD2 3.48Å; H231-F234 AromaticContact ND1-CG 3.81Å; H231-F234 PolarHBondContact ND1-N 2.99Å
232H97Very high97.6Very high155 Ų15551 Ų5172%0.71826%0.258SS*.SBendtrans-72-26.5-171.263.8-66000114.4
233L96.9Very high97.6Very high71 Ų7152.8 Ų52.837%0.37227%0.265SS..SBendtrans-113.1-27.1179.9-60172000114H231 Y243 P261H231-L233 PolarHBondContact ND1-N 3.29Å; H231-L233 VanDerWaalsContact ND1-N 3.16Å; H231-L233 PolarHBondContact O-N 3.21Å; L233-Y243 HydrophobicContact CB-CD2 4.27Å; L233-Y243 HydrophobicContact CB-CE2 4.22Å; L233-Y243 HydrophobicContact CD2-CE2 4.35Å; L233-Y243 WeakPolarHBondContact O-CD2 3.35Å; L233-P261 HydrophobicContact CD1-CG 4.17Å
234F98.2Very high97.6Very high13 Ų1355.6 Ų55.66%0.05728%0.282CS..EExtended strand (participates in β ladder)trans-124.9142.8-162.3-59.1-60.6000109.6L160 H231 I242 Y243 P261 L263 L302L160-F234 HydrophobicContact CD1-CB 3.77Å; H231-F234 WeakPolarHBondContact CB-O 3.38Å; H231-F234 AromaticContact CE1-CD2 3.22Å; H231-F234 WeakPolarHBondContact CE1-CD2 3.27Å; H231-F234 AromaticContact CE1-CE2 3.84Å; H231-F234 AromaticContact ND1-CD2 3.4Å; H231-F234 WeakPolarHBondContact ND1-CD2 3.48Å; H231-F234 AromaticContact ND1-CG 3.81Å; H231-F234 PolarHBondContact ND1-N 2.99Å; F234-I242 CarbonylContact C-O 3.5Å; F234-I242 VanDerWaalsContact CA-O 3.27Å; F234-I242 WeakPolarHBondContact CA-O 3.35Å; F234-Y243 HydrophobicContact CD1-CD2 4.03Å; F234-Y243 HydrophobicContact CD1-CG 4.37Å; F234-Y243 AromaticContact CE1-CD2 3.81Å; F234-Y243 HydrophobicContact CE1-CD2 3.81Å; F234-Y243 HydrophobicContact CE1-CG 4.08Å; F234-P261 HydrophobicContact CE1-CG 4.15Å; F234-P261 HydrophobicContact CZ-CB 4.04Å; F234-P261 HydrophobicContact CZ-CG 3.89Å; F234-L263 HydrophobicContact CD2-CD2 3.63Å; F234-L263 HydrophobicContact CD2-CG 4.27Å; F234-L263 HydrophobicContact CE2-CD2 3.95Å; F234-L263 HydrophobicContact CE2-CG 4.37Å; F234-L302 HydrophobicContact CD1-CD1 4.47Å; F234-L302 HydrophobicContact CE1-CD1 4.21Å
235R97.6Very high97.6Very high162 Ų16255.4 Ų55.461%0.61128%0.282SS*.EExtended strand (participates in β ladder)trans-111.5137.1166.4-164.2-175.191.5-166.96.4108.5I241 I242R235-I241 CarbonylContact O-C 3.6Å; R235-I241 WeakPolarHBondContact O-CA 3.5Å; R235-I242 HydrophobicContact CB-CB 4.36Å; R235-I242 PolarHBondContact N-O 3.43Å; R235-I242 PolarHBondContact O-N 3.31Å
236R97.8Very high97.6Very high28 Ų2857.7 Ų57.711%0.10630%0.299CS..EExtended strand (participates in β ladder)trans-77.8141.5171.4-167.4-179.3-178.6170.85.5110.6L160 G198 W199 D228 G238 L290L160-R236 HydrophobicContact CD2-CB 3.89Å; L160-R236 HydrophobicContact CD2-CG 4.3Å; G198-R236 PolarHBondContact O-NH2 3.01Å; W199-R236 VanDerWaalsContact O-CZ 3.23Å; W199-R236 PolarHBondContact O-NH1 3.46Å; W199-R236 PolarHBondContact O-NH2 2.96Å; D228-R236 WeakPolarHBondContact OD1-CD 3.42Å; D228-R236 IonicContact OD1-CZ 2.62Å; D228-R236 IonicContact OD1-NH1 3.97Å; D228-R236 PolarHBondContact OD1-NH1 2.9Å; D228-R236 VanDerWaalsContact OD2-CD 3.32Å; D228-R236 WeakPolarHBondContact OD2-CD 3.3Å; R236-G238 PolarHBondContact NE-O 2.84Å; R236-G238 PolarHBondContact NH2-O 3.03Å; R236-L290 HydrophobicContact CG-CD1 3.84Å; R236-L290 VanDerWaalsContact NE-CD1 3.31Å
237D96.9Very high97.6Very high92 Ų9258 Ų5849%0.49230%0.301SS..EExtended strand (participates in β ladder)trans-137.296165-168.81.3000109.5S239 D240 I242D237-S239 PolarHBondContact O-N 3.05Å; D237-S239 VanDerWaalsContact O-N 3.09Å; D237-D240 PolarHBondContact N-O 3.38Å; D237-D240 WeakPolarHBondContact O-CA 3.37Å; D237-D240 WeakPolarHBondContact O-CB 3.49Å; D237-D240 PolarHBondContact O-N 2.91Å; D237-I242 HydrophobicContact CB-CD1 3.75Å; D237-I242 HydrophobicContact CB-CG1 4.27Å
238G95.7Very high97.6Very high40 Ų4056 Ų5641%0.41230%0.296SS..THydrogen-bonded Turntrans61.3-112.9-172.500000112.6R236R236-G238 PolarHBondContact NE-O 2.84Å; R236-G238 PolarHBondContact NH2-O 3.03Å
239S97.4Very high97.5Very high10 Ų1055.7 Ų55.77%0.0729%0.294CS..THydrogen-bonded Turntrans-97.2-9.2173.8-61.20000112.7D237 L290 Y292D237-S239 PolarHBondContact O-N 3.05Å; D237-S239 VanDerWaalsContact O-N 3.09Å; S239-L290 WeakPolarHBondContact O-CB 3.33Å; S239-L290 PolarHBondContact O-N 3.02Å; S239-Y292 WeakPolarHBondContact OG-CD1 3.44Å; S239-Y292 WeakPolarHBondContact OG-CE1 3.44Å
240D98.1Very high97.4Very high38 Ų3858.4 Ų58.420%0.20330%0.301CS..EExtended strand (participates in β ladder)trans-87.9158.7177.4-62.7-15000109.8D237 G300 D301 I303D237-D240 PolarHBondContact N-O 3.38Å; D237-D240 WeakPolarHBondContact O-CA 3.37Å; D237-D240 WeakPolarHBondContact O-CB 3.49Å; D237-D240 PolarHBondContact O-N 2.91Å; D240-G300 WeakPolarHBondContact OD1-CA 3.44Å; D240-D301 VanDerWaalsContact CA-O 3.3Å; D240-D301 WeakPolarHBondContact CA-O 3.19Å; D240-D301 WeakPolarHBondContact CB-O 3.35Å; D240-D301 PolarHBondContact OD1-N 2.82Å; D240-I303 HydrophobicContact CB-CG1 4Å
241I98Very high97.5Very high0 Ų055 Ų550%028%0.277CS..EExtended strand (participates in β ladder)trans-122.9136.517161.1177.8000109R235 L263 H288 L290 D301 L302 I303R235-I241 CarbonylContact O-C 3.6Å; R235-I241 WeakPolarHBondContact O-CA 3.5Å; I241-L263 HydrophobicContact CD1-CB 4.41Å; I241-L263 HydrophobicContact CD1-CD1 3.72Å; I241-L263 HydrophobicContact CD1-CG 3.62Å; I241-L263 HydrophobicContact CG2-CD1 3.99Å; I241-H288 WeakPolarHBondContact CD1-O 3.46Å; I241-L290 HydrophobicContact CG2-CD1 4.24Å; I241-L290 HydrophobicContact CG2-CG 3.91Å; I241-D301 PolarHBondContact N-O 3.28Å; I241-L302 HydrophobicContact CD1-CB 4.35Å; I241-L302 HydrophobicContact CD1-CD1 3.98Å; I241-L302 HydrophobicContact CG1-CB 4.09Å; I241-L302 HydrophobicContact CG1-CD1 3.74Å; I241-L302 WeakPolarHBondContact O-CA 3.12Å; I241-I303 WeakPolarHBondContact O-CB 3.23Å; I241-I303 PolarHBondContact O-N 2.65Å
242I98.6Very high97.4Very high18 Ų1853.2 Ų53.29%0.09227%0.269CS..EExtended strand (participates in β ladder)trans-105.8127.1-177.9-59.1170.4000108.3F234 R235 D237 I303 T305F234-I242 CarbonylContact C-O 3.5Å; F234-I242 VanDerWaalsContact CA-O 3.27Å; F234-I242 WeakPolarHBondContact CA-O 3.35Å; R235-I242 HydrophobicContact CB-CB 4.36Å; R235-I242 PolarHBondContact N-O 3.43Å; R235-I242 PolarHBondContact O-N 3.31Å; D237-I242 HydrophobicContact CB-CD1 3.75Å; D237-I242 HydrophobicContact CB-CG1 4.27Å; I242-I303 CarbonylContact C-O 3.6Å; I242-I303 VanDerWaalsContact CA-O 3.24Å; I242-I303 WeakPolarHBondContact CA-O 3.24Å; I242-I303 HydrophobicContact CG1-CB 4.16Å; I242-I303 HydrophobicContact CG1-CG2 4.09Å; I242-T305 HydrophobicContact CG2-CG2 3.85Å
243Y98.5Very high97.4Very high37 Ų3749.1 Ų49.115%0.14525%0.252CS..EExtended strand (participates in β ladder)trans-111.6127.8168.3179.3-116.6000108.9L233 F234 V245 V260 P261 I303 V304 T305L233-Y243 HydrophobicContact CB-CD2 4.27Å; L233-Y243 HydrophobicContact CB-CE2 4.22Å; L233-Y243 HydrophobicContact CD2-CE2 4.35Å; L233-Y243 WeakPolarHBondContact O-CD2 3.35Å; F234-Y243 HydrophobicContact CD1-CD2 4.03Å; F234-Y243 HydrophobicContact CD1-CG 4.37Å; F234-Y243 AromaticContact CE1-CD2 3.81Å; F234-Y243 HydrophobicContact CE1-CD2 3.81Å; F234-Y243 HydrophobicContact CE1-CG 4.08Å; Y243-V245 HydrophobicContact CD1-CG2 3.79Å; Y243-V245 HydrophobicContact CE1-CG2 3.49Å; Y243-V245 VanDerWaalsContact CE1-CG2 3.49Å; Y243-V260 HydrophobicContact CD1-CG1 3.97Å; Y243-V260 HydrophobicContact CE1-CG1 4.44Å; Y243-P261 HydrophobicContact CD2-CG 4.01Å; Y243-P261 VanDerWaalsContact CE1-CD 3.43Å; Y243-P261 HydrophobicContact CE1-CG 4.22Å; Y243-P261 HydrophobicContact CE2-CG 3.62Å; Y243-P261 HydrophobicContact CG-CG 4.49Å; Y243-I303 PolarHBondContact N-O 3.4Å; Y243-V304 HydrophobicContact CD1-CG1 4.36Å; Y243-V304 WeakPolarHBondContact O-CA 3.33Å; Y243-T305 PolarHBondContact O-N 2.6Å; Y243-T305 PolarHBondContact O-OG1 3.15Å
244T98.1Very high97.4Very high71 Ų7150.6 Ų50.644%0.43627%0.267SS..EExtended strand (participates in β ladder)trans-104.7112.1179.2-57.20000110.3T305 N307T244-T305 CarbonylContact C-O 3.56Å; T244-T305 WeakPolarHBondContact CA-O 3.46Å; T244-T305 WeakPolarHBondContact CA-OG1 3.33Å; T244-T305 PolarHBondContact OG1-OG1 2.88Å; T244-N307 HydrophobicContact CG2-CB 3.86Å
245V97.7Very high97.3Very high6 Ų651.1 Ų51.14%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-81.2123.7173.4-179.80000108.7Y243 L247 V258 V304 T305 F306 N307Y243-V245 HydrophobicContact CD1-CG2 3.79Å; Y243-V245 HydrophobicContact CE1-CG2 3.49Å; Y243-V245 VanDerWaalsContact CE1-CG2 3.49Å; V245-L247 HydrophobicContact CG1-CD2 3.5Å; V245-L247 VanDerWaalsContact CG1-CD2 3.5Å; V245-L247 HydrophobicContact CG1-CG 3.76Å; V245-V258 HydrophobicContact CG1-CG1 3.87Å; V245-V258 HydrophobicContact CG1-CG2 4.09Å; V245-V258 HydrophobicContact CG2-CG1 4.06Å; V245-V304 HydrophobicContact CG2-CG1 3.58Å; V245-T305 PolarHBondContact N-O 3.17Å; V245-F306 HydrophobicContact CB-CD1 3.84Å; V245-F306 HydrophobicContact CB-CE1 4.07Å; V245-F306 HydrophobicContact CG1-CD1 4.28Å; V245-F306 HydrophobicContact CG1-CE1 4.47Å; V245-F306 HydrophobicContact CG2-CD1 4.5Å; V245-F306 HydrophobicContact CG2-CE1 4.27Å; V245-F306 WeakPolarHBondContact O-CA 3.27Å; V245-N307 PolarHBondContact O-N 3.41Å
246S97.2Very high97.3Very high63 Ų6345.2 Ų45.244%0.44126%0.258SS..EExtended strand (participates in β ladder)trans-89.2115.1170-72.10000110.1N307S246-N307 WeakPolarHBondContact CA-O 3.48Å
247L97.7Very high97.3Very high8 Ų847.9 Ų47.94%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-112.1150.6178.3-63.5-176.9000111V245 V256 V258 L273 F306 N307 I308 K309V245-L247 HydrophobicContact CG1-CD2 3.5Å; V245-L247 VanDerWaalsContact CG1-CD2 3.5Å; V245-L247 HydrophobicContact CG1-CG 3.76Å; L247-V256 HydrophobicContact CD1-CG1 4.15Å; L247-V256 HydrophobicContact CD2-CG1 3.82Å; L247-V258 HydrophobicContact CD2-CG2 3.99Å; L247-L273 HydrophobicContact CD1-CD1 3.85Å; L247-F306 HydrophobicContact CD1-CD1 3.79Å; L247-F306 HydrophobicContact CD1-CE1 4.32Å; L247-F306 HydrophobicContact CG-CD1 4.35Å; L247-N307 PolarHBondContact N-O 2.81Å; L247-I308 HydrophobicContact CB-CD1 4.02Å; L247-I308 HydrophobicContact CD1-CD1 4.41Å; L247-K309 WeakPolarHBondContact O-CB 3.43Å; L247-K309 PolarHBondContact O-N 2.8Å
248S97.7Very high97.3Very high38 Ų3844.6 Ų44.627%0.26626%0.261SS..EExtended strand (participates in β ladder)trans-72.9155163.975.30000110R250 D251 A252S248-R250 PolarHBondContact O-N 2.85Å; S248-D251 PolarHBondContact O-N 2.8Å; S248-D251 VanDerWaalsContact O-N 3.16Å; S248-D251 PolarHBondContact OG-N 2.83Å; S248-D251 VanDerWaalsContact OG-N 3.14Å; S248-D251 PolarHBondContact OG-OD1 2.76Å; S248-D251 PolarHBondContact OG-OD2 2.79Å; S248-A252 WeakPolarHBondContact O-CB 3.46Å; S248-A252 PolarHBondContact O-N 2.86Å
249L96.4Very high97.4Very high46 Ų4647.5 Ų47.524%0.24127%0.267CS..Hα-helixtrans-53.8-39.9173.6179.162.9000112A252 L253 I308 K309 F310L249-A252 PolarHBondContact O-N 2.99Å; L249-L253 HydrophobicContact CD1-CD1 3.97Å; L249-L253 HydrophobicContact CD1-CG 4.12Å; L249-L253 HydrophobicContact CG-CD1 3.94Å; L249-L253 HydrophobicContact CG-CG 4.45Å; L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 2.82Å; L249-I308 HydrophobicContact CB-CG2 4.3Å; L249-I308 HydrophobicContact CD1-CG2 4.07Å; L249-K309 PolarHBondContact N-O 3.15Å; L249-K309 VanDerWaalsContact N-O 3.14Å; L249-F310 HydrophobicContact CD1-CD1 4.42Å; L249-F310 HydrophobicContact CD1-CE1 3.8Å; L249-F310 HydrophobicContact CD1-CZ 3.88Å; L249-F310 HydrophobicContact CD2-CD1 3.82Å; L249-F310 HydrophobicContact CD2-CE1 3.79Å; L249-F310 HydrophobicContact CG-CE1 4.36Å
250R95.7Very high97.4Very high177 Ų17747 Ų4767%0.66826%0.264SS*.Hα-helixtrans-60-50.6176.8-179.9-174.364.5-161.7-2.9111.4S248 A252 L253 C254S248-R250 PolarHBondContact O-N 2.85Å; R250-A252 PolarHBondContact O-N 2.8Å; R250-L253 PolarHBondContact O-N 3.36Å; R250-L253 VanDerWaalsContact O-N 3.13Å; R250-C254 WeakPolarHBondContact O-CB 3.38Å; R250-C254 PolarHBondContact O-N 3.2Å
251D97.8Very high97.4Very high43 Ų4346.4 Ų46.423%0.2326%0.261CS..Hα-helixtrans-66.3-30.9-177.6-56.9-24.9000111.3S248 G255 V256S248-D251 PolarHBondContact O-N 2.8Å; S248-D251 VanDerWaalsContact O-N 3.16Å; S248-D251 PolarHBondContact OG-N 2.83Å; S248-D251 VanDerWaalsContact OG-N 3.14Å; S248-D251 PolarHBondContact OG-OD1 2.76Å; S248-D251 PolarHBondContact OG-OD2 2.79Å; D251-G255 CarbonylContact O-C 3.38Å; D251-G255 VanDerWaalsContact O-CA 3.31Å; D251-G255 WeakPolarHBondContact O-CA 3.41Å; D251-G255 PolarHBondContact O-N 2.86Å; D251-V256 HydrophobicContact CB-CB 3.9Å; D251-V256 HydrophobicContact CB-CG1 3.96Å; D251-V256 HydrophobicContact CB-CG2 4.33Å
252A97.4Very high97.4Very high2 Ų247 Ų472%0.01727%0.265CS..Hα-helixtrans-69.5-30.9174.100000113.5S248 L249 R250 V276 V277 I308S248-A252 WeakPolarHBondContact O-CB 3.46Å; S248-A252 PolarHBondContact O-N 2.86Å; L249-A252 PolarHBondContact O-N 2.99Å; R250-A252 PolarHBondContact O-N 2.8Å; A252-V276 WeakPolarHBondContact O-CA 3.3Å; A252-V277 PolarHBondContact O-N 2.75Å; A252-I308 HydrophobicContact CB-CD1 3.68Å; A252-I308 HydrophobicContact CB-CG1 4.29Å; A252-I308 HydrophobicContact CB-CG2 4Å
253L96.5Very high97.2Very high68 Ų6846.5 Ų46.536%0.35626%0.263SS..Hα-helixtrans-91.5-36.9-179.5-67.8175.5000113.2L249 R250 V276 L326L249-L253 HydrophobicContact CD1-CD1 3.97Å; L249-L253 HydrophobicContact CD1-CG 4.12Å; L249-L253 HydrophobicContact CG-CD1 3.94Å; L249-L253 HydrophobicContact CG-CG 4.45Å; L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 2.82Å; R250-L253 PolarHBondContact O-N 3.36Å; R250-L253 VanDerWaalsContact O-N 3.13Å; L253-V276 HydrophobicContact CD2-CG1 3.93Å; L253-L326 HydrophobicContact CD1-CD2 4.14Å
254C95.9Very high96.9Very high103 Ų10347.8 Ų47.870%0.69627%0.27SS*.Hα-helixtrans-102.1-8.4-172.4-57.70000113.5R250R250-C254 WeakPolarHBondContact O-CB 3.38Å; R250-C254 PolarHBondContact O-N 3.2Å
255G96.3Very high96.4Very high23 Ų2353.2 Ų53.224%0.23729%0.29CS..  trans90.3154.9-179.300000114.5D251 L273D251-G255 CarbonylContact O-C 3.38Å; D251-G255 VanDerWaalsContact O-CA 3.31Å; D251-G255 WeakPolarHBondContact O-CA 3.41Å; D251-G255 PolarHBondContact O-N 2.86Å; G255-L273 CarbonylContact C-O 3.39Å; G255-L273 WeakPolarHBondContact CA-O 3.47Å
256V98Very high96.1Very high39 Ų3957 Ų5724%0.23633%0.33CS..EExtended strand (participates in β ladder)trans-162.3152.5-175.561.90000110.8L247 D251 V258 L273L247-V256 HydrophobicContact CD1-CG1 4.15Å; L247-V256 HydrophobicContact CD2-CG1 3.82Å; D251-V256 HydrophobicContact CB-CB 3.9Å; D251-V256 HydrophobicContact CB-CG1 3.96Å; D251-V256 HydrophobicContact CB-CG2 4.33Å; V256-V258 HydrophobicContact CG1-CG2 4.02Å; V256-V258 HydrophobicContact CG2-CG2 4.36Å; V256-L273 HydrophobicContact CG1-CB 4.4Å; V256-L273 HydrophobicContact CG1-CD1 4.04Å; V256-L273 PolarHBondContact N-O 3.34Å; V256-L273 WeakPolarHBondContact O-CB 3.12Å; V256-L273 PolarHBondContact O-N 2.81Å
257T97.8Very high96Very high84 Ų8457.7 Ų57.752%0.51533%0.325SS..EExtended strand (participates in β ladder)trans-101.8127.5170.3-560000110T270 L271 E272T257-T270 HydrophobicContact CG2-CG2 3.4Å; T257-L271 CarbonylContact C-O 3.56Å; T257-L271 WeakPolarHBondContact CA-O 3.39Å; T257-E272 HydrophobicContact CG2-CG 4.17Å
258V97.2Very high96Very high22 Ų2261 Ų6113%0.13335%0.346CS..EExtended strand (participates in β ladder)trans-123.2135.9-177.2-176.70000110V245 L247 V256 L271 L273V245-V258 HydrophobicContact CG1-CG1 3.87Å; V245-V258 HydrophobicContact CG1-CG2 4.09Å; V245-V258 HydrophobicContact CG2-CG1 4.06Å; L247-V258 HydrophobicContact CD2-CG2 3.99Å; V256-V258 HydrophobicContact CG1-CG2 4.02Å; V256-V258 HydrophobicContact CG2-CG2 4.36Å; V258-L271 PolarHBondContact N-O 2.89Å; V258-L271 PolarHBondContact O-N 3.32Å; V258-L273 HydrophobicContact CG2-CD1 4.31Å
259N97.6Very high96Very high102 Ų10261.4 Ų61.455%0.54534%0.343SS..EExtended strand (participates in β ladder)trans-86.7111.7170-67-24.6000109.5P261N259-P261 WeakPolarHBondContact O-CD 3.47Å
260V98Very high96.1Very high0 Ų063.5 Ų63.50%036%0.358CS..EExtended strand (participates in β ladder)trans-89.4113.6179177.40000108.8Y243 T268 F269 L271 Y285 L302 V304Y243-V260 HydrophobicContact CD1-CG1 3.97Å; Y243-V260 HydrophobicContact CE1-CG1 4.44Å; V260-T268 CarbonylContact O-C 3.58Å; V260-T268 WeakPolarHBondContact O-CA 3.31Å; V260-F269 HydrophobicContact CB-CB 4.32Å; V260-F269 PolarHBondContact N-O 3Å; V260-F269 PolarHBondContact O-N 2.88Å; V260-L271 HydrophobicContact CG2-CB 3.83Å; V260-L271 HydrophobicContact CG2-CD2 3.98Å; V260-Y285 HydrophobicContact CB-CE2 4.45Å; V260-Y285 HydrophobicContact CG1-CE2 4.19Å; V260-Y285 HydrophobicContact CG2-CE2 4.38Å; V260-L302 HydrophobicContact CG1-CD2 3.82Å; V260-V304 HydrophobicContact CG1-CG2 3.58Å; V260-V304 HydrophobicContact CG2-CG1 4.49Å; V260-V304 HydrophobicContact CG2-CG2 4.16Å
261P97.9Very high96.1Very high24 Ų2455.9 Ų55.916%0.15633%0.331CS..EExtended strand (participates in β ladder)trans-72.8158.7176.632.2-33.5000111.4L233 F234 Y243 N259 L302L233-P261 HydrophobicContact CD1-CG 4.17Å; F234-P261 HydrophobicContact CE1-CG 4.15Å; F234-P261 HydrophobicContact CZ-CB 4.04Å; F234-P261 HydrophobicContact CZ-CG 3.89Å; Y243-P261 HydrophobicContact CD2-CG 4.01Å; Y243-P261 VanDerWaalsContact CE1-CD 3.43Å; Y243-P261 HydrophobicContact CE1-CG 4.22Å; Y243-P261 HydrophobicContact CE2-CG 3.62Å; Y243-P261 HydrophobicContact CG-CG 4.49Å; N259-P261 WeakPolarHBondContact O-CD 3.47Å; P261-L302 WeakPolarHBondContact O-CD2 3.46Å
262T96.9Very high96.1Very high12 Ų1259 Ų597%0.07434%0.344CS..  trans-117.5170.4171.772.30000110.5E264 K267 F269 L302T262-E264 PolarHBondContact O-N 3.05Å; T262-E264 PolarHBondContact OG1-N 2.83Å; T262-E264 PolarHBondContact OG1-O 2.81Å; T262-K267 HydrophobicContact CG2-CG 4.28Å; T262-K267 PolarHBondContact N-O 2.96Å; T262-K267 VanDerWaalsContact N-O 3.14Å; T262-K267 WeakPolarHBondContact OG1-CB 3.01Å; T262-K267 PolarHBondContact OG1-O 2.76Å; T262-F269 HydrophobicContact CG2-CD2 3.8Å; T262-F269 HydrophobicContact CG2-CE2 3.46Å; T262-F269 VanDerWaalsContact CG2-CE2 3.46Å; T262-F269 HydrophobicContact CG2-CZ 4.33Å; T262-L302 HydrophobicContact CG2-CD2 4.18Å
263L94.9Very high96.1Very high9 Ų959.6 Ų59.65%0.04735%0.347CS..SBendtrans-67.2-13.6169.7-79177.9000113.1L160 N164 F234 I241 L290L160-L263 HydrophobicContact CB-CD1 4.21Å; L160-L263 HydrophobicContact CB-CD2 3.74Å; L160-L263 HydrophobicContact CD1-CD2 4.39Å; N164-L263 HydrophobicContact CB-CD1 4.41Å; F234-L263 HydrophobicContact CD2-CD2 3.63Å; F234-L263 HydrophobicContact CD2-CG 4.27Å; F234-L263 HydrophobicContact CE2-CD2 3.95Å; F234-L263 HydrophobicContact CE2-CG 4.37Å; I241-L263 HydrophobicContact CD1-CB 4.41Å; I241-L263 HydrophobicContact CD1-CD1 3.72Å; I241-L263 HydrophobicContact CD1-CG 3.62Å; I241-L263 HydrophobicContact CG2-CD1 3.99Å; L263-L290 HydrophobicContact CD1-CD2 3.62Å; L263-L290 HydrophobicContact CD1-CG 4.44Å
264E92.2Very high96Very high64 Ų6463.6 Ų63.630%0.29936%0.361SS..SBendtrans-83.7116.2173.5-70.8169-166.700108.7T262 G266 K267 R299T262-E264 PolarHBondContact O-N 3.05Å; T262-E264 PolarHBondContact OG1-N 2.83Å; T262-E264 PolarHBondContact OG1-O 2.81Å; E264-G266 PolarHBondContact O-N 2.93Å; E264-K267 HydrophobicContact CB-CB 4.08Å; E264-K267 HydrophobicContact CB-CD 4.18Å; E264-K267 PolarHBondContact O-N 3.14Å; E264-K267 VanDerWaalsContact O-N 3.07Å; E264-K267 WeakPolarHBondContact OE2-CD 3.4Å; E264-K267 IonicContact OE2-NZ 2.91Å; E264-K267 PolarHBondContact OE2-NZ 2.76Å; E264-R299 IonicContact OE1-NH1 2.6Å; E264-R299 PolarHBondContact OE1-NH1 2.69Å
265Q87.9Confident96Very high184 Ų18466.2 Ų66.286%0.8636%0.363SS*.THydrogen-bonded Turntrans-53.8129.5-178.9-73.4177.7-8.700111.3K267Q265-K267 VanDerWaalsContact C-N 3.26Å; Q265-K267 PolarHBondContact O-N 3.01Å
266G90.5Very high95.9Very high85 Ų8569 Ų6988%0.87638%0.376SS*.THydrogen-bonded Turntrans81.6-11.1178.900000115.4E264E264-G266 PolarHBondContact O-N 2.93Å
267K95.8Very high95.9Very high78 Ų7867.7 Ų67.734%0.33937%0.367SS..  trans-92.8126.8179.1-177178.9-178.1171.60111.2T262 E264 Q265T262-K267 HydrophobicContact CG2-CG 4.28Å; T262-K267 PolarHBondContact N-O 2.96Å; T262-K267 VanDerWaalsContact N-O 3.14Å; T262-K267 WeakPolarHBondContact OG1-CB 3.01Å; T262-K267 PolarHBondContact OG1-O 2.76Å; E264-K267 HydrophobicContact CB-CB 4.08Å; E264-K267 HydrophobicContact CB-CD 4.18Å; E264-K267 PolarHBondContact O-N 3.14Å; E264-K267 VanDerWaalsContact O-N 3.07Å; E264-K267 WeakPolarHBondContact OE2-CD 3.4Å; E264-K267 IonicContact OE2-NZ 2.91Å; E264-K267 PolarHBondContact OE2-NZ 2.76Å; Q265-K267 VanDerWaalsContact C-N 3.26Å; Q265-K267 PolarHBondContact O-N 3.01Å
268T97.4Very high95.8Very high78 Ų7870 Ų7048%0.47937%0.37SS..EExtended strand (participates in β ladder)trans-135.3156.1179.364.40000110.6V260V260-T268 CarbonylContact O-C 3.58Å; V260-T268 WeakPolarHBondContact O-CA 3.31Å
269F97.7Very high95.6Very high46 Ų4673.3 Ų73.320%0.20239%0.393CS..EExtended strand (participates in β ladder)trans-110.4134.1169.5-63.3-67.5000110.1V260 T262 L271 Y285 H288 L302V260-F269 HydrophobicContact CB-CB 4.32Å; V260-F269 PolarHBondContact N-O 3Å; V260-F269 PolarHBondContact O-N 2.88Å; T262-F269 HydrophobicContact CG2-CD2 3.8Å; T262-F269 HydrophobicContact CG2-CE2 3.46Å; T262-F269 VanDerWaalsContact CG2-CE2 3.46Å; T262-F269 HydrophobicContact CG2-CZ 4.33Å; F269-L271 PolarHBondContact O-N 2.98Å; F269-Y285 HydrophobicContact CB-CD1 4.35Å; F269-Y285 HydrophobicContact CB-CE1 3.66Å; F269-Y285 HydrophobicContact CB-CE2 4.42Å; F269-Y285 HydrophobicContact CD1-CD1 4.19Å; F269-Y285 HydrophobicContact CD1-CE1 4.05Å; F269-Y285 AromaticContact CD2-CD1 3.68Å; F269-Y285 HydrophobicContact CD2-CD1 3.68Å; F269-Y285 HydrophobicContact CD2-CD2 4.27Å; F269-Y285 AromaticContact CD2-CE1 3.88Å; F269-Y285 HydrophobicContact CD2-CE1 3.88Å; F269-Y285 HydrophobicContact CD2-CE2 4.44Å; F269-Y285 AromaticContact CD2-CG 3.88Å; F269-Y285 HydrophobicContact CD2-CG 3.88Å; F269-Y285 HydrophobicContact CE1-CD1 4.44Å; F269-Y285 AromaticContact CE2-CD1 3.95Å; F269-Y285 HydrophobicContact CE2-CD1 3.95Å; F269-Y285 HydrophobicContact CE2-CG 4.08Å; F269-Y285 AromaticContact CG-CD1 3.81Å; F269-Y285 HydrophobicContact CG-CD1 3.81Å; F269-Y285 AromaticContact CG-CE1 3.59Å; F269-Y285 HydrophobicContact CG-CE1 3.59Å; F269-Y285 HydrophobicContact CG-CG 4.44Å; F269-Y285 HydrophobicContact CZ-CD1 4.33Å; F269-H288 AromaticContact CE2-CD2 3.92Å; F269-H288 AromaticContact CE2-CG 3.86Å; F269-H288 AromaticContact CE2-ND1 3.99Å; F269-H288 AromaticContact CZ-CD2 3.7Å; F269-H288 AromaticContact CZ-CE1 3.51Å; F269-H288 AromaticContact CZ-CG 3.93Å; F269-H288 AromaticContact CZ-ND1 3.8Å; F269-H288 AromaticContact CZ-NE2 3.41Å; F269-H288 WeakPolarHBondContact CZ-NE2 3.49Å; F269-L302 HydrophobicContact CD2-CD2 4.49Å
270T97.9Very high95.5Very high91 Ų9173.3 Ų73.356%0.55840%0.4SS*.EExtended strand (participates in β ladder)trans-80.6113169-52.70000108.6T257T257-T270 HydrophobicContact CG2-CG2 3.4Å
271L97.3Very high95.4Very high17 Ų1775.5 Ų75.59%0.08941%0.414CS..EExtended strand (participates in β ladder)trans-103.9111.8176.6178.856.2000109.5T257 V258 V260 F269 L273 V283 Y285 V304 F306T257-L271 CarbonylContact C-O 3.56Å; T257-L271 WeakPolarHBondContact CA-O 3.39Å; V258-L271 PolarHBondContact N-O 2.89Å; V258-L271 PolarHBondContact O-N 3.32Å; V260-L271 HydrophobicContact CG2-CB 3.83Å; V260-L271 HydrophobicContact CG2-CD2 3.98Å; F269-L271 PolarHBondContact O-N 2.98Å; L271-L273 HydrophobicContact CD1-CD2 4.12Å; L271-L273 HydrophobicContact CD2-CD2 4Å; L271-L273 HydrophobicContact CD2-CG 4.4Å; L271-L273 HydrophobicContact CG-CD2 3.88Å; L271-L273 HydrophobicContact CG-CG 4.08Å; L271-V283 HydrophobicContact CD1-CG1 4.02Å; L271-V283 HydrophobicContact CD1-CG2 4.42Å; L271-V283 HydrophobicContact CD2-CB 4.36Å; L271-V283 HydrophobicContact CD2-CG1 4.28Å; L271-V283 HydrophobicContact CD2-CG2 4.29Å; L271-Y285 WeakPolarHBondContact CB-OH 3.33Å; L271-V304 HydrophobicContact CD2-CG1 4.29Å; L271-F306 HydrophobicContact CD2-CE1 4.46Å; L271-F306 HydrophobicContact CD2-CZ 4.12Å
272E97.5Very high95.3Very high108 Ų10879.1 Ų79.151%0.50543%0.431SS..EExtended strand (participates in β ladder)trans-92.3114173.6-64.3-177.3-17600110.1T257 K274T257-E272 HydrophobicContact CG2-CG 4.17Å; E272-K274 WeakPolarHBondContact OE2-CE 3.24Å; E272-K274 IonicContact OE2-NZ 2.8Å; E272-K274 PolarHBondContact OE2-NZ 3.45Å
273L96.4Very high95.4Very high15 Ų1580.1 Ų80.18%0.07944%0.437CS..EExtended strand (participates in β ladder)trans-100.796.9177.1-58.8166.8000107.6L247 G255 V256 V258 L271 V277 F306L247-L273 HydrophobicContact CD1-CD1 3.85Å; G255-L273 CarbonylContact C-O 3.39Å; G255-L273 WeakPolarHBondContact CA-O 3.47Å; V256-L273 HydrophobicContact CG1-CB 4.4Å; V256-L273 HydrophobicContact CG1-CD1 4.04Å; V256-L273 PolarHBondContact N-O 3.34Å; V256-L273 WeakPolarHBondContact O-CB 3.12Å; V256-L273 PolarHBondContact O-N 2.81Å; V258-L273 HydrophobicContact CG2-CD1 4.31Å; L271-L273 HydrophobicContact CD1-CD2 4.12Å; L271-L273 HydrophobicContact CD2-CD2 4Å; L271-L273 HydrophobicContact CD2-CG 4.4Å; L271-L273 HydrophobicContact CG-CD2 3.88Å; L271-L273 HydrophobicContact CG-CG 4.08Å; L273-V277 HydrophobicContact CB-CG2 3.89Å; L273-V277 HydrophobicContact CD1-CG2 4.04Å; L273-V277 HydrophobicContact CD2-CG2 3.98Å; L273-V277 HydrophobicContact CG-CG2 4.17Å; L273-F306 HydrophobicContact CD1-CD1 4.37Å; L273-F306 HydrophobicContact CD1-CE1 3.59Å; L273-F306 HydrophobicContact CD1-CZ 4.16Å; L273-F306 HydrophobicContact CD2-CE1 4.33Å; L273-F306 HydrophobicContact CD2-CZ 4.04Å
274K95.1Very high95.6Very high152 Ų15287.1 Ų87.166%0.66146%0.463SS*.  trans-92.3-33-178.8-64.8178.7-178164.80112.6E272E272-K274 WeakPolarHBondContact OE2-CE 3.24Å; E272-K274 IonicContact OE2-NZ 2.8Å; E272-K274 PolarHBondContact OE2-NZ 3.45Å
275E94.7Very high95.8Very high157 Ų15786 Ų8673%0.73446%0.456SS*.SBendtrans-90.5164.3178.5-58.6-57.8146.400111.4V277E275-V277 PolarHBondContact O-N 3.23Å
276V95.9Very high96.3Very high83 Ų8381.2 Ų81.250%0.50344%0.443SS..PPolyproline II helixtrans-59.1125.5175.9176.60000111.1A252 L253A252-V276 WeakPolarHBondContact O-CA 3.3Å; L253-V276 HydrophobicContact CD2-CG1 3.93Å
277V97.2Very high96.6Very high10 Ų1078.6 Ų78.66%0.06142%0.416CS..PPolyproline II helixtrans-97.4118179.8-177.40000110.3A252 L273 E275 T281 F306A252-V277 PolarHBondContact O-N 2.75Å; L273-V277 HydrophobicContact CB-CG2 3.89Å; L273-V277 HydrophobicContact CD1-CG2 4.04Å; L273-V277 HydrophobicContact CD2-CG2 3.98Å; L273-V277 HydrophobicContact CG-CG2 4.17Å; E275-V277 PolarHBondContact O-N 3.23Å; V277-T281 HydrophobicContact CG1-CG2 4.32Å; V277-F306 HydrophobicContact CG1-CB 3.97Å; V277-F306 HydrophobicContact CG1-CD1 3.86Å; V277-F306 HydrophobicContact CG1-CD2 3.57Å; V277-F306 HydrophobicContact CG1-CE1 4.27Å; V277-F306 HydrophobicContact CG1-CE2 4.01Å; V277-F306 HydrophobicContact CG1-CG 3.5Å; V277-F306 VanDerWaalsContact CG1-CG 3.5Å; V277-F306 HydrophobicContact CG1-CZ 4.33Å
278K95Very high96.6Very high132 Ų13276.9 Ų76.957%0.57441%0.409SS*.PPolyproline II helixtrans-87.6155.2175.7-59.6-178.3180-1770110.1S280 T281K278-S280 PolarHBondContact O-N 3.29Å; K278-S280 VanDerWaalsContact O-N 3.15Å; K278-T281 PolarHBondContact N-OG1 2.89Å; K278-T281 WeakPolarHBondContact O-CB 3.14Å; K278-T281 PolarHBondContact O-N 3.3Å; K278-T281 PolarHBondContact O-OG1 3.39Å
279P93.6Very high96.6Very high93 Ų9373.1 Ų73.160%0.60439%0.387SS*.THydrogen-bonded Turntrans-58-26.1172.6-25.534.5000114.1I308P279-I308 HydrophobicContact CG-CG1 4.07Å
280S95.3Very high96.6Very high101 Ų10171 Ų7171%0.70638%0.377SS*.THydrogen-bonded Turntrans-86.6-7.5175.256.20000114K278K278-S280 PolarHBondContact O-N 3.29Å; K278-S280 VanDerWaalsContact O-N 3.15Å
281T96.3Very high96.6Very high46 Ų4666.9 Ų66.928%0.28235%0.352SS..  trans-62.7141.8177.2-62.50000109.7V277 K278 F306V277-T281 HydrophobicContact CG1-CG2 4.32Å; K278-T281 PolarHBondContact N-OG1 2.89Å; K278-T281 WeakPolarHBondContact O-CB 3.14Å; K278-T281 PolarHBondContact O-N 3.3Å; K278-T281 PolarHBondContact O-OG1 3.39Å; T281-F306 HydrophobicContact CG2-CD2 4.36Å; T281-F306 HydrophobicContact CG2-CE2 4.05Å; T281-F306 WeakPolarHBondContact O-CD2 3.24Å
282L96.7Very high96.6Very high101 Ų10170.8 Ų70.853%0.52937%0.366SS..EExtended strand (participates in β ladder)trans-137.6128.4-177.3-120.3167.4000110I303 V304 T305L282-I303 HydrophobicContact CD1-CG2 4.44Å; L282-I303 HydrophobicContact CD2-CB 4.35Å; L282-I303 HydrophobicContact CD2-CG2 3.22Å; L282-I303 HydrophobicContact CG-CG2 4.42Å; L282-V304 WeakPolarHBondContact CD2-O 3.37Å; L282-T305 HydrophobicContact CD2-CG2 4Å; L282-T305 HydrophobicContact CG-CG2 4.14Å
283V97.9Very high96.3Very high33 Ų3368.2 Ų68.220%0.236%0.359CS..EExtended strand (participates in β ladder)trans-112.5132.7174.1177.30000108.8L271 Y285 V304 F306L271-V283 HydrophobicContact CD1-CG1 4.02Å; L271-V283 HydrophobicContact CD1-CG2 4.42Å; L271-V283 HydrophobicContact CD2-CB 4.36Å; L271-V283 HydrophobicContact CD2-CG1 4.28Å; L271-V283 HydrophobicContact CD2-CG2 4.29Å; V283-Y285 HydrophobicContact CG1-CE2 3.99Å; V283-V304 HydrophobicContact CB-CB 4.18Å; V283-V304 PolarHBondContact N-O 3.16Å; V283-V304 PolarHBondContact O-N 2.73Å; V283-F306 HydrophobicContact CG2-CE2 4.12Å; V283-F306 HydrophobicContact CG2-CZ 4.04Å
284R98.3Very high96.1Very high156 Ų15676.3 Ų76.359%0.58939%0.394SS*.EExtended strand (participates in β ladder)trans-117128.1-174.7177.2-175.2-66.7-122.95.6110.3D301 I303R284-D301 VanDerWaalsContact CD-OD2 3.23Å; R284-D301 WeakPolarHBondContact CD-OD2 3.3Å; R284-D301 HydrophobicContact CG-CB 3.95Å; R284-D301 IonicContact CZ-OD2 3.88Å; R284-D301 IonicContact NE-OD2 3.8Å; R284-D301 IonicContact NH1-OD2 3.37Å; R284-D301 PolarHBondContact NH1-OD2 3.08Å; R284-I303 HydrophobicContact CB-CD1 4.11Å; R284-I303 HydrophobicContact CG-CD1 3.79Å
285Y97.9Very high96Very high39 Ų3974.3 Ų74.315%0.15339%0.386CS..EExtended strand (participates in β ladder)trans-107.2100.3167.8-67.4-84.6000108.9V260 F269 L271 V283 H288 L302 V304V260-Y285 HydrophobicContact CB-CE2 4.45Å; V260-Y285 HydrophobicContact CG1-CE2 4.19Å; V260-Y285 HydrophobicContact CG2-CE2 4.38Å; F269-Y285 HydrophobicContact CB-CD1 4.35Å; F269-Y285 HydrophobicContact CB-CE1 3.66Å; F269-Y285 HydrophobicContact CB-CE2 4.42Å; F269-Y285 HydrophobicContact CD1-CD1 4.19Å; F269-Y285 HydrophobicContact CD1-CE1 4.05Å; F269-Y285 AromaticContact CD2-CD1 3.68Å; F269-Y285 HydrophobicContact CD2-CD1 3.68Å; F269-Y285 HydrophobicContact CD2-CD2 4.27Å; F269-Y285 AromaticContact CD2-CE1 3.88Å; F269-Y285 HydrophobicContact CD2-CE1 3.88Å; F269-Y285 HydrophobicContact CD2-CE2 4.44Å; F269-Y285 AromaticContact CD2-CG 3.88Å; F269-Y285 HydrophobicContact CD2-CG 3.88Å; F269-Y285 HydrophobicContact CE1-CD1 4.44Å; F269-Y285 AromaticContact CE2-CD1 3.95Å; F269-Y285 HydrophobicContact CE2-CD1 3.95Å; F269-Y285 HydrophobicContact CE2-CG 4.08Å; F269-Y285 AromaticContact CG-CD1 3.81Å; F269-Y285 HydrophobicContact CG-CD1 3.81Å; F269-Y285 AromaticContact CG-CE1 3.59Å; F269-Y285 HydrophobicContact CG-CE1 3.59Å; F269-Y285 HydrophobicContact CG-CG 4.44Å; F269-Y285 HydrophobicContact CZ-CD1 4.33Å; L271-Y285 WeakPolarHBondContact CB-OH 3.33Å; V283-Y285 HydrophobicContact CG1-CE2 3.99Å; Y285-H288 PolarHBondContact O-N 3.08Å; Y285-L302 HydrophobicContact CD2-CD2 4.3Å; Y285-L302 HydrophobicContact CD2-CG 4.44Å; Y285-L302 PolarHBondContact N-O 2.72Å; Y285-L302 PolarHBondContact O-N 2.86Å; Y285-V304 HydrophobicContact CD2-CG2 4.01Å; Y285-V304 HydrophobicContact CE2-CG2 3.88Å
286S97.4Very high95.6Very high84 Ų8470.8 Ų70.859%0.58738%0.377SS*.THydrogen-bonded Turntrans-65.3138-172.3-69.40000113.1H288 D301S286-H288 PolarHBondContact O-CD2 2.82Å; S286-H288 PolarHBondContact O-N 3.24Å; S286-D301 WeakPolarHBondContact CA-OD1 3.48Å
287G96.6Very high95.4Very high30 Ų3072.3 Ų72.331%0.30939%0.391SS..THydrogen-bonded Turntrans75.64.5178.100000115.4R299 G300 D301G287-R299 WeakPolarHBondContact O-CD 3.5Å; G287-R299 PolarHBondContact O-NE 3.42Å; G287-G300 CarbonylContact C-O 3.6Å; G287-G300 VanDerWaalsContact C-O 3.24Å; G287-G300 WeakPolarHBondContact CA-O 3.28Å; G287-G300 PolarHBondContact N-O 3.3Å; G287-D301 PolarHBondContact N-OD1 2.94Å
288H96.9Very high95.4Very high42 Ų4278.2 Ų78.219%0.19442%0.416CS..  trans-96.39.4179.5-71.5-71.5000114.5I241 F269 Y285 S286 G300 L302I241-H288 WeakPolarHBondContact CD1-O 3.46Å; F269-H288 AromaticContact CE2-CD2 3.92Å; F269-H288 AromaticContact CE2-CG 3.86Å; F269-H288 AromaticContact CE2-ND1 3.99Å; F269-H288 AromaticContact CZ-CD2 3.7Å; F269-H288 AromaticContact CZ-CE1 3.51Å; F269-H288 AromaticContact CZ-CG 3.93Å; F269-H288 AromaticContact CZ-ND1 3.8Å; F269-H288 AromaticContact CZ-NE2 3.41Å; F269-H288 WeakPolarHBondContact CZ-NE2 3.49Å; Y285-H288 PolarHBondContact O-N 3.08Å; S286-H288 PolarHBondContact O-CD2 2.82Å; S286-H288 PolarHBondContact O-N 3.24Å; H288-G300 PolarHBondContact N-O 2.88Å; H288-L302 HydrophobicContact CB-CB 3.73Å
289G97.5Very high95.5Very high0 Ų075.5 Ų75.50%040%0.403CS..SBendtrans-88.3-157.7171.700000113.7R299 G300G289-R299 PolarHBondContact O-NE 3.5Å; G289-R299 PolarHBondContact O-NH2 3.04Å; G289-G300 WeakPolarHBondContact CA-O 3.41Å; G289-G300 PolarHBondContact N-O 3.47Å
290L97.9Very high95.7Very high0 Ų071.1 Ų71.10%037%0.374CS..PPolyproline II helixtrans-82.7152.5179.8-63.7171.7000111.4L160 I163 N164 R236 S239 I241 L263 R299 G300L160-L290 HydrophobicContact CD2-CD1 4.43Å; I163-L290 HydrophobicContact CG2-CD1 3.92Å; I163-L290 HydrophobicContact CG2-CD2 4.14Å; N164-L290 HydrophobicContact CB-CD2 3.77Å; R236-L290 HydrophobicContact CG-CD1 3.84Å; R236-L290 VanDerWaalsContact NE-CD1 3.31Å; S239-L290 WeakPolarHBondContact O-CB 3.33Å; S239-L290 PolarHBondContact O-N 3.02Å; I241-L290 HydrophobicContact CG2-CD1 4.24Å; I241-L290 HydrophobicContact CG2-CG 3.91Å; L263-L290 HydrophobicContact CD1-CD2 3.62Å; L263-L290 HydrophobicContact CD1-CG 4.44Å; L290-R299 CarbonylContact O-C 3.58Å; L290-R299 WeakPolarHBondContact O-CA 3.49Å; L290-G300 PolarHBondContact O-N 2.93Å
291P97.8Very high95.8Very high6 Ų667.4 Ų67.44%0.03935%0.346CS..EExtended strand (participates in β ladder)trans-66.1150.4174.126.3-32.1000111.6P197 G198 K298P197-P291 HydrophobicContact CB-CB 4.48Å; P197-P291 HydrophobicContact CB-CG 3.69Å; G198-P291 WeakPolarHBondContact CA-O 3.14Å; P291-K298 WeakPolarHBondContact CA-O 3.15Å
292Y96.1Very high95.9Very high98 Ų9865.2 Ų65.238%0.38433%0.333SS..EExtended strand (participates in β ladder)trans-78.1130.7172.2-73.5-87.2000110.6S239 K294 H295 P296 K298 R299S239-Y292 WeakPolarHBondContact OG-CD1 3.44Å; S239-Y292 WeakPolarHBondContact OG-CE1 3.44Å; Y292-K294 VanDerWaalsContact C-N 3.29Å; Y292-K294 PolarHBondContact O-N 2.69Å; Y292-K294 VanDerWaalsContact O-N 3.14Å; Y292-H295 CarbonylContact O-C 3.08Å; Y292-H295 PolarHBondContact O-N 2.9Å; Y292-P296 WeakPolarHBondContact O-CA 3.28Å; Y292-P296 VanDerWaalsContact O-N 3.17Å; Y292-K298 HydrophobicContact CD2-CB 3.68Å; Y292-K298 WeakPolarHBondContact CD2-O 3.29Å; Y292-K298 HydrophobicContact CE2-CB 4.28Å; Y292-K298 PolarHBondContact N-O 3.46Å; Y292-R299 VanDerWaalsContact CE2-C 3.43Å; Y292-R299 WeakPolarHBondContact CE2-O 3.21Å
293P92.3Very high96Very high54 Ų5461.1 Ų61.135%0.35131%0.311SS..THydrogen-bonded Turntrans-55.3-38.7-174.8-14.510.5000115G198 K200G198-P293 VanDerWaalsContact O-CG 3.3Å; G198-P293 WeakPolarHBondContact O-CG 3.46Å; K200-P293 HydrophobicContact CG-CG 4.3Å
294K91.4Very high96.1Very high185 Ų18559.5 Ų59.580%0.80430%0.302SS*.THydrogen-bonded Turntrans-85.2-21-179.2-65.9-173.3176.5-174.50113Y292Y292-K294 VanDerWaalsContact C-N 3.29Å; Y292-K294 PolarHBondContact O-N 2.69Å; Y292-K294 VanDerWaalsContact O-N 3.14Å
295H92.5Very high96.1Very high110 Ų11053.6 Ų53.651%0.50928%0.283SS..EExtended strand (participates in β ladder)trans-138.973.2-175.4-59.5-57.5000109.1Y292 S297 K298Y292-H295 CarbonylContact O-C 3.08Å; Y292-H295 PolarHBondContact O-N 2.9Å; H295-S297 PolarHBondContact O-N 3.41Å; H295-K298 HydrophobicContact CB-CB 4.46Å; H295-K298 HydrophobicContact CB-CD 4.49Å; H295-K298 HydrophobicContact CB-CG 4.46Å; H295-K298 PolarHBondContact O-N 3.37Å
296P87.9Confident96.1Very high84 Ų8452.2 Ų52.255%0.54528%0.278SS..EExtended strand (participates in β ladder)trans-64.4-15.4-171.924.5-34.4000113.8Y292 K298Y292-P296 WeakPolarHBondContact O-CA 3.28Å; Y292-P296 VanDerWaalsContact O-N 3.17Å; P296-K298 VanDerWaalsContact C-N 3.27Å
297S91.8Very high96.1Very high114 Ų11452.1 Ų52.180%0.79727%0.271SS*.EExtended strand (participates in β ladder)trans-71.5-20170.856.80000113.7H295H295-S297 PolarHBondContact O-N 3.41Å
298K96.2Very high96.1Very high134 Ų13451.5 Ų51.558%0.58326%0.26SS*.EExtended strand (participates in β ladder)trans-97147.2173.4-64.6-173.2179.1-177.10109.4P291 Y292 H295 P296P291-K298 WeakPolarHBondContact CA-O 3.15Å; Y292-K298 HydrophobicContact CD2-CB 3.68Å; Y292-K298 WeakPolarHBondContact CD2-O 3.29Å; Y292-K298 HydrophobicContact CE2-CB 4.28Å; Y292-K298 PolarHBondContact N-O 3.46Å; H295-K298 HydrophobicContact CB-CB 4.46Å; H295-K298 HydrophobicContact CB-CD 4.49Å; H295-K298 HydrophobicContact CB-CG 4.46Å; H295-K298 PolarHBondContact O-N 3.37Å; P296-K298 VanDerWaalsContact C-N 3.27Å
299R97.3Very high96.2Very high76 Ų7655.4 Ų55.429%0.28728%0.276SS..EExtended strand (participates in β ladder)trans-129.9149.4178.6-57.7-176.569.8160.9-3.4110.1N164 E264 G287 G289 L290 Y292N164-R299 PolarHBondContact OD1-NH2 2.84Å; E264-R299 IonicContact OE1-NH1 2.6Å; E264-R299 PolarHBondContact OE1-NH1 2.69Å; G287-R299 WeakPolarHBondContact O-CD 3.5Å; G287-R299 PolarHBondContact O-NE 3.42Å; G289-R299 PolarHBondContact O-NE 3.5Å; G289-R299 PolarHBondContact O-NH2 3.04Å; L290-R299 CarbonylContact O-C 3.58Å; L290-R299 WeakPolarHBondContact O-CA 3.49Å; Y292-R299 VanDerWaalsContact CE2-C 3.43Å; Y292-R299 WeakPolarHBondContact CE2-O 3.21Å
300G97.7Very high96.1Very high1 Ų162.2 Ų62.21%0.0131%0.306CS..  trans-69.4-167.7162.400000111D240 G287 H288 G289 L290D240-G300 WeakPolarHBondContact OD1-CA 3.44Å; G287-G300 CarbonylContact C-O 3.6Å; G287-G300 VanDerWaalsContact C-O 3.24Å; G287-G300 WeakPolarHBondContact CA-O 3.28Å; G287-G300 PolarHBondContact N-O 3.3Å; H288-G300 PolarHBondContact N-O 2.88Å; G289-G300 WeakPolarHBondContact CA-O 3.41Å; G289-G300 PolarHBondContact N-O 3.47Å; L290-G300 PolarHBondContact O-N 2.93Å
301D98.4Very high96Very high22 Ų2265.4 Ų65.412%0.11833%0.327CS..  trans-114.3158.3-172-61.1-23.4000111.7D240 I241 R284 S286 G287 I303D240-D301 VanDerWaalsContact CA-O 3.3Å; D240-D301 WeakPolarHBondContact CA-O 3.19Å; D240-D301 WeakPolarHBondContact CB-O 3.35Å; D240-D301 PolarHBondContact OD1-N 2.82Å; I241-D301 PolarHBondContact N-O 3.28Å; R284-D301 VanDerWaalsContact CD-OD2 3.23Å; R284-D301 WeakPolarHBondContact CD-OD2 3.3Å; R284-D301 HydrophobicContact CG-CB 3.95Å; R284-D301 IonicContact CZ-OD2 3.88Å; R284-D301 IonicContact NE-OD2 3.8Å; R284-D301 IonicContact NH1-OD2 3.37Å; R284-D301 PolarHBondContact NH1-OD2 3.08Å; S286-D301 WeakPolarHBondContact CA-OD1 3.48Å; G287-D301 PolarHBondContact N-OD1 2.94Å; D301-I303 HydrophobicContact CB-CD1 3.82Å; D301-I303 HydrophobicContact CB-CG1 4.34Å
302L98.5Very high95.9Very high0 Ų071.5 Ų71.50%037%0.37CS..EExtended strand (participates in β ladder)trans-90.8123.6163.1166.865000108.3F234 I241 V260 P261 T262 F269 Y285 H288 V304F234-L302 HydrophobicContact CD1-CD1 4.47Å; F234-L302 HydrophobicContact CE1-CD1 4.21Å; I241-L302 HydrophobicContact CD1-CB 4.35Å; I241-L302 HydrophobicContact CD1-CD1 3.98Å; I241-L302 HydrophobicContact CG1-CB 4.09Å; I241-L302 HydrophobicContact CG1-CD1 3.74Å; I241-L302 WeakPolarHBondContact O-CA 3.12Å; V260-L302 HydrophobicContact CG1-CD2 3.82Å; P261-L302 WeakPolarHBondContact O-CD2 3.46Å; T262-L302 HydrophobicContact CG2-CD2 4.18Å; F269-L302 HydrophobicContact CD2-CD2 4.49Å; Y285-L302 HydrophobicContact CD2-CD2 4.3Å; Y285-L302 HydrophobicContact CD2-CG 4.44Å; Y285-L302 PolarHBondContact N-O 2.72Å; Y285-L302 PolarHBondContact O-N 2.86Å; H288-L302 HydrophobicContact CB-CB 3.73Å; L302-V304 HydrophobicContact CG-CG2 4.48Å
303I98.6Very high95.9Very high15 Ų1570.5 Ų70.58%0.07738%0.382CS..EExtended strand (participates in β ladder)trans-115107.2-169-63.4-55.4000107.6D240 I241 I242 Y243 L282 R284 D301 T305D240-I303 HydrophobicContact CB-CG1 4Å; I241-I303 WeakPolarHBondContact O-CB 3.23Å; I241-I303 PolarHBondContact O-N 2.65Å; I242-I303 CarbonylContact C-O 3.6Å; I242-I303 VanDerWaalsContact CA-O 3.24Å; I242-I303 WeakPolarHBondContact CA-O 3.24Å; I242-I303 HydrophobicContact CG1-CB 4.16Å; I242-I303 HydrophobicContact CG1-CG2 4.09Å; Y243-I303 PolarHBondContact N-O 3.4Å; L282-I303 HydrophobicContact CD1-CG2 4.44Å; L282-I303 HydrophobicContact CD2-CB 4.35Å; L282-I303 HydrophobicContact CD2-CG2 3.22Å; L282-I303 HydrophobicContact CG-CG2 4.42Å; R284-I303 HydrophobicContact CB-CD1 4.11Å; R284-I303 HydrophobicContact CG-CD1 3.79Å; D301-I303 HydrophobicContact CB-CD1 3.82Å; D301-I303 HydrophobicContact CB-CG1 4.34Å; I303-T305 HydrophobicContact CG2-CG2 4.45Å
304V98.5Very high96Very high0 Ų070.9 Ų70.90%038%0.381CS..EExtended strand (participates in β ladder)trans-93.8118.6-178.8-176.10000109.8Y243 V245 V260 L271 L282 V283 Y285 L302 F306Y243-V304 HydrophobicContact CD1-CG1 4.36Å; Y243-V304 WeakPolarHBondContact O-CA 3.33Å; V245-V304 HydrophobicContact CG2-CG1 3.58Å; V260-V304 HydrophobicContact CG1-CG2 3.58Å; V260-V304 HydrophobicContact CG2-CG1 4.49Å; V260-V304 HydrophobicContact CG2-CG2 4.16Å; L271-V304 HydrophobicContact CD2-CG1 4.29Å; L282-V304 WeakPolarHBondContact CD2-O 3.37Å; V283-V304 HydrophobicContact CB-CB 4.18Å; V283-V304 PolarHBondContact N-O 3.16Å; V283-V304 PolarHBondContact O-N 2.73Å; Y285-V304 HydrophobicContact CD2-CG2 4.01Å; Y285-V304 HydrophobicContact CE2-CG2 3.88Å; L302-V304 HydrophobicContact CG-CG2 4.48Å; V304-F306 HydrophobicContact CG1-CE1 4.16Å; V304-F306 HydrophobicContact CG1-CZ 3.94Å
305T98.3Very high96.3Very high32 Ų3265.7 Ų65.720%0.19637%0.366CS..EExtended strand (participates in β ladder)trans-112.5162.317856.20000109.9I242 Y243 T244 V245 L282 I303I242-T305 HydrophobicContact CG2-CG2 3.85Å; Y243-T305 PolarHBondContact O-N 2.6Å; Y243-T305 PolarHBondContact O-OG1 3.15Å; T244-T305 CarbonylContact C-O 3.56Å; T244-T305 WeakPolarHBondContact CA-O 3.46Å; T244-T305 WeakPolarHBondContact CA-OG1 3.33Å; T244-T305 PolarHBondContact OG1-OG1 2.88Å; V245-T305 PolarHBondContact N-O 3.17Å; L282-T305 HydrophobicContact CD2-CG2 4Å; L282-T305 HydrophobicContact CG-CG2 4.14Å; I303-T305 HydrophobicContact CG2-CG2 4.45Å
306F98.1Very high96.5Very high10 Ų1065.1 Ų65.14%0.04437%0.372CS..EExtended strand (participates in β ladder)trans-124.5130.5-174.3-56.7-84.2000111.6V245 L247 L271 L273 V277 T281 V283 V304 I308V245-F306 HydrophobicContact CB-CD1 3.84Å; V245-F306 HydrophobicContact CB-CE1 4.07Å; V245-F306 HydrophobicContact CG1-CD1 4.28Å; V245-F306 HydrophobicContact CG1-CE1 4.47Å; V245-F306 HydrophobicContact CG2-CD1 4.5Å; V245-F306 HydrophobicContact CG2-CE1 4.27Å; V245-F306 WeakPolarHBondContact O-CA 3.27Å; L247-F306 HydrophobicContact CD1-CD1 3.79Å; L247-F306 HydrophobicContact CD1-CE1 4.32Å; L247-F306 HydrophobicContact CG-CD1 4.35Å; L271-F306 HydrophobicContact CD2-CE1 4.46Å; L271-F306 HydrophobicContact CD2-CZ 4.12Å; L273-F306 HydrophobicContact CD1-CD1 4.37Å; L273-F306 HydrophobicContact CD1-CE1 3.59Å; L273-F306 HydrophobicContact CD1-CZ 4.16Å; L273-F306 HydrophobicContact CD2-CE1 4.33Å; L273-F306 HydrophobicContact CD2-CZ 4.04Å; V277-F306 HydrophobicContact CG1-CB 3.97Å; V277-F306 HydrophobicContact CG1-CD1 3.86Å; V277-F306 HydrophobicContact CG1-CD2 3.57Å; V277-F306 HydrophobicContact CG1-CE1 4.27Å; V277-F306 HydrophobicContact CG1-CE2 4.01Å; V277-F306 HydrophobicContact CG1-CG 3.5Å; V277-F306 VanDerWaalsContact CG1-CG 3.5Å; V277-F306 HydrophobicContact CG1-CZ 4.33Å; T281-F306 HydrophobicContact CG2-CD2 4.36Å; T281-F306 HydrophobicContact CG2-CE2 4.05Å; T281-F306 WeakPolarHBondContact O-CD2 3.24Å; V283-F306 HydrophobicContact CG2-CE2 4.12Å; V283-F306 HydrophobicContact CG2-CZ 4.04Å; V304-F306 HydrophobicContact CG1-CE1 4.16Å; V304-F306 HydrophobicContact CG1-CZ 3.94Å; F306-I308 HydrophobicContact CB-CD1 4.03Å
307N97.7Very high97Very high82 Ų8265.3 Ų65.344%0.43937%0.373SS..EExtended strand (participates in β ladder)trans-107.7110.9167.9179.522.4000108.7T244 V245 S246 L247T244-N307 HydrophobicContact CG2-CB 3.86Å; V245-N307 PolarHBondContact O-N 3.41Å; S246-N307 WeakPolarHBondContact CA-O 3.48Å; L247-N307 PolarHBondContact N-O 2.81Å
308I97.8Very high97.2Very high17 Ų1762.7 Ų62.79%0.08735%0.352CS..EExtended strand (participates in β ladder)trans-90114.9-177.7-49.5-48.8000109.4L247 L249 A252 P279 F306 F310L247-I308 HydrophobicContact CB-CD1 4.02Å; L247-I308 HydrophobicContact CD1-CD1 4.41Å; L249-I308 HydrophobicContact CB-CG2 4.3Å; L249-I308 HydrophobicContact CD1-CG2 4.07Å; A252-I308 HydrophobicContact CB-CD1 3.68Å; A252-I308 HydrophobicContact CB-CG1 4.29Å; A252-I308 HydrophobicContact CB-CG2 4Å; P279-I308 HydrophobicContact CG-CG1 4.07Å; F306-I308 HydrophobicContact CB-CD1 4.03Å; I308-F310 HydrophobicContact CB-CE2 4.26Å; I308-F310 HydrophobicContact CG2-CD2 4.41Å; I308-F310 HydrophobicContact CG2-CE2 4.02Å; I308-F310 WeakPolarHBondContact O-CD2 3.4Å; I308-F310 PolarHBondContact O-N 3.29Å
309K97.6Very high97.2Very high123 Ų12361.6 Ų61.654%0.53535%0.348SS..EExtended strand (participates in β ladder)trans-84.2108.9178.2-66.8-179.3175.9174.70109.8L247 L249L247-K309 WeakPolarHBondContact O-CB 3.43Å; L247-K309 PolarHBondContact O-N 2.8Å; L249-K309 PolarHBondContact N-O 3.15Å; L249-K309 VanDerWaalsContact N-O 3.14Å
310F96.6Very high97.1Very high143 Ų14362.1 Ų62.163%0.62735%0.353SS*.  trans-78.1146.4170.8-75.5-101.4000110.8L249 I308L249-F310 HydrophobicContact CD1-CD1 4.42Å; L249-F310 HydrophobicContact CD1-CE1 3.8Å; L249-F310 HydrophobicContact CD1-CZ 3.88Å; L249-F310 HydrophobicContact CD2-CD1 3.82Å; L249-F310 HydrophobicContact CD2-CE1 3.79Å; L249-F310 HydrophobicContact CG-CE1 4.36Å; I308-F310 HydrophobicContact CB-CE2 4.26Å; I308-F310 HydrophobicContact CG2-CD2 4.41Å; I308-F310 HydrophobicContact CG2-CE2 4.02Å; I308-F310 WeakPolarHBondContact O-CD2 3.4Å; I308-F310 PolarHBondContact O-N 3.29Å
311P95.6Very high97Very high67 Ų6767.1 Ų67.144%0.43538%0.379SS..  trans-64.2142.317128.3-33.5000110.2A313 L314P311-A313 VanDerWaalsContact C-N 3.32Å; P311-A313 PolarHBondContact O-N 2.77Å; P311-L314 HydrophobicContact CB-CD2 4.08Å; P311-L314 HydrophobicContact CB-CG 4.38Å; P311-L314 HydrophobicContact CG-CD1 4.09Å; P311-L314 HydrophobicContact CG-CD2 3.81Å; P311-L314 HydrophobicContact CG-CG 3.89Å
312S96Very high96.9Very high134 Ų13469 Ų6994%0.93739%0.389SS*.SBendtrans-69.7-29.3178.952.60000113.1
313A95.7Very high96.6Very high78 Ų7876.9 Ų76.965%0.64542%0.418SS*.  trans-152156175.600000110.3P311P311-A313 VanDerWaalsContact C-N 3.32Å; P311-A313 PolarHBondContact O-N 2.77Å
314L94.9Very high96.5Very high61 Ų6182.8 Ų82.832%0.31945%0.45SS..  trans-132.7132.9174.1-70.3173.2000109.7P311 V318 K319 L322P311-L314 HydrophobicContact CB-CD2 4.08Å; P311-L314 HydrophobicContact CB-CG 4.38Å; P311-L314 HydrophobicContact CG-CD1 4.09Å; P311-L314 HydrophobicContact CG-CD2 3.81Å; P311-L314 HydrophobicContact CG-CG 3.89Å; L314-V318 HydrophobicContact CD2-CG1 4.2Å; L314-K319 HydrophobicContact CB-CG 3.94Å; L314-K319 VanDerWaalsContact O-CE 3.27Å; L314-K319 WeakPolarHBondContact O-CE 3.44Å; L314-L322 HydrophobicContact CD1-CD1 3.65Å
315P96.7Very high96.3Very high77 Ų7787.6 Ų87.650%0.548%0.48SS..  trans-60.3148.1173.9-23.233.7000112.1P317 V318 K319P315-P317 VanDerWaalsContact C-CD 3.5Å; P315-V318 HydrophobicContact CB-CG2 4.29Å; P315-V318 HydrophobicContact CG-CG2 4.29Å; P315-V318 WeakPolarHBondContact O-CB 3.46Å; P315-V318 PolarHBondContact O-N 2.87Å; P315-K319 PolarHBondContact O-N 3.46Å
316P97.5Very high96Very high97 Ų9789.8 Ų89.863%0.6349%0.49SS*.Hα-helixtrans-52-44.3180-24.232.1000114.8V318 K319 E320P316-V318 VanDerWaalsContact C-N 3.27Å; P316-V318 PolarHBondContact O-N 3.38Å; P316-K319 WeakPolarHBondContact O-CB 3.25Å; P316-K319 PolarHBondContact O-N 3.48Å; P316-E320 PolarHBondContact O-N 3.14Å; P316-E320 VanDerWaalsContact O-N 3.14Å
317P96.9Very high95.7Very high88 Ų8893.9 Ų93.957%0.57152%0.517SS*.Hα-helixtrans-60.7-34.9178.5-24.234.8000113.6P315 E320 I321P315-P317 VanDerWaalsContact C-CD 3.5Å; P317-E320 PolarHBondContact O-N 3.42Å; P317-I321 WeakPolarHBondContact O-CG1 3.32Å; P317-I321 PolarHBondContact O-N 3.37Å
318V96.1Very high95Very high59 Ų5997 Ų9736%0.35854%0.538SS..Hα-helixtrans-69.9-36.7177.41800000110.6L314 P315 P316 I321 L322L314-V318 HydrophobicContact CD2-CG1 4.2Å; P315-V318 HydrophobicContact CB-CG2 4.29Å; P315-V318 HydrophobicContact CG-CG2 4.29Å; P315-V318 WeakPolarHBondContact O-CB 3.46Å; P315-V318 PolarHBondContact O-N 2.87Å; P316-V318 VanDerWaalsContact C-N 3.27Å; P316-V318 PolarHBondContact O-N 3.38Å; V318-I321 PolarHBondContact O-N 3.07Å; V318-L322 HydrophobicContact CG1-CD1 4.1Å; V318-L322 HydrophobicContact CG1-CG 4.36Å; V318-L322 VanDerWaalsContact O-CG 3.28Å; V318-L322 WeakPolarHBondContact O-CG 3.38Å; V318-L322 PolarHBondContact O-N 3.01Å
319K96.2Very high93.7Very high112 Ų112106.5 Ų106.549%0.48759%0.59SS.*Hα-helixtrans-64.6-38.5176.4-67.8-178.2176.6178.60112.4L314 P315 P316 L322 R323L314-K319 HydrophobicContact CB-CG 3.94Å; L314-K319 VanDerWaalsContact O-CE 3.27Å; L314-K319 WeakPolarHBondContact O-CE 3.44Å; P315-K319 PolarHBondContact O-N 3.46Å; P316-K319 WeakPolarHBondContact O-CB 3.25Å; P316-K319 PolarHBondContact O-N 3.48Å; K319-L322 PolarHBondContact O-N 3.36Å; K319-R323 WeakPolarHBondContact O-CB 3.28Å; K319-R323 PolarHBondContact O-N 3.11Å
320E96.2Very high93.5Very high87 Ų87105.7 Ų105.741%0.40759%0.592SS.*Hα-helixtrans-63.3-47.3175.4-62-52.7122.600111P316 P317 L322 R323 D324P316-E320 PolarHBondContact O-N 3.14Å; P316-E320 VanDerWaalsContact O-N 3.14Å; P317-E320 PolarHBondContact O-N 3.42Å; E320-L322 VanDerWaalsContact C-N 3.31Å; E320-L322 PolarHBondContact O-N 3.14Å; E320-R323 WeakPolarHBondContact O-CB 3.45Å; E320-R323 PolarHBondContact O-N 3.3Å; E320-R323 VanDerWaalsContact O-N 3.1Å; E320-R323 IonicContact OE1-CZ 3.24Å; E320-R323 VanDerWaalsContact OE1-CZ 3.24Å; E320-R323 IonicContact OE1-NH1 3.22Å; E320-R323 PolarHBondContact OE1-NH1 3.16Å; E320-R323 IonicContact OE1-NH2 2.73Å; E320-R323 PolarHBondContact OE1-NH2 2.72Å; E320-R323 IonicContact OE2-CZ 3.37Å; E320-R323 IonicContact OE2-NH1 2.73Å; E320-R323 PolarHBondContact OE2-NH1 2.92Å; E320-R323 IonicContact OE2-NH2 3.69Å; E320-D324 PolarHBondContact O-N 2.94Å; E320-D324 VanDerWaalsContact O-N 3.11Å
321I96.1Very high93.4Very high106 Ų106103.7 Ų103.754%0.54459%0.59SS.*Hα-helixtrans-58-44.2175.6-63.5166.2000111.2P317 V318 R323 D324 T325P317-I321 WeakPolarHBondContact O-CG1 3.32Å; P317-I321 PolarHBondContact O-N 3.37Å; V318-I321 PolarHBondContact O-N 3.07Å; I321-R323 VanDerWaalsContact C-N 3.32Å; I321-R323 PolarHBondContact O-N 2.97Å; I321-D324 PolarHBondContact O-N 3.47Å; I321-T325 WeakPolarHBondContact O-CB 3.08Å; I321-T325 PolarHBondContact O-N 2.89Å; I321-T325 PolarHBondContact O-OG1 2.88Å
322L94.4Very high93.3Very high62 Ų62105.7 Ų105.733%0.32560%0.599SS.*Hα-helixtrans-65.7-35.1178.6-70.6174.3000112.4L314 V318 K319 E320 D324 T325 L326L314-L322 HydrophobicContact CD1-CD1 3.65Å; V318-L322 HydrophobicContact CG1-CD1 4.1Å; V318-L322 HydrophobicContact CG1-CG 4.36Å; V318-L322 VanDerWaalsContact O-CG 3.28Å; V318-L322 WeakPolarHBondContact O-CG 3.38Å; V318-L322 PolarHBondContact O-N 3.01Å; K319-L322 PolarHBondContact O-N 3.36Å; E320-L322 VanDerWaalsContact C-N 3.31Å; E320-L322 PolarHBondContact O-N 3.14Å; L322-D324 VanDerWaalsContact C-N 3.28Å; L322-D324 PolarHBondContact O-N 2.78Å; L322-T325 PolarHBondContact O-N 2.88Å; L322-L326 HydrophobicContact CB-CD1 4.26Å; L322-L326 HydrophobicContact CD2-CD1 4.19Å; L322-L326 HydrophobicContact CD2-CG 4.37Å; L322-L326 WeakPolarHBondContact O-CB 3.49Å; L322-L326 WeakPolarHBondContact O-CG 3.26Å; L322-L326 PolarHBondContact O-N 3.4Å
323R94Very high93.1Very high165 Ų165104.1 Ų104.162%0.62358%0.579SS**Hα-helixtrans-63.5-36.8175.6-168-174-61148.38.3111.6K319 E320 I321K319-R323 WeakPolarHBondContact O-CB 3.28Å; K319-R323 PolarHBondContact O-N 3.11Å; E320-R323 WeakPolarHBondContact O-CB 3.45Å; E320-R323 PolarHBondContact O-N 3.3Å; E320-R323 VanDerWaalsContact O-N 3.1Å; E320-R323 IonicContact OE1-CZ 3.24Å; E320-R323 VanDerWaalsContact OE1-CZ 3.24Å; E320-R323 IonicContact OE1-NH1 3.22Å; E320-R323 PolarHBondContact OE1-NH1 3.16Å; E320-R323 IonicContact OE1-NH2 2.73Å; E320-R323 PolarHBondContact OE1-NH2 2.72Å; E320-R323 IonicContact OE2-CZ 3.37Å; E320-R323 IonicContact OE2-NH1 2.73Å; E320-R323 PolarHBondContact OE2-NH1 2.92Å; E320-R323 IonicContact OE2-NH2 3.69Å; I321-R323 VanDerWaalsContact C-N 3.32Å; I321-R323 PolarHBondContact O-N 2.97Å
324D95.1Very high92.9Very high139 Ų139105.7 Ų105.774%0.74358%0.575SS**Hα-helixtrans-79.6-21.8178.8-64.8-17.9000113E320 I321 L322E320-D324 PolarHBondContact O-N 2.94Å; E320-D324 VanDerWaalsContact O-N 3.11Å; I321-D324 PolarHBondContact O-N 3.47Å; L322-D324 VanDerWaalsContact C-N 3.28Å; L322-D324 PolarHBondContact O-N 2.78Å
325T94.9Very high92.8Very high101 Ų101108.7 Ų108.762%0.6259%0.592SS**Hα-helixtrans-103-35.3-172.1-48.20000113.8I321 L322I321-T325 WeakPolarHBondContact O-CB 3.08Å; I321-T325 PolarHBondContact O-N 2.89Å; I321-T325 PolarHBondContact O-OG1 2.88Å; L322-T325 PolarHBondContact O-N 2.88Å
326L92.6Very high92.5Very high78 Ų78110.9 Ų110.941%0.40860%0.599SS.*SBendtrans-85.5139-174.6-67178.5000111.9L253 L322L253-L326 HydrophobicContact CD1-CD2 4.14Å; L322-L326 HydrophobicContact CB-CD1 4.26Å; L322-L326 HydrophobicContact CD2-CD1 4.19Å; L322-L326 HydrophobicContact CD2-CG 4.37Å; L322-L326 WeakPolarHBondContact O-CB 3.49Å; L322-L326 WeakPolarHBondContact O-CG 3.26Å; L322-L326 PolarHBondContact O-N 3.4Å
327P90.1Very high92.1Very high96 Ų96112 Ų11262%0.62360%0.596SS**  trans-68.9154.9173.830.2-34.3000111.5
328V84.2Confident91.8Very high146 Ų146114 Ų11489%0.88560%0.598SS**  trans-93.70.8-174.3-175.70000113.1
329D71Confident91.4Very high217 Ų217119 Ų119100%1.1662%0.62SS**  trans-19.80-171.6-67.9-7.5000118.2

Retrieved 329 of 329 residues in 201 ms (Link to these results)

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